0 B12R1.118 C#CC(CO)Cc1ccccc1 Amb25105982 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.118 CCC(C#C)Nc1ccccc1 Amb25689867 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.118 CCC(C#N)Nc1ccccc1 Amb18289853 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.118 CCC(C#N)Oc1ccccc1 Amb18797968 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.118 CCC(CC)Oc1cccc[n]1 Amb24100574 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.118 CCC(CN)Oc1ccccc1 Amb18311092 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.118 CCC(CO)Oc1ccccc1 Amb23538023 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.118 CCC(Cc1c[n]ccc1)CC Amb24090136 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.118 CCC(Cc1ccccc1)CN Amb10778756 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.118 CCC(Cc1ccccc1)NC Amb18792514 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.118 CCC(Nc1ccccc1)CO Amb13952611 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.118 CCC(Sc1ccccc1)C#N Amb10565503 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.118 CCN(Cc1ccccc1)C#N Amb24700837 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.118 CCN(Cc1ccccc1)C=O Amb25034769 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.118 CCN(Cc1ccccc1)CC Amb22348278 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.118 CCN(Cc1ccccc1)N=O Amb24376725 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.118 CCN(Cc1ccccn1)CC Amb1822467 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.118 CC\C(\Cc1ccccc1)=N\N Amb25057429 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.118 CNC(Cc1c[n]ccc1)C#C Amb25692745 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.118 CNC(Cc1cc[n]cc1)C#C Amb25698692 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.118 CNC(Cc1ccccc1)C#C Amb25797878 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.118 CN[C@@H](CO)Cc1ccccc1 Amb22745072 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.118 CN\C(=N\C)\Sc1ccccc1 Amb24451577 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.118 CN\C(\Cc1ccccc1)=N/N Amb18788196 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.118 CN\C(\Cc1ccccc1)=N\O Amb25376955 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.118 COC(CN)Cc1ccccc1 Amb21954040 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.118 COC(CN)Oc1ccccc1 Amb24061283 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.118 COC(Cc1ccccc1)C#N Amb25681947 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.118 COC(OC)Sc1ccccc1 Amb22347498 [0,0,0,0,0,0|1,0,0]=1 29 B12R1.118 CO[SiH](Cc1ccccc1)C=C Amb22231750 [0,0,0,0,0,0|1,1,1]=3 30 B12R1.118 CO\C(=C\c1ccccc1)\C=O Amb17594035 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.118 CSC(Cc1ccccc1)C#N Amb17594511 [0,0,0,0,0,0|2,1,0]=3 32 B12R1.118 C\C=C(/Cc1ccccc1)\C=O Amb18645376 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.118 C\C=C(\Cc1ccccc1)/C=O Amb25743406 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.118 C\N=C(\Cc1ccc[n]c1)/NC Amb24062496 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.118 N#CC(CBr)Cc1ccccc1 Amb25821723 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.118 N#CC(CCl)Cc1ccccc1 Amb24753458 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.118 N#CC(CO)Cc1ccccc1 Amb18110109 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.118 N#CC(Cc1ccccc1)C#N Amb10574574 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.118 N#CC(Cc1ccccc1)C=O Amb22371309 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.118 NCC(CO)Cc1ccccc1 Amb22899484 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.118 NCC(Cc1ccccc1)C#N Amb18908588 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.40 BrC(Cc1ccccc1)C#N Amb1154191 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.40 BrCC(Cc1ccccc1)O Amb17595843 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.40 BrCC(Oc1ccccc1)C Amb17241866 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.40 C#CC(Cl)Cc1ccccc1 Amb24398624 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.40 C#CC(N)Cc1ccccc1 Amb24699229 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.40 C#CC(O)Cc1c[n]ccc1 Amb24704924 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.40 C#CC(O)Nc1ccccc1 Amb24561876 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.40 C#C[C@@H](O)Cc1ccccc1 Amb25056589 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.40 C=CC(N)Cc1ccccc1 Amb25064298 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.40 C=CC(O)Cc1c[n]ccc1 Amb25097959 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 C=CC(O)Cc1cccc[n]1 Amb25241001 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.40 C=CC(O)Cc1ccccc1 Amb24664362 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.40 C=C[C@H](Cc1ccccc1)N Amb10982592 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.40 C=C[C@H](N)Cc1ccccc1 Amb19929662 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.40 C=C[C@H](O)Cc1cccc[n]1 Amb25806691 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.40 CC(=NC)Oc1ccccc1 Amb24066830 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.40 CC(C#N)Sc1ccccc1 Amb18800724 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.40 CC(C=C)Nc1ccccc1 Amb24122661 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.40 CC(C=C)Oc1ccccc1 Amb25151239 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.40 CC(C=C)Sc1ccccc1 Amb25787941 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.40 CC(C=O)Oc1ccccc1 Amb22011729 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.40 CC(C=O)Sc1ccccc1 Amb18646621 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.40 CC(CBr)Cc1c[n]ccc1 Amb25345425 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.40 CC(CBr)Cc1ccccc1 Amb25151397 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.40 CC(CCl)Sc1ccccc1 Amb25772834 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.40 CC(CN)Cc1ccccc1 Amb18010535 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.40 CC(CN)Nc1ccccc1 Amb18644448 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.40 CC(CO)Cc1cc[n]cc1 Amb25374015 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.40 CC(CO)Nc1ccccc1 Amb18971804 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.40 CC(CO)Sc1ccccc1 Amb23449852 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.40 CC(Cc1c[n]ccc1)NN Amb25341062 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.40 CC(Cc1ccccc1)=[N+]=[N-] Amb25173943 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.40 CC(Cc1ccccc1)C#N Amb24402121 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.40 CC(Cc1ccccc1)C=C Amb25850978 [1,0,0,0,0,0|1,0,1]=3 76 B11R1.40 CC(Cc1ccccc1)NN Amb22487303 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.40 CC(Cc1ccccc1)[Mg]Br Amb22897350 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.40 CC(Cc1ccccc1)[Zn]Br Amb22897866 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.40 CC(NC)Cc1cnccn1 Amb1995173 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.40 CC(Nc1ccccc1)C#N Amb17399903 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.40 CCC(Br)Cc1cc[n]cc1 Amb24353281 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.40 CCC(Br)Cc1ccccc1 Amb25189250 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.40 CCC(C)Cc1c[n]ccc1 Amb24085206 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.40 CCC(C)Cc1cccc[n]1 Amb24089681 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.40 CCC(C)Oc1ccccc1 Amb24350256 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.40 CCC(C)Sc1cccc[n]1 Amb25822094 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.40 CCC(C)Sc1ccccc1 Amb25698974 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.40 CCC(Cc1ccccn1)Cl Amb17477711 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.40 CCC(Cc1ccccn1)O Amb17477703 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.40 CCC(Cc1cccnc1)Cl Amb17477713 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.40 CCC(Cc1cccnc1)O Amb17477705 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.40 CCC(Cc1ccncc1)Cl Amb17477712 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.40 CCC(Cc1ccncc1)O Amb17477704 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.40 CCC(Cl)Cc1ccccc1 Amb18177890 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.40 CCN(C)Cc1c[n]ccc1 Amb25133981 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.40 CCN(Cc1ccccc1)C Amb10807414 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.40 CCN(Cc1ccccc1)N Amb17232076 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.40 CCS(=O)Cc1ccccc1 Amb24485048 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.40 CC[C@@H](Br)Cc1ccccc1 Amb25770013 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.40 CC[C@@H](Cl)Cc1ccccc1 Amb24710145 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.40 CC[C@@H](N)Cc1ccccc1 Amb22748727 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.40 CC[C@@H](N)Cc1ccccc1 Amb25141525 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.40 CC[C@@H](O)Cc1ccccc1 Amb19375372 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.40 CC[C@H](Cl)Cc1ccccc1 Amb25765719 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.40 CC[C@H](N)Cc1cccc[n]1 Amb24432851 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.40 CC[C@H](N)Cc1ccccc1 Amb19929690 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.40 CN(CCl)Cc1ccccc1 Amb25324443 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.40 CN(CO)Cc1ccccc1 Amb24555500 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.40 CN(Cc1ccccc1)C#N Amb25072835 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.40 CN(Cc1ccccc1)C=S Amb25793091 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.40 CN(Cc1ccccc1)N=O Amb24074071 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.40 CNC(=S)Cc1ccccc1 Amb24559245 [1,0,0,0,0,0|1,1,1]=4 113 B11R1.40 CNC(Cc1ccccc1)C Amb17616872 [1,0,0,0,0,0|1,0,0]=2 114 B11R1.40 CNC(Cc1ccccn1)C Amb1995150 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.40 CN[C@H](Cc1ccccc1)C Amb17616868 [1,0,0,0,0,0|1,0,0]=2 116 B11R1.40 COC(=N)Cc1cc[n]cc1 Amb18182737 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.40 COC(=N)Cc1ccc[n]c1 Amb18799364 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.40 COC(=N)Cc1cccc[n]1 Amb18179377 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.40 COC(=N)Cc1ccccc1 Amb17673180 [1,0,0,0,0,0|1,0,1]=3 120 B11R1.40 COC(=N)Cc1ccccc1 Amb22366095 [1,0,0,0,0,0|1,0,1]=3 121 B11R1.40 COC(=N)Nc1ccccc1 Amb24509579 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.40 COC(=O)Cc1cc[n]cc1 Amb20240688 [1,0,0,0,0,0|1,0,2]=4 123 B11R1.40 COC(=O)Cc1ccc[n]c1 Amb22497118 [1,0,0,0,0,0|1,0,2]=4 124 B11R1.40 COC(=O)Cc1ccccn1 Amb1223230 [1,0,0,0,0,0|1,0,2]=4 125 B11R1.40 COC(=O)Nc1ccccc1 Amb1200636 [1,0,0,0,0,0|1,0,2]=4 126 B11R1.40 COC(=O)Oc1ccccc1 Amb10807421 [1,0,0,0,0,0|1,0,2]=4 127 B11R1.40 COC(C)Cc1cc[n]cc1 Amb24485830 [1,0,0,0,0,0|1,0,0]=2 128 B11R1.40 COC(Cl)Cc1ccccc1 Amb24711453 [1,0,0,0,0,0|1,0,0]=2 129 B11R1.40 COC(O)Cc1ccccc1 Amb24659514 [1,0,0,0,0,0|0,0,0]=1 130 B11R1.40 CON(C)Cc1[n]ccc[n]1 Amb25822146 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.40 CO[SiH](C)Cc1ccccc1 Amb19893555 [1,0,0,0,0,0|0,1,0]=2 132 B11R1.40 CO\C(=N/c1ccccc1)\[O-] Amb16224823 [1,0,0,0,0,0|1,0,2]=4 133 B11R1.40 CSC(=N)Cc1ccccc1 Amb25211803 [1,0,0,0,0,0|1,1,1]=4 134 B11R1.40 CSC(=O)Cc1ccccc1 Amb25293907 [1,0,0,0,0,0|0,1,2]=4 135 B11R1.40 C[C@@H](C=O)Nc1ccccc1 Amb25836355 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.40 C[C@@H](C=O)Oc1ccccc1 Amb24504931 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.40 C[C@@H](CN)Cc1ccccc1 Amb24615612 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.40 C[C@@H](CO)Sc1ccccc1 Amb25043604 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.40 C[C@@H](Cc1cc[n]cc1)C=O Amb24608169 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.40 C[C@H](CN)Cc1cc[n]cc1 Amb24745496 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.40 C[C@H](CO)Cc1ccccc1 Amb25266388 [1,0,0,0,0,0|2,0,0]=3 142 B11R1.40 C[C@H](Cc1ccccc1)C=O Amb25255421 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.40 C\C(=C/c1ccccc1)\NC Amb25825428 [1,0,0,0,0,0|1,0,2]=4 144 B11R1.40 C\C(=N\c1cccc[n]1)\OC Amb24095834 [1,0,0,0,0,0|2,0,1]=4 145 B11R1.40 C\C(\CC)=C\c1ccccc1 Amb22546773 [1,0,0,0,0,0|1,0,2]=4 146 B11R1.40 C\C(\Cc1ccccc1)=C\Cl Amb24718044 [1,0,0,0,0,0|2,0,1]=4 147 B11R1.40 C\C(\Cc1ccccc1)=N\N Amb24501436 [1,0,0,0,0,0|2,0,1]=4 148 B11R1.40 C\N=C(\N)/Cc1ccccc1 Amb23569051 [1,0,0,0,0,0|2,0,1]=4 149 B11R1.40 ClC(Cc1ccccc1)C#N Amb1103676 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.40 ClCC(Cc1ccccc1)C Amb17477588 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.40 ClCC(Cl)Cc1ccccc1 Amb25061392 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.40 ClCC(Oc1ccccc1)C Amb17232796 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.40 FCC(Br)Cc1ccccc1 Amb24611243 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.40 FCC(Cc1ccccc1)N Amb17614462 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.40 FCC(F)Cc1ccccc1 Amb22641518 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.40 N#CC(O)Cc1c[n]ccc1 Amb24062544 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.40 N#CC(O)Cc1cccc[n]1 Amb25722520 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.40 N#C[C@@H](O)Cc1ccccc1 Amb24715921 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.40 N#C[C@H](O)Cc1ccccc1 Amb25846935 [1,0,0,0,0,0|2,0,0]=3 160 B11R1.40 NC(CBr)Cc1ccccc1 Amb22489725 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.40 NC(Cc1ccccc1)C#N Amb1127111 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.40 NC(Cc1ccccc1)NO Amb25047325 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.40 NCC(Cc1cccnc1)O Amb17232103 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.40 NCC(Cl)Cc1ccccc1 Amb24740670 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.40 NCC(F)Cc1ccccc1 Amb24434017 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.40 NCC(O)Cc1cc[n]cc1 Amb18201350 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.40 NCC(O)Cc1cccc[n]1 Amb18201349 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.40 NCC(O)Cc1cccc[n]1 Amb22898917 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.40 NCC(S)Cc1ccccc1 Amb18251941 [1,0,0,0,0,0|2,1,0]=4 170 B11R1.40 NCC(Sc1ccccc1)C Amb17485971 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.40 NC[C@@H](Cc1ccccc1)N Amb17619359 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.40 NC[C@@H](O)Cc1ccccc1 Amb22746804 [1,0,0,0,0,0|2,0,0]=3 173 B11R1.40 NC[C@H](Cc1ccccc1)N Amb17619360 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.40 NC[C@H](O)Cc1ccccc1 Amb24538166 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.40 N[C@@H](CBr)Cc1ccccc1 Amb22747782 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.40 N[C@@H](CCl)Cc1ccccc1 Amb24758237 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.40 N[C@@H](CF)Cc1ccccc1 Amb24484482 [1,0,0,0,0,0|3,0,0]=4 178 B11R1.40 N[C@@H](CO)Cc1ccccc1 Amb20242871 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.40 N[C@@H](CS)Cc1ccccc1 Amb25073967 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.40 N[C@@H](Cc1ccccc1)C#N Amb17399902 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.40 N[C@H](CCl)Cc1ccccc1 Amb24533056 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.40 N[C@H](CF)Cc1ccccc1 Amb25151303 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.40 N[C@H](CS)Cc1ccccc1 Amb25765677 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.40 N[C@H](Cc1ccccc1)C=O Amb24746755 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.40 O=C(Cc1ccccc1)O[Ag] Amb22359200 [1,0,0,0,0,0|1,0,2]=4 186 B11R1.40 O=CC(Br)Cc1ccccc1 Amb18657408 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.40 O=CC(Cc1ccccc1)Cl Amb17204312 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.40 O=CC(F)Cc1ccccc1 Amb24714702 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.40 O=C[C@@H](Br)Cc1ccccc1 Amb24461614 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.40 O=C[C@@H](F)Cc1ccccc1 Amb24724556 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.40 O=C[C@H](Br)Cc1ccccc1 Amb25778238 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.40 O=NC(Cc1ccccn1)C Amb10549352 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.40 OC(CBr)Oc1ccccc1 Amb24724811 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.40 OC(CBr)Sc1ccccc1 Amb24065441 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.40 OC(CCl)C[n+]1ccccc1 Amb22346544 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.40 OC(CCl)Cc1c[n]ccc1 Amb25189476 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.40 OC(CCl)Oc1ccccc1 Amb24635839 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.40 OC(CF)Cc1ccccc1 Amb24733743 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.40 OC(CS)Cc1ccccc1 Amb25740621 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.40 OC(Cc1c[n]ccc1)C=O Amb24533570 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.40 OC(Cc1cc[n]cc1)C=O Amb24751695 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.40 OC(Cc1ccccc1)C=O Amb25065752 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.40 OCC(Cc1ccccc1)C Amb17477578 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.40 OCC(Cc1ccccc1)O Amb17593786 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.40 OCC(Cl)Cc1ccccc1 Amb24373181 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.40 OCC(F)Cc1ccccc1 Amb25225922 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.40 OCC(O)Nc1ccccc1 Amb25369775 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.40 OCC(Oc1ccccc1)C Amb17232100 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.40 OC[C@@H](O)Cc1ccccc1 Amb25204361 [1,0,0,0,0,0|2,0,0]=3 210 B11R1.40 OC[C@H](Br)Cc1ccccc1 Amb24639076 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.40 OC[C@H](O)Cc1ccccc1 Amb24392862 [1,0,0,0,0,0|2,0,0]=3 212 B11R1.40 O[C@@H](CCl)Cc1ccccc1 Amb19929327 [1,0,0,0,0,0|2,0,0]=3 213 B11R1.40 O[C@H](CBr)Cc1ccccc1 Amb24392488 [1,0,0,0,0,0|2,0,0]=3 214 B11R1.40 O[C@H](CCl)Cc1ccccc1 Amb19929332 [1,0,0,0,0,0|2,0,0]=3 215 B11R1.40 O[C@H](Cc1ccccc1)C=O Amb25683436 [1,0,0,0,0,0|2,0,0]=3 216 B11R1.40 O\C(\Cc1ccccc1)=N/O Amb19986986 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.79 CCC(CNC)Oc1ccccc1 Amb18809238 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.79 CCC(Cc1ccccc1)NCC Amb18180699 [0,1,0,0,0,0|2,0,0]=3 219 B13R1.79 CCCN(Cc1ccccc1)OC Amb25098386 [0,1,0,0,0,0|2,0,0]=3 220 B13R1.79 CCN(CCCl)Cc1ccccc1 Amb22345952 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.79 CCN(CCF)Cc1ccccc1 Amb24529773 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.79 CCN\C(=N\c1ccccc1)\OC Amb25731849 [0,1,0,0,0,0|2,0,1]=4 223 B13R1.79 CCO\C(\NC)=N\c1ccccc1 Amb24374042 [0,1,0,0,0,0|2,0,1]=4 224 B13R1.79 CNC(CCCl)Cc1ccccc1 Amb24063257 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.79 CON(CC#N)Cc1ccccc1 Amb25097479 [0,1,0,0,0,0|2,0,1]=4 226 B13R1.79 CON(CCO)Cc1ccccc1 Amb25819964 [0,1,0,0,0,0|2,0,0]=3 227 B13R1.79 C\C=C\C(CC)Nc1ccccc1 Amb24417887 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.79 ClCCN(Cc1ccccc1)CC Amb17337255 [0,1,0,0,0,0|3,0,0]=4 229 B13R1.86 CC(C(C#N)NC)c1ccccc1 Amb18975499 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.86 CC(C(C#N)OC)c1ccccc1 Amb24534007 [0,1,0,0,0,0|2,0,0]=3 231 B13R1.86 CC(C(OC)OC)c1ccccc1 Amb22336595 [0,1,0,0,0,0|0,0,0]=1 232 B13R1.86 CCC(C#N)C(O)c1ccccc1 Amb25083808 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.86 CCC(C(=O)c1ccccc1)NC Amb17621424 [0,1,0,0,0,0|2,0,1]=4 234 B13R1.86 CCC(NC)C(O)c1ccccc1 Amb18604539 [0,1,0,0,0,0|2,0,0]=3 235 B13R1.86 CC[C@@H](NC)[C@H](O)c1ccccc1 Amb19133210 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.86 CC[C@H](C#N)[C@@H](O)c1ccccc1 Amb25069704 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.86 CNC(C#N)C(O)c1ccccc1 Amb25752020 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.86 CNC(C#N)[C@H](O)c1ccccc1 Amb24558381 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.86 CN[C@@H](C#N)[C@@H](O)c1ccccc1 Amb24310254 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.86 COC(=C=C)C(N)c1ccccc1 Amb24488900 [0,1,0,0,0,0|1,0,2]=4 241 B13R1.86 COC(C(=O)c1ccccc1)OC Amb10559989 [0,1,0,0,0,0|0,0,1]=2 242 B13R1.86 COP(OC)C(=O)c1ccccc1 Amb17778335 [0,1,0,0,0,0|1,0,1]=3 243 B13R1.86 CSC(SC)C(=O)c1ccccc1 Amb22470038 [0,1,0,0,0,0|0,2,1]=4 244 B13R1.86 C\N=C(/OC)\C(=O)c1ccccc1 Amb25231295 [0,1,0,0,0,0|1,0,2]=4 245 B13R1.145 CCN(Cc1ccc(Cl)cc1)CC Amb22900099 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.145 CCN(Cc1ccc(N)cc1)CC Amb24086907 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.145 CCN(Cc1ccc(cc1)C)CC Amb1829607 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.145 CCN(Cc1ccc(cc1)I)CC Amb10070278 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.145 CCN(Cc1ccc(cc1)N)CC Amb1112917 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.145 CNC(CO)Cc1ccc(Cl)cc1 Amb18066511 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.145 CNC(CO)Cc1ccc(F)cc1 Amb18066103 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.145 COC(Cc1ccc(F)cc1)OC Amb19330385 [0,1,0,0,0,0|0,0,0]=1 253 B13R1.145 COC(Cc1ccc(N)cc1)OC Amb21963825 [0,1,0,0,0,0|0,0,0]=1 254 B13R1.145 Cc1ccc(CC(C#C)NC)cc1 Amb25062771 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.145 Cc1ccc(CC(C#N)NC)cc1 Amb24510232 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.145 Cc1ccc(CC(CC)NC)cc1 Amb18795950 [0,1,0,0,0,0|2,0,0]=3 257 B13R1.145 Cc1ccc(CC(OC)OC)cc1 Amb24066883 [0,1,0,0,0,0|0,0,0]=1 258 B13R1.145 Cc1ccc(C\C(\NC)=N/C)cc1 Amb24728214 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.146 CCC(CN)Cc1cc(Br)ccc1 Amb19515548 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.146 CCN(Cc1cccc(Br)c1)CC Amb22900164 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.146 CCN(Cc1cccc(c1)N)CC Amb1092116 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.146 CCN(Cc1cccc(c1)N)CC Amb2137231 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.146 CCN(Cc1cccc(c1)O)CC Amb17511194 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.146 CNC(Cc1cccc(Br)c1)C#C Amb25196632 [0,1,0,0,0,0|2,0,1]=4 265 B13R1.146 COC(Cc1cccc(Cl)c1)OC Amb19373689 [0,1,0,0,0,0|0,0,0]=1 266 B13R1.146 COC(Cc1cccc(F)c1)OC Amb19329171 [0,1,0,0,0,0|0,0,0]=1 267 B13R1.335 CCC(CC)Nc1ccccc1O Amb24417699 [0,1,0,0,0,0|3,0,0]=4 268 B13R1.335 CCN(Cc1ccccc1Br)CC Amb22831746 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.335 CCN(Cc1ccccc1Br)CC Amb22831747 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.335 CCN(Cc1ccccc1N)CC Amb21954311 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.335 CCN(Cc1ccccc1O)CC Amb1831456 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.335 COC(Cc1ccccc1F)OC Amb19419528 [0,1,0,0,0,0|0,0,0]=1 273 B13R1.335 Cc1ccccc1CC(C#C)NC Amb25698667 [0,1,0,0,0,0|2,0,1]=4 274 B13R1.418 CC(=O)C(Cc1ccccc1)C#N Amb24492583 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.418 CC(=O)N(Oc1ccccc1)OC Amb24096701 [0,1,0,0,0,0|3,0,0]=4 276 B13R1.418 CC(=O)[C@@H](CC)Nc1ccccc1 Amb25690329 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.418 CC(=O)\C(=C/c1ccccc1)\OC Amb24588864 [0,1,0,0,0,0|1,0,2]=4 278 B13R1.418 CC(=O)\C(\Cc1ccccc1)=C\C Amb24364205 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.418 CCC(C(=O)C)Cc1ccccc1 Amb17233201 [0,1,0,0,0,0|2,0,0]=3 280 B13R1.418 CN[C@@H](C(=O)O)Cc1ccccc1 Amb16183857 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.418 CN[C@@H](Cc1ccccc1)C(O)=O Amb22744994 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.418 CN[C@H](C(=O)O)Cc1ccccc1 Amb10604038 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.418 COC(Cc1ccccc1)C(O)=O Amb18128650 [0,1,0,0,0,0|2,0,0]=3 284 B13R1.418 COC(Nc1ccccc1)N(C)C Amb25239313 [0,1,0,0,0,0|2,0,0]=3 285 B13R1.418 CON(Cc1ccccc1)C(=O)Cl Amb24564167 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.418 CON(Cc1ccccc1)C(N)=O Amb24529724 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.418 CO[C@@H](Cc1ccccc1)C(O)=O Amb22747352 [0,1,0,0,0,0|2,0,0]=3 288 B13R1.418 C[C@H](O)[C@@H](CC)Nc1ccccc1 Amb24709370 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.418 NCC(C(C)C)Cc1ccccc1 Amb17233325 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.418 NO[C@@H](C(=O)O)Cc1ccccc1 Amb10070584 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.418 NO[C@H](C(=O)O)Cc1ccccc1 Amb10070583 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.418 [NH3+]OC(Cc1ccccc1)C(O)=O Amb22471708 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.3080 CC(CC)(CC)Nc1ccccc1 Amb24668937 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.3080 CCC(N)(Cc1ccccc1)C#N Amb25772493 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.3080 CCC(O)(Cc1ccccc1)C#N Amb24748902 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.3080 CC[Si](O)(Cc1ccccc1)CC Amb22366446 [0,1,0,0,0,0|2,1,0]=4 297 B13R1.3080 CNC(C)(Cc1ccccc1)C#N Amb19001790 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.3080 COP(=O)(Cc1ccccc1)OC Amb10604147 [0,1,0,0,0,0|1,0,0]=2 299 B13R1.3080 CSC(Cc1ccccc1)(C#N)C Amb17595006 [0,1,0,0,0,0|2,1,0]=4 300 B13R2.27 CC1CCC1Nc2ccccc2 Amb25155487 [0,0,0,1,0,0|3,0,0]=4 301 B13R2.27 CC1NCC1Cc2ccccc2 Amb25149817 [0,0,0,1,0,0|3,0,0]=4 302 B13R2.27 O=C1CC[C@@H]1Cc2ccccc2 Amb25792997 [0,0,0,1,0,0|3,0,0]=4 303 B13R2.45 CC1C(CCl)Cc2ccccc21 Amb24634202 [0,0,0,1,0,0|3,0,0]=4 304 B13R2.45 CC1C(CO)Cc2ccccc21 Amb25832766 [0,0,0,1,0,0|3,0,0]=4 305 B13R2.45 CCC1Cc2ccccc2C1Cl Amb18186760 [0,0,0,1,0,0|3,0,0]=4 306 B13R2.45 CCC1Cc2ccccc2C1N Amb18279401 [0,0,0,1,0,0|3,0,0]=4 307 B13R2.45 CCC1Cc2ccccc2C1O Amb18800660 [0,0,0,1,0,0|3,0,0]=4 308 B13R2.45 CC[C@@H]1Cc2ccccc2[C@@H]1O Amb24520334 [0,0,0,1,0,0|3,0,0]=4 309 B13R2.45 CC[C@@H]1Cc2ccccc2[C@H]1O Amb24544415 [0,0,0,1,0,0|3,0,0]=4 310 B13R2.45 CC[C@H]1Cc2c(C1=O)cccc2 Amb16232572 [0,0,0,1,0,0|3,0,0]=4 311 B13R2.45 CC[C@H]1Cc2ccccc2[C@@H]1O Amb24520335 [0,0,0,1,0,0|3,0,0]=4 312 B13R2.45 CC[C@H]1Cc2ccccc2[C@H]1O Amb24576483 [0,0,0,1,0,0|3,0,0]=4 313 B13R2.45 CN1C(CCl)Cc2ccccc12 Amb25109902 [0,0,0,1,0,0|3,0,0]=4 314 B13R2.45 CN1C(CO)Cc2ccccc12 Amb25086044 [0,0,0,1,0,0|3,0,0]=4 315 B13R2.45 CN1C(Cc2ccccc12)C=O Amb23586332 [0,0,0,1,0,0|3,0,0]=4 316 B13R2.45 CNC1Cc2ccccc2C1Cl Amb25731818 [0,0,0,1,0,0|3,0,0]=4 317 B13R2.45 CNC1Cc2ccccc2C1N Amb25680007 [0,0,0,1,0,0|3,0,0]=4 318 B13R2.45 CNC1Cc2ccccc2C1O Amb18645898 [0,0,0,1,0,0|3,0,0]=4 319 B13R2.45 CN[C@@H]1Cc2ccccc2[C@@H]1Cl Amb25173003 [0,0,0,1,0,0|3,0,0]=4 320 B13R2.45 CN[C@@H]1Cc2ccccc2[C@H]1O Amb24056611 [0,0,0,1,0,0|3,0,0]=4 321 B13R2.45 CN[C@H]1Cc2ccccc2[C@@H]1N Amb24680132 [0,0,0,1,0,0|3,0,0]=4 322 B13R2.45 CN[C@H]1Cc2ccccc2[C@H]1O Amb24540763 [0,0,0,1,0,0|3,0,0]=4 323 B13R2.45 COC1Cc2c(C1N)cccc2 Amb1140146 [0,0,0,1,0,0|2,0,0]=3 324 B13R2.45 COC1Cc2ccccc2C1=O Amb24532698 [0,0,0,1,0,0|2,0,0]=3 325 B13R2.45 COC1Cc2ccccc2C1O Amb18800787 [0,0,0,1,0,0|2,0,0]=3 326 B13R2.45 COC1Oc2ccccc2C1=O Amb24061519 [0,0,0,1,0,0|3,0,0]=4 327 B13R2.45 CO[C@@H]1Cc2ccccc2[C@@H]1N Amb24519372 [0,0,0,1,0,0|2,0,0]=3 328 B13R2.45 CO[C@H]1Cc2ccccc2[C@@H]1O Amb24515517 [0,0,0,1,0,0|2,0,0]=3 329 B13R2.45 CO[C@H]1Cc2ccccc2[C@H]1N Amb24567956 [0,0,0,1,0,0|2,0,0]=3 330 B13R2.45 CSC1Cc2ccccc2C1Cl Amb25275259 [0,0,0,1,0,0|2,1,0]=4 331 B13R2.45 CSC1Cc2ccccc2C1N Amb25150959 [0,0,0,1,0,0|2,1,0]=4 332 B13R2.45 CS[C@H]1Cc2ccccc2[C@@H]1Cl Amb24656132 [0,0,0,1,0,0|2,1,0]=4 333 B13R2.56 BrCC1CCC1c2ccccc2 Amb23453481 [0,0,0,1,0,0|3,0,0]=4 334 B13R2.56 CN[C@@H]1CC[C@H]1c2ccccc2 Amb25339675 [0,0,0,1,0,0|2,0,0]=3 335 B13R2.56 ClCC1CCC1c2ccccc2 Amb25765680 [0,0,0,1,0,0|3,0,0]=4 336 B13R2.56 NC[C@@H]1CC[C@H]1c2ccccc2 Amb24624474 [0,0,0,1,0,0|3,0,0]=4 337 B13R2.56 OCC1CCC1c2ccccc2 Amb23453480 [0,0,0,1,0,0|3,0,0]=4 338 B13R2.56 OCC1OCC1c2ccccc2 Amb24703890 [0,0,0,1,0,0|2,0,0]=3 339 B13R2.56 OC[C@H]1CC[C@H]1c2ccccc2 Amb25271469 [0,0,0,1,0,0|3,0,0]=4 340 B13R2.57 BrCC1Cc2ccccc2CC1 Amb22342463 [0,0,0,1,0,0|3,0,0]=4 341 B13R2.57 BrCC1Cc2ccccc2CO1 Amb22642214 [0,0,0,1,0,0|2,0,0]=3 342 B13R2.57 C#CC1Cc2ccccc2CO1 Amb24538773 [0,0,0,1,0,0|1,0,1]=3 343 B13R2.57 CCC1CCc2ccccc2N1 Amb20624014 [0,0,0,1,0,0|3,0,0]=4 344 B13R2.57 CCC1CCc2ccccc2S1 Amb25689802 [0,0,0,1,0,0|3,0,0]=4 345 B13R2.57 CCC1Cc2ccccc2CC1 Amb25062921 [0,0,0,1,0,0|2,0,0]=3 346 B13R2.57 CCC1Cc2ccccc2CN1 Amb18947349 [0,0,0,1,0,0|2,0,0]=3 347 B13R2.57 CCC1NCc2ccccc2O1 Amb25324001 [0,0,0,1,0,0|3,0,0]=4 348 B13R2.57 CCC1Nc2ccccc2CO1 Amb24468346 [0,0,0,1,0,0|2,0,0]=3 349 B13R2.57 CCN1Cc2ccccc2CC1 Amb18463027 [0,0,0,1,0,0|3,0,0]=4 350 B13R2.57 CC[C@H]1CCc2ccccc2N1 Amb25095358 [0,0,0,1,0,0|3,0,0]=4 351 B13R2.57 CNC1=Nc2ccccc2CO1 Amb25081451 [0,0,0,1,0,0|2,0,1]=4 352 B13R2.57 CNC1Cc2ccc[n]c2CC1 Amb24632588 [0,0,0,1,0,0|3,0,0]=4 353 B13R2.57 CNC1Cc2ccccc2C=C1 Amb18645220 [0,0,0,1,0,0|2,0,1]=4 354 B13R2.57 CNC1Cc2ccccc2CC1 Amb22002469 [0,0,0,1,0,0|2,0,0]=3 355 B13R2.57 CNN1Cc2ccccc2CC1 Amb24066845 [0,0,0,1,0,0|3,0,0]=4 356 B13R2.57 CN[C@@H]1CNc2ccccc2C1 Amb22745775 [0,0,0,1,0,0|3,0,0]=4 357 B13R2.57 CN[C@H]1CNc2ccccc2C1 Amb22232573 [0,0,0,1,0,0|3,0,0]=4 358 B13R2.57 COC1Cc2ccc[n]c2CC1 Amb25667230 [0,0,0,1,0,0|2,0,0]=3 359 B13R2.57 COC=1Cc2ccc[n]c2CC1 Amb24365189 [0,0,0,1,0,0|2,0,1]=4 360 B13R2.57 FC[C@@H]1Cc2ccccc2CN1 Amb25751538 [0,0,0,1,0,0|3,0,0]=4 361 B13R2.57 ICC1Cc2ccccc2CC1 Amb24483732 [0,0,0,1,0,0|3,0,0]=4 362 B13R2.57 N#CC1CCc2c(C1)cccc2 Amb17470402 [0,0,0,1,0,0|3,0,0]=4 363 B13R2.57 NCC1CCc2c(C1)cccc2 Amb17470427 [0,0,0,1,0,0|3,0,0]=4 364 B13R2.57 NCC1Cc2ccccc2CC1 Amb19515414 [0,0,0,1,0,0|3,0,0]=4 365 B13R2.57 NCC1Cc2ccccc2CN1 Amb22394958 [0,0,0,1,0,0|3,0,0]=4 366 B13R2.57 NCC1Cc2ccccc2CN1 Amb22753917 [0,0,0,1,0,0|3,0,0]=4 367 B13R2.57 NCC1Cc2ccccc2CO1 Amb22232904 [0,0,0,1,0,0|2,0,0]=3 368 B13R2.57 NCC1OCc2ccccc2O1 Amb24644069 [0,0,0,1,0,0|3,0,0]=4 369 B13R2.57 NC[C@@H]1Cc2ccccc2CN1 Amb22232880 [0,0,0,1,0,0|3,0,0]=4 370 B13R2.57 NC[C@@H]1Cc2ccccc2CN1 Amb22754523 [0,0,0,1,0,0|3,0,0]=4 371 B13R2.57 NC[C@H]1Cc2ccccc2CN1 Amb22232877 [0,0,0,1,0,0|3,0,0]=4 372 B13R2.57 NNC1Cc2ccccc2CC1 Amb18180062 [0,0,0,1,0,0|3,0,0]=4 373 B13R2.57 O=CC1Cc2ccccc2CC1 Amb18645362 [0,0,0,1,0,0|3,0,0]=4 374 B13R2.57 O=CC1Cc2ccccc2CO1 Amb25694508 [0,0,0,1,0,0|2,0,0]=3 375 B13R2.57 OCC1Cc2ccccc2CN1 Amb24102309 [0,0,0,1,0,0|3,0,0]=4 376 B13R2.57 OCC1Cc2ccccc2CO1 Amb22642212 [0,0,0,1,0,0|2,0,0]=3 377 B13R2.57 OCC1OCc2ccccc2O1 Amb25158101 [0,0,0,1,0,0|3,0,0]=4 378 B13R2.57 OC[C@H]1Cc2ccccc2CC1 Amb24407583 [0,0,0,1,0,0|3,0,0]=4 379 B13R2.64 C(C1=CCCN1)c2ccccc2 Amb17938862 [0,0,0,1,0,0|2,0,1]=4 380 B13R2.64 C(C1CCCC1)[n+]2ccccc2 Amb24717860 [0,0,0,1,0,0|3,0,0]=4 381 B13R2.64 C(C1CCCC1)c2ccccc2 Amb25116668 [0,0,0,1,0,0|2,0,0]=3 382 B13R2.64 C(C1CCCN1)[n+]2ccccc2 Amb25752703 [0,0,0,1,0,0|3,0,0]=4 383 B13R2.64 C(C1CCCN1)c2ccccc2 Amb17659145 [0,0,0,1,0,0|2,0,0]=3 384 B13R2.64 C(C1CCN=N1)c2ccccc2 Amb24062003 [0,0,0,1,0,0|3,0,0]=4 385 B13R2.64 C(C1NCCS1)c2ccccc2 Amb18796192 [0,0,0,1,0,0|1,1,0]=3 386 B13R2.64 C(C1OCCO1)c2cccc[n]2 Amb24599565 [0,0,0,1,0,0|1,0,0]=2 387 B13R2.64 C([C@@H]1CCCN1)[n+]2ccccc2 Amb25738476 [0,0,0,1,0,0|3,0,0]=4 388 B13R2.64 C([C@@H]1CCCN1)c2ccccc2 Amb19883945 [0,0,0,1,0,0|2,0,0]=3 389 B13R2.64 C([C@H]1CCCN1)c2c[n]ccc2 Amb24567902 [0,0,0,1,0,0|3,0,0]=4 390 B13R2.64 C(c1cc[n]cc1)N2CCCO2 Amb24420686 [0,0,0,1,0,0|3,0,0]=4 391 B13R2.64 C(c1ccccc1)C=2CCCC2 Amb24059058 [0,0,0,1,0,0|2,0,1]=4 392 B13R2.64 C(c1ccccc1)C=2CCCN2 Amb24053775 [0,0,0,1,0,0|2,0,1]=4 393 B13R2.64 C(c1ccccc1)[S+]2CCCC2 Amb24730066 [0,0,0,1,0,0|3,0,0]=4 394 B13R2.64 C1C=CC(Cc2ccccc2)N1 Amb25798238 [0,0,0,1,0,0|2,0,1]=4 395 B13R2.64 C1CCC(C1)Oc2ccccc2 Amb17672970 [0,0,0,1,0,0|3,0,0]=4 396 B13R2.64 C1CCC(C1)Sc2ccccc2 Amb17939235 [0,0,0,1,0,0|3,0,0]=4 397 B13R2.64 C1CCC(Nc2ccccc2)S1 Amb25160084 [0,0,0,1,0,0|2,1,0]=4 398 B13R2.64 C1CCC(O1)Sc2cc[n]cc2 Amb24576406 [0,0,0,1,0,0|3,0,0]=4 399 B13R2.64 C1CCC(Oc2cccc[n]2)O1 Amb25272199 [0,0,0,1,0,0|3,0,0]=4 400 B13R2.64 C1CCC(Oc2ccccc2)O1 Amb22752483 [0,0,0,1,0,0|2,0,0]=3 401 B13R2.64 C1CCN(C1)Cc2ccccc2 Amb1829831 [0,0,0,1,0,0|3,0,0]=4 402 B13R2.64 C1CNC(C1)Cc2ccccc2 Amb1125550 [0,0,0,1,0,0|2,0,0]=3 403 B13R2.64 C1CNC(C1)Cc2ccccn2 Amb2234788 [0,0,0,1,0,0|3,0,0]=4 404 B13R2.64 C1CNC(C1)Cc2cccnc2 Amb10068752 [0,0,0,1,0,0|3,0,0]=4 405 B13R2.64 C1COC(N1)Cc2ccccc2 Amb17506176 [0,0,0,1,0,0|1,0,0]=2 406 B13R2.64 C1CSC(Nc2ccccc2)S1 Amb25316513 [0,0,0,1,0,0|1,2,0]=4 407 B13R2.64 C1NC(CO1)Cc2ccccc2 Amb18563410 [0,0,0,1,0,0|3,0,0]=4 408 B13R2.64 C1NCCC1Cc2ccccc2 Amb24097496 [0,0,0,1,0,0|3,0,0]=4 409 B13R2.64 C1NCC[C@@H]1Cc2ccccc2 Amb24484248 [0,0,0,1,0,0|3,0,0]=4 410 B13R2.64 c1ccc(cc1)CC2=NCCO2 Amb2429421 [0,0,0,1,0,0|1,0,1]=3 411 B13R2.101 CCC1(CO1)Cc2ccccc2 Amb25351735 [0,0,0,1,0,0|1,0,0]=2 412 B13R2.101 CNC1(Cc2ccccc2)CC1 Amb24563805 [0,0,0,1,0,0|2,0,0]=3 413 B13R2.101 COC1(CC1)Nc2ccccc2 Amb24096333 [0,0,0,1,0,0|2,0,0]=3 414 B13R2.101 ClCC1(CO1)Cc2ccccc2 Amb24710244 [0,0,0,1,0,0|2,0,0]=3 415 B13R2.101 N#CC1(Cc2ccccc2)CC1 Amb25041615 [0,0,0,1,0,0|3,0,0]=4 416 B13R2.101 NCC1(Cc2ccccc2)CC1 Amb18560535 [0,0,0,1,0,0|3,0,0]=4 417 B13R2.101 O=CC1(Cc2ccccc2)CC1 Amb25739009 [0,0,0,1,0,0|3,0,0]=4 418 B13R2.101 O=C[C@@]1(CO1)Cc2ccccc2 Amb24627868 [0,0,0,1,0,0|2,0,0]=3 419 B13R2.101 O=C[C@]1(CO1)Cc2ccccc2 Amb25159225 [0,0,0,1,0,0|2,0,0]=3 420 B13R2.101 OCC1(CO1)Cc2ccccc2 Amb25220951 [0,0,0,1,0,0|2,0,0]=3 421 B13R2.101 OCC1(Cc2ccccc2)CC1 Amb25680722 [0,0,0,1,0,0|3,0,0]=4 422 B13R2.138 C[C@@H]1[C@H](C=O)[C@H]1c2ccccc2 Amb25212061 [0,0,0,1,0,0|3,0,0]=4 423 B13R2.138 C[C@H]1[C@@H](C=O)[C@@H]1c2ccccc2 Amb25302243 [0,0,0,1,0,0|3,0,0]=4 424 B13R2.138 C[C@H]1[C@@H](CO)[C@@H]1c2ccccc2 Amb24719551 [0,0,0,1,0,0|3,0,0]=4 425 B13R2.138 C[C@H]1[C@H](C=O)[C@@H]1c2ccccc2 Amb24580397 [0,0,0,1,0,0|3,0,0]=4 426 B11R1.12 CCC(C=C)c1ccccc1 Amb24485761 [0,0,0,0,1,0|2,0,1]=4 427 B11R1.12 CCC(NC)c1cc[n]cc1 Amb18301849 [0,0,0,0,1,0|3,0,0]=4 428 B11R1.12 CCC(NC)c1ccccc1 Amb22492401 [0,0,0,0,1,0|2,0,0]=3 429 B11R1.12 CCC(SC)c1ccccc1 Amb24484978 [0,0,0,0,1,0|1,1,0]=3 430 B11R1.12 CCC(c1ccccc1)C=O Amb17138422 [0,0,0,0,1,0|3,0,0]=4 431 B11R1.12 CCC(c1ccccc1)CBr Amb17241352 [0,0,0,0,1,0|3,0,0]=4 432 B11R1.12 CCC(c1ccccc1)CN Amb2371100 [0,0,0,0,1,0|3,0,0]=4 433 B11R1.12 CCC(c1ccccc1)NC Amb1116786 [0,0,0,0,1,0|2,0,0]=3 434 B11R1.12 CCC(c1ccccc1)NO Amb10605010 [0,0,0,0,1,0|3,0,0]=4 435 B11R1.12 CCC(c1ccccn1)NC Amb10607918 [0,0,0,0,1,0|3,0,0]=4 436 B11R1.12 CCC(c1cccnc1)NC Amb10607958 [0,0,0,0,1,0|3,0,0]=4 437 B11R1.12 CCN(c1ccccc1)CC Amb10072363 [0,0,0,0,1,0|3,0,0]=4 438 B11R1.12 CC[C@@H](CCl)c1ccccc1 Amb25250668 [0,0,0,0,1,0|3,0,0]=4 439 B11R1.12 CC[C@@H](CN)c1ccccc1 Amb22746798 [0,0,0,0,1,0|3,0,0]=4 440 B11R1.12 CC[C@@H](NO)c1ccccc1 Amb25303906 [0,0,0,0,1,0|3,0,0]=4 441 B11R1.12 CC[C@H](C=O)c1ccccc1 Amb25731916 [0,0,0,0,1,0|3,0,0]=4 442 B11R1.12 CC[C@H](CO)c1ccccc1 Amb25684561 [0,0,0,0,1,0|3,0,0]=4 443 B11R1.12 CNC(C=C)c1ccccc1 Amb18124852 [0,0,0,0,1,0|2,0,1]=4 444 B11R1.12 CNC(CBr)c1ccccc1 Amb25095723 [0,0,0,0,1,0|3,0,0]=4 445 B11R1.12 CNC(CF)c1ccccc1 Amb23443830 [0,0,0,0,1,0|3,0,0]=4 446 B11R1.12 CNC(CO)c1ccccc1 Amb18035932 [0,0,0,0,1,0|3,0,0]=4 447 B11R1.12 CNC(c1ccccc1)C#N Amb17621643 [0,0,0,0,1,0|3,0,0]=4 448 B11R1.12 CN[C@@H](CO)c1ccccc1 Amb22746483 [0,0,0,0,1,0|3,0,0]=4 449 B11R1.12 CN[C@@H](CO)c1ccccc1 Amb23400921 [0,0,0,0,1,0|3,0,0]=4 450 B11R1.12 COB(OC)c1ccccc1 Amb24103414 [0,0,0,0,1,0|1,0,0]=2 451 B11R1.12 COB(c1ccccn1)OC Amb2456051 [0,0,0,0,1,0|2,0,0]=3 452 B11R1.12 COB(c1cccnc1)OC Amb10070988 [0,0,0,0,1,0|2,0,0]=3 453 B11R1.12 COC(C#C)c1ccccc1 Amb25242698 [0,0,0,0,1,0|1,0,1]=3 454 B11R1.12 COC(C#N)c1cccc[n]1 Amb25151169 [0,0,0,0,1,0|3,0,0]=4 455 B11R1.12 COC(C=C)c1ccccc1 Amb22002227 [0,0,0,0,1,0|1,0,1]=3 456 B11R1.12 COC(C=O)c1cccc[n]1 Amb25364326 [0,0,0,0,1,0|3,0,0]=4 457 B11R1.12 COC(C=O)c1ccccc1 Amb18125121 [0,0,0,0,1,0|2,0,0]=3 458 B11R1.12 COC(CBr)c1ccccc1 Amb24079930 [0,0,0,0,1,0|2,0,0]=3 459 B11R1.12 COC(CCl)c1ccccc1 Amb17674030 [0,0,0,0,1,0|2,0,0]=3 460 B11R1.12 COC(CN)c1c[n]ccc1 Amb18980565 [0,0,0,0,1,0|3,0,0]=4 461 B11R1.12 COC(CN)c1cc[n]cc1 Amb18980589 [0,0,0,0,1,0|3,0,0]=4 462 B11R1.12 COC(CN)c1cccc[n]1 Amb18980548 [0,0,0,0,1,0|3,0,0]=4 463 B11R1.12 COC(OC)c1[n]ccc[n]1 Amb22751412 [0,0,0,0,1,0|2,0,0]=3 464 B11R1.12 COC(OC)c1c[n][n]cc1 Amb23560297 [0,0,0,0,1,0|2,0,0]=3 465 B11R1.12 COC(OC)c1c[n]cc[n]1 Amb24665647 [0,0,0,0,1,0|2,0,0]=3 466 B11R1.12 COC(OC)c1cc[n]cc1 Amb24487039 [0,0,0,0,1,0|1,0,0]=2 467 B11R1.12 COC(OC)c1cccc[n]1 Amb25676282 [0,0,0,0,1,0|1,0,0]=2 468 B11R1.12 CO[C+](OC)c1ccccc1 Amb25369960 [0,0,0,0,1,0|0,0,1]=2 469 B11R1.12 CO[C@@H](C=O)c1ccccc1 Amb25252891 [0,0,0,0,1,0|2,0,0]=3 470 B11R1.12 CO[C@@H](CO)c1ccccc1 Amb21617903 [0,0,0,0,1,0|2,0,0]=3 471 B11R1.12 CO[C@H](CBr)c1ccccc1 Amb24760200 [0,0,0,0,1,0|2,0,0]=3 472 B11R1.12 CO\C(=C\Cl)\c1ccccc1 Amb24710342 [0,0,0,0,1,0|2,0,1]=4 473 B11R1.12 CSC(C=O)c1ccccc1 Amb18646623 [0,0,0,0,1,0|2,1,0]=4 474 B11R1.12 CSC(CCl)c1ccccc1 Amb25701729 [0,0,0,0,1,0|2,1,0]=4 475 B11R1.12 CSC(CN)c1ccccc1 Amb18979448 [0,0,0,0,1,0|2,1,0]=4 476 B11R1.12 CSC(CO)c1ccccc1 Amb25854289 [0,0,0,0,1,0|2,1,0]=4 477 B11R1.12 NCC(c1ccccc1)NC Amb10879686 [0,0,0,0,1,0|3,0,0]=4 478 B11R1.12 NCC(c1ccccc1)OC Amb10609834 [0,0,0,0,1,0|2,0,0]=3 479 B11R1.12 OC[C@H](c1ccccc1)OC Amb10807423 [0,0,0,0,1,0|2,0,0]=3 480 B11R1.84 CCC(Cc1c[s]cc1)NC Amb19009254 [0,0,0,0,1,0|3,0,0]=4 481 B11R1.84 CCC(Cc1ccc[s]1)NC Amb18305137 [0,0,0,0,1,0|3,0,0]=4 482 B11R1.84 CNC(Cc1c[nH]cc1)CC Amb18224328 [0,0,0,0,1,0|3,0,0]=4 483 B11R1.84 COC(Cc1cco[n]1)OC Amb24763022 [0,0,0,0,1,0|2,0,0]=3 484 B13R1.417 CCC(C#N)NCc1ccccc1 Amb19007409 [0,0,0,0,0,1|3,0,0]=4 485 B13R1.417 CCC(C#N)OCc1ccccc1 Amb18804358 [0,0,0,0,0,1|3,0,0]=4 486 B13R1.417 CCC(C=O)OCc1ccccc1 Amb18128222 [0,0,0,0,0,1|3,0,0]=4 487 B13R1.417 CCC(CC)NCc1ccccc1 Amb22587066 [0,0,0,0,0,1|2,0,0]=3 488 B13R1.417 CCC(CCl)NCc1ccccc1 Amb25051534 [0,0,0,0,0,1|3,0,0]=4 489 B13R1.417 CCC(CF)NCc1ccccc1 Amb25703855 [0,0,0,0,0,1|3,0,0]=4 490 B13R1.417 CCC(CN)OCc1ccccc1 Amb18184547 [0,0,0,0,0,1|3,0,0]=4 491 B13R1.417 CCN(CC)OCc1ccccc1 Amb25802634 [0,0,0,0,0,1|3,0,0]=4 492 B13R1.417 CCN(CCc1ccccc1)CC Amb10554394 [0,0,0,0,0,1|3,0,0]=4 493 B13R1.417 CCN(CCc1ccccc1)CC Amb22362617 [0,0,0,0,0,1|3,0,0]=4 494 B13R1.417 CC[C@@H](CO)NCc1ccccc1 Amb24107894 [0,0,0,0,0,1|3,0,0]=4 495 B13R1.417 CC[C@@H](CO)OCc1ccccc1 Amb24495401 [0,0,0,0,0,1|3,0,0]=4 496 B13R1.417 CC[C@H](CN)NCc1ccccc1 Amb24662101 [0,0,0,0,0,1|3,0,0]=4 497 B13R1.417 CC[C@H](CO)OCc1ccccc1 Amb24495048 [0,0,0,0,0,1|3,0,0]=4 498 B13R1.417 CNC(C#N)COc1ccccc1 Amb17076620 [0,0,0,0,0,1|3,0,0]=4 499 B13R1.417 CNC(NC)=NCc1ccccc1 Amb24074079 [0,0,0,0,0,1|2,0,1]=4 500 B13R1.417 CNC(NCc1ccccc1)=NC Amb20627624 [0,0,0,0,0,1|2,0,1]=4 501 B13R1.417 CN\C(=N\Cc1ccccc1)\SC Amb24552832 [0,0,0,0,0,1|1,1,1]=4 502 B13R1.417 CN\C(\CCc1ccccc1)=N/C Amb25155427 [0,0,0,0,0,1|2,0,1]=4 503 B13R1.417 COC(=CCc1ccccc1)OC Amb22546894 [0,0,0,0,0,1|0,0,1]=2 504 B13R1.417 COC(CO)C#Cc1ccccc1 Amb25725420 [0,0,0,0,0,1|2,0,1]=4 505 B13R1.417 COC(COc1ccccc1)OC Amb22348055 [0,0,0,0,0,1|0,0,0]=1 506 B13R1.417 COC(CSc1cccc[n]1)OC Amb24101917 [0,0,0,0,0,1|1,0,0]=2 507 B13R1.417 CON(CO)OCc1ccccc1 Amb25788076 [0,0,0,0,0,1|3,0,0]=4 508 B13R1.417 CO\C(\NCc1ccccc1)=N\O Amb25261904 [0,0,0,0,0,1|2,0,1]=4 509 B13R1.417 C\N=C(/NCc1ccccc1)\OC Amb25799514 [0,0,0,0,0,1|1,0,1]=3 510 B10R1.17 Br[Mg]CCc1ccccc1 Amb22000585 [2,0,0,0,0,0|2,0,0]=4 511 B10R1.17 Br[Zn]CCc1ccccc1 Amb22000434 [2,0,0,0,0,0|2,0,0]=4 512 B10R1.17 CCCCc1ccccn1 Amb10574134 [2,0,0,0,0,0|2,0,0]=4 513 B10R1.17 CCCCc1ccncc1 Amb10555008 [2,0,0,0,0,0|2,0,0]=4 514 B10R1.17 CCCNc1ccccc1 Amb22284540 [2,0,0,0,0,0|2,0,0]=4 515 B10R1.17 CNCCc1cc[n]cc1 Amb19958269 [2,0,0,0,0,0|2,0,0]=4 516 B10R1.17 CNCCc1cccc[n]1 Amb22167479 [2,0,0,0,0,0|2,0,0]=4 517 B10R1.17 CNCCc1ccccc1 Amb1132990 [2,0,0,0,0,0|1,0,0]=3 518 B10R1.17 CNCCc1ccccc1 Amb2119452 [2,0,0,0,0,0|1,0,0]=3 519 B10R1.17 CNCCc1ccccn1 Amb1651624 [2,0,0,0,0,0|2,0,0]=4 520 B10R1.17 CNCCc1cccnc1 Amb10068754 [2,0,0,0,0,0|2,0,0]=4 521 B10R1.17 CNCCc1cccnc1 Amb10576212 [2,0,0,0,0,0|2,0,0]=4 522 B10R1.17 CNCCc1cccnc1 Amb10576410 [2,0,0,0,0,0|2,0,0]=4 523 B10R1.17 CNCCc1ccncc1 Amb10071184 [2,0,0,0,0,0|2,0,0]=4 524 B10R1.17 CNNCc1ccccc1 Amb10553073 [2,0,0,0,0,0|2,0,0]=4 525 B10R1.17 CNOCc1ccccc1 Amb22059601 [2,0,0,0,0,0|2,0,0]=4 526 B10R1.17 COCCN1CC=CC=C1 Amb24064033 [2,0,0,0,0,0|1,0,1]=4 527 B10R1.17 COCC[n+]1ccccc1 Amb10554471 [2,0,0,0,0,0|1,0,0]=3 528 B10R1.17 COCCc1cccc[n]1 Amb24089662 [2,0,0,0,0,0|1,0,0]=3 529 B10R1.17 COCNc1ccccc1 Amb10565397 [2,0,0,0,0,0|1,0,0]=3 530 B10R1.17 COCOc1cccnc1 Amb10561791 [2,0,0,0,0,0|2,0,0]=4 531 B10R1.17 COCSc1cc[n]cc1 Amb25185189 [2,0,0,0,0,0|2,0,0]=4 532 B10R1.17 COCSc1cccc[n]1 Amb24482838 [2,0,0,0,0,0|2,0,0]=4 533 B10R1.17 CON=Cc1ccccc1 Amb22896936 [2,0,0,0,0,0|1,0,1]=4 534 B10R1.17 CONCc1c[n]ccc1 Amb24062508 [2,0,0,0,0,0|2,0,0]=4 535 B10R1.17 CONCc1cc[n]cc1 Amb25046027 [2,0,0,0,0,0|2,0,0]=4 536 B10R1.17 CONCc1cccc[n]1 Amb25723329 [2,0,0,0,0,0|2,0,0]=4 537 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [2,0,0,0,0,0|0,0,2]=4 538 B10R1.17 CO\N=C\c1ccccc1 Amb25762975 [2,0,0,0,0,0|1,0,1]=4 539 B10R1.17 CSCCc1cccc[n]1 Amb24552366 [2,0,0,0,0,0|1,1,0]=4 540 B10R1.17 CSCCc1ccncc1 Amb1864660 [2,0,0,0,0,0|1,1,0]=4 541 B10R1.17 CSCOc1ccccc1 Amb22231357 [2,0,0,0,0,0|1,1,0]=4 542 B10R1.17 CSCSc1ccccc1 Amb25162526 [2,0,0,0,0,0|1,1,0]=4 543 B10R1.17 CSSCc1ccccc1 Amb22230274 [2,0,0,0,0,0|1,1,0]=4 544 B10R1.17 Cl[Mg]CCc1ccccc1 Amb22338391 [2,0,0,0,0,0|2,0,0]=4 545 B10R1.17 FCCCc1ccccc1 Amb25737014 [2,0,0,0,0,0|2,0,0]=4 546 B10R1.17 ICCCc1ccccc1 Amb10605506 [2,0,0,0,0,0|2,0,0]=4 547 B10R1.17 NCCCc1ccccc1 Amb22490482 [2,0,0,0,0,0|2,0,0]=4 548 B10R1.17 NNCCc1ccccc1 Amb10608987 [2,0,0,0,0,0|2,0,0]=4 549 B10R1.17 NNCCc1ccccc1 Amb1117029 [2,0,0,0,0,0|2,0,0]=4 550 B10R1.17 NOCCc1c[n]ccc1 Amb25779030 [2,0,0,0,0,0|2,0,0]=4 551 B10R1.17 NOCCc1ccccn1 Amb17231907 [2,0,0,0,0,0|2,0,0]=4 552 B10R1.17 NOCCc1ccncc1 Amb17231908 [2,0,0,0,0,0|2,0,0]=4 553 B10R1.17 ONCCc1ccccc1 Amb24117032 [2,0,0,0,0,0|2,0,0]=4 554 B10R1.17 [C-]#[N+]CCc1ccccc1 Amb1981030 [2,0,0,0,0,0|1,0,1]=4 555 B10R1.17 [SiH3]CCCc1ccccc1 Amb22347053 [2,0,0,0,0,0|1,1,0]=4 556 B10R1.18 CC(Br)Cc1cc[n]cc1 Amb25208255 [2,0,0,0,0,0|2,0,0]=4 557 B10R1.18 CC(C)Cc1c[n]ccc1 Amb22043313 [2,0,0,0,0,0|1,0,0]=3 558 B10R1.18 CC(C)Cc1cc[n]c[n]1 Amb24070388 [2,0,0,0,0,0|2,0,0]=4 559 B10R1.18 CC(C)Cc1cc[n]cc1 Amb22353758 [2,0,0,0,0,0|1,0,0]=3 560 B10R1.18 CC(C)Oc1c[n]ccc1 Amb22898896 [2,0,0,0,0,0|2,0,0]=4 561 B10R1.18 CC(C)Oc1cc[n]cc1 Amb20242496 [2,0,0,0,0,0|2,0,0]=4 562 B10R1.18 CC(C)Oc1cccc[n]1 Amb22304705 [2,0,0,0,0,0|2,0,0]=4 563 B10R1.18 CC(C)Sc1cc[n]cc1 Amb24380560 [2,0,0,0,0,0|2,0,0]=4 564 B10R1.18 CC(C)Sc1cccc[n]1 Amb25130337 [2,0,0,0,0,0|2,0,0]=4 565 B10R1.18 CC(Cc1ccccc1)N Amb17608372 [2,0,0,0,0,0|1,0,0]=3 566 B10R1.18 CC(Cc1ccccn1)C Amb15691003 [2,0,0,0,0,0|1,0,0]=3 567 B10R1.18 CC(Cc1ccccn1)Cl Amb17477796 [2,0,0,0,0,0|2,0,0]=4 568 B10R1.18 CC(Cc1ccccn1)N Amb1995149 [2,0,0,0,0,0|2,0,0]=4 569 B10R1.18 CC(Cc1ccccn1)O Amb1995148 [2,0,0,0,0,0|1,0,0]=3 570 B10R1.18 CC(Cc1cccnc1)Cl Amb17477798 [2,0,0,0,0,0|2,0,0]=4 571 B10R1.18 CC(Cc1cccnc1)O Amb17477790 [2,0,0,0,0,0|1,0,0]=3 572 B10R1.18 CC(Cc1ccncc1)Cl Amb17477797 [2,0,0,0,0,0|2,0,0]=4 573 B10R1.18 CC(Cc1ccncc1)O Amb17477789 [2,0,0,0,0,0|1,0,0]=3 574 B10R1.18 CC(Cc1cnccn1)O Amb1995175 [2,0,0,0,0,0|2,0,0]=4 575 B10R1.18 CC(Cl)Cc1ccccc1 Amb18787554 [2,0,0,0,0,0|1,0,0]=3 576 B10R1.18 CC(Cl)Oc1ccccc1 Amb17689404 [2,0,0,0,0,0|2,0,0]=4 577 B10R1.18 CC(Cl)Sc1ccccc1 Amb17673697 [2,0,0,0,0,0|2,0,0]=4 578 B10R1.18 CC(I)Cc1ccccc1 Amb24616287 [2,0,0,0,0,0|1,0,0]=3 579 B10R1.18 CC(N)Cc1c[n]ccc1 Amb21972219 [2,0,0,0,0,0|2,0,0]=4 580 B10R1.18 CC(N)Cc1cc[n]cc1 Amb21972220 [2,0,0,0,0,0|2,0,0]=4 581 B10R1.18 CC(N)Cc1ccccc1 Amb22346639 [2,0,0,0,0,0|1,0,0]=3 582 B10R1.18 CC(N)Cc1ccccc1 Amb22352196 [2,0,0,0,0,0|1,0,0]=3 583 B10R1.18 CC(N)Oc1ccccc1 Amb25830517 [2,0,0,0,0,0|2,0,0]=4 584 B10R1.18 CC(Nc1ccccn1)C Amb1104052 [2,0,0,0,0,0|2,0,0]=4 585 B10R1.18 CC(Nc1cccnc1)C Amb16231494 [2,0,0,0,0,0|2,0,0]=4 586 B10R1.18 CC(Nc1cccnc1)C Amb2382996 [2,0,0,0,0,0|2,0,0]=4 587 B10R1.18 CC(Nc1ccncc1)C Amb16231495 [2,0,0,0,0,0|2,0,0]=4 588 B10R1.18 CC(Nc1ccncc1)C Amb2383009 [2,0,0,0,0,0|2,0,0]=4 589 B10R1.18 CC(O)Nc1cccc[n]1 Amb24478972 [2,0,0,0,0,0|2,0,0]=4 590 B10R1.18 CC(O)Sc1ccccc1 Amb25045636 [2,0,0,0,0,0|1,0,0]=3 591 B10R1.18 CC(S)Cc1ccccc1 Amb18177239 [2,0,0,0,0,0|0,1,0]=3 592 B10R1.18 CN(C)Cc1cc[n]cc1 Amb20247602 [2,0,0,0,0,0|2,0,0]=4 593 B10R1.18 CN(C)Cc1ccccc1 Amb22359464 [2,0,0,0,0,0|1,0,0]=3 594 B10R1.18 CN(C)Nc1ccccc1 Amb25810299 [2,0,0,0,0,0|2,0,0]=4 595 B10R1.18 CS(=O)Cc1ccccc1 Amb10565296 [2,0,0,0,0,0|1,0,1]=4 596 B10R1.18 C[C@@H](Cc1ccccc1)O Amb10068519 [2,0,0,0,0,0|0,0,0]=2 597 B10R1.18 C[C@@H](N)Cc1ccccc1 Amb19130510 [2,0,0,0,0,0|1,0,0]=3 598 B10R1.18 C[C@@H](N)Cc1ccccc1 Amb22745694 [2,0,0,0,0,0|1,0,0]=3 599 B10R1.18 C[C@@H](O)Cc1c[n]ccc1 Amb22896922 [2,0,0,0,0,0|1,0,0]=3 600 B10R1.18 C[C@@H](O)Cc1ccccc1 Amb17938083 [2,0,0,0,0,0|0,0,0]=2 601 B10R1.18 C[C@H](Cc1ccccc1)N Amb17608368 [2,0,0,0,0,0|1,0,0]=3 602 B10R1.18 C[C@H](N)Cc1cccc[n]1 Amb24451425 [2,0,0,0,0,0|2,0,0]=4 603 B10R1.18 C[SiH](C)Cc1ccccc1 Amb19893554 [2,0,0,0,0,0|0,1,0]=3 604 B10R1.18 C[Si](C)Cc1ccccc1 Amb24527863 [2,0,0,0,0,0|0,1,0]=3 605 B10R1.18 C\C(\O)=C/c1ccccc1 Amb24095309 [2,0,0,0,0,0|0,0,2]=4 606 B10R1.18 ClC(Cl)Cc1ccccc1 Amb25783924 [2,0,0,0,0,0|2,0,0]=4 607 B10R1.18 FC(F)Cc1ccccc1 Amb19894546 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.18 NC(O)Cc1ccccc1 Amb25348475 [2,0,0,0,0,0|1,0,0]=3 609 B10R1.18 N[C@@H](O)Cc1ccccc1 Amb25790547 [2,0,0,0,0,0|1,0,0]=3 610 B10R1.18 N[C@H](O)Cc1ccccc1 Amb24444592 [2,0,0,0,0,0|1,0,0]=3 611 B10R1.18 OB(Cc1ccccc1)O Amb10071580 [2,0,0,0,0,0|1,0,0]=3 612 B10R1.18 OB(O)Cc1c[n]ccc1 Amb24699248 [2,0,0,0,0,0|2,0,0]=4 613 B10R1.18 OB(O)Cc1cc[n]cc1 Amb24105357 [2,0,0,0,0,0|2,0,0]=4 614 B10R1.18 OC(=O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22353637 [2,0,0,0,0,0|0,0,2]=4 615 B10R1.18 OC(=O)[13CH2]c1ccccc1 Amb22351854 [2,0,0,0,0,0|0,0,2]=4 616 B10R1.18 OC(=S)Cc1ccccc1 Amb22262974 [2,0,0,0,0,0|0,1,1]=4 617 B10R1.18 OC(F)Cc1ccccc1 Amb25147731 [2,0,0,0,0,0|1,0,0]=3 618 B10R1.18 OC(O)C[n+]1ccccc1 Amb25149726 [2,0,0,0,0,0|1,0,0]=3 619 B10R1.18 OC(O)Cc1ccccc1 Amb24639712 [2,0,0,0,0,0|0,0,0]=2 620 B10R1.18 OP(=O)Cc1ccccc1 Amb24617740 [2,0,0,0,0,0|1,0,1]=4 621 B10R1.18 O[13C](=O)Cc1ccccc1 Amb22363120 [2,0,0,0,0,0|0,0,2]=4 622 B10R1.18 O[13C](=O)[13CH2]c1ccccc1 Amb22351754 [2,0,0,0,0,0|0,0,2]=4 623 B10R1.18 O[14C](=O)Cc1ccccc1 Amb22337596 [2,0,0,0,0,0|0,0,2]=4 624 B12R1.32 BrCCC(Br)Cc1ccccc1 Amb23456171 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.32 C#CCC(O)Cc1ccccc1 Amb18800362 [1,1,0,0,0,0|1,0,1]=4 626 B12R1.32 C#CC[C@@H](O)Cc1ccccc1 Amb24497745 [1,1,0,0,0,0|1,0,1]=4 627 B12R1.32 C=C=CC(O)Cc1ccccc1 Amb24420844 [1,1,0,0,0,0|1,0,1]=4 628 B12R1.32 C=C=C[C@H](O)Cc1ccccc1 Amb25158000 [1,1,0,0,0,0|1,0,1]=4 629 B12R1.32 CC#CC(C)Nc1ccccc1 Amb25040061 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.32 CC#CC(N)Cc1ccccc1 Amb24417700 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.32 CC#C[C@@H](C)Oc1ccccc1 Amb24068913 [1,1,0,0,0,0|2,0,0]=4 632 B12R1.32 CC(Cc1ccccc1)N=C=O Amb17103991 [1,1,0,0,0,0|1,0,1]=4 633 B12R1.32 CC(Cc1ccccc1)N=C=S Amb18790890 [1,1,0,0,0,0|1,0,1]=4 634 B12R1.32 CC(Cc1ccccc1)N=[N+]=[N-] Amb25249262 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.32 CC(Cc1ccccc1)NC#N Amb18177707 [1,1,0,0,0,0|1,0,1]=4 636 B12R1.32 CC(Cc1ccccc1)NC=S Amb24635878 [1,1,0,0,0,0|1,0,1]=4 637 B12R1.32 CCCC(C)Cc1c[n]ccc1 Amb24094032 [1,1,0,0,0,0|2,0,0]=4 638 B12R1.32 CCCC(C)Cc1ccccc1 Amb22224920 [1,1,0,0,0,0|1,0,0]=3 639 B12R1.32 CCCC(Cc1ccccc1)[NH3+] Amb10560244 [1,1,0,0,0,0|2,0,0]=4 640 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [1,1,0,0,0,0|1,0,0]=3 642 B12R1.32 CCNC(C)Cc1ccccc1 Amb22055190 [1,1,0,0,0,0|1,0,0]=3 643 B12R1.32 CCNC(Cc1ccccn1)C Amb1995151 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.32 CCO/C(C)=N/c1ccccc1 Amb17939699 [1,1,0,0,0,0|1,0,1]=4 645 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [1,1,0,0,0,0|1,0,1]=4 646 B12R1.32 CCSC(C)Nc1ccccc1 Amb24585828 [1,1,0,0,0,0|1,1,0]=4 647 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.32 CN(CCF)Cc1ccccc1 Amb25318241 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.32 CN(CCI)Cc1ccccc1 Amb25235494 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.32 CNCC(C)Oc1ccccc1 Amb19025044 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.32 CNCC(Cc1ccccc1)O Amb17193901 [1,1,0,0,0,0|1,0,0]=3 653 B12R1.32 CNCC(Cc1cccnc1)O Amb17232605 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.32 CNCC(N)Cc1ccccc1 Amb19009730 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.32 COCC(C)Nc1c[n]ccc1 Amb19024143 [1,1,0,0,0,0|2,0,0]=4 656 B12R1.32 COCC(C)Nc1ccccc1 Amb19024307 [1,1,0,0,0,0|1,0,0]=3 657 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [1,1,0,0,0,0|1,0,0]=3 658 B12R1.32 COC[C@@H](C)Nc1cc[n]cc1 Amb25220804 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.32 CONC(=O)Cc1ccccc1 Amb16969924 [1,1,0,0,0,0|0,0,2]=4 660 B12R1.32 CSCC(C)Nc1ccccc1 Amb25674366 [1,1,0,0,0,0|1,1,0]=4 661 B12R1.32 C[C@@H](CCO)Nc1ccccc1 Amb25124401 [1,1,0,0,0,0|2,0,0]=4 662 B12R1.32 C[C@@H](Cc1ccccc1)N=[N+]=[N-] Amb24356215 [1,1,0,0,0,0|2,0,0]=4 663 B12R1.32 C[C@@H](Cc1ccccc1)NC=O Amb24637855 [1,1,0,0,0,0|1,0,1]=4 664 B12R1.32 C[C@H](CCO)Nc1ccccc1 Amb25324766 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.32 C[C@H](Cc1ccccc1)N=[N+]=[N-] Amb25667629 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.32 C\C(\Cc1cc[n]cc1)=N\OC Amb25763716 [1,1,0,0,0,0|1,0,1]=4 667 B12R1.32 C\C(\Cc1ccccc1)=C\CN Amb25669583 [1,1,0,0,0,0|1,0,1]=4 668 B12R1.32 C\C=C\C(N)Cc1ccccc1 Amb25142747 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.32 C\C=C\C(O)Cc1cccc[n]1 Amb25221506 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.32 C\C=C\[C@@H](O)Cc1ccccc1 Amb25741490 [1,1,0,0,0,0|1,0,0]=3 671 B12R1.32 C\C=C\[C@H](O)Cc1ccccc1 Amb24353018 [1,1,0,0,0,0|1,0,0]=3 672 B12R1.32 N#CC[C@H](O)Cc1ccccc1 Amb24386953 [1,1,0,0,0,0|1,0,1]=4 673 B12R1.32 NCCC(Cc1ccccc1)C Amb17232439 [1,1,0,0,0,0|1,0,0]=3 674 B12R1.32 NCCC(Cc1ccccc1)O Amb17232552 [1,1,0,0,0,0|1,0,0]=3 675 B12R1.32 NCCC(O)Cc1c[n]ccc1 Amb18827678 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.32 NCCC(O)Cc1cccc[n]1 Amb18827677 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.32 NCCC(Oc1ccccc1)C Amb17232556 [1,1,0,0,0,0|2,0,0]=4 678 B12R1.32 OC(CCCl)Nc1ccccc1 Amb24635759 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.32 OC(Cc1ccccc1)C#CCl Amb25156729 [1,1,0,0,0,0|1,0,1]=4 680 B12R1.32 OC(Cc1ccccc1)CC#N Amb17232368 [1,1,0,0,0,0|1,0,1]=4 681 B12R1.32 OCCC(Cc1ccccc1)C Amb17232486 [1,1,0,0,0,0|1,0,0]=3 682 B12R1.32 OCCC(O)Cc1ccccc1 Amb22491209 [1,1,0,0,0,0|1,0,0]=3 683 B12R1.32 OCCC(O)Nc1ccccc1 Amb25060097 [1,1,0,0,0,0|2,0,0]=4 684 B12R1.32 OCCC(Oc1ccccc1)C Amb17232598 [1,1,0,0,0,0|2,0,0]=4 685 B12R1.32 OCCN(O)Cc1ccccc1 Amb25284514 [1,1,0,0,0,0|2,0,0]=4 686 B12R1.32 O\N=C\C(O)Cc1ccccc1 Amb25136306 [1,1,0,0,0,0|2,0,0]=4 687 B12R1.32 SCCN(Cc1ccccc1)C Amb13881720 [1,1,0,0,0,0|2,0,0]=4 688 B12R1.34 C#C[C@@H](O)[C@@H](O)c1ccccc1 Amb25138509 [1,1,0,0,0,0|1,0,1]=4 689 B12R1.34 C#C[C@H](O)[C@@H](O)c1ccccc1 Amb24748425 [1,1,0,0,0,0|1,0,1]=4 690 B12R1.34 C=CC(C(c1ccccc1)O)C Amb10567365 [1,1,0,0,0,0|1,0,1]=4 691 B12R1.34 C=CC(O)C(N)c1ccccc1 Amb22831164 [1,1,0,0,0,0|1,0,1]=4 692 B12R1.34 C=CC(O)C(O)c1ccccc1 Amb24704468 [1,1,0,0,0,0|1,0,1]=4 693 B12R1.34 C=CC(O)[C@H](N)c1ccccc1 Amb24468873 [1,1,0,0,0,0|1,0,1]=4 694 B12R1.34 C=C[C@@H](O)[C@@H](N)c1ccccc1 Amb25375938 [1,1,0,0,0,0|1,0,1]=4 695 B12R1.34 C=C[C@@H](O)[C@@H](O)c1ccccc1 Amb25279737 [1,1,0,0,0,0|1,0,1]=4 696 B12R1.34 C=C[C@H](O)[C@@H](O)c1ccccc1 Amb25859224 [1,1,0,0,0,0|1,0,1]=4 697 B12R1.34 C=C[C@H](O)[C@H](O)c1ccccc1 Amb25058473 [1,1,0,0,0,0|1,0,1]=4 698 B12R1.34 CC(C#C)C(O)c1ccccc1 Amb25145323 [1,1,0,0,0,0|1,0,1]=4 699 B12R1.34 CC(C(Br)CC)c1ccccc1 Amb25805104 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.34 CC(C(C)C=O)c1ccccc1 Amb24065337 [1,1,0,0,0,0|2,0,0]=4 701 B12R1.34 CC(C(C)CN)c1ccccc1 Amb18829124 [1,1,0,0,0,0|2,0,0]=4 702 B12R1.34 CC(C(C)NN)c1ccccc1 Amb24488638 [1,1,0,0,0,0|2,0,0]=4 703 B12R1.34 CC(C(N)CC)c1ccccc1 Amb18829127 [1,1,0,0,0,0|2,0,0]=4 704 B12R1.34 CC(C(N)CC)c1ccccc1 Amb20623710 [1,1,0,0,0,0|2,0,0]=4 705 B12R1.34 CC(C(O)C#C)c1ccccc1 Amb25700248 [1,1,0,0,0,0|1,0,1]=4 706 B12R1.34 CC(C(O)C#N)c1ccccc1 Amb18788076 [1,1,0,0,0,0|2,0,0]=4 707 B12R1.34 CC(C(O)C=C)c1ccccc1 Amb25310831 [1,1,0,0,0,0|1,0,1]=4 708 B12R1.34 CC(C(O)CC)c1cccc[n]1 Amb24367087 [1,1,0,0,0,0|2,0,0]=4 709 B12R1.34 CC(CC)C(Br)c1ccccc1 Amb24618999 [1,1,0,0,0,0|1,0,0]=3 710 B12R1.34 CC(CC)C(Cl)c1c[n]ccc1 Amb25156869 [1,1,0,0,0,0|2,0,0]=4 711 B12R1.34 CC(CC)C(Cl)c1ccccc1 Amb19057046 [1,1,0,0,0,0|1,0,0]=3 712 B12R1.34 CC(CC)C(N)c1cc[n]cc1 Amb18828651 [1,1,0,0,0,0|2,0,0]=4 713 B12R1.34 CC(CC)C(N)c1cccc[n]1 Amb25674376 [1,1,0,0,0,0|2,0,0]=4 714 B12R1.34 CC(CC)C(O)c1c[n]ccc1 Amb24665088 [1,1,0,0,0,0|2,0,0]=4 715 B12R1.34 CC(CC)C(O)c1cc[n]cc1 Amb24446286 [1,1,0,0,0,0|2,0,0]=4 716 B12R1.34 CC(CC)C(O)c1cccc[n]1 Amb24437193 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.34 CC(CC)C(O)c1ccccc1 Amb18792585 [1,1,0,0,0,0|1,0,0]=3 718 B12R1.34 CC(CC)[C@@H](N)c1c[n]ccc1 Amb25201730 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.34 CC(CC)[C@@H](N)c1ccccc1 Amb23438852 [1,1,0,0,0,0|1,0,0]=3 720 B12R1.34 CC(CC)[C@@H](O)c1ccccc1 Amb25158043 [1,1,0,0,0,0|1,0,0]=3 721 B12R1.34 CC(CN)C(O)c1ccccc1 Amb18646366 [1,1,0,0,0,0|2,0,0]=4 722 B12R1.34 CC(CO)C(N)c1ccccc1 Amb18646383 [1,1,0,0,0,0|2,0,0]=4 723 B12R1.34 CC(CO)C(O)c1ccccc1 Amb25220934 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.34 CC(CO)[C@@H](O)c1ccccc1 Amb25832639 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.34 CC(NC)C(N)c1ccccc1 Amb24652517 [1,1,0,0,0,0|1,0,0]=3 726 B12R1.34 CC(NC)C(O)c1c[n]ccc1 Amb24728174 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.34 CC(NC)C(O)c1ccccc1 Amb20246611 [1,1,0,0,0,0|1,0,0]=3 728 B12R1.34 CC(NC)C(O)c1ccccc1 Amb22489693 [1,1,0,0,0,0|1,0,0]=3 729 B12R1.34 CC(NC)C(O)c1ccccc1 Amb22729748 [1,1,0,0,0,0|1,0,0]=3 730 B12R1.34 CC(OC)C(Cl)c1ccccc1 Amb24391584 [1,1,0,0,0,0|0,0,0]=2 731 B12R1.34 CC(OC)C(N)c1c[n]cc[n]1 Amb24382961 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.34 CC(OC)C(N)c1c[n]ccc1 Amb25307005 [1,1,0,0,0,0|1,0,0]=3 733 B12R1.34 CC(OC)C(O)c1c[n]c[n]c1 Amb24720027 [1,1,0,0,0,0|2,0,0]=4 734 B12R1.34 CC(OC)C(O)c1c[n]ccc1 Amb25847380 [1,1,0,0,0,0|1,0,0]=3 735 B12R1.34 CC(OC)C(O)c1ccccc1 Amb18801037 [1,1,0,0,0,0|0,0,0]=2 736 B12R1.34 CC(SC)C(N)c1ccccc1 Amb18648548 [1,1,0,0,0,0|0,1,0]=3 737 B12R1.34 CC(SC)[C@H](O)c1ccccc1 Amb24648340 [1,1,0,0,0,0|0,1,0]=3 738 B12R1.34 CC([NH2+]C)C(O)c1ccccc1 Amb22334155 [1,1,0,0,0,0|1,0,0]=3 739 B12R1.34 CCC(C)C(=C)c1ccccc1 Amb24598173 [1,1,0,0,0,0|1,0,1]=4 740 B12R1.34 CCC(C)N(C)c1ccccc1 Amb24525678 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.34 CCC(Cl)C(Cl)c1ccccc1 Amb25039087 [1,1,0,0,0,0|2,0,0]=4 742 B12R1.34 CCC(F)C(O)c1ccccc1 Amb25158096 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.34 CCC(N)C(N)c1ccccc1 Amb25765179 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.34 CCC(N)C(O)c1ccccc1 Amb19373101 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.34 CCC(O)C(=O)c1ccccc1 Amb18800792 [1,1,0,0,0,0|1,0,1]=4 746 B12R1.34 CCC(O)C(N)c1ccc[n]c1 Amb25343553 [1,1,0,0,0,0|2,0,0]=4 747 B12R1.34 CCC(O)C(O)c1c[n]ccc1 Amb25354449 [1,1,0,0,0,0|2,0,0]=4 748 B12R1.34 CCC(O)C(O)c1cc[n]cc1 Amb24524979 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.34 CCC(O)C(O)c1cccc[n]1 Amb25769439 [1,1,0,0,0,0|2,0,0]=4 750 B12R1.34 CC[C@@H](C)C(=O)c1ccccc1 Amb24724257 [1,1,0,0,0,0|1,0,1]=4 751 B12R1.34 CC[C@@H](N)[C@@H](N)c1ccccc1 Amb25151083 [1,1,0,0,0,0|2,0,0]=4 752 B12R1.34 CC[C@@H](N)[C@H](O)c1ccccc1 Amb25793544 [1,1,0,0,0,0|2,0,0]=4 753 B12R1.34 CC[C@@H](O)C(=O)c1ccccc1 Amb24691713 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.34 CC[C@@H](O)[C@@H](N)c1cc[n]cc1 Amb25251848 [1,1,0,0,0,0|2,0,0]=4 755 B12R1.34 CC[C@@H](O)[C@@H](N)c1ccc[n]c1 Amb24450166 [1,1,0,0,0,0|2,0,0]=4 756 B12R1.34 CC[C@@H](O)[C@@H](N)c1cccc[n]1 Amb25714479 [1,1,0,0,0,0|2,0,0]=4 757 B12R1.34 CC[C@@H](O)[C@@H](N)c1ccccc1 Amb25760697 [1,1,0,0,0,0|1,0,0]=3 758 B12R1.34 CC[C@@H](O)[C@H](N)c1ccccc1 Amb25301206 [1,1,0,0,0,0|1,0,0]=3 759 B12R1.34 CC[C@H](C)C(=O)c1ccccc1 Amb24378367 [1,1,0,0,0,0|1,0,1]=4 760 B12R1.34 CC[C@H](N)[C@@H](O)c1ccccc1 Amb24677748 [1,1,0,0,0,0|2,0,0]=4 761 B12R1.34 CC[C@H](O)C(=O)c1ccccc1 Amb25799278 [1,1,0,0,0,0|1,0,1]=4 762 B12R1.34 CC[C@H](O)[C@@H](O)c1ccccc1 Amb25280169 [1,1,0,0,0,0|1,0,0]=3 763 B12R1.34 CC[C@H](O)[C@H](N)c1cc[n]cc1 Amb25245868 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.34 CC[C@H](O)[C@H](N)c1cccc[n]1 Amb25159912 [1,1,0,0,0,0|2,0,0]=4 765 B12R1.34 CNC(C(=O)c1ccccc1)C Amb17616803 [1,1,0,0,0,0|1,0,1]=4 766 B12R1.34 CNC(C(c1ccccc1)Cl)C Amb17594731 [1,1,0,0,0,0|1,0,0]=3 767 B12R1.34 CNC(C)C(C)c1cc[n]cc1 Amb24366596 [1,1,0,0,0,0|2,0,0]=4 768 B12R1.34 CNC(C)C(C)c1cccc[n]1 Amb25751315 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.34 CNC(C)C(C)c1ccccc1 Amb18645936 [1,1,0,0,0,0|1,0,0]=3 770 B12R1.34 CN[C@@H](C)C(=C)c1ccccc1 Amb24758988 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.34 CN[C@@H](C)C(=O)c1ccccc1 Amb25312230 [1,1,0,0,0,0|1,0,1]=4 772 B12R1.34 CN[C@@H](C)[C@@H](C)c1ccccc1 Amb25674163 [1,1,0,0,0,0|1,0,0]=3 773 B12R1.34 CN[C@@H]([C@H](c1ccccc1)O)C Amb17613676 [1,1,0,0,0,0|1,0,0]=3 774 B12R1.34 CN[C@H](C)C(=C)c1ccccc1 Amb24697574 [1,1,0,0,0,0|1,0,1]=4 775 B12R1.34 CN[C@H](C)[C@@H](C)c1ccccc1 Amb24373827 [1,1,0,0,0,0|1,0,0]=3 776 B12R1.34 COC(=N)C(C)c1ccccc1 Amb24095998 [1,1,0,0,0,0|1,0,1]=4 777 B12R1.34 COC(=N)C(N)c1ccccc1 Amb22471822 [1,1,0,0,0,0|1,0,1]=4 778 B12R1.34 COC(=N)[C@H](O)c1ccccc1 Amb25832728 [1,1,0,0,0,0|1,0,1]=4 779 B12R1.34 COC(=O)C(F)c1ccccc1 Amb24179152 [1,1,0,0,0,0|0,0,2]=4 780 B12R1.34 COC(=O)C(O)c1ccccc1 Amb22500374 [1,1,0,0,0,0|0,0,2]=4 781 B12R1.34 COC(=O)C(c1ccccc1)C Amb16185437 [1,1,0,0,0,0|0,0,2]=4 782 B12R1.34 COC(=O)C(c1ccccc1)Cl Amb1212399 [1,1,0,0,0,0|0,0,2]=4 783 B12R1.34 COC(=O)C(c1ccccc1)N Amb1196141 [1,1,0,0,0,0|0,0,2]=4 784 B12R1.34 COC(=O)C(c1ccccc1)N Amb1911591 [1,1,0,0,0,0|0,0,2]=4 785 B12R1.34 COC(=O)[C@@H](C)c1ccccc1 Amb24704365 [1,1,0,0,0,0|0,0,2]=4 786 B12R1.34 COC(=O)[C@H](Cl)c1ccccc1 Amb25210876 [1,1,0,0,0,0|0,0,2]=4 787 B12R1.34 COC(=O)[C@H](N)c1ccccc1 Amb20240647 [1,1,0,0,0,0|0,0,2]=4 788 B12R1.34 COC(Br)C(=O)c1ccccc1 Amb25729950 [1,1,0,0,0,0|1,0,1]=4 789 B12R1.34 COC(C(c1ccccc1)N)C Amb1139088 [1,1,0,0,0,0|0,0,0]=2 790 B12R1.34 COC(C)C(=O)c1cccc[n]1 Amb24434623 [1,1,0,0,0,0|1,0,1]=4 791 B12R1.34 COC(Cl)C(Cl)c1ccccc1 Amb24539299 [1,1,0,0,0,0|1,0,0]=3 792 B12R1.34 COC(O)C(=O)c1ccccc1 Amb24416714 [1,1,0,0,0,0|0,0,1]=3 793 B12R1.34 COC(O)C(N)c1ccccc1 Amb24599253 [1,1,0,0,0,0|0,0,0]=2 794 B12R1.34 COP(=O)[C@@H](O)c1ccccc1 Amb25065497 [1,1,0,0,0,0|1,0,1]=4 795 B12R1.34 CO[C@@H](C)C(=O)c1cccc[n]1 Amb25035202 [1,1,0,0,0,0|1,0,1]=4 796 B12R1.34 CO[C@@H](C)C(=O)c1ccccc1 Amb25116501 [1,1,0,0,0,0|0,0,1]=3 797 B12R1.34 CO[C@H](N)[C@@H](O)c1ccccc1 Amb25322160 [1,1,0,0,0,0|1,0,0]=3 798 B12R1.34 CO[C@H](O)C(=O)c1ccccc1 Amb25735094 [1,1,0,0,0,0|0,0,1]=3 799 B12R1.34 CSC(C(=O)c1ccccc1)O Amb17594697 [1,1,0,0,0,0|0,1,1]=4 800 B12R1.34 CSC(C)C(=O)c1ccccc1 Amb18796322 [1,1,0,0,0,0|0,1,1]=4 801 B12R1.34 C[C@@H](C=C)[C@@H](N)c1ccccc1 Amb25837307 [1,1,0,0,0,0|1,0,1]=4 802 B12R1.34 C[C@@H](C=C)[C@@H](O)c1ccccc1 Amb25071531 [1,1,0,0,0,0|1,0,1]=4 803 B12R1.34 C[C@@H](C=C)[C@H](N)c1ccccc1 Amb25053412 [1,1,0,0,0,0|1,0,1]=4 804 B12R1.34 C[C@@H](C=C)[C@H](O)c1ccccc1 Amb25347648 [1,1,0,0,0,0|1,0,1]=4 805 B12R1.34 C[C@@H](C=O)C(O)c1ccccc1 Amb24341884 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.34 C[C@@H](C=O)[C@H](O)c1ccccc1 Amb25780663 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.34 C[C@@H](CN)[C@@H](N)c1ccccc1 Amb25738664 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.34 C[C@@H](CN)[C@@H](O)c1ccccc1 Amb24711275 [1,1,0,0,0,0|2,0,0]=4 809 B12R1.34 C[C@@H](CO)C(O)c1ccccc1 Amb25769383 [1,1,0,0,0,0|2,0,0]=4 810 B12R1.34 C[C@@H](CO)[C@@H](N)c1ccccc1 Amb25152441 [1,1,0,0,0,0|2,0,0]=4 811 B12R1.34 C[C@@H](CO)[C@@H](O)c1ccccc1 Amb24497744 [1,1,0,0,0,0|2,0,0]=4 812 B12R1.34 C[C@@H](CO)[C@H](N)c1ccccc1 Amb25320937 [1,1,0,0,0,0|2,0,0]=4 813 B12R1.34 C[C@@H](CO)[C@H](O)c1ccccc1 Amb24412993 [1,1,0,0,0,0|2,0,0]=4 814 B12R1.34 C[C@@H](NC)C(Cl)c1ccccc1 Amb25366190 [1,1,0,0,0,0|1,0,0]=3 815 B12R1.34 C[C@@H](NC)C(O)c1ccccc1 Amb25095866 [1,1,0,0,0,0|1,0,0]=3 816 B12R1.34 C[C@@H](NC)[C@@H](O)c1ccccc1 Amb22366967 [1,1,0,0,0,0|1,0,0]=3 817 B12R1.34 C[C@@H](NC)[C@@H](S)c1ccccc1 Amb25302304 [1,1,0,0,0,0|1,0,0]=3 818 B12R1.34 C[C@@H](NC)[C@H](F)c1ccccc1 Amb24367049 [1,1,0,0,0,0|1,0,0]=3 819 B12R1.34 C[C@@H](NC)[C@H](O)c1ccccc1 Amb19133732 [1,1,0,0,0,0|1,0,0]=3 820 B12R1.34 C[C@@H](OC)[C@@H](Cl)c1ccccc1 Amb25751354 [1,1,0,0,0,0|0,0,0]=2 821 B12R1.34 C[C@@H](OC)[C@@H](O)c1ccccc1 Amb24464720 [1,1,0,0,0,0|0,0,0]=2 822 B12R1.34 C[C@@H](SC)[C@@H](O)c1ccccc1 Amb25106008 [1,1,0,0,0,0|0,1,0]=3 823 B12R1.34 C[C@@H]([C@@H](O)C#N)c1ccccc1 Amb25099408 [1,1,0,0,0,0|2,0,0]=4 824 B12R1.34 C[C@@H]([C@@H](O)CF)c1ccccc1 Amb24372036 [1,1,0,0,0,0|2,0,0]=4 825 B12R1.34 C[C@@H]([C@@H](O)CO)c1ccccc1 Amb24662545 [1,1,0,0,0,0|2,0,0]=4 826 B12R1.34 C[C@@H]([C@H](O)CC)c1ccccc1 Amb25317557 [1,1,0,0,0,0|1,0,0]=3 827 B12R1.34 C[C@H](C=C)[C@H](O)c1ccccc1 Amb25246183 [1,1,0,0,0,0|1,0,1]=4 828 B12R1.34 C[C@H](C=O)[C@@H](O)c1ccccc1 Amb25255331 [1,1,0,0,0,0|2,0,0]=4 829 B12R1.34 C[C@H](CC)C(O)c1ccccc1 Amb24735208 [1,1,0,0,0,0|1,0,0]=3 830 B12R1.34 C[C@H](CC)[C@@H](O)c1ccccc1 Amb25047673 [1,1,0,0,0,0|1,0,0]=3 831 B12R1.34 C[C@H](CN)[C@@H](N)c1ccccc1 Amb25669594 [1,1,0,0,0,0|2,0,0]=4 832 B12R1.34 C[C@H](CN)[C@@H](O)c1ccccc1 Amb24710137 [1,1,0,0,0,0|2,0,0]=4 833 B12R1.34 C[C@H](CO)[C@@H](N)c1ccccc1 Amb24373854 [1,1,0,0,0,0|2,0,0]=4 834 B12R1.34 C[C@H](CO)[C@@H](O)c1ccccc1 Amb25687837 [1,1,0,0,0,0|2,0,0]=4 835 B12R1.34 C[C@H](CO)[C@H](O)c1ccccc1 Amb24448086 [1,1,0,0,0,0|2,0,0]=4 836 B12R1.34 C[C@H](NC)[C@@H](Cl)c1ccccc1 Amb24692816 [1,1,0,0,0,0|1,0,0]=3 837 B12R1.34 C[C@H](NC)[C@@H](S)c1ccccc1 Amb24453442 [1,1,0,0,0,0|1,0,0]=3 838 B12R1.34 C[C@H](NC)[C@H](N)c1ccccc1 Amb24739761 [1,1,0,0,0,0|1,0,0]=3 839 B12R1.34 C[C@H](NC)[C@H](O)c1ccccc1 Amb22351362 [1,1,0,0,0,0|1,0,0]=3 840 B12R1.34 C[C@H](NC)[C@H](S)c1ccccc1 Amb24727185 [1,1,0,0,0,0|1,0,0]=3 841 B12R1.34 C[C@H](NN)[C@H](O)c1ccccc1 Amb25346319 [1,1,0,0,0,0|2,0,0]=4 842 B12R1.34 C[C@H](NO)[C@H](O)c1ccccc1 Amb24475112 [1,1,0,0,0,0|2,0,0]=4 843 B12R1.34 C[C@H](OC)C(O)c1cccc[n]1 Amb25306303 [1,1,0,0,0,0|1,0,0]=3 844 B12R1.34 C[C@H](OC)[C@@H](Cl)c1ccccc1 Amb25274934 [1,1,0,0,0,0|0,0,0]=2 845 B12R1.34 C[C@H](OC)[C@H](O)c1cccc[n]1 Amb25832718 [1,1,0,0,0,0|1,0,0]=3 846 B12R1.34 C[C@H](OC)[C@H](O)c1ccccc1 Amb25106038 [1,1,0,0,0,0|0,0,0]=2 847 B12R1.34 C[C@H]([C@@H](O)NC)c1ccccc1 Amb25803440 [1,1,0,0,0,0|1,0,0]=3 848 B12R1.34 C[C@H]([C@H](N)CC)c1ccccc1 Amb25800098 [1,1,0,0,0,0|2,0,0]=4 849 B12R1.34 C[C@H]([C@H](O)C=C)c1ccccc1 Amb25097849 [1,1,0,0,0,0|1,0,1]=4 850 B12R1.34 C[C@H]([C@H](O)CO)c1ccccc1 Amb24735213 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.34 C\C(=N/C)\C(N)c1ccccc1 Amb24100399 [1,1,0,0,0,0|1,0,1]=4 852 B12R1.34 C\C(=N\C)\C(N)c1ccccc1 Amb24493500 [1,1,0,0,0,0|1,0,1]=4 853 B12R1.34 N#CC(O)C(F)c1ccccc1 Amb25320704 [1,1,0,0,0,0|2,0,0]=4 854 B12R1.34 N#CC(O)[C@@H](O)c1ccccc1 Amb24353058 [1,1,0,0,0,0|2,0,0]=4 855 B12R1.34 N#C[C@@H](O)[C@H](O)c1ccccc1 Amb25157844 [1,1,0,0,0,0|2,0,0]=4 856 B12R1.34 N#C[C@H](O)[C@@H](F)c1ccccc1 Amb25157415 [1,1,0,0,0,0|2,0,0]=4 857 B12R1.34 N#C[C@H](O)[C@@H](O)c1ccccc1 Amb24705594 [1,1,0,0,0,0|2,0,0]=4 858 B12R1.34 N#C[C@H](O)[C@H](O)c1ccccc1 Amb25285601 [1,1,0,0,0,0|2,0,0]=4 859 B12R1.34 NC(C(O)C#N)c1ccccc1 Amb24713669 [1,1,0,0,0,0|2,0,0]=4 860 B12R1.34 NC(C(O)CO)c1ccccc1 Amb18646773 [1,1,0,0,0,0|2,0,0]=4 861 B12R1.34 NCC(C(c1ccccc1)C)O Amb17232553 [1,1,0,0,0,0|2,0,0]=4 862 B12R1.34 NCC(O)C(O)c1ccccc1 Amb19148004 [1,1,0,0,0,0|2,0,0]=4 863 B12R1.34 NC[C@@H](O)[C@H](O)c1ccccc1 Amb24401596 [1,1,0,0,0,0|2,0,0]=4 864 B12R1.34 NC[C@H](O)[C@@H](F)c1ccccc1 Amb24678302 [1,1,0,0,0,0|2,0,0]=4 865 B12R1.34 NC[C@H](O)[C@@H](O)c1ccccc1 Amb24461599 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.34 NC[C@H](O)[C@H](O)c1ccccc1 Amb24695219 [1,1,0,0,0,0|2,0,0]=4 867 B12R1.34 OC(C(O)C=O)c1ccccc1 Amb25309597 [1,1,0,0,0,0|2,0,0]=4 868 B12R1.34 OC(CCl)C(Cl)c1ccccc1 Amb25803612 [1,1,0,0,0,0|2,0,0]=4 869 B12R1.34 OC(CO)C(F)c1ccccc1 Amb25792385 [1,1,0,0,0,0|2,0,0]=4 870 B12R1.34 OC[C@@H](O)C(O)c1ccccc1 Amb25332503 [1,1,0,0,0,0|2,0,0]=4 871 B12R1.34 OC[C@@H](O)[C@H](O)c1ccccc1 Amb24496901 [1,1,0,0,0,0|2,0,0]=4 872 B12R1.34 OC[C@H](O)[C@@H](O)c1ccccc1 Amb25816355 [1,1,0,0,0,0|2,0,0]=4 873 B12R1.34 OC[C@H](O)[C@H](O)c1ccccc1 Amb24735337 [1,1,0,0,0,0|2,0,0]=4 874 B12R1.34 O[C@@H](CO)[C@@H](F)c1ccccc1 Amb25206688 [1,1,0,0,0,0|2,0,0]=4 875 B12R1.34 O[C@@H](CO)[C@H](F)c1ccccc1 Amb25157359 [1,1,0,0,0,0|2,0,0]=4 876 B12R1.34 O[C@H]([C@@H](O)C=O)c1ccccc1 Amb25785152 [1,1,0,0,0,0|2,0,0]=4 877 B12R1.43 BrC(C(=O)C)Cc1ccccc1 Amb17507835 [1,1,0,0,0,0|2,0,0]=4 878 B12R1.43 CC(=C)C(Cl)Cc1ccccc1 Amb24635687 [1,1,0,0,0,0|2,0,0]=4 879 B12R1.43 CC(=C)[C@@H](O)Cc1ccccc1 Amb25077949 [1,1,0,0,0,0|1,0,0]=3 880 B12R1.43 CC(=O)C(C)Cc1cc[n]cc1 Amb25303664 [1,1,0,0,0,0|2,0,0]=4 881 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [1,1,0,0,0,0|1,0,0]=3 882 B12R1.43 CC(=O)N(O)Cc1ccccc1 Amb25297453 [1,1,0,0,0,0|2,0,0]=4 883 B12R1.43 CC(=O)[C@@H](C)Cc1cc[n]cc1 Amb25358977 [1,1,0,0,0,0|2,0,0]=4 884 B12R1.43 CC(=O)[C@@H](C)Cc1ccccc1 Amb24356281 [1,1,0,0,0,0|1,0,0]=3 885 B12R1.43 CC(=O)[C@@H](C)Oc1ccccc1 Amb25833650 [1,1,0,0,0,0|2,0,0]=4 886 B12R1.43 CC(=O)[C@@H](Cl)Cc1ccccc1 Amb24595784 [1,1,0,0,0,0|2,0,0]=4 887 B12R1.43 CC(=O)[C@@H](O)Cc1ccccc1 Amb24722888 [1,1,0,0,0,0|1,0,0]=3 888 B12R1.43 CC(=O)[C@H](C)Cc1cc[n]cc1 Amb24380859 [1,1,0,0,0,0|2,0,0]=4 889 B12R1.43 CC(=O)[C@H](C)Cc1ccccc1 Amb25233687 [1,1,0,0,0,0|1,0,0]=3 890 B12R1.43 CC(=S)N(C)Cc1ccccc1 Amb24073637 [1,1,0,0,0,0|2,0,0]=4 891 B12R1.43 CC(C(=O)C)Cc1ccccc1 Amb17232407 [1,1,0,0,0,0|1,0,0]=3 892 B12R1.43 CC(C(=O)C)Oc1ccccc1 Amb2439364 [1,1,0,0,0,0|2,0,0]=4 893 B12R1.43 CC(C(N)C)Cc1ccccc1 Amb17232438 [1,1,0,0,0,0|1,0,0]=3 894 B12R1.43 CC(C(O)C)Cc1ccccc1 Amb17232485 [1,1,0,0,0,0|1,0,0]=3 895 B12R1.43 CC(C)C(Br)Cc1ccccc1 Amb25690703 [1,1,0,0,0,0|2,0,0]=4 896 B12R1.43 CC(C)C(Cl)Cc1ccccc1 Amb19045146 [1,1,0,0,0,0|2,0,0]=4 897 B12R1.43 CC(C)C(O)Cc1cc[n]cc1 Amb18800936 [1,1,0,0,0,0|2,0,0]=4 898 B12R1.43 CC(C)C(O)Cc1ccc[n]c1 Amb18800935 [1,1,0,0,0,0|2,0,0]=4 899 B12R1.43 CC(C)C(O)Cc1cccc[n]1 Amb18792669 [1,1,0,0,0,0|2,0,0]=4 900 B12R1.43 CC(C)N(O)Cc1ccccc1 Amb25130380 [1,1,0,0,0,0|2,0,0]=4 901 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 Amb25375808 [1,1,0,0,0,0|2,0,0]=4 902 B12R1.43 CC(Cc1c[n]ccc1)C(C)Cl Amb25711097 [1,1,0,0,0,0|2,0,0]=4 903 B12R1.43 CC(Cc1cc[n]cc1)C(C)Cl Amb25827015 [1,1,0,0,0,0|2,0,0]=4 904 B12R1.43 CC(Cc1cc[n]cc1)C(C)N Amb18828714 [1,1,0,0,0,0|2,0,0]=4 905 B12R1.43 CC(Cc1cc[n]cc1)C(C)O Amb25710238 [1,1,0,0,0,0|2,0,0]=4 906 B12R1.43 CC(Cc1cccc[n]1)C(C)Br Amb25732857 [1,1,0,0,0,0|2,0,0]=4 907 B12R1.43 CC(Cc1cccc[n]1)C(C)Cl Amb24640097 [1,1,0,0,0,0|2,0,0]=4 908 B12R1.43 CC(Cc1cccc[n]1)C(C)N Amb25277034 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.43 CC(Cc1cccc[n]1)C(C)O Amb24341829 [1,1,0,0,0,0|2,0,0]=4 910 B12R1.43 CC(Cc1cccc[n]1)N(C)C Amb24554569 [1,1,0,0,0,0|2,0,0]=4 911 B12R1.43 CC(Cc1ccccc1)C(C)Br Amb24751375 [1,1,0,0,0,0|1,0,0]=3 912 B12R1.43 CC(Cc1ccccc1)C(C)Cl Amb19074260 [1,1,0,0,0,0|1,0,0]=3 913 B12R1.43 CC(Cc1ccccc1)[N+]([O-])=O Amb17689219 [1,1,0,0,0,0|2,0,0]=4 914 B12R1.43 CC(N(C)C)Cc1ccccc1 Amb1086747 [1,1,0,0,0,0|1,0,0]=3 915 B12R1.43 CC(N(C)C)Cc1ccccc1 Amb2099764 [1,1,0,0,0,0|1,0,0]=3 916 B12R1.43 CC(N)C(F)Cc1ccccc1 Amb25850180 [1,1,0,0,0,0|2,0,0]=4 917 B12R1.43 CC(N)C(O)Cc1cc[n]cc1 Amb18827650 [1,1,0,0,0,0|2,0,0]=4 918 B12R1.43 CC(N)C(O)Cc1ccc[n]c1 Amb18827666 [1,1,0,0,0,0|2,0,0]=4 919 B12R1.43 CC(N)C(O)Cc1ccccc1 Amb18828237 [1,1,0,0,0,0|1,0,0]=3 920 B12R1.43 CC(N)[C@H](O)Cc1ccccc1 Amb24389484 [1,1,0,0,0,0|1,0,0]=3 921 B12R1.43 CC(Nc1ccccc1)C(C)N Amb18646160 [1,1,0,0,0,0|2,0,0]=4 922 B12R1.43 CC(O)C(Cl)Cc1ccccc1 Amb25082706 [1,1,0,0,0,0|2,0,0]=4 923 B12R1.43 CC(O)C(N)Cc1ccccc1 Amb18646379 [1,1,0,0,0,0|2,0,0]=4 924 B12R1.43 CC(O)C(O)Cc1cc[n]cc1 Amb25158222 [1,1,0,0,0,0|2,0,0]=4 925 B12R1.43 CC(O)C(O)Cc1ccccc1 Amb25159724 [1,1,0,0,0,0|1,0,0]=3 926 B12R1.43 CC(O)[C@@H](N)Cc1ccccc1 Amb24682603 [1,1,0,0,0,0|2,0,0]=4 927 B12R1.43 CC(O)[C@@H](O)Cc1ccccc1 Amb24354395 [1,1,0,0,0,0|1,0,0]=3 928 B12R1.43 CC(O)[C@H](N)Cc1ccccc1 Amb25730054 [1,1,0,0,0,0|2,0,0]=4 929 B12R1.43 CC(Oc1ccccc1)C(C)Cl Amb24532569 [1,1,0,0,0,0|2,0,0]=4 930 B12R1.43 CC(Oc1ccccc1)C(C)N Amb18291409 [1,1,0,0,0,0|2,0,0]=4 931 B12R1.43 CC(Oc1ccccc1)C(C)O Amb18801039 [1,1,0,0,0,0|2,0,0]=4 932 B12R1.43 CC(Oc1ccccc1)[C@H](C)N Amb25089792 [1,1,0,0,0,0|2,0,0]=4 933 B12R1.43 CC(Sc1ccccc1)C(C)Cl Amb25290258 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.43 CC(Sc1ccccc1)C(C)N Amb18648553 [1,1,0,0,0,0|2,0,0]=4 935 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 Amb10844541 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.43 C[C@@H](Cc1ccccc1)C(C)O Amb25769503 [1,1,0,0,0,0|1,0,0]=3 937 B12R1.43 C[C@@H](Cc1ccccc1)C(N)=O Amb24651128 [1,1,0,0,0,0|2,0,0]=4 938 B12R1.43 C[C@@H](Cc1ccccc1)N(C)C Amb22747859 [1,1,0,0,0,0|1,0,0]=3 939 B12R1.43 C[C@@H](Cc1ccccc1)[C@@H](C)O Amb25795494 [1,1,0,0,0,0|1,0,0]=3 940 B12R1.43 C[C@@H](Cc1ccccc1)[C@H](C)Cl Amb25275062 [1,1,0,0,0,0|1,0,0]=3 941 B12R1.43 C[C@@H](N)[C@@H](N)Cc1ccccc1 Amb24407278 [1,1,0,0,0,0|2,0,0]=4 942 B12R1.43 C[C@@H](N)[C@@H](O)Cc1ccccc1 Amb25202137 [1,1,0,0,0,0|1,0,0]=3 943 B12R1.43 C[C@@H](N)[C@H](O)Cc1ccccc1 Amb25258010 [1,1,0,0,0,0|1,0,0]=3 944 B12R1.43 C[C@@H](Nc1ccccc1)[C@H](C)N Amb25237533 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.43 C[C@@H](Nc1ccccc1)[C@H](C)O Amb24382503 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.43 C[C@@H](O)[C@@H](O)Cc1ccccc1 Amb25847064 [1,1,0,0,0,0|1,0,0]=3 947 B12R1.43 C[C@@H](O)[C@H](Cl)Cc1ccccc1 Amb25823111 [1,1,0,0,0,0|2,0,0]=4 948 B12R1.43 C[C@@H](O)[C@H](N)Cc1ccccc1 Amb24664138 [1,1,0,0,0,0|2,0,0]=4 949 B12R1.43 C[C@@H](Oc1ccccc1)[C@@H](C)O Amb25687748 [1,1,0,0,0,0|2,0,0]=4 950 B12R1.43 C[C@@H](Oc1ccccc1)[C@H](C)N Amb24407272 [1,1,0,0,0,0|2,0,0]=4 951 B12R1.43 C[C@@H](Oc1ccccc1)[C@H](C)O Amb25284620 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.43 C[C@@H](Sc1ccccc1)[C@@H](C)N Amb25074048 [1,1,0,0,0,0|2,0,0]=4 953 B12R1.43 C[C@@H](Sc1ccccc1)[C@@H](C)O Amb24414998 [1,1,0,0,0,0|2,0,0]=4 954 B12R1.43 C[C@@H](Sc1ccccc1)[C@H](C)Cl Amb24444921 [1,1,0,0,0,0|2,0,0]=4 955 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 Amb10844540 [1,1,0,0,0,0|2,0,0]=4 956 B12R1.43 C[C@H](Cc1ccccc1)[C@@H](C)O Amb25157972 [1,1,0,0,0,0|1,0,0]=3 957 B12R1.43 C[C@H](Cc1ccccc1)[C@H](C)O Amb25769397 [1,1,0,0,0,0|1,0,0]=3 958 B12R1.43 C[C@H](N)[C@@H](N)Cc1ccccc1 Amb25152488 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.43 C[C@H](O)[C@@H](N)Cc1ccccc1 Amb25690953 [1,1,0,0,0,0|2,0,0]=4 960 B12R1.43 C[C@H](O)[C@@H](O)Cc1ccccc1 Amb24496614 [1,1,0,0,0,0|1,0,0]=3 961 B12R1.43 C[C@H](O)[C@H](N)Cc1ccccc1 Amb25375788 [1,1,0,0,0,0|2,0,0]=4 962 B12R1.43 C[C@H](Sc1ccccc1)[C@H](C)O Amb24661261 [1,1,0,0,0,0|2,0,0]=4 963 B12R1.43 ClC(C(=O)C)Cc1ccccc1 Amb17204329 [1,1,0,0,0,0|2,0,0]=4 964 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [1,1,0,0,0,0|2,0,0]=4 965 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [1,1,0,0,0,0|2,0,0]=4 966 B12R1.43 NC(=S)[C@H](O)Cc1ccccc1 Amb24419006 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.43 NC(C(=O)C)Cc1ccccc1 Amb1099237 [1,1,0,0,0,0|2,0,0]=4 968 B12R1.43 NC(C(C)C)Cc1ccccc1 Amb17138565 [1,1,0,0,0,0|2,0,0]=4 969 B12R1.43 OC(C(C)C)Cc1ccccc1 Amb17138584 [1,1,0,0,0,0|1,0,0]=3 970 B12R1.43 OC(Cc1ccccc1)C(F)Cl Amb25288246 [1,1,0,0,0,0|2,0,0]=4 971 B12R1.43 OC(Cc1ccccc1)C(F)F Amb24665165 [1,1,0,0,0,0|2,0,0]=4 972 B12R1.43 O[C@@H](Cc1ccccc1)C(F)F Amb24371353 [1,1,0,0,0,0|2,0,0]=4 973 B12R1.43 O[C@@H](Cc1ccccc1)[C@H](F)Cl Amb24373884 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.43 O[C@H](Cc1ccccc1)C(F)F Amb25129748 [1,1,0,0,0,0|2,0,0]=4 975 B12R1.49 C#CC(O)Cc1ccc(Br)cc1 Amb25756870 [1,1,0,0,0,0|1,0,1]=4 976 B12R1.49 C#CC(O)Cc1ccc(Cl)cc1 Amb25756868 [1,1,0,0,0,0|1,0,1]=4 977 B12R1.49 C=CC(O)Cc1ccc(Br)cc1 Amb24474552 [1,1,0,0,0,0|1,0,1]=4 978 B12R1.49 C=CC(O)Cc1ccc(Cl)cc1 Amb25686541 [1,1,0,0,0,0|1,0,1]=4 979 B12R1.49 C=CC(O)Cc1ccc(F)cc1 Amb25832059 [1,1,0,0,0,0|1,0,1]=4 980 B12R1.49 C=CC(O)Cc1ccc(O)cc1 Amb25735226 [1,1,0,0,0,0|1,0,1]=4 981 B12R1.49 CC(CN)Cc1ccc(Br)cc1 Amb18992228 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.49 CC(CN)Cc1ccc(I)cc1 Amb25054279 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.49 CC(CN)Cc1ccc(O)cc1 Amb25738797 [1,1,0,0,0,0|2,0,0]=4 984 B12R1.49 CC(CO)Cc1ccc(I)cc1 Amb25711706 [1,1,0,0,0,0|2,0,0]=4 985 B12R1.49 CC(Cc1ccc(Br)cc1)C#N Amb24540446 [1,1,0,0,0,0|2,0,0]=4 986 B12R1.49 CC(Cc1ccc(Br)cc1)C=O Amb25060263 [1,1,0,0,0,0|2,0,0]=4 987 B12R1.49 CC(Cc1ccc(Br)cc1)CBr Amb25366059 [1,1,0,0,0,0|2,0,0]=4 988 B12R1.49 CC(Cc1ccc(Cl)cc1)C=O Amb18648716 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.49 CC(Cc1ccc(Cl)cc1)NN Amb25152282 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.49 CC(Cc1ccc(F)cc1)C#N Amb25050633 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.49 CC(Cc1ccc(F)cc1)CBr Amb25115291 [1,1,0,0,0,0|2,0,0]=4 992 B12R1.49 CC(Cc1ccc(F)cc1)NN Amb25709190 [1,1,0,0,0,0|2,0,0]=4 993 B12R1.49 CC(Cc1ccc(I)cc1)NN Amb24716530 [1,1,0,0,0,0|2,0,0]=4 994 B12R1.49 CC(Cc1ccc(O)cc1)C=O Amb18646060 [1,1,0,0,0,0|2,0,0]=4 995 B12R1.49 CC(Cc1ccc(O)cc1)CO Amb25770294 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.49 CC(Cc1ccc(O)cc1)NN Amb25189495 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.49 CCC(Br)Cc1ccc(Br)cc1 Amb18049412 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.49 CCC(C)CN1C=CC(=O)C=C1 Amb25809661 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.49 CCC(C)Cc1ccc(N)cc1 Amb25798952 [1,1,0,0,0,0|1,0,0]=3 1000 B12R1.49 CCC(C)Oc1ccc(F)cc1 Amb24568831 [1,1,0,0,0,0|2,0,0]=4 1001 B12R1.49 CCC(C)Sc1ccc(Cl)cc1 Amb25284129 [1,1,0,0,0,0|2,0,0]=4 1002 B12R1.49 CCC(C)Sc1ccc(O)cc1 Amb18321724 [1,1,0,0,0,0|2,0,0]=4 1003 B12R1.49 CCC(Cc1ccc(cc1)Br)Cl Amb17477596 [1,1,0,0,0,0|2,0,0]=4 1004 B12R1.49 CCC(Cc1ccc(cc1)Br)O Amb17477579 [1,1,0,0,0,0|1,0,0]=3 1005 B12R1.49 CCC(Cc1ccc(cc1)C)Cl Amb17477426 [1,1,0,0,0,0|2,0,0]=4 1006 B12R1.49 CCC(Cc1ccc(cc1)C)O Amb17138583 [1,1,0,0,0,0|1,0,0]=3 1007 B12R1.49 CCC(Cc1ccc(cc1)Cl)Cl Amb17477604 [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.49 CCC(Cc1ccc(cc1)Cl)O Amb17139103 [1,1,0,0,0,0|1,0,0]=3 1009 B12R1.49 CCC(Cc1ccc(cc1)F)Cl Amb17477606 [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.49 CCC(Cc1ccc(cc1)F)O Amb17138637 [1,1,0,0,0,0|1,0,0]=3 1011 B12R1.49 CCC(Cl)Cc1ccc(I)cc1 Amb25157799 [1,1,0,0,0,0|2,0,0]=4 1012 B12R1.49 CCC(N)Cc1ccc(Cl)cc1 Amb19374189 [1,1,0,0,0,0|2,0,0]=4 1013 B12R1.49 CCC(N)Cc1ccc(I)cc1 Amb24711014 [1,1,0,0,0,0|2,0,0]=4 1014 B12R1.49 CCC(N)Cc1ccc(N)cc1 Amb24738382 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.49 CCC(O)CN1C=CC(=O)C=C1 Amb18788584 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.49 CCC(O)Nc1ccc(N)cc1 Amb25774074 [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.49 CCC(Oc1ccc(cc1)N)C Amb2189169 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.49 CCN(C)Cc1ccc(Br)cc1 Amb20784350 [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.49 CCN(C)Cc1ccc(F)cc1 Amb25284151 [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.49 CCN(C)Cc1ccc(F)cc1 Amb25706021 [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.49 CCN(C)Cc1ccc(N)cc1 Amb20622466 [1,1,0,0,0,0|2,0,0]=4 1022 B12R1.49 CC[C@@H](C)Oc1ccc(N)cc1 Amb24103201 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.49 CC[C@@H](N)Cc1ccc(Cl)cc1 Amb24357569 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.49 CC[C@H](N)Cc1ccc(Cl)cc1 Amb25313710 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.49 CN(Cc1ccc(Br)cc1)OC Amb25283954 [1,1,0,0,0,0|1,0,0]=3 1026 B12R1.49 CN(Cc1ccc(N)c[n]1)OC Amb25856358 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.49 CNC(C)CN1C=CC(=O)C=C1 Amb18999201 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.49 CNC(C)Cc1ccc(Br)c[n]1 Amb24483572 [1,1,0,0,0,0|2,0,0]=4 1029 B12R1.49 CNC(C)Cc1ccc(F)[n]c1 Amb24485445 [1,1,0,0,0,0|2,0,0]=4 1030 B12R1.49 CNC(C)Cc1ccc(F)cc1 Amb22055302 [1,1,0,0,0,0|1,0,0]=3 1031 B12R1.49 CNC(C)Cc1ccc(N)cc1 Amb18050449 [1,1,0,0,0,0|1,0,0]=3 1032 B12R1.49 CNC(Cc1ccc(cc1)O)C Amb17619384 [1,1,0,0,0,0|1,0,0]=3 1033 B12R1.49 CN[C@@H](C)Cc1ccc(Cl)cc1 Amb25123418 [1,1,0,0,0,0|1,0,0]=3 1034 B12R1.49 CN[C@@H](C)Cc1ccc(N)cc1 Amb24710324 [1,1,0,0,0,0|1,0,0]=3 1035 B12R1.49 CN[C@@H](C)Cc1ccc(O)cc1 Amb24451652 [1,1,0,0,0,0|1,0,0]=3 1036 B12R1.49 COC(=N)Cc1ccc(Cl)cc1 Amb19057372 [1,1,0,0,0,0|1,0,1]=4 1037 B12R1.49 COC(=N)Cc1ccc(F)cc1 Amb18180127 [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.49 COC(=N)Cc1ccc(O)cc1 Amb18792627 [1,1,0,0,0,0|1,0,1]=4 1039 B12R1.49 COC(=O)Cc1ccc(cc1)I Amb10601390 [1,1,0,0,0,0|0,0,2]=4 1040 B12R1.49 COC(C)CN1C=CC(=O)C=C1 Amb25291800 [1,1,0,0,0,0|1,0,0]=3 1041 B12R1.49 COC(C)C[n+]1ccc(C)cc1 Amb25663674 [1,1,0,0,0,0|1,0,0]=3 1042 B12R1.49 C[C@@H](CO)Cc1ccc(Cl)cc1 Amb25847856 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.49 C[C@@H](Cc1ccc(O)cc1)CO Amb24647774 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.49 C[C@H](CO)Cc1ccc(F)cc1 Amb24387764 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.49 C[C@H](Cc1ccc(O)cc1)CO Amb25371827 [1,1,0,0,0,0|2,0,0]=4 1046 B12R1.49 Cc1ccc(CC(=N)OC)cc1 Amb18798199 [1,1,0,0,0,0|1,0,1]=4 1047 B12R1.49 Cc1ccc(CC(Br)CC)cc1 Amb24399086 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.49 Cc1ccc(CC(C)C=O)cc1 Amb18645702 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.49 Cc1ccc(CC(C)CBr)cc1 Amb25152481 [1,1,0,0,0,0|2,0,0]=4 1050 B12R1.49 Cc1ccc(CC(C)CC)cc1 Amb25241788 [1,1,0,0,0,0|1,0,0]=3 1051 B12R1.49 Cc1ccc(CC(C)CCl)cc1 Amb24390124 [1,1,0,0,0,0|2,0,0]=4 1052 B12R1.49 Cc1ccc(CC(C)CO)cc1 Amb24354502 [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.49 Cc1ccc(CC(O)C=C)cc1 Amb25845662 [1,1,0,0,0,0|1,0,1]=4 1054 B12R1.49 Cc1ccc(CC(O)C=O)cc1 Amb24466339 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.49 Cc1ccc(CC(O)CC)[n]c1 Amb24751442 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.49 Cc1ccc(CN(C)CC)cc1 Amb25115746 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.49 Cc1ccc(CN(C)OC)cc1 Amb25048286 [1,1,0,0,0,0|1,0,0]=3 1058 B12R1.49 Cc1ccc(C[C@@H](C)CO)cc1 Amb25687834 [1,1,0,0,0,0|2,0,0]=4 1059 B12R1.49 Cc1ccc(C[C@@H](C)NC)cc1 Amb25233407 [1,1,0,0,0,0|1,0,0]=3 1060 B12R1.49 Cc1ccc(C[C@H](C)CO)cc1 Amb25221031 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.49 Cc1ccc(cc1)N[C@@H](C)CC Amb24635875 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.49 Cc1ccc(cc1)SC(O)CC Amb22228345 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.49 N#CC(O)Cc1ccc(Cl)cc1 Amb25817268 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.49 NCC(Cc1ccc(cc1)Br)O Amb17248849 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.49 NCC(Cc1ccc(cc1)C)O Amb17232550 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.49 NCC(Cc1ccc(cc1)Cl)O Amb17234269 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.49 NCC(Cc1ccc(cc1)F)O Amb17232703 [1,1,0,0,0,0|2,0,0]=4 1068 B12R1.49 OC(Cc1ccc(Br)cc1)C=O Amb25856500 [1,1,0,0,0,0|2,0,0]=4 1069 B12R1.49 OC(Cc1ccc(Cl)cc1)C=O Amb25205198 [1,1,0,0,0,0|2,0,0]=4 1070 B12R1.49 OC(Cc1ccc(F)cc1)C=O Amb25731164 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.49 OC(Cc1ccc(F)cc1)CCl Amb24410753 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.49 Oc1ccc(CC(O)CO)cc1 Amb25092907 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.49 Oc1ccc(C[C@H](O)CO)cc1 Amb24497177 [1,1,0,0,0,0|2,0,0]=4 1074 B12R1.50 C#CC(O)Cc1cccc(Br)c1 Amb24713259 [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.50 C#CC(O)Cc1cccc(Cl)c1 Amb24362185 [1,1,0,0,0,0|1,0,1]=4 1076 B12R1.50 C#CC(O)Cc1cccc(F)c1 Amb25209915 [1,1,0,0,0,0|1,0,1]=4 1077 B12R1.50 C=CC(O)Cc1cccc(Cl)c1 Amb25343968 [1,1,0,0,0,0|1,0,1]=4 1078 B12R1.50 CC(CCl)Cc1cc(Br)ccc1 Amb24728303 [1,1,0,0,0,0|2,0,0]=4 1079 B12R1.50 CC(CN)Cc1cc(Br)ccc1 Amb18992227 [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.50 CC(CN)Cc1cc(F)ccc1 Amb18299465 [1,1,0,0,0,0|2,0,0]=4 1081 B12R1.50 CC(CN)Cc1cc(O)ccc1 Amb24537853 [1,1,0,0,0,0|2,0,0]=4 1082 B12R1.50 CC(CO)Cc1cc(Br)ccc1 Amb25729945 [1,1,0,0,0,0|2,0,0]=4 1083 B12R1.50 CC(CO)Cc1cc(Cl)ccc1 Amb25212222 [1,1,0,0,0,0|2,0,0]=4 1084 B12R1.50 CC(CO)Cc1cc(F)ccc1 Amb25228330 [1,1,0,0,0,0|2,0,0]=4 1085 B12R1.50 CC(Cc1cc(O)ccc1)CO Amb24579423 [1,1,0,0,0,0|2,0,0]=4 1086 B12R1.50 CC(Cc1cccc(Br)c1)C#N Amb25159927 [1,1,0,0,0,0|2,0,0]=4 1087 B12R1.50 CC(Cc1cccc(Br)c1)NN Amb25342052 [1,1,0,0,0,0|2,0,0]=4 1088 B12R1.50 CC(Cc1cccc(Cl)c1)C#N Amb25762801 [1,1,0,0,0,0|2,0,0]=4 1089 B12R1.50 CC(Cc1cccc(Cl)c1)C=O Amb25804355 [1,1,0,0,0,0|2,0,0]=4 1090 B12R1.50 CC(Cc1cccc(Cl)c1)NN Amb24434144 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.50 CC(Cc1cccc(F)c1)NN Amb25056305 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.50 CC(Cc1cccc(F)c1)NO Amb25056304 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.50 CC(Cc1cccc(I)c1)C=O Amb25850018 [1,1,0,0,0,0|2,0,0]=4 1094 B12R1.50 CC(Cc1cccc(N)c1)C=O Amb25251154 [1,1,0,0,0,0|2,0,0]=4 1095 B12R1.50 CC(Cc1cccc(O)c1)CBr Amb24444691 [1,1,0,0,0,0|2,0,0]=4 1096 B12R1.50 CC(Cc1cccc(O)c1)CCl Amb24537852 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.50 CCC(Br)Cc1cc(Br)ccc1 Amb18049408 [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.50 CCC(Br)Cc1cc(F)ccc1 Amb25039883 [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.50 CCC(C)Oc1cccc(I)c1 Amb24422625 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.50 CCC(C)Sc1cccc(Br)c1 Amb25706089 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.50 CCC(C)Sc1cccc(N)c1 Amb18289356 [1,1,0,0,0,0|2,0,0]=4 1102 B12R1.50 CCC(C)Sc1cccc(O)c1 Amb25136875 [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.50 CCC(Cc1cccc(c1)Br)Cl Amb17477597 [1,1,0,0,0,0|2,0,0]=4 1104 B12R1.50 CCC(Cc1cccc(c1)Br)O Amb17477580 [1,1,0,0,0,0|1,0,0]=3 1105 B12R1.50 CCC(Cc1cccc(c1)C)Cl Amb17477424 [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.50 CCC(Cc1cccc(c1)C)O Amb17138582 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.50 CCC(Cc1cccc(c1)Cl)Cl Amb17477605 [1,1,0,0,0,0|2,0,0]=4 1108 B12R1.50 CCC(Cc1cccc(c1)Cl)O Amb17139102 [1,1,0,0,0,0|1,0,0]=3 1109 B12R1.50 CCC(Cc1cccc(c1)F)O Amb17138636 [1,1,0,0,0,0|1,0,0]=3 1110 B12R1.50 CCC(Cl)Cc1cc(F)ccc1 Amb19046367 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.50 CCC(N)Cc1cc(I)ccc1 Amb25800100 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.50 CCC(O)Cc1cc(Br)c[n]c1 Amb24593414 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.50 CCC(Oc1cccc(c1)N)C Amb2189170 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.50 CCN(C)Cc1cccc(Cl)c1 Amb24619073 [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.50 CCN(C)Cc1cccc(Cl)c1 Amb25769163 [1,1,0,0,0,0|2,0,0]=4 1116 B12R1.50 CC[C@@H](N)Cc1cc(F)ccc1 Amb24535474 [1,1,0,0,0,0|2,0,0]=4 1117 B12R1.50 CC[C@H](C)Oc1cccc(O)c1 Amb24497029 [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.50 CC[C@H](N)Cc1cc(Cl)ccc1 Amb24668259 [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.50 CN(Cc1cccc(Br)c1)OC Amb25317009 [1,1,0,0,0,0|1,0,0]=3 1120 B12R1.50 CN(Cc1cccc(Cl)[n]1)OC Amb25057418 [1,1,0,0,0,0|2,0,0]=4 1121 B12R1.50 CN(Cc1cccc(Cl)c1)OC Amb24557097 [1,1,0,0,0,0|1,0,0]=3 1122 B12R1.50 CNC(C)Cc1cc[n]c(N)c1 Amb24604361 [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.50 CNC(C)Cc1cccc(F)c1 Amb18792939 [1,1,0,0,0,0|1,0,0]=3 1124 B12R1.50 CNC(C)Cc1cccc(S)c1 Amb24542790 [1,1,0,0,0,0|1,0,0]=3 1125 B12R1.50 CNC(Cc1cccc(c1)F)C Amb17614425 [1,1,0,0,0,0|1,0,0]=3 1126 B12R1.50 CNC(Cc1cccc(n1)C)C Amb1995163 [1,1,0,0,0,0|2,0,0]=4 1127 B12R1.50 CNC(Cc1nccc(c1)C)C Amb1995160 [1,1,0,0,0,0|2,0,0]=4 1128 B12R1.50 CN[C@@H](C)Cc1cccc(O)c1 Amb25697180 [1,1,0,0,0,0|1,0,0]=3 1129 B12R1.50 COC(=N)Cc1cccc(Br)c1 Amb25046776 [1,1,0,0,0,0|1,0,1]=4 1130 B12R1.50 COC(=N)Cc1cccc(Cl)c1 Amb19057373 [1,1,0,0,0,0|1,0,1]=4 1131 B12R1.50 COC(=N)Cc1cccc(F)c1 Amb18788552 [1,1,0,0,0,0|1,0,1]=4 1132 B12R1.50 COC(=O)Cc1cccc(S)c1 Amb22490996 [1,1,0,0,0,0|0,0,2]=4 1133 B12R1.50 COC(=O)Cc1cccc(c1)N Amb10071208 [1,1,0,0,0,0|0,0,2]=4 1134 B12R1.50 COC(C)CC=1NC(=S)C=CN1 Amb25806555 [1,1,0,0,0,0|2,0,0]=4 1135 B12R1.50 COC(C)Cc1[n]c(Cl)cc[n]1 Amb25343084 [1,1,0,0,0,0|2,0,0]=4 1136 B12R1.50 CON(C)Cc1c[n]cc(Br)c1 Amb24544294 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.50 CON(C)Cc1c[n]cc(F)c1 Amb25816737 [1,1,0,0,0,0|2,0,0]=4 1138 B12R1.50 Cc1cc(CC(=N)OC)ccc1 Amb18798192 [1,1,0,0,0,0|1,0,1]=4 1139 B12R1.50 Cc1cc(CC(O)C#C)ccc1 Amb24457341 [1,1,0,0,0,0|1,0,1]=4 1140 B12R1.50 Cc1cc(CC(O)C=C)ccc1 Amb24431083 [1,1,0,0,0,0|1,0,1]=4 1141 B12R1.50 Cc1cc(CC(O)CCl)ccc1 Amb24711431 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.50 Cc1cc(CC(O)CO)ccc1 Amb24397224 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.50 Cc1cc(C[C@@H](O)C=C)ccc1 Amb25155807 [1,1,0,0,0,0|1,0,1]=4 1144 B12R1.50 Cc1cc(C[C@@H](O)CCl)ccc1 Amb24652370 [1,1,0,0,0,0|2,0,0]=4 1145 B12R1.50 Cc1cc[n]c(CN(C)OC)c1 Amb24450809 [1,1,0,0,0,0|2,0,0]=4 1146 B12R1.50 Cc1cccc(CC(Br)CC)c1 Amb24483315 [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.50 Cc1cccc(CC(C)C=O)c1 Amb25120274 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.50 Cc1cccc(CC(C)CO)c1 Amb24341616 [1,1,0,0,0,0|2,0,0]=4 1149 B12R1.50 Cc1cccc(CN(C)CC)c1 Amb25749187 [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.50 Cc1cccc(CN(C)OC)c1 Amb24474494 [1,1,0,0,0,0|1,0,0]=3 1151 B12R1.50 Cc1cccc(c1)OC(C)CC Amb24484235 [1,1,0,0,0,0|2,0,0]=4 1152 B12R1.50 Cc1cccc(c1)SC(O)CC Amb22228367 [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.50 N#CC(O)Cc1cccc(F)c1 Amb24372046 [1,1,0,0,0,0|2,0,0]=4 1154 B12R1.50 NCC(Cc1cccc(c1)Br)O Amb17248846 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.50 NCC(Cc1cccc(c1)C)O Amb17232548 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.50 NCC(Cc1cccc(c1)Cl)O Amb17234266 [1,1,0,0,0,0|2,0,0]=4 1157 B12R1.50 NCC(O)Cc1cc(F)ccc1 Amb18563898 [1,1,0,0,0,0|2,0,0]=4 1158 B12R1.50 OC(Cc1cc(Cl)ccc1)CCl Amb25780609 [1,1,0,0,0,0|2,0,0]=4 1159 B12R1.50 OC(Cc1cccc(Br)c1)C=O Amb25802176 [1,1,0,0,0,0|2,0,0]=4 1160 B12R1.50 OC(Cc1cccc(Cl)c1)C=O Amb25107935 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.50 OC(Cc1cccc(F)c1)C=O Amb25047798 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.50 OC(Cc1cccc(F)c1)CCl Amb25266882 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.50 OCC(O)Cc1cccc(Cl)c1 Amb25281635 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.50 Oc1cccc(CC(O)CO)c1 Amb24497069 [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.194 C#CC(Cc1ccccc1)(O)C Amb1083082 [1,1,0,0,0,0|1,0,1]=4 1166 B12R1.194 CC(C)(CN)Cc1ccccc1 Amb19310600 [1,1,0,0,0,0|2,0,0]=4 1167 B12R1.194 CC(C)(Cc1ccccc1)N=O Amb22055953 [1,1,0,0,0,0|2,0,0]=4 1168 B12R1.194 CC(C)(Cc1ccccc1)NC Amb22349936 [1,1,0,0,0,0|1,0,0]=3 1169 B12R1.194 CC(C)(Cc1ccccc1)NN Amb18646155 [1,1,0,0,0,0|2,0,0]=4 1170 B12R1.194 CC(C)(Cc1ccccc1)NO Amb24411489 [1,1,0,0,0,0|2,0,0]=4 1171 B12R1.194 CC(Cl)(CO)Cc1ccccc1 Amb25115909 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.194 CC(Cl)(Cc1ccccc1)C#N Amb18791085 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.194 CC(N)(CO)Cc1ccccc1 Amb19001800 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.194 CC(N)(Cc1ccccc1)CN Amb19001789 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.194 CC(O)(Cc1ccccc1)C#N Amb18177733 [1,1,0,0,0,0|2,0,0]=4 1176 B12R1.194 CC(O)(Cc1ccccc1)NN Amb25361538 [1,1,0,0,0,0|2,0,0]=4 1177 B12R1.194 CCC(C)(Cl)Cc1ccccc1 Amb25080041 [1,1,0,0,0,0|1,0,0]=3 1178 B12R1.194 CCC(C)(N)Cc1cc[n]cc1 Amb24483651 [1,1,0,0,0,0|2,0,0]=4 1179 B12R1.194 CCC(C)(O)Cc1cc[n]cc1 Amb25075866 [1,1,0,0,0,0|2,0,0]=4 1180 B12R1.194 CNC(C)(C)Cc1c[n]ccc1 Amb24544019 [1,1,0,0,0,0|2,0,0]=4 1181 B12R1.194 COC(Cc1ccccc1)(C)C Amb10555866 [1,1,0,0,0,0|0,0,0]=2 1182 B12R1.194 COP(O)(=O)Cc1ccccc1 Amb25353668 [1,1,0,0,0,0|1,0,0]=3 1183 B12R1.194 CO[Si](C)(C)Cc1ccccc1 Amb22167044 [1,1,0,0,0,0|0,1,0]=3 1184 B12R1.194 C[C@@](O)(Cc1ccccc1)C=O Amb24539297 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.194 C[C@@](O)(Cc1ccccc1)CO Amb25817130 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.194 C[C@](O)(Cc1ccccc1)CO Amb24474165 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.194 N#CC(Cc1ccccc1)(C)C Amb17333794 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.194 N#CC(Cc1ccccc1)(N)C Amb17232330 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.194 NCC(Cc1ccccc1)(C)C Amb17333839 [1,1,0,0,0,0|2,0,0]=4 1190 B12R1.194 NCC(Cc1ccccc1)(O)C Amb17082131 [1,1,0,0,0,0|2,0,0]=4 1191 B12R1.194 ONC(Cc1ccccc1)(C)C Amb17615684 [1,1,0,0,0,0|2,0,0]=4 1192 B12R1.371 C=CC(O)Cc1ccccc1Br Amb24523932 [1,1,0,0,0,0|1,0,1]=4 1193 B12R1.371 CC(CN)Cc1ccccc1Br Amb18992226 [1,1,0,0,0,0|2,0,0]=4 1194 B12R1.371 CC(CO)Cc1ccccc1Br Amb25208316 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.371 CC(CO)Cc1ccccc1Cl Amb25039912 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.371 CC(Cc1ccccc1Br)C=O Amb25324057 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.371 CC(Cc1ccccc1Br)CBr Amb25040689 [1,1,0,0,0,0|2,0,0]=4 1198 B12R1.371 CC(Cc1ccccc1Cl)C#N Amb25717018 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.371 CC(Cc1ccccc1F)C=O Amb24429443 [1,1,0,0,0,0|2,0,0]=4 1200 B12R1.371 CC(Cc1ccccc1F)CBr Amb25741700 [1,1,0,0,0,0|2,0,0]=4 1201 B12R1.371 CC(Cc1ccccc1F)CCl Amb25349982 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.371 CC(Cc1ccccc1I)C=O Amb24437612 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.371 CC(Cc1ccccc1O)C=O Amb25313067 [1,1,0,0,0,0|2,0,0]=4 1204 B12R1.371 CCC(Br)Cc1ccccc1Cl Amb24675424 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.371 CCC(C)CN1C=CC=CC1=O Amb25667279 [1,1,0,0,0,0|2,0,0]=4 1206 B12R1.371 CCC(C)Cc1ccccc1N Amb25034567 [1,1,0,0,0,0|1,0,0]=3 1207 B12R1.371 CCC(C)Oc1ccccc1I Amb24531541 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.371 CCC(C)Sc1ccccc1O Amb19045078 [1,1,0,0,0,0|2,0,0]=4 1209 B12R1.371 CCC(Cc1ccccc1C)Cl Amb17477425 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.371 CCC(Cc1ccccc1C)O Amb17138581 [1,1,0,0,0,0|1,0,0]=3 1211 B12R1.371 CCC(Cc1ccccc1Cl)Cl Amb17477603 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.371 CCC(Cc1ccccc1Cl)O Amb17139101 [1,1,0,0,0,0|1,0,0]=3 1213 B12R1.371 CCC(Cc1ccccc1F)O Amb17138635 [1,1,0,0,0,0|1,0,0]=3 1214 B12R1.371 CCC(Cl)Cc1ccccc1F Amb19046368 [1,1,0,0,0,0|2,0,0]=4 1215 B12R1.371 CCC(N)Cc1ccccc1Br Amb20627508 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.371 CCC(O)CN1C=CC=CC1=O Amb18792909 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.371 CCC(O)Cc1c[n]ccc1N Amb24643382 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.371 CCC(O)Cc1cc[n]cc1Cl Amb24594806 [1,1,0,0,0,0|2,0,0]=4 1219 B12R1.371 CCC(O)Cc1ccccc1Br Amb24465632 [1,1,0,0,0,0|1,0,0]=3 1220 B12R1.371 CCC(O)Cc1ccccc1N Amb25335274 [1,1,0,0,0,0|1,0,0]=3 1221 B12R1.371 CCN(C)Cc1ccccc1Br Amb24370391 [1,1,0,0,0,0|2,0,0]=4 1222 B12R1.371 CCN(C)Cc1ccccc1Cl Amb25107530 [1,1,0,0,0,0|2,0,0]=4 1223 B12R1.371 CCN(C)Cc1ccccc1F Amb25749463 [1,1,0,0,0,0|2,0,0]=4 1224 B12R1.371 CCN(C)Cc1ccccc1F Amb25846054 [1,1,0,0,0,0|2,0,0]=4 1225 B12R1.371 CCN(C)Cc1ccccc1O Amb24493028 [1,1,0,0,0,0|2,0,0]=4 1226 B12R1.371 CN(Cc1[n]cccc1Br)OC Amb24343519 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.371 CN(Cc1[n]cccc1N)OC Amb25083515 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.371 CN(Cc1ccccc1Cl)OC Amb25284132 [1,1,0,0,0,0|1,0,0]=3 1229 B12R1.371 CNC(C)CN1C=CC=CC1=O Amb18982094 [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.371 CNC(C)Cc1c[n]ccc1N Amb24763568 [1,1,0,0,0,0|2,0,0]=4 1231 B12R1.371 CNC(C)Cc1cc[n]cc1Cl Amb24379712 [1,1,0,0,0,0|2,0,0]=4 1232 B12R1.371 CNC(C)Cc1ccc[n]c1F Amb24648892 [1,1,0,0,0,0|2,0,0]=4 1233 B12R1.371 CNC(C)Cc1ccc[n]c1N Amb24715833 [1,1,0,0,0,0|2,0,0]=4 1234 B12R1.371 CNC(C)Cc1ccccc1Br Amb25149882 [1,1,0,0,0,0|1,0,0]=3 1235 B12R1.371 CNC(Cc1ncccc1C)C Amb1995153 [1,1,0,0,0,0|2,0,0]=4 1236 B12R1.371 CN[C@@H](C)Cc1ccccc1F Amb25264769 [1,1,0,0,0,0|1,0,0]=3 1237 B12R1.371 COC(=N)Cc1ccccc1Cl Amb19074651 [1,1,0,0,0,0|1,0,1]=4 1238 B12R1.371 COC(=N)Cc1ccccc1F Amb18792903 [1,1,0,0,0,0|1,0,1]=4 1239 B12R1.371 COC(=O)Cc1ccccc1I Amb22749395 [1,1,0,0,0,0|0,0,2]=4 1240 B12R1.371 COC(=O)Cc1ccccc1N Amb20623565 [1,1,0,0,0,0|0,0,2]=4 1241 B12R1.371 COC(C)CN1C=CC=NC1=O Amb24460217 [1,1,0,0,0,0|2,0,0]=4 1242 B12R1.371 COC(C)CN1N=CC=CC1=O Amb24689142 [1,1,0,0,0,0|2,0,0]=4 1243 B12R1.371 COC(C)C[n+]1ccccc1C Amb25663675 [1,1,0,0,0,0|1,0,0]=3 1244 B12R1.371 COC(C)Cc1c[n]ccc1N Amb25691169 [1,1,0,0,0,0|1,0,0]=3 1245 B12R1.371 COC(C)Cc1ccccc1O Amb18646540 [1,1,0,0,0,0|0,0,0]=2 1246 B12R1.371 COC(C)Oc1ccccc1O Amb25334885 [1,1,0,0,0,0|1,0,0]=3 1247 B12R1.371 C[C@@H](Cc1ccccc1O)CO Amb24633514 [1,1,0,0,0,0|2,0,0]=4 1248 B12R1.371 C[C@H](CO)Cc1ccccc1Cl Amb25157925 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.371 C[C@H](CO)Cc1ccccc1F Amb25837933 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.371 C[C@H](Cc1ccccc1O)CO Amb25094364 [1,1,0,0,0,0|2,0,0]=4 1251 B12R1.371 C\C(\Cc1ccccc1O)=C/C Amb25130619 [1,1,0,0,0,0|1,0,1]=4 1252 B12R1.371 C\C(\Cc1ccccc1O)=C\C Amb24380771 [1,1,0,0,0,0|1,0,1]=4 1253 B12R1.371 Cc1[n]cccc1CN(C)OC Amb24576789 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.371 Cc1ccc[n]c1CC(O)CC Amb24415938 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.371 Cc1ccccc1CC(=N)OC Amb18798191 [1,1,0,0,0,0|1,0,1]=4 1256 B12R1.371 Cc1ccccc1CC(C)C=O Amb18645713 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.371 Cc1ccccc1CC(C)CBr Amb25733982 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.371 Cc1ccccc1CC(C)CO Amb25152371 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.371 Cc1ccccc1CC(C)NC Amb24271197 [1,1,0,0,0,0|1,0,0]=3 1260 B12R1.371 Cc1ccccc1CC(O)C#C Amb25764953 [1,1,0,0,0,0|1,0,1]=4 1261 B12R1.371 Cc1ccccc1CC(O)C=O Amb25789140 [1,1,0,0,0,0|2,0,0]=4 1262 B12R1.371 Cc1ccccc1CC(O)CCl Amb25258048 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.371 Cc1ccccc1CC(O)CO Amb24615514 [1,1,0,0,0,0|2,0,0]=4 1264 B12R1.371 Cc1ccccc1C[C@@H](N)CC Amb24410901 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.371 Cc1ccccc1C[C@H](O)CC Amb25157887 [1,1,0,0,0,0|1,0,0]=3 1266 B12R1.371 Cc1ccccc1SC(O)CC Amb22228394 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.371 NCC(Cc1ccccc1C)O Amb17232545 [1,1,0,0,0,0|2,0,0]=4 1268 B12R1.371 NCC(Cc1ccccc1Cl)O Amb17234263 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.371 NCC(Cc1ccccc1F)O Amb17232700 [1,1,0,0,0,0|2,0,0]=4 1270 B12R1.371 NCC(O)Cc1ccccc1Br Amb18069447 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.371 OC(Cc1ccccc1F)C=O Amb24554950 [1,1,0,0,0,0|2,0,0]=4 1272 B12R1.371 OC(Cc1ccccc1F)CCl Amb24355863 [1,1,0,0,0,0|2,0,0]=4 1273 B12R1.3 CCC(NOC)c1ccccc1 Amb22896961 [0,1,0,0,1,0|1,0,0]=3 1274 B12R1.3 CNC(CCO)c1ccccc1 Amb18563697 [0,1,0,0,1,0|2,0,0]=4 1275 B12R1.3 CNCC(c1ccccc1)OC Amb17605856 [0,1,0,0,1,0|1,0,0]=3 1276 B12R1.3 CN\C(=N\OC)\c1ccccc1 Amb24519522 [0,1,0,0,1,0|1,0,1]=4 1277 B12R1.3 COC(CC#N)c1ccccc1 Amb18797978 [0,1,0,0,1,0|1,0,1]=4 1278 B12R1.3 COC(N=C=O)c1ccccc1 Amb25102728 [0,1,0,0,1,0|1,0,1]=4 1279 B12R1.3 COC(\C=C/Cl)c1ccccc1 Amb24426163 [0,1,0,0,1,0|1,0,1]=4 1280 B12R1.3 COCC(C#N)c1ccccc1 Amb25728276 [0,1,0,0,1,0|2,0,0]=4 1281 B12R1.3 COCC(c1ccccn1)NC Amb10607923 [0,1,0,0,1,0|2,0,0]=4 1282 B12R1.3 CONC(C#C)c1ccccc1 Amb24351536 [0,1,0,0,1,0|1,0,1]=4 1283 B12R1.3 C\C=C\C(NC)c1ccccc1 Amb18645551 [0,1,0,0,1,0|2,0,0]=4 1284 B12R1.3 NCC(c1ccccc1)OCC Amb17605997 [0,1,0,0,1,0|2,0,0]=4 1285 B12R1.3 NCCC(c1ccccc1)OC Amb17334641 [0,1,0,0,1,0|1,0,0]=3 1286 B12R1.3 OCCC(c1ccccc1)CC Amb17232488 [0,1,0,0,1,0|2,0,0]=4 1287 B12R1.12 CCC(NC)c1ccc(Br)cc1 Amb18015146 [0,1,0,0,1,0|2,0,0]=4 1288 B12R1.12 CCC(NC)c1ccc(I)cc1 Amb25796401 [0,1,0,0,1,0|2,0,0]=4 1289 B12R1.12 CCC(OC)c1ccc(Br)cc1 Amb23443744 [0,1,0,0,1,0|1,0,0]=3 1290 B12R1.12 CCC(OC)c1ccc(N)cc1 Amb23568698 [0,1,0,0,1,0|1,0,0]=3 1291 B12R1.12 CCC(OC)c1ccc(S)cc1 Amb23568721 [0,1,0,0,1,0|1,0,0]=3 1292 B12R1.12 CCC(SC)c1ccc(Br)cc1 Amb23443751 [0,1,0,0,1,0|1,1,0]=4 1293 B12R1.12 CCC(SC)c1ccc(Cl)cc1 Amb25119645 [0,1,0,0,1,0|1,1,0]=4 1294 B12R1.12 CCC(c1ccc(cc1)Br)NC Amb1136813 [0,1,0,0,1,0|2,0,0]=4 1295 B12R1.12 CCC(c1ccc(cc1)C)NC Amb1112139 [0,1,0,0,1,0|2,0,0]=4 1296 B12R1.12 CCC(c1ccc(cc1)Cl)NC Amb1139852 [0,1,0,0,1,0|2,0,0]=4 1297 B12R1.12 CCC(c1ccc(cc1)F)NC Amb1113198 [0,1,0,0,1,0|2,0,0]=4 1298 B12R1.12 CCC(c1ccc(cc1)O)CC Amb17594075 [0,1,0,0,1,0|2,0,0]=4 1299 B12R1.12 CCC(c1ccc(cc1)O)NC Amb1116807 [0,1,0,0,1,0|2,0,0]=4 1300 B12R1.12 CCN(OC)c1ccc(N)cc1 Amb25690526 [0,1,0,0,1,0|2,0,0]=4 1301 B12R1.12 CC[C@@H](NC)c1ccc(F)cc1 Amb25794239 [0,1,0,0,1,0|2,0,0]=4 1302 B12R1.12 CC[C@H](NC)c1ccc(F)cc1 Amb25374928 [0,1,0,0,1,0|2,0,0]=4 1303 B12R1.12 COB(OC)c1ccc(Cl)cc1 Amb25674840 [0,1,0,0,1,0|1,0,0]=3 1304 B12R1.12 COC(C#N)c1ccc(Br)cc1 Amb25121393 [0,1,0,0,1,0|2,0,0]=4 1305 B12R1.12 COC(C#N)c1ccc(F)cc1 Amb19149310 [0,1,0,0,1,0|2,0,0]=4 1306 B12R1.12 COC(C=O)c1ccc(Br)cc1 Amb24711608 [0,1,0,0,1,0|2,0,0]=4 1307 B12R1.12 COC(C=O)c1ccc(Cl)cc1 Amb25299865 [0,1,0,0,1,0|2,0,0]=4 1308 B12R1.12 COC(C=O)c1ccc(F)cc1 Amb25309723 [0,1,0,0,1,0|2,0,0]=4 1309 B12R1.12 COC(C=O)c1ccc(I)cc1 Amb25088585 [0,1,0,0,1,0|2,0,0]=4 1310 B12R1.12 COC(CBr)c1ccc(F)cc1 Amb24449281 [0,1,0,0,1,0|2,0,0]=4 1311 B12R1.12 COC(CI)c1ccc(F)cc1 Amb24412461 [0,1,0,0,1,0|2,0,0]=4 1312 B12R1.12 COC(CN)c1ccc(Cl)cc1 Amb19375327 [0,1,0,0,1,0|2,0,0]=4 1313 B12R1.12 COC(CN)c1ccc(F)cc1 Amb19149303 [0,1,0,0,1,0|2,0,0]=4 1314 B12R1.12 COC(OC)c1ccc(Br)c[n]1 Amb25090327 [0,1,0,0,1,0|1,0,0]=3 1315 B12R1.12 COC(OC)c1ccc(I)cc1 Amb24066120 [0,1,0,0,1,0|0,0,0]=2 1316 B12R1.12 COC(OC)c1ccc(O)cc1 Amb25830071 [0,1,0,0,1,0|0,0,0]=2 1317 B12R1.12 COC(OC)c1ccc(S)cc1 Amb24525111 [0,1,0,0,1,0|0,0,0]=2 1318 B12R1.12 COC(c1ccc(cc1)Br)OC Amb10601607 [0,1,0,0,1,0|0,0,0]=2 1319 B12R1.12 COC(c1ccc(cc1)C)CN Amb17334642 [0,1,0,0,1,0|2,0,0]=4 1320 B12R1.12 CO[C@H](CN)c1ccc(O)cc1 Amb25106940 [0,1,0,0,1,0|2,0,0]=4 1321 B12R1.12 CSC(SC)c1ccc(O)cc1 Amb25236944 [0,1,0,0,1,0|0,2,0]=4 1322 B12R1.12 C\N=C(\OC)/c1ccc(O)cc1 Amb24512541 [0,1,0,0,1,0|1,0,1]=4 1323 B12R1.12 Cc1ccc(c[n]1)B(OC)OC Amb25097047 [0,1,0,0,1,0|2,0,0]=4 1324 B12R1.12 Cc1ccc(cc1)C(C#N)OC Amb24447186 [0,1,0,0,1,0|2,0,0]=4 1325 B12R1.12 Cc1ccc(cc1)C(CBr)OC Amb25713167 [0,1,0,0,1,0|2,0,0]=4 1326 B12R1.12 Cc1ccc(cc1)C(CI)OC Amb25851917 [0,1,0,0,1,0|2,0,0]=4 1327 B12R1.12 Cc1ccc(cc1)C(CO)OC Amb25816517 [0,1,0,0,1,0|2,0,0]=4 1328 B12R1.12 Cc1ccc(cc1)C(OC)OC Amb24066891 [0,1,0,0,1,0|0,0,0]=2 1329 B12R1.12 Cc1ccc(cc1)[C@H](C=O)OC Amb25829013 [0,1,0,0,1,0|2,0,0]=4 1330 B12R1.12 NCC(c1ccc(cc1)Br)OC Amb17344449 [0,1,0,0,1,0|2,0,0]=4 1331 B12R1.12 NCC(c1ccc(cc1)Cl)OC Amb17335809 [0,1,0,0,1,0|2,0,0]=4 1332 B12R1.13 CCC(NC)c1cccc(F)c1 Amb19000445 [0,1,0,0,1,0|2,0,0]=4 1333 B12R1.13 CCC(NC)c1cccc(I)c1 Amb24642103 [0,1,0,0,1,0|2,0,0]=4 1334 B12R1.13 CCC(OC)c1cccc(Br)c1 Amb23443782 [0,1,0,0,1,0|1,0,0]=3 1335 B12R1.13 CCC(OC)c1cccc(N)c1 Amb23443785 [0,1,0,0,1,0|1,0,0]=3 1336 B12R1.13 CCC(OC)c1cccc(S)c1 Amb23443781 [0,1,0,0,1,0|1,0,0]=3 1337 B12R1.13 CCC(SC)c1cccc(N)c1 Amb25132178 [0,1,0,0,1,0|1,1,0]=4 1338 B12R1.13 CCC(c1cccc(c1)Cl)NC Amb1128373 [0,1,0,0,1,0|2,0,0]=4 1339 B12R1.13 CCN(OC)c1cccc(N)c1 Amb25281519 [0,1,0,0,1,0|2,0,0]=4 1340 B12R1.13 COB(OC)c1cccc(N)c1 Amb24399835 [0,1,0,0,1,0|1,0,0]=3 1341 B12R1.13 COB(OC)c1cccc(O)c1 Amb25830029 [0,1,0,0,1,0|1,0,0]=3 1342 B12R1.13 COC(C#N)c1cccc(Cl)c1 Amb19148908 [0,1,0,0,1,0|2,0,0]=4 1343 B12R1.13 COC(C#N)c1cccc(F)c1 Amb24367033 [0,1,0,0,1,0|2,0,0]=4 1344 B12R1.13 COC(C=O)c1cccc(Cl)c1 Amb24434154 [0,1,0,0,1,0|2,0,0]=4 1345 B12R1.13 COC(C=O)c1cccc(O)c1 Amb25352148 [0,1,0,0,1,0|2,0,0]=4 1346 B12R1.13 COC(CBr)c1cc(Br)ccc1 Amb25099785 [0,1,0,0,1,0|2,0,0]=4 1347 B12R1.13 COC(CBr)c1cccc(F)c1 Amb25667134 [0,1,0,0,1,0|2,0,0]=4 1348 B12R1.13 COC(CI)c1cccc(Br)c1 Amb24618952 [0,1,0,0,1,0|2,0,0]=4 1349 B12R1.13 COC(CI)c1cccc(F)c1 Amb25823221 [0,1,0,0,1,0|2,0,0]=4 1350 B12R1.13 COC(CN)c1cccc(Cl)c1 Amb19148902 [0,1,0,0,1,0|2,0,0]=4 1351 B12R1.13 COC(CN)c1cccc(I)c1 Amb24343626 [0,1,0,0,1,0|2,0,0]=4 1352 B12R1.13 COC(CN)c1cccc(O)c1 Amb24579215 [0,1,0,0,1,0|2,0,0]=4 1353 B12R1.13 COC(OC)c1cc(Cl)[n]c[n]1 Amb22900033 [0,1,0,0,1,0|2,0,0]=4 1354 B12R1.13 COC(OC)c1cc(O)[n]c[n]1 Amb25113867 [0,1,0,0,1,0|2,0,0]=4 1355 B12R1.13 COC(OC)c1cc[n]c(Cl)[n]1 Amb25102229 [0,1,0,0,1,0|2,0,0]=4 1356 B12R1.13 COC(OC)c1cc[n]c(Cl)c1 Amb25795429 [0,1,0,0,1,0|1,0,0]=3 1357 B12R1.13 COC(OC)c1cccc(Br)[n]1 Amb25055255 [0,1,0,0,1,0|1,0,0]=3 1358 B12R1.13 COC(OC)c1cccc(Cl)c1 Amb24092692 [0,1,0,0,1,0|0,0,0]=2 1359 B12R1.13 COC(OC)c1cccc(O)c1 Amb25717781 [0,1,0,0,1,0|0,0,0]=2 1360 B12R1.13 COC(OC)c1cccc(S)[n]1 Amb25212717 [0,1,0,0,1,0|1,0,0]=3 1361 B12R1.13 COC(c1cccc(c1)Br)CN Amb17605858 [0,1,0,0,1,0|2,0,0]=4 1362 B12R1.13 COC(c1cccc(c1)Br)OC Amb10601608 [0,1,0,0,1,0|0,0,0]=2 1363 B12R1.13 COC(c1cccc(c1)Cl)CN Amb17605898 [0,1,0,0,1,0|2,0,0]=4 1364 B12R1.13 COC(c1cccc(c1)N)OC Amb10571314 [0,1,0,0,1,0|0,0,0]=2 1365 B12R1.13 COC(c1ccnc(n1)N)OC Amb1087921 [0,1,0,0,1,0|2,0,0]=4 1366 B12R1.13 COC(c1cncc(c1)Br)OC Amb10067366 [0,1,0,0,1,0|1,0,0]=3 1367 B12R1.13 COC(c1cncc(c1)I)OC Amb13889926 [0,1,0,0,1,0|1,0,0]=3 1368 B12R1.13 Cc1cc([n]c[n]1)C(OC)OC Amb23555698 [0,1,0,0,1,0|2,0,0]=4 1369 B12R1.13 Cc1cccc([n]1)C(CC)OC Amb24632207 [0,1,0,0,1,0|2,0,0]=4 1370 B12R1.13 Cc1cccc([n]1)C(OC)OC Amb24525730 [0,1,0,0,1,0|1,0,0]=3 1371 B12R1.13 Cc1cccc(c1)C(CC)NC Amb18968341 [0,1,0,0,1,0|2,0,0]=4 1372 B12R1.13 Cc1cccc(c1)C(CI)OC Amb25188246 [0,1,0,0,1,0|2,0,0]=4 1373 B12R1.13 Cc1cccc(c1)C(CN)OC Amb18980157 [0,1,0,0,1,0|2,0,0]=4 1374 B12R1.243 CCC(CC)c1ccccc1N Amb24400405 [0,1,0,0,1,0|2,0,0]=4 1375 B12R1.243 CCC(CC)c1ccccc1O Amb24676779 [0,1,0,0,1,0|2,0,0]=4 1376 B12R1.243 CCC(NC)c1ccccc1Cl Amb19057380 [0,1,0,0,1,0|2,0,0]=4 1377 B12R1.243 CCC(NC)c1ccccc1I Amb25057922 [0,1,0,0,1,0|2,0,0]=4 1378 B12R1.243 CCC(OC)c1ccccc1O Amb24706761 [0,1,0,0,1,0|1,0,0]=3 1379 B12R1.243 CCC(c1ccccc1F)NC Amb10840806 [0,1,0,0,1,0|2,0,0]=4 1380 B12R1.243 CCC(c1ccccc1O)NC Amb1119874 [0,1,0,0,1,0|2,0,0]=4 1381 B12R1.243 CC[C@H](NC)c1ccccc1F Amb25279369 [0,1,0,0,1,0|2,0,0]=4 1382 B12R1.243 COC(C#N)c1ccccc1Cl Amb20668091 [0,1,0,0,1,0|2,0,0]=4 1383 B12R1.243 COC(C#N)c1ccccc1F Amb25123031 [0,1,0,0,1,0|2,0,0]=4 1384 B12R1.243 COC(CBr)c1ccccc1Cl Amb25707157 [0,1,0,0,1,0|2,0,0]=4 1385 B12R1.243 COC(CN)c1ccccc1Br Amb18293119 [0,1,0,0,1,0|2,0,0]=4 1386 B12R1.243 COC(CN)c1ccccc1Cl Amb20629933 [0,1,0,0,1,0|2,0,0]=4 1387 B12R1.243 COC(CN)c1ccccc1O Amb24756886 [0,1,0,0,1,0|2,0,0]=4 1388 B12R1.243 COC(CO)c1ccccc1Cl Amb25158083 [0,1,0,0,1,0|2,0,0]=4 1389 B12R1.243 COC(OC)c1[n]cc[n]c1N Amb25195456 [0,1,0,0,1,0|2,0,0]=4 1390 B12R1.243 COC(OC)c1c[n]c[n]c1N Amb24373190 [0,1,0,0,1,0|2,0,0]=4 1391 B12R1.243 COC(OC)c1c[n]ccc1Br Amb25359132 [0,1,0,0,1,0|1,0,0]=3 1392 B12R1.243 COC(OC)c1cc[n]cc1Br Amb25854229 [0,1,0,0,1,0|1,0,0]=3 1393 B12R1.243 COC(OC)c1ccc[n]c1Br Amb25244161 [0,1,0,0,1,0|1,0,0]=3 1394 B12R1.243 COC(OC)c1ccccc1Br Amb20242663 [0,1,0,0,1,0|0,0,0]=2 1395 B12R1.243 COC(OC)c1ccccc1F Amb19895505 [0,1,0,0,1,0|0,0,0]=2 1396 B12R1.243 COC(OC)c1ccccc1I Amb20242836 [0,1,0,0,1,0|0,0,0]=2 1397 B12R1.243 COC(c1ccccc1C)CN Amb17605868 [0,1,0,0,1,0|2,0,0]=4 1398 B12R1.243 COC(c1ccccc1Cl)CN Amb17605860 [0,1,0,0,1,0|2,0,0]=4 1399 B12R1.243 C\C=C(\OC)/c1ccccc1O Amb24654968 [0,1,0,0,1,0|1,0,1]=4 1400 B12R1.243 C\N=C(\OC)/c1ccccc1O Amb24456560 [0,1,0,0,1,0|1,0,1]=4 1401 B12R1.243 Cc1ccccc1C(C#N)OC Amb25150131 [0,1,0,0,1,0|2,0,0]=4 1402 B12R1.243 Cc1ccccc1C(CC)NC Amb18301845 [0,1,0,0,1,0|2,0,0]=4 1403 B12R1.475 CC(OC)(OC)c1cc[n]c[n]1 Amb25172368 [0,1,0,0,1,0|2,0,0]=4 1404 B12R1.475 CCC(C)(NC)c1ccccc1 Amb24352807 [0,1,0,0,1,0|2,0,0]=4 1405 B12R1.475 CCC(N)(CC)c1ccccc1 Amb19957478 [0,1,0,0,1,0|2,0,0]=4 1406 B12R1.475 COC(C)(C=O)c1ccccc1 Amb18646077 [0,1,0,0,1,0|2,0,0]=4 1407 B12R1.475 COC(C)(CBr)c1ccccc1 Amb25741588 [0,1,0,0,1,0|2,0,0]=4 1408 B12R1.475 COC(C)(CCl)c1ccccc1 Amb25322139 [0,1,0,0,1,0|2,0,0]=4 1409 B12R1.475 COC(F)(CCl)c1ccccc1 Amb25034745 [0,1,0,0,1,0|2,0,0]=4 1410 B12R1.475 COC(O)(CCl)c1ccccc1 Amb24711228 [0,1,0,0,1,0|2,0,0]=4 1411 B12R1.475 COC(O)(OC)c1ccccc1 Amb22749916 [0,1,0,0,1,0|0,0,0]=2 1412 B12R1.475 NCC(c1ccccc1)(OC)C Amb17605899 [0,1,0,0,1,0|2,0,0]=4 1413 B12R1.475 OCC(c1ccccc1)(OC)C Amb16218119 [0,1,0,0,1,0|2,0,0]=4 1414 B12R1.475 [2H]C(CC)(CC)c1ccccc1 Amb22345960 [0,1,0,0,1,0|2,0,0]=4 1415 B12R1.478 CC(=O)C(OC)c1c[n]ccc1 Amb25115527 [0,1,0,0,1,0|2,0,0]=4 1416 B12R1.478 CC(C)C(CC)c1ccccc1 Amb25281082 [0,1,0,0,1,0|2,0,0]=4 1417 B12R1.478 CC(C)C(OC)c1ccccc1 Amb23568503 [0,1,0,0,1,0|1,0,0]=3 1418 B12R1.478 CC(N)C(CC)c1ccccc1 Amb25667182 [0,1,0,0,1,0|2,0,0]=4 1419 B12R1.478 CC(N)C(OC)c1c[n]ccc1 Amb18980566 [0,1,0,0,1,0|2,0,0]=4 1420 B12R1.478 CC(N)C(OC)c1cc[n]cc1 Amb18980590 [0,1,0,0,1,0|2,0,0]=4 1421 B12R1.478 CC(N)C(OC)c1cccc[n]1 Amb18980549 [0,1,0,0,1,0|2,0,0]=4 1422 B12R1.478 CC(N)C(OC)c1ccccc1 Amb18980113 [0,1,0,0,1,0|1,0,0]=3 1423 B12R1.478 CC(N)C(SC)c1ccccc1 Amb18980114 [0,1,0,0,1,0|1,1,0]=4 1424 B12R1.478 CC(O)C(NC)c1ccccc1 Amb18646387 [0,1,0,0,1,0|2,0,0]=4 1425 B12R1.478 CC(O)C(OC)c1ccccc1 Amb25700350 [0,1,0,0,1,0|1,0,0]=3 1426 B12R1.478 CC(O)C(SC)c1ccccc1 Amb25796298 [0,1,0,0,1,0|1,1,0]=4 1427 B12R1.478 CC[C@@H](c1ccccc1)N(C)C Amb24385295 [0,1,0,0,1,0|2,0,0]=4 1428 B12R1.478 COC(C(F)Cl)c1ccccc1 Amb25362062 [0,1,0,0,1,0|2,0,0]=4 1429 B12R1.478 COC(C([O-])=O)c1ccccc1 Amb23440840 [0,1,0,0,1,0|2,0,0]=4 1430 B12R1.478 COC(C([O-])=O)c1ccccc1 Amb24325342 [0,1,0,0,1,0|2,0,0]=4 1431 B12R1.478 COC(c1ccccc1)C(=O)C Amb10562726 [0,1,0,0,1,0|1,0,0]=3 1432 B12R1.478 COC(c1ccccc1)C(=O)N Amb10769824 [0,1,0,0,1,0|2,0,0]=4 1433 B12R1.478 COC(c1ccccc1)C(=O)O Amb2099459 [0,1,0,0,1,0|2,0,0]=4 1434 B12R1.478 CO[C@@H](C(N)=O)c1ccccc1 Amb25363386 [0,1,0,0,1,0|2,0,0]=4 1435 B12R1.478 C[C@@H](Cl)[C@@H](OC)c1ccccc1 Amb24390884 [0,1,0,0,1,0|1,0,0]=3 1436 B12R1.478 C[C@@H](O)[C@@H](CC)c1ccccc1 Amb25347649 [0,1,0,0,1,0|2,0,0]=4 1437 B12R1.478 C[C@@H](O)[C@@H](SC)c1ccccc1 Amb25332276 [0,1,0,0,1,0|1,1,0]=4 1438 B12R1.478 C[C@H](Cl)[C@@H](OC)c1ccccc1 Amb24726335 [0,1,0,0,1,0|1,0,0]=3 1439 B12R1.478 C[C@H](N)C(OC)c1ccccc1 Amb25106860 [0,1,0,0,1,0|1,0,0]=3 1440 B12R1.478 C[C@H](N)[C@@H](OC)c1ccccc1 Amb25309446 [0,1,0,0,1,0|1,0,0]=3 1441 B12R1.478 C[C@H](N)[C@H](OC)c1ccccc1 Amb24594937 [0,1,0,0,1,0|1,0,0]=3 1442 B12R1.478 C[C@H](O)[C@@H](OC)c1ccccc1 Amb24403890 [0,1,0,0,1,0|1,0,0]=3 1443 B12R1.478 C[C@H](O)[C@H](CC)c1ccccc1 Amb24497690 [0,1,0,0,1,0|2,0,0]=4 1444 B12R1.478 C[C@H](O)[C@H](NC)c1ccccc1 Amb24341991 [0,1,0,0,1,0|2,0,0]=4 1445 B12R1.478 [C@H](C)(O)C(CC)c1ccccc1 Amb17678947 [0,1,0,0,1,0|2,0,0]=4 1446 B14R1.58 CN(CC(OC)OC)c1c[n]ccc1 Amb24062312 [0,1,0,0,0,1|1,0,0]=3 1447 B14R1.58 C[C@H]([NH2+]C(CC)CC)c1ccccc1 Amb22049557 [0,1,0,0,0,1|2,0,0]=4 1448 B14R1.387 CCC(CC)NCc1ccccc1F Amb22587999 [0,1,0,0,0,1|2,0,0]=4 1449 B14R1.387 COC(CNc1[n]c[n]cc1I)OC Amb23589496 [0,1,0,0,0,1|2,0,0]=4 1450 B14R1.387 COC(CNc1[n]cc[n]c1Cl)OC Amb22261515 [0,1,0,0,0,1|2,0,0]=4 1451 B14R1.387 COC(COc1ccc[n]c1N)OC Amb24085147 [0,1,0,0,0,1|1,0,0]=3 1452 B14R1.387 COC(COc1ccccc1C)OC Amb2444983 [0,1,0,0,0,1|0,0,0]=2 1453 B14R1.387 COC(CSc1ccccc1Br)OC Amb22263158 [0,1,0,0,0,1|0,0,0]=2 1454 B14R1.529 COC(CNc1ccc(Cl)cc1)OC Amb20668785 [0,1,0,0,0,1|0,0,0]=2 1455 B14R1.529 COC(CNc1ccc(cn1)Br)OC Amb2447598 [0,1,0,0,0,1|1,0,0]=3 1456 B14R1.529 COC(CNc1ccc(cn1)N)OC Amb17042268 [0,1,0,0,0,1|1,0,0]=3 1457 B14R1.529 COC(CNc1ccc(nc1)N)OC Amb17042226 [0,1,0,0,0,1|1,0,0]=3 1458 B14R1.529 COC(CNc1ncc(cn1)Br)OC Amb2447574 [0,1,0,0,0,1|2,0,0]=4 1459 B14R1.529 COC(COc1ccc(Br)cc1)OC Amb17739830 [0,1,0,0,0,1|0,0,0]=2 1460 B14R1.529 COC(CSc1ccc(Br)cc1)OC Amb19515786 [0,1,0,0,0,1|0,0,0]=2 1461 B14R1.529 COC(CSc1ccc(Cl)c[n]1)OC Amb24271504 [0,1,0,0,0,1|1,0,0]=3 1462 B14R1.529 Cc1ccc(cc1)OCC(OC)OC Amb22008332 [0,1,0,0,0,1|0,0,0]=2 1463 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 Amb25766454 [0,1,0,0,0,1|1,0,1]=4 1464 B14R1.532 COC(OC)C(=O)Nc1ccccc1 Amb19958884 [0,1,0,0,0,1|0,0,1]=3 1465 B14R1.547 COC(CNc1cc(Cl)[n]c[n]1)OC Amb19889639 [0,1,0,0,0,1|2,0,0]=4 1466 B14R1.547 COC(CNc1cccc(Cl)c1)OC Amb22059302 [0,1,0,0,0,1|0,0,0]=2 1467 B14R1.547 COC(CSc1cccc(Br)c1)OC Amb22263152 [0,1,0,0,0,1|0,0,0]=2 1468 B14R1.547 Cc1cccc(c1)OCC(OC)OC Amb22227541 [0,1,0,0,0,1|0,0,0]=2 1469 B14R1.979 CCC(CNC)OCc1ccccc1 Amb19062005 [0,1,0,0,0,1|2,0,0]=4 1470 B14R1.979 CCC(CSC)NCc1ccccc1 Amb25734116 [0,1,0,0,0,1|1,1,0]=4 1471 B14R1.979 CCCC(CC)NCc1ccccc1 Amb19078698 [0,1,0,0,0,1|2,0,0]=4 1472 B14R1.979 CC[C@@H](CCO)OCc1ccccc1 Amb25271921 [0,1,0,0,0,1|2,0,0]=4 1473 B14R1.979 CC[C@@H](COC)NCc1ccccc1 Amb25241971 [0,1,0,0,0,1|1,0,0]=3 1474 B14R1.979 CNC(COC)C#Cc1ccccc1 Amb25784107 [0,1,0,0,0,1|1,0,1]=4 1475 B14R1.979 CN[C@H](CNc1ccccc1)CCO Amb24079762 [0,1,0,0,0,1|2,0,0]=4 1476 B14R1.979 COC(CCO)C#Cc1ccccc1 Amb25332200 [0,1,0,0,0,1|1,0,1]=4 1477 B14R1.979 COCC(C=C)NCc1ccccc1 Amb25819331 [0,1,0,0,0,1|1,0,1]=4 1478 B14R1.979 COCC(CN)NCc1ccccc1 Amb25738039 [0,1,0,0,0,1|2,0,0]=4 1479 B14R1.979 COC[C@H](C=O)OCc1ccccc1 Amb25718370 [0,1,0,0,0,1|2,0,0]=4 1480 B14R1.979 COC[C@H](CO)NCc1ccccc1 Amb24466918 [0,1,0,0,0,1|2,0,0]=4 1481 B14R1.979 COC[C@H](CO)OCc1ccccc1 Amb25837925 [0,1,0,0,0,1|2,0,0]=4 1482 B14R1.979 C\C=C\C(CC)NCc1ccccc1 Amb24512235 [0,1,0,0,0,1|2,0,0]=4 1483 B14R1.2928 COP(=O)(OCc1ccccc1)OC Amb25194785 [0,1,0,0,0,1|1,0,0]=3 1484 B14R1.2928 C[Si](OCc1ccccc1)(OC)OC Amb25082066 [0,1,0,0,0,1|0,1,0]=3 1485 B14R1.4194 CC(Cl)C(CC)NCc1ccccc1 Amb24570965 [0,1,0,0,0,1|2,0,0]=4 1486 B14R1.4194 CC(N)C(CC)OCc1ccccc1 Amb18651621 [0,1,0,0,0,1|2,0,0]=4 1487 B14R1.4194 CC(O)C(CC)OCc1ccccc1 Amb25191119 [0,1,0,0,0,1|2,0,0]=4 1488 B14R1.4194 CC(O)[C@H](CC)OCc1ccccc1 Amb24379912 [0,1,0,0,0,1|2,0,0]=4 1489 B14R1.4194 C[C@@H](N)[C@@H](CC)OCc1ccccc1 Amb25724406 [0,1,0,0,0,1|2,0,0]=4 1490 B14R1.4194 C[C@H](O)[C@@H](CC)NCc1ccccc1 Amb24366625 [0,1,0,0,0,1|2,0,0]=4 1491 B14R1.72 Cc1ccc(CC(CC)NCC)cc1 Amb19050316 [0,2,0,0,0,0|2,0,0]=4 1492 B14R1.467 COCCN(Cc1ccccc1)CC Amb13976383 [0,2,0,0,0,0|2,0,0]=4 1493 B14R1.478 CCNC(CC)C(O)c1ccccc1 Amb18093006 [0,2,0,0,0,0|2,0,0]=4 1494 B14R1.494 CCNC(COC)Cc1ccccc1 Amb19051272 [0,2,0,0,0,0|1,0,0]=3 1495 B14R1.494 CCOC(Cc1ccccc1)OCC Amb10880678 [0,2,0,0,0,0|0,0,0]=2 1496 B14R1.494 CCOC(OCC)[SiH2]c1c[n]ccc1 Amb24085658 [0,2,0,0,0,0|1,1,0]=4 1497 B14R1.494 COCN(Cc1ccccc1)COC Amb25308465 [0,2,0,0,0,0|1,0,0]=3 1498 B14R1.980 CCOC(Cc1ccccc1)C(O)=O Amb23320687 [0,2,0,0,0,0|2,0,0]=4 1499 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC Amb19050998 [0,2,0,0,0,0|2,0,0]=4 1500 B14R1.1031 CCN(Cc1ccccc1)C(=O)OC Amb24448645 [0,2,0,0,0,0|2,0,0]=4 1501 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC Amb22463164 [0,2,0,0,0,0|1,0,0]=3 1502 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC Amb22745351 [0,2,0,0,0,0|1,0,0]=3 1503 B14R1.1031 COC(=O)C(Cc1ccccc1)C#N Amb17336069 [0,2,0,0,0,0|2,0,0]=4 1504 B14R1.1031 COC(=O)C(Cc1ccccc1)OC Amb22499910 [0,2,0,0,0,0|0,0,0]=2 1505 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC Amb22747354 [0,2,0,0,0,0|0,0,0]=2 1506 B14R1.1031 CON(Cc1ccccc1)C(=O)CCl Amb24391677 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.1031 CON(Cc1ccccc1)C(=O)CN Amb25826534 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.1031 OCC(C(=O)OC)Cc1ccccc1 Amb10608962 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.88 CCC(NC)C(O)c1ccc(Br)cc1 Amb18604998 [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.88 CCC(NC)C(O)c1ccc(Cl)cc1 Amb18605051 [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.88 CCC(NC)C(O)c1ccc(F)cc1 Amb18605161 [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.88 COC(C(=O)c1ccc(cc1)C)OC Amb10559990 [0,2,0,0,0,0|0,0,1]=3 1513 B14R1.88 COC(OC)C(=O)c1ccc(F)cc1 Amb24066054 [0,2,0,0,0,0|0,0,1]=3 1514 B14R1.88 Cc1ccc(cc1)C(C)C(OC)OC Amb24066881 [0,2,0,0,0,0|0,0,0]=2 1515 B14R1.1017 COC(N(c1ccccc1)C)C(C)C Amb10559526 [0,2,0,0,0,0|2,0,0]=4 1516 B14R1.2883 COP(=O)(OC)C(=O)c1ccccc1 Amb17938171 [0,2,0,0,0,0|1,0,1]=4 1517 B14R1.2883 COP(=O)(OC)C(O)c1ccccc1 Amb22461397 [0,2,0,0,0,0|1,0,0]=3 1518 B14R1.2883 COP(=O)(OC)[13C](=O)c1ccccc1 Amb17843742 [0,2,0,0,0,0|1,0,1]=4 1519 B14R1.2883 CO[C@@](C)(C#C)[C@@H](O)c1ccccc1 Amb24748477 [0,2,0,0,0,0|1,0,1]=4 1520 B14R1.3624 COC(OC)C(=O)c1ccccc1N Amb22462417 [0,2,0,0,0,0|0,0,1]=3 1521 B14R1.6 COC(Cc1ccc(OC)cc1)OC Amb17689195 [0,2,0,0,0,0|0,0,0]=2 1522 B14R1.536 CC(C)C(Cc1ccc(Br)cc1)NC Amb18229987 [0,2,0,0,0,0|2,0,0]=4 1523 B14R1.536 CC(C)C(Cc1ccc(F)cc1)NC Amb19052632 [0,2,0,0,0,0|2,0,0]=4 1524 B14R1.536 CCC(C(=O)C)Cc1ccc(cc1)Br Amb17264257 [0,2,0,0,0,0|2,0,0]=4 1525 B14R1.536 CCC(C(=O)C)Cc1ccc(cc1)C Amb17234960 [0,2,0,0,0,0|2,0,0]=4 1526 B14R1.536 CCC(C(=O)C)Cc1ccc(cc1)Cl Amb17240773 [0,2,0,0,0,0|2,0,0]=4 1527 B14R1.536 CCC(C(=O)C)Cc1ccc(cc1)F Amb17235957 [0,2,0,0,0,0|2,0,0]=4 1528 B14R1.536 COC(C(=O)O)Cc1ccc(cc1)Cl Amb16233253 [0,2,0,0,0,0|2,0,0]=4 1529 B14R1.536 COC(Cc1ccc(Br)cc1)C(O)=O Amb23321116 [0,2,0,0,0,0|2,0,0]=4 1530 B14R1.536 COC(Cc1ccc(F)cc1)C(O)=O Amb23320970 [0,2,0,0,0,0|2,0,0]=4 1531 B14R1.536 COC(Cc1ccc(I)cc1)C(O)=O Amb23321146 [0,2,0,0,0,0|2,0,0]=4 1532 B14R1.536 Cc1ccc(CC(OC)C(O)=O)cc1 Amb23320726 [0,2,0,0,0,0|2,0,0]=4 1533 B14R1.3634 CC(Cc1ccc(F)cc1)(C#N)OC Amb24696099 [0,2,0,0,0,0|2,0,0]=4 1534 B14R1.3634 COP(=O)(Cc1ccc(cc1)Br)OC Amb10068644 [0,2,0,0,0,0|1,0,0]=3 1535 B14R1.3634 COP(=O)(Cc1ccc(cc1)C)OC Amb10068656 [0,2,0,0,0,0|1,0,0]=3 1536 B14R1.3634 COP(=O)(Cc1ccc(cc1)F)OC Amb16187096 [0,2,0,0,0,0|1,0,0]=3 1537 B14R1.3634 COP(=O)(Nc1ccc(cc1)C)OC Amb10809743 [0,2,0,0,0,0|2,0,0]=4 1538 B14R1.4398 CCC(Cc1cc(F)c(F)cc1)NC Amb18049127 [0,2,0,0,0,0|2,0,0]=4 1539 B14R1.4398 CCC(Cc1ccc(F)c(Cl)c1)NC Amb18225438 [0,2,0,0,0,0|2,0,0]=4 1540 B14R1.4398 Cc1cc(CC(CC)NC)ccc1F Amb18049112 [0,2,0,0,0,0|2,0,0]=4 1541 B14R1.542 CCC(C(=O)C)Cc1cccc(c1)Br Amb17264255 [0,2,0,0,0,0|2,0,0]=4 1542 B14R1.542 CCC(C(=O)C)Cc1cccc(c1)C Amb17234958 [0,2,0,0,0,0|2,0,0]=4 1543 B14R1.542 CCC(C(=O)C)Cc1cccc(c1)Cl Amb17240771 [0,2,0,0,0,0|2,0,0]=4 1544 B14R1.542 COC(Cc1cccc(Br)c1)C(O)=O Amb23321086 [0,2,0,0,0,0|2,0,0]=4 1545 B14R1.542 COC(Cc1cccc(Cl)c1)C(O)=O Amb23321027 [0,2,0,0,0,0|2,0,0]=4 1546 B14R1.542 Cc1cc(CC(OC)C(O)=O)ccc1 Amb23320709 [0,2,0,0,0,0|2,0,0]=4 1547 B14R1.3635 COP(=O)(Cc1cccc(c1)C)OC Amb10068655 [0,2,0,0,0,0|1,0,0]=3 1548 B14R1.3635 COP(=O)(Nc1cccc(Cl)c1)OC Amb22448413 [0,2,0,0,0,0|2,0,0]=4 1549 B14R1.4390 CCC(Cc1cc(Cl)ccc1F)NC Amb18225457 [0,2,0,0,0,0|2,0,0]=4 1550 B14R1.550 CCC(C(=O)C)Cc1ccccc1C Amb17234956 [0,2,0,0,0,0|2,0,0]=4 1551 B14R1.550 CCC(C(=O)C)Cc1ccccc1Cl Amb17240769 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.550 CCC(C(=O)C)Cc1ccccc1F Amb17235955 [0,2,0,0,0,0|2,0,0]=4 1553 B14R1.550 COC(Cc1ccccc1Cl)C(O)=O Amb23320999 [0,2,0,0,0,0|2,0,0]=4 1554 B14R1.550 COC(Cc1ccccc1F)C(O)=O Amb23320945 [0,2,0,0,0,0|2,0,0]=4 1555 B14R1.550 Cc1ccccc1CC(OC)C(O)=O Amb23320703 [0,2,0,0,0,0|2,0,0]=4 1556 B14R1.2947 CC(Cc1ccccc1F)(C#N)OC Amb25376627 [0,2,0,0,0,0|2,0,0]=4 1557 B14R1.2947 COP(=O)(Cc1ccccc1C)OC Amb10068654 [0,2,0,0,0,0|1,0,0]=3 1558 B14R1.2947 COP(=S)(Nc1ccccc1N)OC Amb25821358 [0,2,0,0,0,0|2,0,0]=4 1559 B14R1.3136 COC(Cc1[n]cccc1C#N)OC Amb22263912 [0,2,0,0,0,0|1,0,0]=3 1560 B14R1.4513 CC(=O)C(Cc1ccccc1)C(C)=O Amb17778962 [0,2,0,0,0,0|2,0,0]=4 1561 B14R1.6936 CCC(Cc1ccccc1)(C#N)CC Amb17333918 [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.6936 CCC(Cc1ccccc1)(CN)CC Amb17333879 [0,2,0,0,0,0|2,0,0]=4 1563 B14R1.6936 COC(Cc1c[n]ccc1)(OC)OC Amb19082377 [0,2,0,0,0,0|1,0,0]=3 1564 B14R1.6936 COC(Cc1cc[n]cc1)(OC)OC Amb19082378 [0,2,0,0,0,0|1,0,0]=3 1565 B14R1.6936 COC(Cc1cccc[n]1)(OC)OC Amb23402551 [0,2,0,0,0,0|1,0,0]=3 1566 B14R1.6936 COC(Cc1ccccc1)(OC)OC Amb17673179 [0,2,0,0,0,0|0,0,0]=2 1567 B14R1.6936 CO[Si](Cc1ccccc1)(OC)OC Amb22336547 [0,2,0,0,0,0|0,1,0]=3 1568 B12R1.297 COC(CSc1ccc[s]1)OC Amb22586501 [0,0,1,1,0,0|2,0,0]=4 1569 B12R2.11 Br[C@@H]1C[C@@H]1Cc2ccccc2 Amb25280103 [1,0,0,1,0,0|2,0,0]=4 1570 B12R2.11 CC1CC1Nc2ccccc2 Amb24743217 [1,0,0,1,0,0|2,0,0]=4 1571 B12R2.11 C[C@H]1C[C@@H]1Nc2ccccc2 Amb24581235 [1,0,0,1,0,0|2,0,0]=4 1572 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [1,0,0,1,0,0|2,0,0]=4 1573 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [1,0,0,1,0,0|2,0,0]=4 1574 B12R2.11 OC1CC1Cc2ccccc2 Amb25145316 [1,0,0,1,0,0|2,0,0]=4 1575 B12R2.11 O[C@H]1C[C@@H]1Cc2ccccc2 Amb25326057 [1,0,0,1,0,0|2,0,0]=4 1576 B12R2.18 C=C1C(O)Cc2ccccc21 Amb24576594 [1,0,0,1,0,0|1,0,1]=4 1577 B12R2.18 CC1C(C)Nc2c1cccc2 Amb17593676 [1,0,0,1,0,0|2,0,0]=4 1578 B12R2.18 CC1C(N)Cc2ccccc21 Amb18124847 [1,0,0,1,0,0|2,0,0]=4 1579 B12R2.18 CC1C(O)Cc2ccccc21 Amb20622729 [1,0,0,1,0,0|1,0,0]=3 1580 B12R2.18 CC1Cc2ccccc2C1Br Amb25106421 [1,0,0,1,0,0|2,0,0]=4 1581 B12R2.18 CC1Cc2ccccc2C1Cl Amb18183547 [1,0,0,1,0,0|2,0,0]=4 1582 B12R2.18 CC1Cc2ccccc2C1N Amb19373701 [1,0,0,1,0,0|2,0,0]=4 1583 B12R2.18 CC1Cc2ccccc2N1N Amb24065299 [1,0,0,1,0,0|2,0,0]=4 1584 B12R2.18 CC=1c2ccccc2CC1C Amb21948330 [1,0,0,1,0,0|1,0,1]=4 1585 B12R2.18 CN1C(C)Cc2c[n]ccc12 Amb25677255 [1,0,0,1,0,0|2,0,0]=4 1586 B12R2.18 CN1[C@H](C)Cc2ccccc12 Amb24068204 [1,0,0,1,0,0|1,0,0]=3 1587 B12R2.18 C[C@@H]1Cc2ccccc2C1=O Amb25282759 [1,0,0,1,0,0|2,0,0]=4 1588 B12R2.18 C[C@@H]1Cc2ccccc2[C@@H]1N Amb24578752 [1,0,0,1,0,0|2,0,0]=4 1589 B12R2.18 C[C@@H]1[C@@H](O)Cc2ccccc21 Amb25176418 [1,0,0,1,0,0|1,0,0]=3 1590 B12R2.18 C[C@@H]1[C@H](O)Cc2cc[n]cc21 Amb23604478 [1,0,0,1,0,0|2,0,0]=4 1591 B12R2.18 C[C@@H]1[C@H](O)Cc2ccccc21 Amb24546023 [1,0,0,1,0,0|1,0,0]=3 1592 B12R2.18 C[C@H]1[C@@H](N)Cc2ccccc21 Amb24562844 [1,0,0,1,0,0|2,0,0]=4 1593 B12R2.18 NC1C(C)Cc2c1cccc2 Amb17232033 [1,0,0,1,0,0|2,0,0]=4 1594 B12R2.18 NC1[C@H](O)Cc2ccccc21 Amb24401902 [1,0,0,1,0,0|2,0,0]=4 1595 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 Amb10842191 [1,0,0,1,0,0|2,0,0]=4 1596 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 Amb17779311 [1,0,0,1,0,0|2,0,0]=4 1597 B12R2.18 N[C@H]1C(O)Cc2ccccc21 Amb24427360 [1,0,0,1,0,0|2,0,0]=4 1598 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 Amb10842210 [1,0,0,1,0,0|2,0,0]=4 1599 B12R2.18 OC1Cc2ccccc2C1=O Amb25342077 [1,0,0,1,0,0|2,0,0]=4 1600 B12R2.18 OC1Cc2ccccc2C1Br Amb25785578 [1,0,0,1,0,0|2,0,0]=4 1601 B12R2.18 OC1Cc2ccccc2C1F Amb24672733 [1,0,0,1,0,0|2,0,0]=4 1602 B12R2.18 OC1Cc2ccccc2C1O Amb24323306 [1,0,0,1,0,0|2,0,0]=4 1603 B12R2.18 OC1Cc2ccccc2C1S Amb24430077 [1,0,0,1,0,0|2,0,0]=4 1604 B12R2.18 O[C@@H]1Cc2ccccc2C1=O Amb24725355 [1,0,0,1,0,0|2,0,0]=4 1605 B12R2.18 O[C@@H]1Cc2ccccc2[C@@H]1Cl Amb24650956 [1,0,0,1,0,0|2,0,0]=4 1606 B12R2.18 O[C@@H]1Cc2ccccc2[C@@H]1O Amb22800784 [1,0,0,1,0,0|2,0,0]=4 1607 B12R2.18 O[C@H]1Cc2ccccc2[C@@H]1Br Amb24682797 [1,0,0,1,0,0|2,0,0]=4 1608 B12R2.18 O[C@H]1Cc2ccccc2[C@@H]1F Amb25240021 [1,0,0,1,0,0|2,0,0]=4 1609 B12R2.18 O[C@H]1Cc2ccccc2[C@H]1O Amb22230411 [1,0,0,1,0,0|2,0,0]=4 1610 B12R2.18 O[C@H]1[C@H](O)Cc2c1cccc2 Amb10982589 [1,0,0,1,0,0|2,0,0]=4 1611 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [1,0,0,1,0,0|2,0,0]=4 1612 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [1,0,0,1,0,0|1,0,0]=3 1613 B12R2.23 C[C@@H]1NC[C@H]1c2ccccc2 Amb24618159 [1,0,0,1,0,0|1,0,0]=3 1614 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [1,0,0,1,0,0|2,0,0]=4 1615 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [1,0,0,1,0,0|2,0,0]=4 1616 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [1,0,0,1,0,0|2,0,0]=4 1617 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [1,0,0,1,0,0|1,0,0]=3 1618 B12R2.23 OC1CNC1c2ccccc2 Amb25680030 [1,0,0,1,0,0|2,0,0]=4 1619 B12R2.23 O[C@@H]1CC[C@H]1c2ccccc2 Amb24620488 [1,0,0,1,0,0|1,0,0]=3 1620 B12R2.23 O[C@@H]1CS[C@H]1c2ccccc2 Amb25334761 [1,0,0,1,0,0|2,0,0]=4 1621 B12R2.23 O[C@H]1CS[C@H]1c2ccccc2 Amb25176781 [1,0,0,1,0,0|2,0,0]=4 1622 B12R2.24 BrC1CCc2c(C1)cccc2 Amb13952699 [1,0,0,1,0,0|2,0,0]=4 1623 B12R2.24 CC1CCc2c(N1)cccc2 Amb2525824 [1,0,0,1,0,0|2,0,0]=4 1624 B12R2.24 CC1CCc2ccccc2N1 Amb22499773 [1,0,0,1,0,0|2,0,0]=4 1625 B12R2.24 CC1CCc2ccccc2O1 Amb19515436 [1,0,0,1,0,0|2,0,0]=4 1626 B12R2.24 CC1CCc2ccccc2S1 Amb25706129 [1,0,0,1,0,0|2,0,0]=4 1627 B12R2.24 CC1Cc2[n]cccc2CC1 Amb25187438 [1,0,0,1,0,0|2,0,0]=4 1628 B12R2.24 CC1Cc2[n]cccc2CN1 Amb18124940 [1,0,0,1,0,0|2,0,0]=4 1629 B12R2.24 CC1Cc2cc[n]cc2CN1 Amb24685008 [1,0,0,1,0,0|2,0,0]=4 1630 B12R2.24 CC1Cc2ccccc2CN1 Amb22755434 [1,0,0,1,0,0|1,0,0]=3 1631 B12R2.24 CC1Cc2ccccc2N=C1 Amb24682970 [1,0,0,1,0,0|2,0,0]=4 1632 B12R2.24 CC1Cc2ccccc2NC1 Amb22501042 [1,0,0,1,0,0|2,0,0]=4 1633 B12R2.24 CC1Cc2ccccc2OC1 Amb25189640 [1,0,0,1,0,0|2,0,0]=4 1634 B12R2.24 CC1Nc2ccccc2CS1 Amb24373918 [1,0,0,1,0,0|1,1,0]=4 1635 B12R2.24 CN1CCc2c(C1)cccc2 Amb2581727 [1,0,0,1,0,0|2,0,0]=4 1636 B12R2.24 CN1Cc2ccccc2CC1 Amb22001820 [1,0,0,1,0,0|2,0,0]=4 1637 B12R2.24 C[C@@H]1CCc2ccccc2N1 Amb22751676 [1,0,0,1,0,0|2,0,0]=4 1638 B12R2.24 C[C@@H]1Cc2ccccc2C=N1 Amb22747779 [1,0,0,1,0,0|1,0,1]=4 1639 B12R2.24 C[C@@H]1Cc2ccccc2CN1 Amb22751934 [1,0,0,1,0,0|1,0,0]=3 1640 B12R2.24 C[C@H]1CCc2ccccc2N1 Amb25138125 [1,0,0,1,0,0|2,0,0]=4 1641 B12R2.24 C[C@H]1Cc2[n]cccc2CC1 Amb24068759 [1,0,0,1,0,0|2,0,0]=4 1642 B12R2.24 C[C@H]1Cc2ccccc2C=N1 Amb25056784 [1,0,0,1,0,0|1,0,1]=4 1643 B12R2.24 C[C@H]1Cc2ccccc2CN1 Amb24087372 [1,0,0,1,0,0|1,0,0]=3 1644 B12R2.24 ClC1CCc2ccccc2C1 Amb17672772 [1,0,0,1,0,0|2,0,0]=4 1645 B12R2.24 ClC1Cc2ccccc2CO1 Amb25152704 [1,0,0,1,0,0|1,0,0]=3 1646 B12R2.24 IC1Cc2ccccc2CO1 Amb25811321 [1,0,0,1,0,0|1,0,0]=3 1647 B12R2.24 NC1CCc2c(C1)cccc2 Amb13952050 [1,0,0,1,0,0|2,0,0]=4 1648 B12R2.24 NC1CCc2c(C1)cccc2 Amb2383251 [1,0,0,1,0,0|2,0,0]=4 1649 B12R2.24 NC1Cc2ccccc2CO1 Amb24365192 [1,0,0,1,0,0|1,0,0]=3 1650 B12R2.24 N[C@H]1Cc2ccccc2CC1 Amb25113422 [1,0,0,1,0,0|2,0,0]=4 1651 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [1,0,0,1,0,0|0,0,2]=4 1652 B12R2.24 OC1CCc2ccccc2O1 Amb22230405 [1,0,0,1,0,0|2,0,0]=4 1653 B12R2.24 OC1Cc2[n]cccc2CC1 Amb24070827 [1,0,0,1,0,0|2,0,0]=4 1654 B12R2.24 OC1Cc2ccccc2NC1 Amb23590875 [1,0,0,1,0,0|2,0,0]=4 1655 B12R2.24 OC1Cc2ccccc2OC1 Amb22498287 [1,0,0,1,0,0|2,0,0]=4 1656 B12R2.24 OC1Cc2ccccc2SC1 Amb25832476 [1,0,0,1,0,0|2,0,0]=4 1657 B12R2.24 OC1OCc2c(C1)cccc2 Amb17593730 [1,0,0,1,0,0|0,0,0]=2 1658 B12R2.24 ON1Cc2ccccc2CC1 Amb24533074 [1,0,0,1,0,0|2,0,0]=4 1659 B12R2.24 O[C@@H]1Cc2ccccc2CC1 Amb25149682 [1,0,0,1,0,0|1,0,0]=3 1660 B12R2.24 O[C@H]1Cc2ccccc2C=C1 Amb25792328 [1,0,0,1,0,0|1,0,1]=4 1661 B12R2.24 O[C@H]1Cc2ccccc2CC1 Amb25043599 [1,0,0,1,0,0|1,0,0]=3 1662 B12R2.24 O[C@H]1Cc2ccccc2NC1 Amb24426871 [1,0,0,1,0,0|2,0,0]=4 1663 B12R2.24 SC1CCc2ccccc2C1 Amb17672773 [1,0,0,1,0,0|1,1,0]=4 1664 B12R2.27 BrCC1CC1c2ccccc2 Amb25099525 [1,0,0,1,0,0|2,0,0]=4 1665 B12R2.27 BrCC1OC1c2ccccc2 Amb25695964 [1,0,0,1,0,0|2,0,0]=4 1666 B12R2.27 BrC[C@@H]1O[C@@H]1c2ccccc2 Amb24540282 [1,0,0,1,0,0|2,0,0]=4 1667 B12R2.27 BrC[C@H]1O[C@@H]1c2ccccc2 Amb25287176 [1,0,0,1,0,0|2,0,0]=4 1668 B12R2.27 C#CC1CC1c2ccccc2 Amb22002424 [1,0,0,1,0,0|1,0,1]=4 1669 B12R2.27 C=CC1OC1c2ccccc2 Amb24624086 [1,0,0,1,0,0|1,0,1]=4 1670 B12R2.27 CNC1CC1c2ccccc2 Amb18957298 [1,0,0,1,0,0|1,0,0]=3 1671 B12R2.27 CNC1CC1c2ccccc2 Amb20630184 [1,0,0,1,0,0|1,0,0]=3 1672 B12R2.27 COC1OC1c2ccccc2 Amb24613179 [1,0,0,1,0,0|0,0,0]=2 1673 B12R2.27 CSC1CC1c2ccccc2 Amb25086341 [1,0,0,1,0,0|0,1,0]=3 1674 B12R2.27 ClCC1OC1c2ccccc2 Amb25169273 [1,0,0,1,0,0|2,0,0]=4 1675 B12R2.27 ClC[C@H]1O[C@@H]1c2ccccc2 Amb24568308 [1,0,0,1,0,0|2,0,0]=4 1676 B12R2.27 ClC[C@H]1O[C@H]1c2ccccc2 Amb24562256 [1,0,0,1,0,0|2,0,0]=4 1677 B12R2.27 N#CC1CC1c2ccccc2 Amb17231961 [1,0,0,1,0,0|2,0,0]=4 1678 B12R2.27 N#CC1OC1c2ccccc2 Amb17593640 [1,0,0,1,0,0|2,0,0]=4 1679 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 Amb25309014 [1,0,0,1,0,0|2,0,0]=4 1680 B12R2.27 N#C[C@H]1CC1c2ccccc2 Amb24544864 [1,0,0,1,0,0|2,0,0]=4 1681 B12R2.27 NCC1CC1c2ccccc2 Amb17232030 [1,0,0,1,0,0|2,0,0]=4 1682 B12R2.27 NCC1CC1c2ccccc2 Amb19515036 [1,0,0,1,0,0|2,0,0]=4 1683 B12R2.27 NCC1OC1c2ccccc2 Amb25836323 [1,0,0,1,0,0|2,0,0]=4 1684 B12R2.27 NC[C@@H]1CC1c2ccccc2 Amb17605571 [1,0,0,1,0,0|2,0,0]=4 1685 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb24514797 [1,0,0,1,0,0|2,0,0]=4 1686 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb24606663 [1,0,0,1,0,0|2,0,0]=4 1687 B12R2.27 NNC1CC1c2ccccc2 Amb25244653 [1,0,0,1,0,0|2,0,0]=4 1688 B12R2.27 O=CC1CC1c2ccccc2 Amb10844842 [1,0,0,1,0,0|2,0,0]=4 1689 B12R2.27 O=CC1C[C@@H]1c2ccccc2 Amb24619601 [1,0,0,1,0,0|2,0,0]=4 1690 B12R2.27 O=CC1OC1c2ccccc2 Amb25737974 [1,0,0,1,0,0|2,0,0]=4 1691 B12R2.27 O=C[C@@H]1CC1c2ccccc2 Amb25128247 [1,0,0,1,0,0|2,0,0]=4 1692 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 Amb25368620 [1,0,0,1,0,0|2,0,0]=4 1693 B12R2.27 O=C[C@H]1CC1c2ccccc2 Amb24484808 [1,0,0,1,0,0|2,0,0]=4 1694 B12R2.27 OCC1CC1c2ccccc2 Amb17605543 [1,0,0,1,0,0|2,0,0]=4 1695 B12R2.27 OCC1OC1c2ccccc2 Amb24063567 [1,0,0,1,0,0|2,0,0]=4 1696 B12R2.27 OC[C@H]1O[C@@H]1c2ccccc2 Amb20242388 [1,0,0,1,0,0|2,0,0]=4 1697 B12R2.32 BrCC1Cc2c(O1)cccc2 Amb17040446 [1,0,0,1,0,0|2,0,0]=4 1698 B12R2.32 BrCC1Cc2ccccc2C1 Amb22235471 [1,0,0,1,0,0|2,0,0]=4 1699 B12R2.32 BrC[C@H]1Cc2ccccc2O1 Amb25695955 [1,0,0,1,0,0|2,0,0]=4 1700 B12R2.32 C#CC1Cc2ccccc2C1 Amb24074759 [1,0,0,1,0,0|1,0,1]=4 1701 B12R2.32 CCC1Oc2ccccc2O1 Amb24485882 [1,0,0,1,0,0|2,0,0]=4 1702 B12R2.32 CCN1Cc2ccccc2C1 Amb21870754 [1,0,0,1,0,0|2,0,0]=4 1703 B12R2.32 CNC1Cc2ccccc2C1 Amb21955693 [1,0,0,1,0,0|1,0,0]=3 1704 B12R2.32 COC1Cc2ccccc2O1 Amb24084536 [1,0,0,1,0,0|0,0,0]=2 1705 B12R2.32 COC1Nc2ccccc2S1 Amb24084534 [1,0,0,1,0,0|1,1,0]=4 1706 B12R2.32 COC1Oc2ccccc2O1 Amb24753207 [1,0,0,1,0,0|1,0,0]=3 1707 B12R2.32 COC1Sc2ccccc2S1 Amb24449932 [1,0,0,1,0,0|1,1,0]=4 1708 B12R2.32 COP1Oc2ccccc2O1 Amb24484500 [1,0,0,1,0,0|2,0,0]=4 1709 B12R2.32 CSC1Cc2ccccc2C1 Amb25712718 [1,0,0,1,0,0|0,1,0]=3 1710 B12R2.32 ICC1Cc2ccccc2O1 Amb23513694 [1,0,0,1,0,0|2,0,0]=4 1711 B12R2.32 N#CC1Cc2ccccc2O1 Amb24384661 [1,0,0,1,0,0|2,0,0]=4 1712 B12R2.32 NCC1Cc2c(O1)cccc2 Amb1088943 [1,0,0,1,0,0|2,0,0]=4 1713 B12R2.32 NCC1Cc2ccccc2C1 Amb19287049 [1,0,0,1,0,0|2,0,0]=4 1714 B12R2.32 NNC1Cc2c(C1)cccc2 Amb10071076 [1,0,0,1,0,0|2,0,0]=4 1715 B12R2.32 NNC1Cc2ccccc2C1 Amb19890159 [1,0,0,1,0,0|2,0,0]=4 1716 B12R2.32 NNC1Cc2ccccc2C1 Amb21954062 [1,0,0,1,0,0|2,0,0]=4 1717 B12R2.32 O=CC1Cc2ccccc2C1 Amb18124789 [1,0,0,1,0,0|2,0,0]=4 1718 B12R2.32 OCC1Cc2ccccc2C1 Amb19516120 [1,0,0,1,0,0|2,0,0]=4 1719 B12R2.37 CC1C(O)C1c2ccccc2 Amb24457875 [1,0,0,1,0,0|1,0,0]=3 1720 B12R2.37 C[C@@H]1C(c2ccccc2)[N@@]1C Amb23513697 [1,0,0,1,0,0|1,0,0]=3 1721 B12R2.37 C[C@@H]1[C@H](Cl)[C@@H]1c2ccccc2 Amb25321015 [1,0,0,1,0,0|2,0,0]=4 1722 B12R2.37 C[C@@H]1[C@H](Cl)[C@H]1c2ccccc2 Amb24511894 [1,0,0,1,0,0|2,0,0]=4 1723 B12R2.37 C[C@H]1C(Cl)[C@@H]1c2ccccc2 Amb25173083 [1,0,0,1,0,0|2,0,0]=4 1724 B12R2.37 C[C@H]1[C@H](Cl)[C@@H]1c2ccccc2 Amb25320879 [1,0,0,1,0,0|2,0,0]=4 1725 B12R2.94 CC1(Cc2ccccc2)NN1 Amb24672487 [1,0,0,1,0,0|2,0,0]=4 1726 B12R2.94 NC1(Cc2ccccc2)CC1 Amb22587208 [1,0,0,1,0,0|2,0,0]=4 1727 B12R2.94 OC1(Cc2cc[n]cc2)CC1 Amb25768733 [1,0,0,1,0,0|2,0,0]=4 1728 B12R2.94 OC1(Cc2ccccc2)CC1 Amb19374431 [1,0,0,1,0,0|1,0,0]=3 1729 B12R2.2051 CC1(Cc2ccccc12)C=C Amb17778871 [1,0,0,1,0,0|1,0,1]=4 1730 B12R2.2058 B1CC(C1)Cc2ccccc2 Amb25243383 [1,0,0,1,0,0|2,0,0]=4 1731 B12R2.2058 C(C1CCN1)c2ccccc2 Amb20623701 [1,0,0,1,0,0|1,0,0]=3 1732 B12R2.2058 C1CC(C1)C[n+]2ccccc2 Amb10554487 [1,0,0,1,0,0|2,0,0]=4 1733 B12R2.2058 C1CC(C1)Sc2ccccc2 Amb10976023 [1,0,0,1,0,0|2,0,0]=4 1734 B12R2.2058 C1CCC1Nc2ccccc2 Amb18283820 [1,0,0,1,0,0|2,0,0]=4 1735 B12R2.2058 C1NCC1Cc2ccccc2 Amb19373673 [1,0,0,1,0,0|2,0,0]=4 1736 B12R2.2058 N1CC(C1)Cc2ccccc2 Amb1123190 [1,0,0,1,0,0|2,0,0]=4 1737 B12R2.3511 COC(=O)C1c2ccccc21 Amb25270277 [1,0,0,1,0,0|0,0,2]=4 1738 B12R2.1 CCC1CCc2ccccc21 Amb20248519 [0,0,0,1,1,0|2,0,0]=4 1739 B12R2.1 CCC1NCc2ccccc21 Amb24377125 [0,0,0,1,1,0|2,0,0]=4 1740 B12R2.1 CCC1SCc2ccccc21 Amb24092839 [0,0,0,1,1,0|1,1,0]=4 1741 B12R2.1 CNC1CCc2c1cccc2 Amb1117068 [0,0,0,1,1,0|2,0,0]=4 1742 B12R2.1 CNC1CCc2ccccc21 Amb22757336 [0,0,0,1,1,0|2,0,0]=4 1743 B12R2.1 CN[C@@H]1CCc2ccccc21 Amb25808104 [0,0,0,1,1,0|2,0,0]=4 1744 B12R2.1 COC1=CCc2ccccc12 Amb17778910 [0,0,0,1,1,0|1,0,1]=4 1745 B12R2.1 COC1=NCc2ccccc12 Amb24527731 [0,0,0,1,1,0|1,0,1]=4 1746 B12R2.1 COC1COc2ccccc21 Amb24102318 [0,0,0,1,1,0|2,0,0]=4 1747 B12R2.1 COC1OCc2ccccc21 Amb24323529 [0,0,0,1,1,0|0,0,0]=2 1748 B12R2.1 COc1o[n]c2ccccc21 Amb25223546 [0,0,0,1,1,0|1,0,1]=4 1749 B12R2.1 CSC1CCc2ccccc21 Amb24684843 [0,0,0,1,1,0|1,1,0]=4 1750 B12R2.1 NOC1CCc2ccccc21 Amb25808729 [0,0,0,1,1,0|2,0,0]=4 1751 B12R2.1 OC[C@H]1OCc2ccccc21 Amb24412216 [0,0,0,1,1,0|2,0,0]=4 1752 B12R2.2 C1CCC(O1)c2cccc[n]2 Amb24729132 [0,0,0,1,1,0|2,0,0]=4 1753 B12R2.2 C1CCC(S1)c2ccccc2 Amb25801021 [0,0,0,1,1,0|1,1,0]=4 1754 B12R2.2 C1CC[C@@H](N1)c2ccccc2 Amb20241932 [0,0,0,1,1,0|2,0,0]=4 1755 B12R2.2 C1CC[C@H](N1)c2ccccc2 Amb20241933 [0,0,0,1,1,0|2,0,0]=4 1756 B12R2.2 C1CNC(C1)c2ccccc2 Amb10808365 [0,0,0,1,1,0|2,0,0]=4 1757 B12R2.2 C1CNC(C1)c2ccccc2 Amb1106311 [0,0,0,1,1,0|2,0,0]=4 1758 B12R2.2 C1COB(O1)c2c[n]ccc2 Amb25103771 [0,0,0,1,1,0|2,0,0]=4 1759 B12R2.2 C1COB(O1)c2cccc[n]2 Amb22490930 [0,0,0,1,1,0|2,0,0]=4 1760 B12R2.2 C1COC(=N1)c2ccccc2 Amb18063911 [0,0,0,1,1,0|1,0,1]=4 1761 B12R2.2 C1COC(C1)c2ccccc2 Amb17334283 [0,0,0,1,1,0|1,0,0]=3 1762 B12R2.2 C1COC(N1)c2ccccc2 Amb17334284 [0,0,0,1,1,0|1,0,0]=3 1763 B12R2.2 C1COC(N1)c2ccccn2 Amb17334298 [0,0,0,1,1,0|2,0,0]=4 1764 B12R2.2 C1COC(N1)c2cccnc2 Amb17334299 [0,0,0,1,1,0|2,0,0]=4 1765 B12R2.2 C1COC(N1)c2ccncc2 Amb17334300 [0,0,0,1,1,0|2,0,0]=4 1766 B12R2.2 C1COC(O1)c2c[n]c[n]c2 Amb25710715 [0,0,0,1,1,0|2,0,0]=4 1767 B12R2.2 C1COC(O1)c2ccccn2 Amb17334307 [0,0,0,1,1,0|1,0,0]=3 1768 B12R2.2 C1COC(O1)c2cccnc2 Amb17334308 [0,0,0,1,1,0|1,0,0]=3 1769 B12R2.2 C1COC(O1)c2ccncc2 Amb17334309 [0,0,0,1,1,0|1,0,0]=3 1770 B12R2.2 C1CSC(S1)c2ccccc2 Amb23401446 [0,0,0,1,1,0|0,2,0]=4 1771 B12R2.2 C1NCC(O1)c2ccccc2 Amb18065307 [0,0,0,1,1,0|2,0,0]=4 1772 B12R2.2 C1OCOC1c2ccccc2 Amb24101078 [0,0,0,1,1,0|2,0,0]=4 1773 B12R2.48 CCC1(CO1)c2cc[n]cc2 Amb24386909 [0,0,0,1,1,0|2,0,0]=4 1774 B12R2.48 CCC1(CO1)c2ccccc2 Amb25063378 [0,0,0,1,1,0|1,0,0]=3 1775 B12R2.48 CNC1(CC1)c2ccccc2 Amb25063013 [0,0,0,1,1,0|2,0,0]=4 1776 B12R2.48 COC1(CC1)c2ccccc2 Amb24434857 [0,0,0,1,1,0|1,0,0]=3 1777 B12R2.48 O=CC1(CO1)c2ccccc2 Amb24486157 [0,0,0,1,1,0|2,0,0]=4 1778 B12R2.44 COC1Cc2cc[nH]c2CC1 Amb25719450 [0,0,0,1,1,0|2,0,0]=4 1779 B12R2.98 C1C=CC(CC2OCCO2)=C1 Amb25149360 [0,0,0,1,1,0|0,0,1]=3 1780 B14R2.8 C=CC1NC(CO1)c2ccccc2 Amb24443704 [0,0,0,1,0,1|1,0,1]=4 1781 B14R2.8 CCC1N[C@H](CO1)c2ccccc2 Amb25108096 [0,0,0,1,0,1|1,0,0]=3 1782 B14R2.8 CNC1CC(CC1)c2ccccc2 Amb18065568 [0,0,0,1,0,1|2,0,0]=4 1783 B14R2.8 CN[C@@H]1C[C@@H](CN1)c2ccccc2 Amb24515116 [0,0,0,1,0,1|2,0,0]=4 1784 B14R2.8 COC1CCC(O1)c2ccccc2 Amb24572881 [0,0,0,1,0,1|1,0,0]=3 1785 B14R2.8 CO[C@H]1CN(CC1)c2cc[n]cc2 Amb25284152 [0,0,0,1,0,1|2,0,0]=4 1786 B14R2.8 NCC1OCC(O1)c2ccccc2 Amb17470594 [0,0,0,1,0,1|2,0,0]=4 1787 B14R2.8 O=C[C@@H]1OC[C@H](O1)c2ccccc2 Amb24512918 [0,0,0,1,0,1|2,0,0]=4 1788 B14R2.8 OCC1CC(CO1)c2ccccc2 Amb25226649 [0,0,0,1,0,1|2,0,0]=4 1789 B14R2.8 OC[C@@H]1C[C@@H](CO1)c2ccccc2 Amb24615402 [0,0,0,1,0,1|2,0,0]=4 1790 B14R2.31 CC1CCC1CNc2ccccc2 Amb24622636 [0,0,0,1,0,1|2,0,0]=4 1791 B14R2.31 CC1CCC1COc2ccccc2 Amb23455994 [0,0,0,1,0,1|2,0,0]=4 1792 B14R2.31 O=C1COC1CCc2ccccc2 Amb24492472 [0,0,0,1,0,1|2,0,0]=4 1793 B14R2.78 CCC1CCC1Nc2ccccc2 Amb25686792 [0,0,0,1,0,1|2,0,0]=4 1794 B14R2.78 CNC1CCN1Cc2ccccc2 Amb24743315 [0,0,0,1,0,1|2,0,0]=4 1795 B14R2.78 CN[C@H]1CCN1Cc2ccccc2 Amb24496673 [0,0,0,1,0,1|2,0,0]=4 1796 B14R2.92 CC1C(CC)NCc2ccccc21 Amb18127527 [0,0,0,1,0,1|2,0,0]=4 1797 B14R2.92 CCC1CCc2ccccc2N1C Amb25051182 [0,0,0,1,0,1|2,0,0]=4 1798 B14R2.92 CCC1CNc2ccccc2N1C Amb25035492 [0,0,0,1,0,1|2,0,0]=4 1799 B14R2.92 COC1C=Cc2ccccc2N1C Amb24084529 [0,0,0,1,0,1|1,0,1]=4 1800 B14R2.92 COC1CCc2c(C1=O)cccc2 Amb17594484 [0,0,0,1,0,1|2,0,0]=4 1801 B14R2.92 COC1CCc2ccccc2C1O Amb18186192 [0,0,0,1,0,1|2,0,0]=4 1802 B14R2.92 COC1COc2ccccc2C1=O Amb24492586 [0,0,0,1,0,1|2,0,0]=4 1803 B14R2.92 COC1COc2ccccc2C1O Amb18809299 [0,0,0,1,0,1|2,0,0]=4 1804 B14R2.93 C=CC1OCc2ccccc2CO1 Amb25840304 [0,0,0,1,0,1|1,0,1]=4 1805 B14R2.93 CCC1CNc2ccccc2CC1 Amb25738523 [0,0,0,1,0,1|2,0,0]=4 1806 B14R2.93 CCC1CNc2ccccc2CN1 Amb24702277 [0,0,0,1,0,1|2,0,0]=4 1807 B14R2.93 CC[C@@H]1CNc2ccccc2CN1 Amb25200931 [0,0,0,1,0,1|2,0,0]=4 1808 B14R2.93 CNC1CNc2ccccc2CC1 Amb24379608 [0,0,0,1,0,1|2,0,0]=4 1809 B14R2.93 COC1CNc2ccccc2C=N1 Amb24451095 [0,0,0,1,0,1|1,0,1]=4 1810 B14R2.93 COC1CNc2ccccc2CC1 Amb24398547 [0,0,0,1,0,1|1,0,0]=3 1811 B14R2.101 C(Cc1ccccc1)C2SCCS2 Amb24472341 [0,0,0,1,0,1|0,2,0]=4 1812 B14R2.101 C(NC1=NCCO1)c2ccccc2 Amb24680280 [0,0,0,1,0,1|1,0,1]=4 1813 B14R2.101 C(Nc1c[n]ccc1)C2CCCO2 Amb23556463 [0,0,0,1,0,1|2,0,0]=4 1814 B14R2.101 C(Nc1ccccc1)C2CCCS2 Amb25704748 [0,0,0,1,0,1|1,1,0]=4 1815 B14R2.101 C(Nc1ccccc1)C2OCCO2 Amb25039545 [0,0,0,1,0,1|0,0,0]=2 1816 B14R2.101 C(Nc1ccccc1)[C@H]2CCCO2 Amb25682682 [0,0,0,1,0,1|1,0,0]=3 1817 B14R2.101 C(OC1CCCC1)c2ccccc2 Amb21856199 [0,0,0,1,0,1|2,0,0]=4 1818 B14R2.101 C(OC1CCCN1)c2ccccc2 Amb24710172 [0,0,0,1,0,1|2,0,0]=4 1819 B14R2.101 C(OC1CCCO1)c2ccccc2 Amb22752558 [0,0,0,1,0,1|1,0,0]=3 1820 B14R2.101 C(Oc1cc[n]cc1)C2CCCO2 Amb20623973 [0,0,0,1,0,1|2,0,0]=4 1821 B14R2.101 C(Oc1cc[n]cc1)C2OCCO2 Amb25066258 [0,0,0,1,0,1|1,0,0]=3 1822 B14R2.101 C(Oc1ccccc1)C2CCCC2 Amb25323219 [0,0,0,1,0,1|2,0,0]=4 1823 B14R2.101 C(Oc1ccccc1)C2CCCO2 Amb24065193 [0,0,0,1,0,1|1,0,0]=3 1824 B14R2.101 C(Oc1ccccc1)C2OCCO2 Amb18035951 [0,0,0,1,0,1|0,0,0]=2 1825 B14R2.101 C(Oc1ccccc1)[C@@H]2CCCN2 Amb22225505 [0,0,0,1,0,1|2,0,0]=4 1826 B14R2.101 C(Oc1ccccc1)[C@H]2CCCN2 Amb24077505 [0,0,0,1,0,1|2,0,0]=4 1827 B14R2.101 C(SC1CCCO1)c2ccccc2 Amb24387395 [0,0,0,1,0,1|1,0,0]=3 1828 B14R2.101 C(SC1NCCS1)c2ccccc2 Amb25090882 [0,0,0,1,0,1|1,1,0]=4 1829 B14R2.101 C(Sc1[n]ccc[n]1)C2OCCO2 Amb25058417 [0,0,0,1,0,1|2,0,0]=4 1830 B14R2.101 C(Sc1c[n]cc[n]1)C2OCCO2 Amb24613695 [0,0,0,1,0,1|2,0,0]=4 1831 B14R2.101 C(Sc1cc[n]cc1)C2CCCO2 Amb25091924 [0,0,0,1,0,1|2,0,0]=4 1832 B14R2.101 C(Sc1cc[n]cc1)C2OCCO2 Amb25668951 [0,0,0,1,0,1|1,0,0]=3 1833 B14R2.101 C(Sc1ccccc1)C2CCCN2 Amb18985019 [0,0,0,1,0,1|2,0,0]=4 1834 B14R2.101 C(Sc1ccccc1)C2CCCO2 Amb17740935 [0,0,0,1,0,1|1,0,0]=3 1835 B14R2.101 C(Sc1ccccc1)C2OCCO2 Amb25115534 [0,0,0,1,0,1|0,0,0]=2 1836 B14R2.101 C(Sc1ccccc1)[C@@H]2CCCN2 Amb24740799 [0,0,0,1,0,1|2,0,0]=4 1837 B14R2.101 C(Sc1ccccn1)C2CCCO2 Amb17760117 [0,0,0,1,0,1|2,0,0]=4 1838 B14R2.101 C(\N=C/1\CCCO1)c2ccccc2 Amb24452625 [0,0,0,1,0,1|1,0,1]=4 1839 B14R2.101 C1CCC(C#Cc2ccccc2)O1 Amb24494422 [0,0,0,1,0,1|1,0,1]=4 1840 B14R2.101 C1CCC(C1)CNc2ccccc2 Amb17233131 [0,0,0,1,0,1|2,0,0]=4 1841 B14R2.101 C1CCC(C1)NCc2ccccc2 Amb1681062 [0,0,0,1,0,1|2,0,0]=4 1842 B14R2.101 C1CCC(CCc2cccc[n]2)O1 Amb24080825 [0,0,0,1,0,1|2,0,0]=4 1843 B14R2.101 C1CC[C@H](CCc2ccccc2)N1 Amb25105019 [0,0,0,1,0,1|2,0,0]=4 1844 B14R2.101 C1CNC(C1)CCc2ccccc2 Amb10609225 [0,0,0,1,0,1|2,0,0]=4 1845 B14R2.101 C1CNC(C1)CNc2ccccc2 Amb17226586 [0,0,0,1,0,1|2,0,0]=4 1846 B14R2.101 C1CNC(C1)CNc2ccccc2 Amb2236197 [0,0,0,1,0,1|2,0,0]=4 1847 B14R2.101 C1CN[C@@H](C1)COc2ccccc2 Amb17051823 [0,0,0,1,0,1|2,0,0]=4 1848 B14R2.101 C1COB(\C=C\c2ccccc2)O1 Amb24543987 [0,0,0,1,0,1|1,0,1]=4 1849 B14R2.101 C1COC(O1)C#Cc2ccccc2 Amb10569956 [0,0,0,1,0,1|0,0,1]=3 1850 B14R2.101 C1CSC(CCc2ccccc2)N1 Amb18317778 [0,0,0,1,0,1|1,1,0]=4 1851 B14R2.101 C1NCC(CSc2ccccc2)O1 Amb25081000 [0,0,0,1,0,1|2,0,0]=4 1852 B14R2.3492 CCC1(CC1)NCc2ccccc2 Amb25209997 [0,0,0,1,0,1|2,0,0]=4 1853 B14R2.3492 COC1(CC1)NCc2ccccc2 Amb24488912 [0,0,0,1,0,1|1,0,0]=3 1854 B14R2.16831 CCC1(CNc2ccccc12)CC Amb19374227 [0,0,0,1,0,1|2,0,0]=4 1855 B14R2.16831 COC1(CN)CCc2ccccc12 Amb18909041 [0,0,0,1,0,1|2,0,0]=4 1856 B14R2.16831 COC1(CNc2ccccc12)OC Amb25351598 [0,0,0,1,0,1|0,0,0]=2 1857 B14R2.16831 COC1(OCc2ccccc12)OC Amb25201978 [0,0,0,1,0,1|0,0,0]=2 1858 B14R2.6 C(C1C=CCCN1)c2ccccc2 Amb18127112 [0,1,0,1,0,0|2,0,0]=4 1859 B14R2.6 C(C1CCCCN1)c2ccccc2 Amb17659191 [0,1,0,1,0,0|2,0,0]=4 1860 B14R2.6 C(C1CCNCC1)c2ccccc2 Amb20248128 [0,1,0,1,0,0|2,0,0]=4 1861 B14R2.6 C(C1OCCCO1)c2ccccc2 Amb24081148 [0,1,0,1,0,0|0,0,0]=2 1862 B14R2.6 C(C1SCCCS1)c2ccccc2 Amb22484089 [0,1,0,1,0,0|0,2,0]=4 1863 B14R2.6 C([C@@H]1CCCCN1)c2ccccc2 Amb22892828 [0,1,0,1,0,0|2,0,0]=4 1864 B14R2.6 C(c1ccccc1)N2CCCCO2 Amb25833172 [0,1,0,1,0,0|2,0,0]=4 1865 B14R2.6 C1CCC(CN1)Cc2ccccc2 Amb10068913 [0,1,0,1,0,0|2,0,0]=4 1866 B14R2.6 C1CCC(NC1)Cc2ccccc2 Amb1087934 [0,1,0,1,0,0|2,0,0]=4 1867 B14R2.6 C1CCC(NC1)Cc2ccccc2 Amb2236228 [0,1,0,1,0,0|2,0,0]=4 1868 B14R2.6 C1CCC(Oc2ccccc2)OC1 Amb17673726 [0,1,0,1,0,0|2,0,0]=4 1869 B14R2.6 C1CNC(OC1)Cc2ccccc2 Amb17506195 [0,1,0,1,0,0|1,0,0]=3 1870 B14R2.6 C1NCCNC1Cc2ccccc2 Amb20240950 [0,1,0,1,0,0|2,0,0]=4 1871 B14R2.6 C1NCCN[C@@H]1Cc2ccccc2 Amb19515800 [0,1,0,1,0,0|2,0,0]=4 1872 B14R2.6 C1NCCN[C@@H]1Cc2ccccc2 Amb22752072 [0,1,0,1,0,0|2,0,0]=4 1873 B14R2.6 C1NCCN[C@@H]1Cc2ccccc2 Amb22752073 [0,1,0,1,0,0|2,0,0]=4 1874 B14R2.6 C1NCCOC1Cc2cc[n]cc2 Amb23454937 [0,1,0,1,0,0|2,0,0]=4 1875 B14R2.6 C1NCCOC1Cc2cccc[n]2 Amb23454938 [0,1,0,1,0,0|2,0,0]=4 1876 B14R2.6 C1NCCO[C@@H]1Cc2ccccc2 Amb20242077 [0,1,0,1,0,0|1,0,0]=3 1877 B14R2.6 C1NCCO[C@H]1Cc2ccccc2 Amb20242078 [0,1,0,1,0,0|1,0,0]=3 1878 B14R2.6 C1NCCSC1Cc2ccccc2 Amb18565446 [0,1,0,1,0,0|1,1,0]=4 1879 B14R2.6 C1OCCCC1Nc2ccccc2 Amb25680113 [0,1,0,1,0,0|2,0,0]=4 1880 B14R2.6 C1OCCNC1Cc2cc[n]cc2 Amb25852173 [0,1,0,1,0,0|2,0,0]=4 1881 B14R2.6 C1OCCNC1Cc2cccc[n]2 Amb25762218 [0,1,0,1,0,0|2,0,0]=4 1882 B14R2.6 C1OCCN[C@@H]1Cc2cccc[n]2 Amb25157327 [0,1,0,1,0,0|2,0,0]=4 1883 B14R2.6 C1OCCN[C@@H]1Cc2ccccc2 Amb20242985 [0,1,0,1,0,0|1,0,0]=3 1884 B14R2.6 C1OCCN[C@@H]1Cc2ccccc2 Amb24077524 [0,1,0,1,0,0|1,0,0]=3 1885 B14R2.6 C1OCCN[C@H]1Cc2ccccc2 Amb20242986 [0,1,0,1,0,0|1,0,0]=3 1886 B14R2.6 C1OCCN[C@H]1Cc2ccccc2 Amb22226651 [0,1,0,1,0,0|1,0,0]=3 1887 B14R2.6 C1SCCNC1Cc2ccccc2 Amb18565445 [0,1,0,1,0,0|1,1,0]=4 1888 B14R2.6 C1SCCN[C@H]1Cc2ccccc2 Amb24627357 [0,1,0,1,0,0|1,1,0]=4 1889 B14R2.6 N1CCNC(C1)Cc2ccccc2 Amb10068437 [0,1,0,1,0,0|2,0,0]=4 1890 B14R2.6 N1CCN[C@H](C1)Cc2ccccc2 Amb15690734 [0,1,0,1,0,0|2,0,0]=4 1891 B14R2.6 O1CCNC(C1)Cc2ccccc2 Amb10068897 [0,1,0,1,0,0|1,0,0]=3 1892 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [0,1,0,1,0,0|2,0,0]=4 1893 B14R2.14 CCC1NCCC1c2ccccc2 Amb18285662 [0,1,0,1,0,0|2,0,0]=4 1894 B14R2.14 CNC1CCCC1c2ccccc2 Amb18286605 [0,1,0,1,0,0|2,0,0]=4 1895 B14R2.14 COC1CNCC1c2ccccc2 Amb24496970 [0,1,0,1,0,0|1,0,0]=3 1896 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb20241554 [0,1,0,1,0,0|1,0,0]=3 1897 B14R2.14 NC[C@H]1OCC[C@H]1c2ccccc2 Amb25176333 [0,1,0,1,0,0|2,0,0]=4 1898 B14R2.19 BrC1CC(CC1)Cc2ccccc2 Amb25345569 [0,1,0,1,0,0|2,0,0]=4 1899 B14R2.19 CC1CCC(Cc2ccccc2)N1 Amb24606534 [0,1,0,1,0,0|2,0,0]=4 1900 B14R2.19 CC1CNC(O1)Cc2ccccc2 Amb17506178 [0,1,0,1,0,0|1,0,0]=3 1901 B14R2.19 CC1COC(Cc2ccccc2)O1 Amb24081159 [0,1,0,1,0,0|0,0,0]=2 1902 B14R2.19 CC1COC(N1)Cc2ccccc2 Amb17506177 [0,1,0,1,0,0|1,0,0]=3 1903 B14R2.19 CC1CSC(Cc2ccccc2)N1 Amb24666187 [0,1,0,1,0,0|1,1,0]=4 1904 B14R2.19 C[C@@H]1CC[C@@H](Cc2ccccc2)N1 Amb24519291 [0,1,0,1,0,0|2,0,0]=4 1905 B14R2.19 C[C@@H]1C[C@H](Cc2ccccc2)NC1 Amb18197087 [0,1,0,1,0,0|2,0,0]=4 1906 B14R2.19 C[C@H]1CC[C@@H](Cc2ccccc2)N1 Amb24608882 [0,1,0,1,0,0|2,0,0]=4 1907 B14R2.19 NC1CC(CC1)Cc2ccccc2 Amb25337996 [0,1,0,1,0,0|2,0,0]=4 1908 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,1,0,1,0,0|1,0,1]=4 1909 B14R2.19 OC1CC(Cc2ccccc2)NC1 Amb23454017 [0,1,0,1,0,0|2,0,0]=4 1910 B14R2.19 OC1CC(Cc2ccccc2)OC1 Amb24495738 [0,1,0,1,0,0|1,0,0]=3 1911 B14R2.19 O[C@@H]1C[C@@H](CC1)Cc2ccccc2 Amb25271477 [0,1,0,1,0,0|2,0,0]=4 1912 B14R2.19 O[C@@H]1C[C@@H](Cc2ccccc2)NC1 Amb24670445 [0,1,0,1,0,0|2,0,0]=4 1913 B14R2.19 O[C@H]1CON(C1)Cc2ccccc2 Amb24353685 [0,1,0,1,0,0|2,0,0]=4 1914 B14R2.30 BrC1CCCC1Cc2ccccc2 Amb24420076 [0,1,0,1,0,0|2,0,0]=4 1915 B14R2.30 CC1NCCC1Cc2ccccc2 Amb18960801 [0,1,0,1,0,0|2,0,0]=4 1916 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [0,1,0,1,0,0|2,0,0]=4 1917 B14R2.30 ClC1CCCC1Cc2ccccc2 Amb19080529 [0,1,0,1,0,0|2,0,0]=4 1918 B14R2.30 ClC1CCOC1Sc2ccccc2 Amb24676898 [0,1,0,1,0,0|2,0,0]=4 1919 B14R2.30 Cl[C@@H]1CCO[C@@H]1Sc2ccccc2 Amb25176393 [0,1,0,1,0,0|2,0,0]=4 1920 B14R2.30 Cl[C@@H]1CCO[C@H]1Sc2ccccc2 Amb25176394 [0,1,0,1,0,0|2,0,0]=4 1921 B14R2.30 Cl[C@H]1CCO[C@@H]1Sc2ccccc2 Amb25240081 [0,1,0,1,0,0|2,0,0]=4 1922 B14R2.30 NC1CCCC1Cc2ccccc2 Amb18284144 [0,1,0,1,0,0|2,0,0]=4 1923 B14R2.30 NC1CCNC1Cc2ccccc2 Amb25731805 [0,1,0,1,0,0|2,0,0]=4 1924 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [0,1,0,1,0,0|2,0,0]=4 1925 B14R2.30 NC1CCN[C@H]1Cc2ccccc2 Amb25081465 [0,1,0,1,0,0|2,0,0]=4 1926 B14R2.30 NN1CCCC1Cc2ccccc2 Amb25135272 [0,1,0,1,0,0|2,0,0]=4 1927 B14R2.30 N[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb25259168 [0,1,0,1,0,0|2,0,0]=4 1928 B14R2.30 O=C1CCC[C@H]1Cc2ccccc2 Amb25767011 [0,1,0,1,0,0|2,0,0]=4 1929 B14R2.30 O=C1CCN[C@@H]1Cc2ccccc2 Amb18197192 [0,1,0,1,0,0|2,0,0]=4 1930 B14R2.30 O=C1CCN[C@H]1Cc2ccccc2 Amb24489314 [0,1,0,1,0,0|2,0,0]=4 1931 B14R2.30 OC1CCCC1Cc2ccccc2 Amb18808902 [0,1,0,1,0,0|2,0,0]=4 1932 B14R2.30 OC1CCNC1Cc2ccccc2 Amb25775108 [0,1,0,1,0,0|2,0,0]=4 1933 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [0,1,0,1,0,0|2,0,0]=4 1934 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [0,1,0,1,0,0|2,0,0]=4 1935 B14R2.30 O[C@@H]1CCN[C@@H]1Cc2ccccc2 Amb24649744 [0,1,0,1,0,0|2,0,0]=4 1936 B14R2.30 O[C@@H]1COC[C@@H]1Cc2ccccc2 Amb24654939 [0,1,0,1,0,0|2,0,0]=4 1937 B14R2.30 O[C@H]1CCC[C@H]1Cc2ccccc2 Amb25236068 [0,1,0,1,0,0|2,0,0]=4 1938 B14R2.35 CNCC1CCC1c2ccccc2 Amb25366827 [0,1,0,1,0,0|2,0,0]=4 1939 B14R2.35 CO\N=C/1\CCC1c2ccccc2 Amb25792145 [0,1,0,1,0,0|1,0,1]=4 1940 B14R2.44 CC1C(Cc2ccccc21)CNC Amb18127536 [0,1,0,1,0,0|2,0,0]=4 1941 B14R2.44 CCOC1Cc2c(C1N)cccc2 Amb1142177 [0,1,0,1,0,0|2,0,0]=4 1942 B14R2.44 CCOC1Cc2ccccc2C1=O Amb24492694 [0,1,0,1,0,0|2,0,0]=4 1943 B14R2.44 CCOC1Cc2ccccc2C1O Amb18809063 [0,1,0,1,0,0|2,0,0]=4 1944 B14R2.44 CNCC1Cc2ccccc2N1C Amb24679444 [0,1,0,1,0,0|2,0,0]=4 1945 B14R2.112 CCCC1OCc2ccccc2O1 Amb25689738 [0,1,0,1,0,0|2,0,0]=4 1946 B14R2.112 CCOC1CCc2ccccc2O1 Amb21963389 [0,1,0,1,0,0|2,0,0]=4 1947 B14R2.112 CCOC1Cc2ccccc2CC1 Amb24528095 [0,1,0,1,0,0|1,0,0]=3 1948 B14R2.112 CCOC1Cc2ccccc2NC1 Amb25101350 [0,1,0,1,0,0|2,0,0]=4 1949 B14R2.112 CNCC1Cc2ccccc2CN1 Amb18951419 [0,1,0,1,0,0|2,0,0]=4 1950 B14R2.112 CNCC1Cc2ccccc2CO1 Amb22642213 [0,1,0,1,0,0|1,0,0]=3 1951 B14R2.112 CONC1Cc2ccccc2CC1 Amb24494565 [0,1,0,1,0,0|1,0,0]=3 1952 B14R2.112 CSCC1Cc2ccccc2CC1 Amb25143856 [0,1,0,1,0,0|1,1,0]=4 1953 B14R2.112 ClCCN1Cc2ccccc2CO1 Amb24358079 [0,1,0,1,0,0|2,0,0]=4 1954 B14R2.112 N#CCC1Cc2ccccc2CO1 Amb25299228 [0,1,0,1,0,0|1,0,1]=4 1955 B14R2.112 NCCC1Cc2ccccc2CC1 Amb18956333 [0,1,0,1,0,0|2,0,0]=4 1956 B14R2.112 NCCC1Cc2ccccc2CN1 Amb24309769 [0,1,0,1,0,0|2,0,0]=4 1957 B14R2.112 OCCC1Cc2ccccc2CC1 Amb25063214 [0,1,0,1,0,0|2,0,0]=4 1958 B14R2.112 OCCC1Cc2ccccc2CN1 Amb18127997 [0,1,0,1,0,0|2,0,0]=4 1959 B14R2.143 CCC1CNCc2ccccc2C1 Amb25212776 [0,1,0,1,0,0|2,0,0]=4 1960 B14R2.143 CCC1Cc2ccccc2CCN1 Amb25105045 [0,1,0,1,0,0|2,0,0]=4 1961 B14R2.201 CCC1C(CO)C1c2ccccc2 Amb25344953 [0,1,0,1,0,0|2,0,0]=4 1962 B14R2.201 CC[C@@H]1[C@H](CO)[C@@H]1c2ccccc2 Amb24715945 [0,1,0,1,0,0|2,0,0]=4 1963 B14R2.201 COC1C(CN)C1c2ccccc2 Amb24403997 [0,1,0,1,0,0|1,0,0]=3 1964 B14R2.201 COC1C(CO)C1c2ccccc2 Amb25831779 [0,1,0,1,0,0|1,0,0]=3 1965 B14R2.201 CO[C@H]1[C@H](C=O)[C@H]1c2ccccc2 Amb24540823 [0,1,0,1,0,0|1,0,1]=4 1966 B14R2.201 CO[C@H]1[C@H](CO)[C@H]1c2ccccc2 Amb24735143 [0,1,0,1,0,0|1,0,0]=3 1967 B14R2.825 CCOC1(CC1)Nc2ccccc2 Amb24640368 [0,1,0,1,0,0|2,0,0]=4 1968 B14R2.825 COCC1(CC1)Nc2ccccc2 Amb22749088 [0,1,0,1,0,0|2,0,0]=4 1969 B14R2.1019 CCC1CC(Br)c2ccccc2C1 Amb25695686 [0,1,0,1,0,0|2,0,0]=4 1970 B14R2.1019 CCC1CC(Cl)c2ccccc2C1 Amb25351168 [0,1,0,1,0,0|2,0,0]=4 1971 B14R2.1019 CCC1CC(N)c2ccccc2C1 Amb25685827 [0,1,0,1,0,0|2,0,0]=4 1972 B14R2.1019 CCC1CC(O)c2ccccc2C1 Amb24743037 [0,1,0,1,0,0|2,0,0]=4 1973 B14R2.1019 CCC1Cc2ccccc2C(O)O1 Amb24404772 [0,1,0,1,0,0|1,0,0]=3 1974 B14R2.1019 CNC1Cc2ccccc2N(C)C1 Amb24427608 [0,1,0,1,0,0|2,0,0]=4 1975 B14R2.1019 COC1Cc2ccccc2N(C)C1 Amb24350111 [0,1,0,1,0,0|1,0,0]=3 1976 B14R2.1129 CCC1Cc2ccccc2C1NC Amb18958578 [0,1,0,1,0,0|2,0,0]=4 1977 B14R2.1129 CNC1C(Cc2ccccc21)OC Amb18956889 [0,1,0,1,0,0|1,0,0]=3 1978 B14R2.1129 CNC1C(Cc2ccccc21)SC Amb25088061 [0,1,0,1,0,0|1,1,0]=4 1979 B14R2.1129 COc1c(OC)[s]c2ccccc21 Amb25195651 [0,1,0,1,0,0|1,0,1]=4 1980 B14R2.1129 COc1c([nH]c2ccccc21)OC Amb25842797 [0,1,0,1,0,0|1,0,1]=4 1981 B14R2.2972 CCC1(CNC1)Cc2ccccc2 Amb25055153 [0,1,0,1,0,0|2,0,0]=4 1982 B14R2.3478 CCC1(CC1N)Cc2ccccc2 Amb25685825 [0,1,0,1,0,0|2,0,0]=4 1983 B14R2.15 COC1C(CC1=O)c2ccccc2 Amb24492362 [0,1,0,1,0,0|1,0,0]=3 1984 B14R2.15 COC1C(NC1=O)c2ccccc2 Amb25298522 [0,1,0,1,0,0|2,0,0]=4 1985 B14R2.15 CO[C@H]1[C@H](NC1=O)c2ccccc2 Amb24512837 [0,1,0,1,0,0|2,0,0]=4 1986 B14R2.114 BrC(C1CCCC1)c2ccccc2 Amb25106398 [0,1,0,1,0,0|2,0,0]=4 1987 B14R2.114 C=C(C1OCCO1)c2ccccc2 Amb24659882 [0,1,0,1,0,0|0,0,1]=3 1988 B14R2.114 CC(C1CCCN1)c2ccccc2 Amb23536676 [0,1,0,1,0,0|2,0,0]=4 1989 B14R2.114 CC(C1NCCS1)c2ccccc2 Amb18321178 [0,1,0,1,0,0|1,1,0]=4 1990 B14R2.114 ClC(C1CCCC1)c2ccccc2 Amb17689167 [0,1,0,1,0,0|2,0,0]=4 1991 B14R2.114 ClC(C1CCCO1)c2ccccc2 Amb18321596 [0,1,0,1,0,0|1,0,0]=3 1992 B14R2.114 NC(C1CCCO1)c2ccc[n]c2 Amb25692696 [0,1,0,1,0,0|2,0,0]=4 1993 B14R2.114 NC(C1CCCS1)c2ccccc2 Amb25801544 [0,1,0,1,0,0|1,1,0]=4 1994 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb10609099 [0,1,0,1,0,0|1,0,0]=3 1995 B14R2.114 N[C@@H](C1CCCC1)c2ccccc2 Amb22746902 [0,1,0,1,0,0|2,0,0]=4 1996 B14R2.114 N[C@H](C1CCCC1)c2ccccc2 Amb22288670 [0,1,0,1,0,0|2,0,0]=4 1997 B14R2.114 N[C@H](C1CCCC1)c2ccccc2 Amb24744528 [0,1,0,1,0,0|2,0,0]=4 1998 B14R2.114 OC(C1=NCCO1)c2ccccc2 Amb24495694 [0,1,0,1,0,0|1,0,1]=4 1999 B14R2.114 OC(C1CCCN1)c2ccccc2 Amb18065714 [0,1,0,1,0,0|2,0,0]=4 2000 B14R2.114 OC(C1CCCO1)c2ccc[n]c2 Amb23455426 [0,1,0,1,0,0|2,0,0]=4 2001 B14R2.114 OC(C1CCCO1)c2ccccc2 Amb18180774 [0,1,0,1,0,0|1,0,0]=3 2002 B14R2.114 OC([C@H]1CCCN1)c2ccccc2 Amb25719320 [0,1,0,1,0,0|2,0,0]=4 2003 B14R2.114 OC([C@H]1CCCO1)c2cccc[n]2 Amb24675328 [0,1,0,1,0,0|2,0,0]=4 2004 B14R2.114 OC(c1ccccc1)C2CCCC2 Amb17138792 [0,1,0,1,0,0|2,0,0]=4 2005 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb17138819 [0,1,0,1,0,0|2,0,0]=4 2006 B14R2.114 O[C@@H]([C@@H]1CCCN1)c2ccccc2 Amb25294762 [0,1,0,1,0,0|2,0,0]=4 2007 B14R2.114 O[C@@H]([C@@H]1CCCO1)c2ccccc2 Amb25176419 [0,1,0,1,0,0|1,0,0]=3 2008 B14R2.114 O[C@@H]([C@@H]1COCO1)c2ccccc2 Amb25206342 [0,1,0,1,0,0|2,0,0]=4 2009 B14R2.114 O[C@@H]([C@H]1CCCN1)c2ccccc2 Amb24680163 [0,1,0,1,0,0|2,0,0]=4 2010 B14R2.114 O[C@@H]([C@H]1CCCO1)c2ccccc2 Amb25176420 [0,1,0,1,0,0|1,0,0]=3 2011 B14R2.114 O[C@@H]([C@H]1COCO1)c2ccccc2 Amb25345020 [0,1,0,1,0,0|2,0,0]=4 2012 B14R2.114 O[C@H](C1CCCC1)c2ccccc2 Amb25089275 [0,1,0,1,0,0|2,0,0]=4 2013 B14R2.114 O[C@H]([C@H]1CCCN1)c2ccccc2 Amb25238672 [0,1,0,1,0,0|2,0,0]=4 2014 B14R2.114 O[C@H]([C@H]1CCCO1)c2ccccc2 Amb24575609 [0,1,0,1,0,0|1,0,0]=3 2015 B14R2.187 CC1(C(N)C1OC)c2ccccc2 Amb23538783 [0,1,0,1,0,0|2,0,0]=4 2016 B14R2.215 CC1C(CC)C(O)c2ccccc21 Amb24474268 [0,1,0,1,0,0|2,0,0]=4 2017 B14R2.215 COC1C(=O)c2ccccc2N1C Amb24078920 [0,1,0,1,0,0|1,0,1]=4 2018 B14R2.335 O[C@@H]([C@H]1OCC1=O)c2ccccc2 Amb25261807 [0,1,0,1,0,0|2,0,0]=4 2019 B14R2.3469 CCC1(CC1)C(Br)c2ccccc2 Amb25699510 [0,1,0,1,0,0|2,0,0]=4 2020 B14R2.3469 CCC1(CC1)C(Cl)c2ccccc2 Amb25847394 [0,1,0,1,0,0|2,0,0]=4 2021 B14R2.3469 CCC1(CC1)C(N)c2ccccc2 Amb25761703 [0,1,0,1,0,0|2,0,0]=4 2022 B14R2.3469 CCC1(CC1)C(O)c2ccccc2 Amb24495780 [0,1,0,1,0,0|2,0,0]=4 2023 B14R2.3469 C[C@@H](c1ccccc1)[C@@]2(CO2)C=O Amb24567859 [0,1,0,1,0,0|2,0,0]=4 2024 B14R2.3469 C[C@H](c1ccccc1)[C@]2(CO2)C=O Amb24714074 [0,1,0,1,0,0|2,0,0]=4 2025 B14R2.72 Brc1ccc(CC2=NCCO2)cc1 Amb24645309 [0,1,0,1,0,0|1,0,1]=4 2026 B14R2.72 Brc1ccc(C[C@@H]2CCCN2)cc1 Amb25073495 [0,1,0,1,0,0|2,0,0]=4 2027 B14R2.72 Brc1ccc(cc1)SC2CCCO2 Amb25051986 [0,1,0,1,0,0|2,0,0]=4 2028 B14R2.72 Cc1ccc(C[C@H]2CCCN2)cc1 Amb24355310 [0,1,0,1,0,0|2,0,0]=4 2029 B14R2.72 Cc1ccc(cc1)CC2CCCN2 Amb2234679 [0,1,0,1,0,0|2,0,0]=4 2030 B14R2.72 Clc1ccc(CN2CCCO2)cc1 Amb24577667 [0,1,0,1,0,0|2,0,0]=4 2031 B14R2.72 Clc1ccc(cc1)CC2CCCN2 Amb2234680 [0,1,0,1,0,0|2,0,0]=4 2032 B14R2.72 Clc1ccc(cc1)OP2OCCO2 Amb24342445 [0,1,0,1,0,0|2,0,0]=4 2033 B14R2.72 Clc1ccc(cc1)SC2CCCO2 Amb25797075 [0,1,0,1,0,0|2,0,0]=4 2034 B14R2.72 Fc1ccc(CC2CCCN2)cc1 Amb17659167 [0,1,0,1,0,0|2,0,0]=4 2035 B14R2.72 Fc1ccc(CC2CCCN2)cc1 Amb20623794 [0,1,0,1,0,0|2,0,0]=4 2036 B14R2.72 Fc1ccc(cc1)CC2CCCN2 Amb2235502 [0,1,0,1,0,0|2,0,0]=4 2037 B14R2.72 Nc1ccc(CC2CCCC2)cc1 Amb18563266 [0,1,0,1,0,0|2,0,0]=4 2038 B14R2.72 Nc1ccc(CC2CCCN2)cc1 Amb18064900 [0,1,0,1,0,0|2,0,0]=4 2039 B14R2.72 Nc1ccc(CC2CCCO2)cc1 Amb18195871 [0,1,0,1,0,0|1,0,0]=3 2040 B14R2.72 O=C1C=CN(CC2CCCO2)C=C1 Amb24351410 [0,1,0,1,0,0|2,0,0]=4 2041 B14R2.72 Oc1ccc(CC2CCCC2)cc1 Amb18563268 [0,1,0,1,0,0|2,0,0]=4 2042 B14R2.72 Oc1ccc(CC2CCCN2)cc1 Amb18062877 [0,1,0,1,0,0|2,0,0]=4 2043 B14R2.158 CNC1(Cc2ccc(Cl)cc2)CC1 Amb25040663 [0,1,0,1,0,0|2,0,0]=4 2044 B14R2.158 Cc1ccc(CC2(CC2)NC)cc1 Amb25096420 [0,1,0,1,0,0|2,0,0]=4 2045 B14R2.158 Cc1ccc(CC2(CO)CO2)cc1 Amb25048505 [0,1,0,1,0,0|2,0,0]=4 2046 B14R2.158 Cc1ccc(C[C@]2(CO)CO2)cc1 Amb24431889 [0,1,0,1,0,0|2,0,0]=4 2047 B14R2.158 Cc1ccc(C[C@]2(CO2)C=O)cc1 Amb25670246 [0,1,0,1,0,0|2,0,0]=4 2048 B14R2.158 O=C[C@@]1(Cc2ccc(Cl)cc2)CO1 Amb25720074 [0,1,0,1,0,0|2,0,0]=4 2049 B14R2.174 CC1C(C1OC)c2ccc(O)cc2 Amb24344031 [0,1,0,1,0,0|1,0,0]=3 2050 B14R2.2332 CCC1Cc2ccc(Cl)cc2CN1 Amb18324980 [0,1,0,1,0,0|2,0,0]=4 2051 B14R2.2332 CCC1Cc2ccc(F)cc2CN1 Amb18947350 [0,1,0,1,0,0|2,0,0]=4 2052 B14R2.2332 CCC1Cc2ccc(O)cc2CC1 Amb25093765 [0,1,0,1,0,0|2,0,0]=4 2053 B14R2.2332 CNC1Cc2ccc(O)cc2CC1 Amb25858163 [0,1,0,1,0,0|2,0,0]=4 2054 B14R2.2332 Cc1ccc2CC(CC)NCc2c1 Amb18280058 [0,1,0,1,0,0|2,0,0]=4 2055 B14R2.134 CCC1Cc2cc(Cl)ccc2CN1 Amb25786397 [0,1,0,1,0,0|2,0,0]=4 2056 B14R2.134 COC1CCc2ccc(O)cc2O1 Amb25839275 [0,1,0,1,0,0|2,0,0]=4 2057 B14R2.134 CO[C@@H]1Cc2cc(N)ccc2CC1 Amb25103052 [0,1,0,1,0,0|1,0,0]=3 2058 B14R2.716 Brc1cc(CN2CCCO2)ccc1 Amb25091870 [0,1,0,1,0,0|2,0,0]=4 2059 B14R2.716 Brc1cccc(c1)CC2CCCN2 Amb17255078 [0,1,0,1,0,0|2,0,0]=4 2060 B14R2.716 Cc1cc(ccc1)SC2CCCO2 Amb25052909 [0,1,0,1,0,0|2,0,0]=4 2061 B14R2.716 Cc1cccc(c1)CC2CCCN2 Amb2234808 [0,1,0,1,0,0|2,0,0]=4 2062 B14R2.716 Clc1cc(C[C@@H]2CCCN2)ccc1 Amb24753982 [0,1,0,1,0,0|2,0,0]=4 2063 B14R2.716 Clc1cc(ccc1)SC2CCCO2 Amb24676456 [0,1,0,1,0,0|2,0,0]=4 2064 B14R2.716 Clc1cccc(c1)CC2CCCN2 Amb2234806 [0,1,0,1,0,0|2,0,0]=4 2065 B14R2.716 Fc1cc(ccc1)SC2CCCO2 Amb24476318 [0,1,0,1,0,0|2,0,0]=4 2066 B14R2.716 Fc1cccc(c1)CC2CCCN2 Amb10205345 [0,1,0,1,0,0|2,0,0]=4 2067 B14R2.716 Ic1cc(C[C@@H]2CCCN2)ccc1 Amb25688971 [0,1,0,1,0,0|2,0,0]=4 2068 B14R2.716 Nc1cc(CC2CCCC2)ccc1 Amb18563272 [0,1,0,1,0,0|2,0,0]=4 2069 B14R2.716 Nc1cc(CC2CCCO2)ccc1 Amb18195957 [0,1,0,1,0,0|1,0,0]=3 2070 B14R2.716 Oc1cc(CC2CCCC2)ccc1 Amb18563274 [0,1,0,1,0,0|2,0,0]=4 2071 B14R2.716 Oc1cc(CC2CCCN2)ccc1 Amb18062876 [0,1,0,1,0,0|2,0,0]=4 2072 B14R2.716 Oc1cc(ccc1)SC2CCCO2 Amb24414553 [0,1,0,1,0,0|2,0,0]=4 2073 B14R2.1801 CCC1Cc2cccc(Cl)c2CN1 Amb25198694 [0,1,0,1,0,0|2,0,0]=4 2074 B14R2.1801 CCC1Cc2cccc(O)c2CC1 Amb25713636 [0,1,0,1,0,0|2,0,0]=4 2075 B14R2.1801 CNC1Cc2cccc(F)c2CC1 Amb25195556 [0,1,0,1,0,0|2,0,0]=4 2076 B14R2.1801 CNC1Cc2cccc(O)c2CC1 Amb24443837 [0,1,0,1,0,0|2,0,0]=4 2077 B14R2.1801 COC1Cc2cccc(N)c2CC1 Amb25708341 [0,1,0,1,0,0|1,0,0]=3 2078 B14R2.1801 COC1Cc2cccc(O)c2CC1 Amb25092918 [0,1,0,1,0,0|1,0,0]=3 2079 B14R2.1801 COC=1Cc2cccc(N)c2CC1 Amb25243253 [0,1,0,1,0,0|1,0,1]=4 2080 B14R2.3491 CNC1(Cc2cccc(Cl)c2)CC1 Amb25742951 [0,1,0,1,0,0|2,0,0]=4 2081 B14R2.3491 Cc1cccc(CC2(CC2)NC)c1 Amb24444326 [0,1,0,1,0,0|2,0,0]=4 2082 B14R2.50 Brc1ccccc1CC2CCCN2 Amb18156960 [0,1,0,1,0,0|2,0,0]=4 2083 B14R2.50 Brc1ccccc1CN2CCCO2 Amb24393776 [0,1,0,1,0,0|2,0,0]=4 2084 B14R2.50 Brc1ccccc1OC2CCCO2 Amb24749325 [0,1,0,1,0,0|2,0,0]=4 2085 B14R2.50 Brc1ccccc1SC2CCCO2 Amb25215662 [0,1,0,1,0,0|2,0,0]=4 2086 B14R2.50 Cc1ccccc1CC2CCCN2 Amb2234652 [0,1,0,1,0,0|2,0,0]=4 2087 B14R2.50 Cc1ccccc1SC2CCCO2 Amb25833955 [0,1,0,1,0,0|2,0,0]=4 2088 B14R2.50 Clc1ccccc1CC2CCCN2 Amb17659180 [0,1,0,1,0,0|2,0,0]=4 2089 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2235504 [0,1,0,1,0,0|2,0,0]=4 2090 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2237175 [0,1,0,1,0,0|2,0,0]=4 2091 B14R2.50 Clc1ccccc1SC2CCCO2 Amb25838393 [0,1,0,1,0,0|2,0,0]=4 2092 B14R2.50 Fc1ccccc1CC2CCCN2 Amb17659181 [0,1,0,1,0,0|2,0,0]=4 2093 B14R2.50 Fc1ccccc1SC2CCCO2 Amb25852459 [0,1,0,1,0,0|2,0,0]=4 2094 B14R2.50 Ic1ccccc1OC2CCCO2 Amb24456026 [0,1,0,1,0,0|2,0,0]=4 2095 B14R2.50 Nc1[n]cccc1CC2CCCO2 Amb24493854 [0,1,0,1,0,0|2,0,0]=4 2096 B14R2.50 Nc1ccccc1CC2CCCN2 Amb18064662 [0,1,0,1,0,0|2,0,0]=4 2097 B14R2.50 Nc1ccccc1CC2CCCO2 Amb18195956 [0,1,0,1,0,0|1,0,0]=3 2098 B14R2.50 Oc1ccccc1CC2CCCN2 Amb18062875 [0,1,0,1,0,0|2,0,0]=4 2099 B14R2.50 Oc1ccccc1CN2CCCO2 Amb25663606 [0,1,0,1,0,0|2,0,0]=4 2100 B14R2.50 Oc1ccccc1SC2CCCO2 Amb25818317 [0,1,0,1,0,0|2,0,0]=4 2101 B14R2.142 CCC1Cc2c(Cl)cccc2CN1 Amb18324981 [0,1,0,1,0,0|2,0,0]=4 2102 B14R2.142 CCC1Cc2c(F)cccc2CN1 Amb18947351 [0,1,0,1,0,0|2,0,0]=4 2103 B14R2.142 CNC1Cc2c(Br)cccc2CC1 Amb25144314 [0,1,0,1,0,0|2,0,0]=4 2104 B14R2.142 CNC1Cc2c(O)cccc2CC1 Amb24451160 [0,1,0,1,0,0|2,0,0]=4 2105 B14R2.142 Cc1cccc2CNC(Cc12)CC Amb18280059 [0,1,0,1,0,0|2,0,0]=4 2106 B14R2.662 CN1CCC1Cc2ccccc2O Amb24527497 [0,1,0,1,0,0|2,0,0]=4 2107 B14R2.1128 CC1Nc2ccccc2CC1OC Amb24468004 [0,1,0,1,0,0|1,0,0]=3 2108 B14R2.1128 CNC1Cc2ccccc2CC1O Amb25211322 [0,1,0,1,0,0|2,0,0]=4 2109 B14R2.1128 CN[C@H]1Cc2ccccc2C[C@@H]1O Amb24664218 [0,1,0,1,0,0|2,0,0]=4 2110 B14R2.1128 CO[C@@H]1Cc2ccccc2C[C@H]1O Amb25271412 [0,1,0,1,0,0|1,0,0]=3 2111 B14R2.3429 CNC1(Cc2ccccc2O)CC1 Amb25118128 [0,1,0,1,0,0|2,0,0]=4 2112 B14R2.3429 COC1(CC1)Nc2ccccc2Cl Amb25131158 [0,1,0,1,0,0|2,0,0]=4 2113 B14R2.3429 COC1(CC1)Nc2ccccc2F Amb25180733 [0,1,0,1,0,0|2,0,0]=4 2114 B14R2.3429 Cc1ccccc1CC2(CC2)NC Amb25055703 [0,1,0,1,0,0|2,0,0]=4 2115 B14R2.3429 Cc1ccccc1NC2(CC2)OC Amb24096332 [0,1,0,1,0,0|2,0,0]=4 2116 B14R2.3429 OCC1(Cc2ccccc2Cl)CO1 Amb24414889 [0,1,0,1,0,0|2,0,0]=4 2117 B14R2.3429 OC[C@]1(Cc2ccccc2Cl)CO1 Amb25236172 [0,1,0,1,0,0|2,0,0]=4 2118 B14R2.3514 CCC1(Cc2ccccc2N1)CC Amb24398804 [0,1,0,1,0,0|2,0,0]=4 2119 B14R2.3514 COC1(CN)Cc2ccccc2C1 Amb18909040 [0,1,0,1,0,0|2,0,0]=4 2120 B14R2.3514 COC1(Cc2ccccc2C1)C#N Amb24678723 [0,1,0,1,0,0|2,0,0]=4 2121 B14R2.3514 COC1(Cc2ccccc2C1)OC Amb25244290 [0,1,0,1,0,0|0,0,0]=2 2122 B14R2.334 CC1(C)CNC1Cc2ccccc2 Amb25830751 [0,1,0,1,0,0|2,0,0]=4 2123 B14R2.780 CC(=O)C1CCC1c2ccccc2 Amb24548830 [0,1,0,1,0,0|2,0,0]=4 2124 B14R2.780 CC(=O)[C@@H]1CC[C@@H]1c2ccccc2 Amb24724006 [0,1,0,1,0,0|2,0,0]=4 2125 B14R2.780 CC(C)C1NCC1c2ccccc2 Amb24737266 [0,1,0,1,0,0|2,0,0]=4 2126 B14R2.781 CC(=O)N1Cc2ccccc2CO1 Amb25256548 [0,1,0,1,0,0|2,0,0]=4 2127 B14R2.781 CC(C)C1Cc2ccccc2CN1 Amb18127529 [0,1,0,1,0,0|2,0,0]=4 2128 B14R2.781 CC(C)C1Nc2ccccc2CO1 Amb24381598 [0,1,0,1,0,0|2,0,0]=4 2129 B14R2.781 CC(C)C1OCc2ccccc2O1 Amb25287357 [0,1,0,1,0,0|2,0,0]=4 2130 B14R2.781 CC(N)C1Cc2ccccc2CN1 Amb24718433 [0,1,0,1,0,0|2,0,0]=4 2131 B14R2.781 CC(O)C1CCc2ccccc2C1 Amb24447310 [0,1,0,1,0,0|2,0,0]=4 2132 B14R2.781 C[C@@H](N)C1CCc2ccccc2C1 Amb24404256 [0,1,0,1,0,0|2,0,0]=4 2133 B14R2.781 C[C@@H](O)C1CCc2ccccc2C1 Amb24352435 [0,1,0,1,0,0|2,0,0]=4 2134 B14R2.781 NC(=O)C1Cc2ccccc2CO1 Amb22643156 [0,1,0,1,0,0|2,0,0]=4 2135 B14R2.781 OB(O)C1Cc2ccccc2CO1 Amb24373065 [0,1,0,1,0,0|2,0,0]=4 2136 B14R2.781 OC(=O)C1Cc2ccccc2CO1 Amb22642211 [0,1,0,1,0,0|2,0,0]=4 2137 B14R2.781 OC(=O)[C@@H]1Cc2ccccc2CO1 Amb24365966 [0,1,0,1,0,0|2,0,0]=4 2138 B14R2.788 CC(=O)C1(Cc2ccccc2)CC1 Amb18560528 [0,1,0,1,0,0|2,0,0]=4 2139 B14R2.788 CC(Cl)C1(Cc2ccccc2)CC1 Amb25110314 [0,1,0,1,0,0|2,0,0]=4 2140 B14R2.788 CC(N)C1(Cc2ccccc2)CC1 Amb18065575 [0,1,0,1,0,0|2,0,0]=4 2141 B14R2.788 OC(=O)[C@]1(Cc2ccccc2)CO1 Amb25100998 [0,1,0,1,0,0|2,0,0]=4 2142 B14R2.4586 CC(C)C1C(C1C)c2ccccc2 Amb24379849 [0,1,0,1,0,0|2,0,0]=4 2143 B14R2.4586 CC(C)[C@@H]1[C@@H]([C@@H]1C)c2ccccc2 Amb24068902 [0,1,0,1,0,0|2,0,0]=4 2144 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb24451316 [0,1,0,1,0,0|2,0,0]=4 2145 B14R2.411 CC1(Cc2ccccc2)SCCS1 Amb25085320 [0,1,0,1,0,0|0,2,0]=4 2146 B14R2.411 ClC1(Nc2ccccc2)OCCS1 Amb24490401 [0,1,0,1,0,0|1,1,0]=4 2147 B14R2.727 CC1CCC1(O)Cc2ccccc2 Amb24551125 [0,1,0,1,0,0|2,0,0]=4 2148 B14R2.2969 CC1(CO)OCC1c2ccccc2 Amb24414910 [0,1,0,1,0,0|2,0,0]=4 2149 B14R2.2969 C[C@@]1(CO)OC[C@@H]1c2ccccc2 Amb25306643 [0,1,0,1,0,0|2,0,0]=4 2150 B14R2.2973 CCC1(O)Cc2ccccc2CC1 Amb18180606 [0,1,0,1,0,0|2,0,0]=4 2151 B14R2.2973 COP1(=O)OCc2ccccc2O1 Amb25696597 [0,1,0,1,0,0|2,0,0]=4 2152 B14R2.2973 COP1(=S)OCc2ccccc2O1 Amb22731583 [0,1,0,1,0,0|2,0,0]=4 2153 B14R3.49 C1C2NCCC2c3ccccc31 Amb25055187 [0,0,0,2,0,0|2,0,0]=4 2154 B14R3.453 O=C1c2ccccc2CC13CO3 Amb25833654 [0,0,0,2,0,0|2,0,0]=4 2155 B14R3.55 C1C2CCC(N2)c3ccccc31 Amb18126201 [0,0,0,2,0,0|2,0,0]=4 2156 B14R3.11777 C1OC12Cc3ccccc3CC2 Amb18797806 [0,0,0,2,0,0|1,0,0]=3 2157 B14R3.11777 C1OC2(CC2)Nc3ccccc31 Amb24642610 [0,0,0,2,0,0|2,0,0]=4 2158 B14R3.48 C1c2ccccc2C13OCCO3 Amb17778801 [0,0,0,2,0,0|0,0,0]=2 2159 B10R1.15 BrCC(c1ccccc1)O Amb17206105 [1,0,0,0,1,0|2,0,0]=4 2160 B10R1.15 C#C[C@H](O)c1ccccc1 Amb22360907 [1,0,0,0,1,0|1,0,1]=4 2161 B10R1.15 C/C=C(\C)c1ccccc1 Amb17940650 [1,0,0,0,1,0|1,0,1]=4 2162 B10R1.15 C=CC(O)c1ccccc1 Amb21520382 [1,0,0,0,1,0|1,0,1]=4 2163 B10R1.15 C=C[C@@H](O)c1ccccc1 Amb22348498 [1,0,0,0,1,0|1,0,1]=4 2164 B10R1.15 C=C[C@H](O)c1ccccc1 Amb22348430 [1,0,0,0,1,0|1,0,1]=4 2165 B10R1.15 CC(C#C)c1ccccc1 Amb24106607 [1,0,0,0,1,0|1,0,1]=4 2166 B10R1.15 CC(CN)c1ccccc1 Amb19958781 [1,0,0,0,1,0|2,0,0]=4 2167 B10R1.15 CC(ON)c1cc[n]cc1 Amb22397090 [1,0,0,0,1,0|2,0,0]=4 2168 B10R1.15 CC(ON)c1cccc[n]1 Amb22397048 [1,0,0,0,1,0|2,0,0]=4 2169 B10R1.15 CC(ON)c1ccccc1 Amb22491086 [1,0,0,0,1,0|1,0,0]=3 2170 B10R1.15 CC([Zn]Br)c1ccccc1 Amb22000433 [1,0,0,0,1,0|2,0,0]=4 2171 B10R1.15 CC([Zn]Cl)c1ccccc1 Amb22052836 [1,0,0,0,1,0|2,0,0]=4 2172 B10R1.15 CC(c1ccccc1)C#N Amb2387010 [1,0,0,0,1,0|2,0,0]=4 2173 B10R1.15 CCB(O)c1ccccc1 Amb25174287 [1,0,0,0,1,0|2,0,0]=4 2174 B10R1.15 CCC(C)c1c[n]ccc1 Amb24690132 [1,0,0,0,1,0|2,0,0]=4 2175 B10R1.15 CCC(N)c1ccccc1 Amb19959910 [1,0,0,0,1,0|2,0,0]=4 2176 B10R1.15 CCC(c1ccccc1)N Amb1108026 [1,0,0,0,1,0|2,0,0]=4 2177 B10R1.15 CCC(c1cccnc1)O Amb17231904 [1,0,0,0,1,0|2,0,0]=4 2178 B10R1.15 CCC(c1ccncc1)O Amb16233288 [1,0,0,0,1,0|2,0,0]=4 2179 B10R1.15 CCN(O)c1ccccc1 Amb25223262 [1,0,0,0,1,0|2,0,0]=4 2180 B10R1.15 CC[C@@H](N)c1ccccc1 Amb22265426 [1,0,0,0,1,0|2,0,0]=4 2181 B10R1.15 CC[C@@H](O)c1cccc[n]1 Amb25717055 [1,0,0,0,1,0|2,0,0]=4 2182 B10R1.15 CC[C@H](C)c1cc[n]cc1 Amb24599884 [1,0,0,0,1,0|2,0,0]=4 2183 B10R1.15 CC[C@H](Cl)c1ccccc1 Amb24429104 [1,0,0,0,1,0|2,0,0]=4 2184 B10R1.15 CC[C@H](N)c1ccccc1 Amb22265559 [1,0,0,0,1,0|2,0,0]=4 2185 B10R1.15 CC[C@H](O)c1c[n]ccc1 Amb24432697 [1,0,0,0,1,0|2,0,0]=4 2186 B10R1.15 CNC(C)c1c[n]ccc1 Amb22587688 [1,0,0,0,1,0|2,0,0]=4 2187 B10R1.15 CNC(C)c1cc[n]cc1 Amb22492289 [1,0,0,0,1,0|2,0,0]=4 2188 B10R1.15 CNC(C)c1cc[n]cc1 Amb22587687 [1,0,0,0,1,0|2,0,0]=4 2189 B10R1.15 CNC(C)c1cccc[n]1 Amb22274428 [1,0,0,0,1,0|2,0,0]=4 2190 B10R1.15 CNC(C)c1cccc[n]1 Amb22587689 [1,0,0,0,1,0|2,0,0]=4 2191 B10R1.15 CNC(c1ccccc1)C Amb1215689 [1,0,0,0,1,0|1,0,0]=3 2192 B10R1.15 CNC(c1ccccn1)C Amb10189608 [1,0,0,0,1,0|2,0,0]=4 2193 B10R1.15 CNC(c1ccccn1)C Amb1115311 [1,0,0,0,1,0|2,0,0]=4 2194 B10R1.15 CNC(c1cccnc1)C Amb10189690 [1,0,0,0,1,0|2,0,0]=4 2195 B10R1.15 CNC(c1cccnc1)C Amb1121577 [1,0,0,0,1,0|2,0,0]=4 2196 B10R1.15 CNC(c1ccncc1)C Amb10189609 [1,0,0,0,1,0|2,0,0]=4 2197 B10R1.15 CNC(c1ccncc1)C Amb1119143 [1,0,0,0,1,0|2,0,0]=4 2198 B10R1.15 CN[C@@H](C)c1cccc[n]1 Amb24744532 [1,0,0,0,1,0|2,0,0]=4 2199 B10R1.15 CN[C@@H](C)c1ccccc1 Amb17740009 [1,0,0,0,1,0|1,0,0]=3 2200 B10R1.15 CN[C@@H](C)c1ccccc1 Amb22899444 [1,0,0,0,1,0|1,0,0]=3 2201 B10R1.15 CN[C@@H](c1ccccc1)C Amb10844610 [1,0,0,0,1,0|1,0,0]=3 2202 B10R1.15 CN[C@H](C)c1c[n]ccc1 Amb25084519 [1,0,0,0,1,0|2,0,0]=4 2203 B10R1.15 CN[C@H](C)c1cc[n]cc1 Amb25114028 [1,0,0,0,1,0|2,0,0]=4 2204 B10R1.15 COC(=C)c1ccccc1 Amb10558859 [1,0,0,0,1,0|0,0,2]=4 2205 B10R1.15 COC(=S)c1ccccc1 Amb10569749 [1,0,0,0,1,0|0,1,1]=4 2206 B10R1.15 COC(=[NH2+])c1ccccc1 Amb10241351 [1,0,0,0,1,0|1,0,1]=4 2207 B10R1.15 COC(C)c1c[n][n]cc1 Amb24518776 [1,0,0,0,1,0|2,0,0]=4 2208 B10R1.15 COC(C)c1cc[n]cc1 Amb24102684 [1,0,0,0,1,0|1,0,0]=3 2209 B10R1.15 COC(C)c1ccccc1 Amb23568513 [1,0,0,0,1,0|0,0,0]=2 2210 B10R1.15 COC(Cl)c1ccccc1 Amb17940179 [1,0,0,0,1,0|1,0,0]=3 2211 B10R1.15 COC(O)c1c[n]ccc1 Amb25213606 [1,0,0,0,1,0|1,0,0]=3 2212 B10R1.15 COC(O)c1cccc[n]1 Amb25236210 [1,0,0,0,1,0|1,0,0]=3 2213 B10R1.15 COC(O)c1ccccc1 Amb25225981 [1,0,0,0,1,0|0,0,0]=2 2214 B10R1.15 CO[13C](=O)c1ccccc1 Amb22363354 [1,0,0,0,1,0|0,0,2]=4 2215 B10R1.15 CO[C@@H](Cl)c1ccccc1 Amb25108131 [1,0,0,0,1,0|1,0,0]=3 2216 B10R1.15 CPC(O)c1ccccc1 Amb25144461 [1,0,0,0,1,0|1,0,0]=3 2217 B10R1.15 CSC(C)c1cc[n]cc1 Amb25829904 [1,0,0,0,1,0|1,1,0]=4 2218 B10R1.15 C[C@@H](C=O)c1ccccc1 Amb24399258 [1,0,0,0,1,0|2,0,0]=4 2219 B10R1.15 C[C@@H](CBr)c1ccccc1 Amb25786304 [1,0,0,0,1,0|2,0,0]=4 2220 B10R1.15 C[C@@H](CCl)c1ccccc1 Amb24632311 [1,0,0,0,1,0|2,0,0]=4 2221 B10R1.15 C[C@@H](NN)c1ccccc1 Amb25824988 [1,0,0,0,1,0|2,0,0]=4 2222 B10R1.15 C[C@@H](NO)c1ccccc1 Amb20670899 [1,0,0,0,1,0|2,0,0]=4 2223 B10R1.15 C[C@@H](NO)c1ccccc1 Amb22736690 [1,0,0,0,1,0|2,0,0]=4 2224 B10R1.15 C[C@@H](ON)c1ccccc1 Amb25850037 [1,0,0,0,1,0|1,0,0]=3 2225 B10R1.15 C[C@H](C=O)c1ccccc1 Amb24476962 [1,0,0,0,1,0|2,0,0]=4 2226 B10R1.15 C[C@H](CCl)c1ccccc1 Amb24658260 [1,0,0,0,1,0|2,0,0]=4 2227 B10R1.15 C[C@H](NO)c1ccccc1 Amb20670900 [1,0,0,0,1,0|2,0,0]=4 2228 B10R1.15 C[C@H](NO)c1ccccc1 Amb22736688 [1,0,0,0,1,0|2,0,0]=4 2229 B10R1.15 ClCC(c1ccccc1)C Amb17232147 [1,0,0,0,1,0|2,0,0]=4 2230 B10R1.15 ClC[C@@H](c1ccccc1)O Amb16231709 [1,0,0,0,1,0|2,0,0]=4 2231 B10R1.15 N#C[C@@H](O)c1ccccc1 Amb22744732 [1,0,0,0,1,0|2,0,0]=4 2232 B10R1.15 N#C[C@H](O)c1ccccc1 Amb21618705 [1,0,0,0,1,0|2,0,0]=4 2233 B10R1.15 NCC(O)c1ccccc1 Amb21961704 [1,0,0,0,1,0|2,0,0]=4 2234 B10R1.15 NCC(c1ccccc1)C Amb1085937 [1,0,0,0,1,0|2,0,0]=4 2235 B10R1.15 NCC(c1ccccc1)O Amb2383121 [1,0,0,0,1,0|2,0,0]=4 2236 B10R1.15 NC[C@@H](O)c1ccccc1 Amb24107154 [1,0,0,0,1,0|2,0,0]=4 2237 B10R1.15 NC[C@@H](c1ccccc1)O Amb10070626 [1,0,0,0,1,0|2,0,0]=4 2238 B10R1.15 NC[C@H](c1ccccc1)C Amb10070369 [1,0,0,0,1,0|2,0,0]=4 2239 B10R1.15 NNC(O)c1ccccc1 Amb25306494 [1,0,0,0,1,0|2,0,0]=4 2240 B10R1.15 NNC(c1ccccc1)C Amb10610271 [1,0,0,0,1,0|2,0,0]=4 2241 B10R1.15 NOC(c1ccccc1)C Amb17089185 [1,0,0,0,1,0|1,0,0]=3 2242 B10R1.15 O=CC(c1ccccc1)O Amb17593446 [1,0,0,0,1,0|2,0,0]=4 2243 B10R1.15 OC(CF)c1ccccc1 Amb22731897 [1,0,0,0,1,0|2,0,0]=4 2244 B10R1.15 ONC(c1ccccc1)C Amb10605006 [1,0,0,0,1,0|2,0,0]=4 2245 B10R1.15 O[C@@H](CBr)c1ccccc1 Amb19929326 [1,0,0,0,1,0|2,0,0]=4 2246 B10R1.15 O[C@@H](CF)c1ccccc1 Amb24389146 [1,0,0,0,1,0|2,0,0]=4 2247 B10R1.15 O[C@@H](CI)c1ccccc1 Amb25738089 [1,0,0,0,1,0|2,0,0]=4 2248 B10R1.15 O[C@@H](c1ccccc1)C#C Amb10844978 [1,0,0,0,1,0|1,0,1]=4 2249 B10R1.15 O[C@H](CBr)c1ccccc1 Amb19929329 [1,0,0,0,1,0|2,0,0]=4 2250 B10R1.15 O[C@H](CF)c1ccccc1 Amb24437736 [1,0,0,0,1,0|2,0,0]=4 2251 B10R1.15 SCC(c1ccccc1)O Amb10608997 [1,0,0,0,1,0|2,0,0]=4 2252 B10R1.27 CCC(Cc1cccs1)O Amb17477783 [1,0,0,0,1,0|2,0,0]=4 2253 B10R1.27 CCC(O)Cc1c[s]cc1 Amb18182141 [1,0,0,0,1,0|2,0,0]=4 2254 B10R1.27 CNC(C)Cc1c[s]cc1 Amb18292049 [1,0,0,0,1,0|2,0,0]=4 2255 B10R1.27 CNC(C)Cc1c[s]cc1 Amb20623806 [1,0,0,0,1,0|2,0,0]=4 2256 B10R1.27 CNC(C)Cc1ccc[s]1 Amb20623809 [1,0,0,0,1,0|2,0,0]=4 2257 B10R1.27 CSC(C)C[n]1cccc1 Amb25172852 [1,0,0,0,1,0|1,1,0]=4 2258 B10R1.9 COB(OC)c1c[s]cc1 Amb25178553 [0,0,0,0,2,0|2,0,0]=4 2259 B10R1.9 COC(OC)[n]1ccc[n]1 Amb25831198 [0,0,0,0,2,0|2,0,0]=4 2260 B10R1.9 COC(OC)c1c[n]co1 Amb22371150 [0,0,0,0,2,0|2,0,0]=4 2261 B10R1.9 COC(OC)c1c[s]c[n]1 Amb25799911 [0,0,0,0,2,0|2,0,0]=4 2262 B10R1.9 COC(OC)c1ccc[s]1 Amb20671376 [0,0,0,0,2,0|1,0,0]=3 2263 B10R1.9 COC(OC)c1ccco1 Amb22228156 [0,0,0,0,2,0|1,0,0]=3 2264 B10R1.9 COC(c1ncc[nH]1)OC Amb13883550 [0,0,0,0,2,0|2,0,0]=4 2265 B12R1.27 C#CC(O)CCc1ccccc1 Amb25024201 [1,0,0,0,0,1|1,0,1]=4 2266 B12R1.27 C#CC(O)COc1ccccc1 Amb25686511 [1,0,0,0,0,1|1,0,1]=4 2267 B12R1.27 C#C[C@@H](O)COc1ccccc1 Amb25205027 [1,0,0,0,0,1|1,0,1]=4 2268 B12R1.27 C#C[C@H](O)CCc1ccccc1 Amb25266374 [1,0,0,0,0,1|1,0,1]=4 2269 B12R1.27 C=CC(O)CSc1ccccc1 Amb24273355 [1,0,0,0,0,1|1,0,1]=4 2270 B12R1.27 CC(C#C)OCc1ccccc1 Amb25208112 [1,0,0,0,0,1|1,0,1]=4 2271 B12R1.27 CC(C#N)NCc1ccccc1 Amb17044860 [1,0,0,0,0,1|2,0,0]=4 2272 B12R1.27 CC(C#N)OCc1ccccc1 Amb18797967 [1,0,0,0,0,1|2,0,0]=4 2273 B12R1.27 CC(C#N)SCc1ccccc1 Amb18808999 [1,0,0,0,0,1|2,0,0]=4 2274 B12R1.27 CC(C=O)OCc1ccccc1 Amb18646071 [1,0,0,0,0,1|2,0,0]=4 2275 B12R1.27 CC(CCc1ccccc1)NN Amb22445317 [1,0,0,0,0,1|2,0,0]=4 2276 B12R1.27 CC(CCl)CNc1ccccc1 Amb22756334 [1,0,0,0,0,1|2,0,0]=4 2277 B12R1.27 CC(CCl)OCc1ccccc1 Amb25257973 [1,0,0,0,0,1|2,0,0]=4 2278 B12R1.27 CC(CF)NCc1ccccc1 Amb24536598 [1,0,0,0,0,1|2,0,0]=4 2279 B12R1.27 CC(CN)CNc1ccccc1 Amb19027860 [1,0,0,0,0,1|2,0,0]=4 2280 B12R1.27 CC(CN)NCc1ccccc1 Amb18646179 [1,0,0,0,0,1|2,0,0]=4 2281 B12R1.27 CC(CN)OCc1ccccc1 Amb18312421 [1,0,0,0,0,1|2,0,0]=4 2282 B12R1.27 CC(CNc1ccccc1)C=C Amb25080486 [1,0,0,0,0,1|1,0,1]=4 2283 B12R1.27 CC(CNc1ccccc1)NN Amb18646401 [1,0,0,0,0,1|2,0,0]=4 2284 B12R1.27 CC(CO)OCc1ccccc1 Amb25667474 [1,0,0,0,0,1|2,0,0]=4 2285 B12R1.27 CC(COc1ccccc1)NN Amb18563755 [1,0,0,0,0,1|2,0,0]=4 2286 B12R1.27 CCC(C)CNc1cc[n]cc1 Amb19028789 [1,0,0,0,0,1|2,0,0]=4 2287 B12R1.27 CCC(C)CNc1cccc[n]1 Amb19031075 [1,0,0,0,0,1|2,0,0]=4 2288 B12R1.27 CCC(C)NCc1c[n]ccc1 Amb20673665 [1,0,0,0,0,1|2,0,0]=4 2289 B12R1.27 CCC(C)NCc1cc[n]cc1 Amb20673659 [1,0,0,0,0,1|2,0,0]=4 2290 B12R1.27 CCC(C)NCc1cccc[n]1 Amb20673664 [1,0,0,0,0,1|2,0,0]=4 2291 B12R1.27 CCC(CCc1ccccc1)O Amb17138574 [1,0,0,0,0,1|1,0,0]=3 2292 B12R1.27 CCC(CNc1ccccc1)O Amb13952005 [1,0,0,0,0,1|1,0,0]=3 2293 B12R1.27 CCC(CSc1ccccc1)N Amb17485970 [1,0,0,0,0,1|2,0,0]=4 2294 B12R1.27 CCC(N)CNc1ccccc1 Amb19009674 [1,0,0,0,0,1|2,0,0]=4 2295 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [1,0,0,0,0,1|2,0,0]=4 2296 B12R1.27 CCC(O)CNc1cccc[n]1 Amb25350283 [1,0,0,0,0,1|2,0,0]=4 2297 B12R1.27 CCC(O)OCc1ccccc1 Amb25793622 [1,0,0,0,0,1|1,0,0]=3 2298 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [1,0,0,0,0,1|1,0,1]=4 2299 B12R1.27 CCC(O)\C=N\c1ccccc1 Amb25333476 [1,0,0,0,0,1|1,0,1]=4 2300 B12R1.27 CC[C@@H](O)C#Cc1ccccc1 Amb24525022 [1,0,0,0,0,1|1,0,1]=4 2301 B12R1.27 CC[C@@H](O)\C=C\c1ccccc1 Amb25320497 [1,0,0,0,0,1|1,0,1]=4 2302 B12R1.27 CC[C@H](C)CNc1ccccc1 Amb25843960 [1,0,0,0,0,1|1,0,0]=3 2303 B12R1.27 CC[C@H](O)CNc1cc[n]cc1 Amb24372478 [1,0,0,0,0,1|2,0,0]=4 2304 B12R1.27 CC[C@H](O)CNc1cccc[n]1 Amb24364763 [1,0,0,0,0,1|2,0,0]=4 2305 B12R1.27 CNC(C)CNc1cc[n]cc1 Amb24368269 [1,0,0,0,0,1|2,0,0]=4 2306 B12R1.27 CNC(C)CNc1ccccc1 Amb18312626 [1,0,0,0,0,1|1,0,0]=3 2307 B12R1.27 CNC(C)\C=C\c1ccccc1 Amb18126307 [1,0,0,0,0,1|1,0,1]=4 2308 B12R1.27 CNC(CCc1ccccc1)C Amb1138722 [1,0,0,0,0,1|1,0,0]=3 2309 B12R1.27 CNC(CCc1cccnc1)C Amb17507452 [1,0,0,0,0,1|2,0,0]=4 2310 B12R1.27 COC(=N)CNc1ccccc1 Amb24597022 [1,0,0,0,0,1|1,0,1]=4 2311 B12R1.27 COC(=N)COc1ccccc1 Amb18798404 [1,0,0,0,0,1|1,0,1]=4 2312 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [1,0,0,0,0,1|0,0,2]=4 2313 B12R1.27 COC(C)CNc1c[n]cc[n]1 Amb24490535 [1,0,0,0,0,1|2,0,0]=4 2314 B12R1.27 COC(C)CNc1c[n]ccc1 Amb25359695 [1,0,0,0,0,1|1,0,0]=3 2315 B12R1.27 COC(C)CNc1cc[n]c[n]1 Amb24422810 [1,0,0,0,0,1|2,0,0]=4 2316 B12R1.27 COC(C)CNc1cccc[n]1 Amb25689750 [1,0,0,0,0,1|1,0,0]=3 2317 B12R1.27 COC(C)CNc1ccccc1 Amb19025483 [1,0,0,0,0,1|0,0,0]=2 2318 B12R1.27 CSC(C)CNc1ccccc1 Amb18312645 [1,0,0,0,0,1|0,1,0]=3 2319 B12R1.27 C[C@@H](CCl)OCc1ccccc1 Amb25320908 [1,0,0,0,0,1|2,0,0]=4 2320 B12R1.27 C[C@@H](CN)NCc1ccccc1 Amb24396541 [1,0,0,0,0,1|2,0,0]=4 2321 B12R1.27 C[C@@H](CO)NCc1ccccc1 Amb19301927 [1,0,0,0,0,1|2,0,0]=4 2322 B12R1.27 C[C@H](C=O)OCc1ccccc1 Amb25326165 [1,0,0,0,0,1|2,0,0]=4 2323 B12R1.27 C[C@H](CO)NCc1ccccc1 Amb19375302 [1,0,0,0,0,1|2,0,0]=4 2324 B12R1.27 C[C@H](CO)OCc1ccccc1 Amb25694316 [1,0,0,0,0,1|2,0,0]=4 2325 B12R1.27 C\C(\CNc1ccccc1)=C\C Amb24636864 [1,0,0,0,0,1|1,0,1]=4 2326 B12R1.27 ClCC(CNc1ccccc1)O Amb10565986 [1,0,0,0,0,1|2,0,0]=4 2327 B12R1.27 N#CC(O)CCc1ccccc1 Amb18177732 [1,0,0,0,0,1|2,0,0]=4 2328 B12R1.27 N#CC(O)CSc1ccccc1 Amb25051459 [1,0,0,0,0,1|2,0,0]=4 2329 B12R1.27 N#C[C@@H](O)CCc1ccccc1 Amb25073440 [1,0,0,0,0,1|2,0,0]=4 2330 B12R1.27 N#C[C@@H](O)COc1ccccc1 Amb24474239 [1,0,0,0,0,1|2,0,0]=4 2331 B12R1.27 N#C[C@H](O)CCc1ccccc1 Amb24344695 [1,0,0,0,0,1|2,0,0]=4 2332 B12R1.27 NCC(CNc1ccccc1)O Amb17138613 [1,0,0,0,0,1|2,0,0]=4 2333 B12R1.27 NCC(COc1ccccc1)O Amb1139174 [1,0,0,0,0,1|2,0,0]=4 2334 B12R1.27 NC[C@@H](O)COc1ccccc1 Amb22747719 [1,0,0,0,0,1|2,0,0]=4 2335 B12R1.27 O=CC(CSc1ccccc1)C Amb17594629 [1,0,0,0,0,1|2,0,0]=4 2336 B12R1.27 O=C[C@@H](OCc1ccccc1)C Amb17609288 [1,0,0,0,0,1|2,0,0]=4 2337 B12R1.27 OCC(CNc1ccccc1)O Amb17307124 [1,0,0,0,0,1|2,0,0]=4 2338 B12R1.27 OCC(COc1ccccc1)C Amb17232599 [1,0,0,0,0,1|2,0,0]=4 2339 B12R1.27 OC[C@@H](COc1ccccc1)O Amb10982588 [1,0,0,0,0,1|2,0,0]=4 2340 B12R1.27 OC[C@@H](O)CNc1ccccc1 Amb18792912 [1,0,0,0,0,1|2,0,0]=4 2341 B12R1.27 OC[C@@H](OCc1ccccc1)C Amb17609287 [1,0,0,0,0,1|2,0,0]=4 2342 B12R1.27 O[C@H](CCl)CNc1ccccc1 Amb24426200 [1,0,0,0,0,1|2,0,0]=4 2343 B12R1.1748 CC(CC1C=CC=CC=C1)NC Amb24696440 [1,0,0,0,0,1|1,0,1]=4 2344 B14R1.546 CCC(CC)NCCc1ccccc1 Amb22587067 [0,0,0,0,0,2|2,0,0]=4 2345 B14R1.546 CCC(CC)NOCc1ccccc1 Amb25263226 [0,0,0,0,0,2|2,0,0]=4 2346 B14R1.546 CCC(COCc1ccccc1)NC Amb19079623 [0,0,0,0,0,2|2,0,0]=4 2347 B14R1.546 COC(CCCc1ccccc1)OC Amb10559986 [0,0,0,0,0,2|0,0,0]=2 2348 B14R1.546 COC(CCNc1cccc[n]1)OC Amb24072073 [0,0,0,0,0,2|1,0,0]=3 2349 B14R1.546 COC(CNCc1ccccc1)OC Amb22274219 [0,0,0,0,0,2|0,0,0]=2 2350 B14R1.546 COC(COCc1ccccc1)CN Amb24559882 [0,0,0,0,0,2|2,0,0]=4 2351 B14R1.546 COC(COCc1ccccc1)OC Amb10807987 [0,0,0,0,0,2|0,0,0]=2 2352 B14R1.546 CO[C@@H](COCc1ccccc1)CO Amb25316044 [0,0,0,0,0,2|2,0,0]=4 2353 B14R1.546 CO[C@H](COCc1ccccc1)C=O Amb25370646 [0,0,0,0,0,2|2,0,0]=4