0 B10R1.66 CC(=C)CC[n]1ccc[n]1 Amb24436914 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 CC(=N)NCc1c[nH]c[n]1 Amb25061481 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 CC(=N)NCc1c[n]c[s]1 Amb25146938 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.66 CC(=N)NCc1c[s]c[n]1 Amb25323741 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 CC(=N)NCc1cc[n]o1 Amb24481279 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 CC(=N)NCc1cco[n]1 Amb25287466 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 CC(=N)NCc1coc[n]1 Amb24548006 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 CC(=O)C#Cc1cc[nH][n]1 Amb25769431 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 CC(=O)C#Cc1ccc[s]1 Amb25130575 [0,0,0,0,0,0|1,1,1]=3 9 B10R1.66 CC(=O)CC[n]1cc[n][n]1 Amb24666012 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.66 CC(=O)CC[n]1cccc1 Amb25138234 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 CC(=O)CCc1[n]cco1 Amb18832106 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.66 CC(=O)CCc1c[n][s][n]1 Amb24548531 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 CC(=O)CCc1c[n]co1 Amb18832107 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.66 CC(=O)CCc1c[s][n][n]1 Amb24537997 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.66 CC(=O)CCc1c[s]c[n]1 Amb25133415 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.66 CC(=O)CCc1cc[nH]c1 Amb18223260 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.66 CC(=O)CCc1cc[n][s]1 Amb24699528 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.66 CC(=O)CCc1ccc[nH]1 Amb24505108 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.66 CC(=O)CCc1cco[n]1 Amb18832105 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,0,0|2,1,0]=3 22 B10R1.66 CC(=O)CSc1[n]cc[s]1 Amb18178062 [0,0,0,0,0,0|3,1,0]=4 23 B10R1.66 CC(=O)CSc1[n]cco1 Amb25805618 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.66 CC(=O)NCC1CC=CC1 Amb25372349 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.66 CC(=O)NCc1[n]cc[s]1 Amb24096277 [0,0,0,0,0,0|2,1,0]=3 26 B10R1.66 CC(=O)NCc1[n]co[n]1 Amb24692411 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.66 CC(=O)NCc1c[nH][n][n]1 Amb24751772 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.66 CC(=O)NCc1c[n][n][s]1 Amb24681408 [0,0,0,0,0,0|3,1,0]=4 29 B10R1.66 CC(=O)NCc1c[s]c[n]1 Amb25853246 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,0,0|1,1,0]=2 32 B10R1.66 CC(=O)NCc1coc[n]1 Amb25051905 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 CC(=O)NCc1cscc1 Amb10945323 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.66 CC(=O)OCC1CC=CC1 Amb24395725 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.66 CC(=O)OCC=1CCCC1 Amb25832571 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.66 CC(=O)OCc1[n]oc[n]1 Amb25204922 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.66 CC(=O)OCc1c[nH]c[n]1 Amb20248319 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.66 CC(=O)OCc1c[n][n][s]1 Amb25781753 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.66 CC(=O)OCc1c[n]c[s]1 Amb25279956 [0,0,0,0,0,0|1,1,0]=2 40 B10R1.66 CC(=O)OCc1c[n]o[n]1 Amb24482118 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.66 CC(=O)OCc1cc[n]o1 Amb25840725 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.66 CC(=O)OCc1cc[s]c1 Amb25369522 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.66 CC(=O)OCc1ccc[nH]1 Amb24478971 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.66 CC(=O)OCc1ccc[s]1 Amb25077698 [0,0,0,0,0,0|0,1,0]=1 45 B10R1.66 CC(=O)OCc1cco[n]1 Amb24482875 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.66 CC(=O)SCc1[n]cc[s]1 Amb24691828 [0,0,0,0,0,0|1,2,0]=3 47 B10R1.66 CC(=O)SCc1c[nH]c[n]1 Amb24482136 [0,0,0,0,0,0|2,1,0]=3 48 B10R1.66 CC(=O)\C=C/c1c[nH]c[n]1 Amb25774188 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [0,0,0,0,0,0|1,0,1]=2 50 B10R1.66 CC(=O)\C=C/c1cccs1 Amb10069576 [0,0,0,0,0,0|1,1,1]=3 51 B10R1.66 CC(=O)\C=C\c1[n]cc[s]1 Amb24478442 [0,0,0,0,0,0|2,1,1]=4 52 B10R1.66 CC(=O)\C=C\c1c[n]c[nH]1 Amb25203811 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(=O)\C=C\c1c[n]c[s]1 Amb24478227 [0,0,0,0,0,0|2,1,1]=4 54 B10R1.66 CC(=O)\C=C\c1c[s]c[n]1 Amb24673605 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 CC(=O)\C=C\c1cc[s]c1 Amb22370887 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.66 CC(=O)\C=C\c1ccco1 Amb1153591 [0,0,0,0,0,0|1,0,1]=2 57 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.66 CC(=S)OCc1ccco1 Amb10807433 [0,0,0,0,0,0|0,1,0]=1 59 B10R1.66 CC(Br)CCc1ccc[nH]1 Amb24452941 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.66 CC(Br)CCc1ccco1 Amb24529291 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.66 CC(C)=CC[n]1cccc1 Amb25698106 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.66 CC(C)=CCc1ccc[nH]1 Amb25147307 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.66 CC(C)=CCc1ccco1 Amb24729430 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.66 CC(C)NCc1c[n]co1 Amb18288827 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.66 CC(C)NCc1cc[n]o1 Amb18287135 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.66 CC(C)NCc1ccc[nH]1 Amb18296110 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.66 CC(C)OC[n]1cccc1 Amb24665436 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 CC(C)OCc1[n]cc[s]1 Amb24603320 [0,0,0,0,0,0|2,1,1]=4 69 B10R1.66 CC(C)OCc1c[nH]c[n]1 Amb24624389 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.66 CC(C)SCc1cc[n]o1 Amb25107371 [0,0,0,0,0,0|2,1,1]=4 71 B10R1.66 CC(CCc1ccco1)N Amb1080929 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.66 CC(CCc1cccs1)O Amb17507262 [0,0,0,0,0,0|1,1,2]=4 73 B10R1.66 CC(Cl)CCc1ccc[nH]1 Amb25086421 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.66 CC(Cl)CCc1ccc[s]1 Amb18808608 [0,0,0,0,0,0|2,1,1]=4 75 B10R1.66 CC(N)C#Cc1ccco1 Amb25374672 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.66 CC(N)CCc1cc[n]o1 Amb18831844 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.66 CC(NCc1ccco1)C Amb1112725 [0,0,0,0,0,0|2,0,1]=3 78 B10R1.66 CC(NCc1ccco1)C Amb2118781 [0,0,0,0,0,0|2,0,1]=3 79 B10R1.66 CC(NCc1cccs1)C Amb2118445 [0,0,0,0,0,0|2,1,1]=4 80 B10R1.66 CC(O)\C=C\c1ccco1 Amb24504965 [0,0,0,0,0,0|1,0,3]=4 81 B10R1.66 CN(C)CCc1ccc[s]1 Amb24554364 [0,0,0,0,0,0|3,1,0]=4 82 B10R1.66 CN(C)NCc1ccc[nH]1 Amb24479541 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.66 CN(C)NCc1ccc[s]1 Amb24479505 [0,0,0,0,0,0|3,1,0]=4 84 B10R1.66 CN(C)NCc1ccco1 Amb25053633 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.66 CN(\N=C\c1ccco1)C Amb16192915 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.66 CS(=O)CC[n]1ccc[n]1 Amb25379476 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.66 C[C@H](O)\C=C\c1ccco1 Amb24553065 [0,0,0,0,0,0|1,0,3]=4 88 B10R1.66 C\C(\N)=N\Cc1cc[nH][n]1 Amb24734572 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.66 C\C(\N)=N\Oc1ccc[s]1 Amb25048336 [0,0,0,0,0,0|3,1,0]=4 90 B10R1.66 ClC(=O)\C=C\c1ccco1 Amb16230244 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.66 FC(SCc1ccco1)F Amb1675336 [0,0,0,0,0,0|2,1,1]=4 92 B10R1.66 NC(=N)CCc1ccc[s]1 Amb18065430 [0,0,0,0,0,0|3,1,0]=4 93 B10R1.66 NC(=N)CCc1ccco1 Amb18063862 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.66 NC(=N)NCc1cc[n]o1 Amb25281468 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.66 NC(=N)NCc1ccc[nH]1 Amb25147625 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.66 NC(=N)NCc1ccc[s]1 Amb18796868 [0,0,0,0,0,0|3,1,0]=4 97 B10R1.66 NC(=N)NCc1ccco1 Amb1981457 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.66 NC(=N)SCc1cc[n]o1 Amb24750247 [0,0,0,0,0,0|3,1,0]=4 99 B10R1.66 NC(=N)SCc1ccc[s]1 Amb25724457 [0,0,0,0,0,0|2,2,0]=4 100 B10R1.66 NC(=N)SCc1ccco1 Amb24738572 [0,0,0,0,0,0|2,1,0]=3 101 B10R1.66 NC(=O)C=Cc1ccc[s]1 Amb24061584 [0,0,0,0,0,0|2,1,1]=4 102 B10R1.66 NC(=O)CCc1[n]cc[s]1 Amb24061373 [0,0,0,0,0,0|3,1,0]=4 103 B10R1.66 NC(=O)CCc1c[n]c[nH]1 Amb24563863 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.66 NC(=O)CCc1ccoc1 Amb24722346 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.66 NC(=O)CNc1ccc[s]1 Amb25301327 [0,0,0,0,0,0|3,1,0]=4 106 B10R1.66 NC(=O)CSc1[n]cco1 Amb25360614 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.66 NC(=O)NCc1[n]cc[s]1 Amb18791803 [0,0,0,0,0,0|3,1,0]=4 108 B10R1.66 NC(=O)NCc1cc[n]o1 Amb25192277 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.66 NC(=O)NCc1cc[s]c1 Amb25376682 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.66 NC(=O)NCc1ccc[nH]1 Amb25237330 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,0,0|2,0,0]=2 112 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,0,0|2,1,0]=3 113 B10R1.66 NC(=O)OCC=1CCCC1 Amb25102391 [0,0,0,0,0,0|2,0,2]=4 114 B10R1.66 NC(=O)\C=C\c1ccc[nH]1 Amb24612374 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.66 NC(=O)\N=C\c1ccc[s]1 Amb24340487 [0,0,0,0,0,0|2,1,1]=4 116 B10R1.66 NC(=O)\N=C\c1ccco1 Amb25173612 [0,0,0,0,0,0|2,0,1]=3 117 B10R1.66 NC(=S)CCc1ccco1 Amb17232155 [0,0,0,0,0,0|2,1,0]=3 118 B10R1.66 NC(=S)CCc1cccs1 Amb17232842 [0,0,0,0,0,0|2,2,0]=4 119 B10R1.66 NC(=S)NCc1cc[n]o1 Amb25070310 [0,0,0,0,0,0|3,1,0]=4 120 B10R1.66 NC(=S)NCc1ccco1 Amb1152245 [0,0,0,0,0,0|2,1,0]=3 121 B10R1.66 NC(=S)\C=C/c1ccco1 Amb18108368 [0,0,0,0,0,0|2,1,1]=4 122 B10R1.66 NC(=S)\C=C\c1ccco1 Amb24425561 [0,0,0,0,0,0|2,1,1]=4 123 B10R1.66 O=C(Cl)C#Cc1ccco1 Amb24519054 [0,0,0,0,0,0|2,0,1]=3 124 B10R1.66 O=C(Cl)CCc1c[nH]c[n]1 Amb25042223 [0,0,0,0,0,0|4,0,0]=4 125 B10R1.66 O=C(Cl)CCc1ccc[s]1 Amb23440823 [0,0,0,0,0,0|2,1,0]=3 126 B10R1.66 O=C(Cl)OCc1[n]cc[s]1 Amb24626278 [0,0,0,0,0,0|2,1,0]=3 127 B10R1.66 OC(=O)C#Cc1ccco1 Amb20672984 [0,0,0,0,0,0|2,0,1]=3 128 B10R1.66 OC(=O)C#Cc1cccs1 Amb17138439 [0,0,0,0,0,0|2,1,1]=4 129 B10R1.66 OC(=O)C=Cc1ccc[s]1 Amb24076486 [0,0,0,0,0,0|2,1,1]=4 130 B10R1.66 OC(=O)CCC1=CCCO1 Amb25223473 [0,0,0,0,0,0|2,0,2]=4 131 B10R1.66 OC(=O)CCC=1CC=CC1 Amb25264551 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.66 OC(=O)CC[n]1ccc[n]1 Amb22586761 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.66 OC(=O)CCc1[nH]cc[n]1 Amb23401501 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.66 OC(=O)CCc1c[nH]c[n]1 Amb22370608 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.66 OC(=O)CCc1c[nH]cn1 Amb10070816 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.66 OC(=O)CCc1c[n]c[s]1 Amb18830641 [0,0,0,0,0,0|3,1,0]=4 137 B10R1.66 OC(=O)CCc1c[n]co1 Amb22011672 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.66 OC(=O)CCc1cc[nH]c1 Amb18562783 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.66 OC(=O)CCc1cc[n][nH]1 Amb18202888 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.66 OC(=O)CCc1cc[n][s]1 Amb18830640 [0,0,0,0,0,0|3,1,0]=4 141 B10R1.66 OC(=O)CCc1cc[s][n]1 Amb18830643 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.66 OC(=O)CCc1ccc[nH]1 Amb10602142 [0,0,0,0,0,0|3,0,0]=3 143 B10R1.66 OC(=O)CCc1ccco1 Amb1153073 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.66 OC(=O)CCc1cccs1 Amb1154297 [0,0,0,0,0,0|2,1,0]=3 145 B10R1.66 OC(=O)CCc1ccno1 Amb1092001 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.66 OC(=O)CCc1ccoc1 Amb18643489 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.66 OC(=O)CCc1cocn1 Amb17399866 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.66 OC(=O)CCc1cscc1 Amb1153814 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.66 OC(=O)CCc1ncco1 Amb17399867 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.66 OC(=O)CCc1nnco1 Amb17138394 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.66 OC(=O)CCn1cccc1 Amb1130611 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.66 OC(=O)CCn1cccn1 Amb1159216 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.66 OC(=O)CNc1c[n]co1 Amb25317924 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.66 OC(=O)CNc1cc[n]o1 Amb24575684 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.66 OC(=O)CSc1[n]cco1 Amb24647960 [0,0,0,0,0,0|4,0,0]=4 156 B10R1.66 OC(=O)CSc1ccc[nH]1 Amb18644915 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.66 OC(=O)\C=C\c1c[n]co1 Amb24696626 [0,0,0,0,0,0|3,0,1]=4 158 B10R1.66 OC(=O)\C=C\c1ccc[nH]1 Amb18643136 [0,0,0,0,0,0|3,0,1]=4 159 B10R1.66 SC(=S)NCc1ccco1 Amb16231255 [0,0,0,0,0,0|2,1,0]=3 160 B10R1.66 [O-]C(=O)\C=C/c1ccco1 Amb22366386 [0,0,0,0,0,0|2,0,1]=3 161 B10R1.66 [O-]P(=O)CCc1ccco1 Amb19861305 [0,0,0,0,0,0|3,0,0]=3 162 B10R1.66 [O-][N+](=O)CCc1cccs1 Amb17400023 [0,0,0,0,0,0|3,1,0]=4 163 B10R1.66 [O-][N+](=O)\C=C/c1ccco1 Amb21618923 [0,0,0,0,0,0|3,0,1]=4 164 B10R1.66 [S-]C(=S)NCc1cccs1 Amb16228051 [0,0,0,0,0,0|2,2,0]=4 165 B9R1.12 BrCCCc1ccco1 Amb17104550 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.12 C=C/C=C/c1ccco1 Amb17939509 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.12 C=CCCc1ccc[nH]1 Amb25858739 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.12 C=COCc1ccc[s]1 Amb25337439 [1,0,0,0,0,0|0,1,1]=3 169 B9R1.12 C=COCc1ccco1 Amb24631898 [1,0,0,0,0,0|0,0,1]=2 170 B9R1.12 C=CSCc1ccco1 Amb24757008 [1,0,0,0,0,0|0,1,1]=3 171 B9R1.12 CCCCc1ccco1 Amb10070290 [1,0,0,0,0,0|1,0,1]=3 172 B9R1.12 CCCSc1ccco1 Amb25249856 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.12 CCNCc1c[n]co1 Amb18291304 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.12 CCNCc1cc[n]o1 Amb18975194 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.12 CCNCc1ccc[nH]1 Amb17142855 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.12 CCNCc1ccc[s]1 Amb22283900 [1,0,0,0,0,0|1,1,1]=4 177 B9R1.12 CCNCc1ccco1 Amb1137312 [1,0,0,0,0,0|1,0,1]=3 178 B9R1.12 CCNCc1cccs1 Amb1088620 [1,0,0,0,0,0|1,1,1]=4 179 B9R1.12 CCOCc1[nH]cc[n]1 Amb22831569 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.12 CCOCc1[n]cc[s]1 Amb24407886 [1,0,0,0,0,0|1,1,1]=4 181 B9R1.12 CCOCc1c[s]cc1 Amb24708417 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 CCOCc1ccc[nH]1 Amb25190159 [1,0,0,0,0,0|1,0,1]=3 183 B9R1.12 CCOCc1ccc[s]1 Amb25217999 [1,0,0,0,0,0|0,1,1]=3 184 B9R1.12 CCOCc1ccco1 Amb22234292 [1,0,0,0,0,0|0,0,1]=2 185 B9R1.12 CCSCc1ccc[s]1 Amb24478825 [1,0,0,0,0,0|0,2,1]=4 186 B9R1.12 CN/N=C/c1ccco1 Amb17804206 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.12 CNCCC=1CC=CC1 Amb25755843 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.12 CNCCc1[n]cco1 Amb18222315 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.12 CNCCc1ccc[s]1 Amb21959880 [1,0,0,0,0,0|2,1,0]=4 190 B9R1.12 CNCCc1ccco1 Amb17399803 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.12 COCCc1ccc[s]1 Amb25147094 [1,0,0,0,0,0|2,1,0]=4 192 B9R1.12 COCCc1ccco1 Amb25147016 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.12 COCOc1ccco1 Amb25312610 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.12 CONCc1c[n]co1 Amb24636654 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.12 CONCc1ccc[nH]1 Amb24364458 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.12 CONCc1ccc[s]1 Amb25347354 [1,0,0,0,0,0|2,1,0]=4 197 B9R1.12 CONCc1ccco1 Amb25760018 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.12 CO\C=C\c1ccco1 Amb25208464 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.12 C\C=C\C[n]1cccc1 Amb24375826 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.12 C\C=C\Cc1c[nH]cc1 Amb25146026 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.12 C\C=C\Cc1ccc[nH]1 Amb25243730 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.12 C\C=C\Sc1ccc[s]1 Amb24639360 [1,0,0,0,0,0|2,1,0]=4 203 B9R1.12 ClCSCc1ccco1 Amb25265779 [1,0,0,0,0,0|1,1,1]=4 204 B9R1.12 N#CCCc1ccco1 Amb20623925 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.12 NOCCc1ccco1 Amb25208726 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.12 O=C=NCc1cc[n]o1 Amb18061876 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.12 O=CC#Cc1ccco1 Amb24546607 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.12 O=CCC[n]1cccc1 Amb24062842 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.12 O=CCCc1[nH]cc[n]1 Amb25076704 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.12 O=CCCc1[n]cco1 Amb24511583 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.12 O=CCCc1c[nH]c[n]1 Amb18642200 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.12 O=CCCc1c[n]c[s]1 Amb25705083 [1,0,0,0,0,0|2,1,0]=4 213 B9R1.12 O=CCCc1c[s]c[n]1 Amb24099812 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.12 O=CCCc1ccc[nH]1 Amb24760290 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.12 O=CCCc1ccco1 Amb17081672 [1,0,0,0,0,0|1,0,0]=2 216 B9R1.12 O=CCCc1cccs1 Amb17081673 [1,0,0,0,0,0|1,1,0]=3 217 B9R1.12 O=CCCc1coc[n]1 Amb24559446 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.12 O=CCSc1[n]cco1 Amb24599824 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.12 O=CCSc1cccs1 Amb17082929 [1,0,0,0,0,0|2,1,0]=4 220 B9R1.12 O=CNCc1[nH]cc[n]1 Amb24643553 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.12 O=CNCc1[n]cc[s]1 Amb25295210 [1,0,0,0,0,0|2,1,0]=4 222 B9R1.12 O=CNCc1c[nH]c[n]1 Amb24478692 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.12 O=CNCc1c[nH]cc1 Amb24643630 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.12 O=CNCc1c[s]c[n]1 Amb25146324 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.12 O=C\C=C\c1cc[n]o1 Amb25325051 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.12 O=C\C=C\c1ccc[nH]1 Amb18641995 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.12 O=C\C=C\c1cccs1 Amb17334164 [1,0,0,0,0,0|1,1,1]=4 228 B9R1.12 O=NSCc1ccco1 Amb25806081 [1,0,0,0,0,0|1,1,0]=3 229 B9R1.12 S=COCc1ccco1 Amb16232453 [1,0,0,0,0,0|0,1,0]=2 230 B9R1.12 SCCCc1ccco1 Amb17399874 [1,0,0,0,0,0|1,1,1]=4 231 B9R1.12 [C-]#[N+]CCc1ccco1 Amb24743086 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.12 [N-]=[N+]=NCc1ccco1 Amb25791515 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.25 BrCC(=O)NCc1ccco1 Amb2221075 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.25 BrCC(=O)NCc1cccs1 Amb2089070 [0,1,0,0,0,0|1,1,0]=3 235 B11R1.25 BrCC(=O)NCc1nccs1 Amb17326612 [0,1,0,0,0,0|2,1,0]=4 236 B11R1.25 C#CC(=O)CCc1ccco1 Amb25688728 [0,1,0,0,0,0|1,0,1]=3 237 B11R1.25 C#CC(=O)NCc1ccc[s]1 Amb25048253 [0,1,0,0,0,0|1,1,1]=4 238 B11R1.25 C#CC(=O)NCc1ccco1 Amb25056562 [0,1,0,0,0,0|1,0,1]=3 239 B11R1.25 C=CC(=O)CCc1ccc[s]1 Amb25382321 [0,1,0,0,0,0|1,1,1]=4 240 B11R1.25 C=CC(=O)NCc1cc[n]o1 Amb25219798 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.25 CC(C#N)OCc1ccc[s]1 Amb18182647 [0,1,0,0,0,0|1,1,1]=4 242 B11R1.25 CC(C#N)OCc1ccco1 Amb18181686 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.25 CC(C#N)SCc1ccco1 Amb18805648 [0,1,0,0,0,0|1,1,1]=4 244 B11R1.25 CC(C=C)NCc1ccco1 Amb24755964 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.25 CC(C=O)\C=C\c1ccco1 Amb18125137 [0,1,0,0,0,0|1,0,2]=4 246 B11R1.25 CC(CCc1ccc[s]1)C=O Amb24766704 [0,1,0,0,0,0|1,1,1]=4 247 B11R1.25 CC(CCc1ccco1)NN Amb18125790 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.25 CC(CN)NCc1ccco1 Amb25381788 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.25 CC(CN)OCc1ccc[s]1 Amb18312428 [0,1,0,0,0,0|1,1,1]=4 250 B11R1.25 CC(CN)OCc1ccco1 Amb18312422 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.25 CC(CN)SCc1ccco1 Amb19024830 [0,1,0,0,0,0|1,1,1]=4 252 B11R1.25 CCC(=N)NCc1ccco1 Amb25140561 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.25 CCC(=O)/C=C/c1cccs1 Amb17864533 [0,1,0,0,0,0|1,1,1]=4 254 B11R1.25 CCC(=O)CCc1c[n]c[s]1 Amb25379904 [0,1,0,0,0,0|2,1,0]=4 255 B11R1.25 CCC(=O)CCc1cc[nH]c1 Amb18224290 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.25 CCC(=O)CCc1cc[n][s]1 Amb24764475 [0,1,0,0,0,0|2,1,0]=4 257 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.25 CCC(=O)CSc1[n]cco1 Amb24751271 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.25 CCC(=O)CSc1ccc[s]1 Amb19075945 [0,1,0,0,0,0|2,1,0]=4 260 B11R1.25 CCC(=O)NCc1[nH]cc[n]1 Amb25189274 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.25 CCC(=O)NCc1c[nH]c[n]1 Amb25047491 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.25 CCC(=O)NCc1c[s]c[n]1 Amb25838093 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.25 CCC(=O)NCc1cc[nH][n]1 Amb18799454 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.25 CCC(=O)NCc1cc[n]o1 Amb25728135 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.25 CCC(=O)NCc1ccc[nH]1 Amb24613239 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.25 CCC(=O)NCc1coc[n]1 Amb24704025 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.25 CCC(=O)NCc1cocc1 Amb25294797 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.25 CCC(=O)NCc1cscc1 Amb10945324 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.25 CCC(=O)OCc1c[nH][n]c1 Amb24755844 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.25 CCC(=O)OCc1c[n][n][s]1 Amb24755846 [0,1,0,0,0,0|2,1,0]=4 271 B11R1.25 CCC(=O)OCc1c[n]c[s]1 Amb24755845 [0,1,0,0,0,0|1,1,0]=3 272 B11R1.25 CCC(=O)OCc1c[n]oc1 Amb24755847 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.25 CCC(=O)OCc1c[s][n][n]1 Amb24755849 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.25 CCC(=O)OCc1c[s]c[n]1 Amb24755848 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.25 CCC(=O)OCc1c[s]cc1 Amb24755843 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.25 CCC(=O)OCc1cc[n]o1 Amb24755840 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.25 CCC(=O)OCc1ccc[s]1 Amb24755816 [0,1,0,0,0,0|0,1,0]=2 278 B11R1.25 CCC(=O)OCc1ccco1 Amb22363125 [0,1,0,0,0,0|0,0,0]=1 279 B11R1.25 CCC(=O)OCc1cco[n]1 Amb24755842 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.25 CCC(=O)OCc1cocc1 Amb24755841 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.25 CCC(=O)\C=C\c1ccc[nH]1 Amb22339563 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.25 CCC(C)NCc1ccco1 Amb19890326 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.25 CCC(N)CCc1ccco1 Amb19035953 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.25 CCC(O)CCc1ccco1 Amb17939197 [0,1,0,0,0,0|1,0,2]=4 286 B11R1.25 CCS(=O)CCc1ccc[s]1 Amb25382552 [0,1,0,0,0,0|2,1,0]=4 287 B11R1.25 CNC(=N)NCc1cc[n]o1 Amb25229873 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.25 CNC(=N)NCc1ccc[s]1 Amb18183565 [0,1,0,0,0,0|2,1,0]=4 289 B11R1.25 CNC(=N)NCc1ccco1 Amb18181789 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.25 CNC(=O)CC[n]1cccc1 Amb18182791 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.25 CNC(=O)CCc1[nH]cc[n]1 Amb24677082 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.25 CNC(=O)CCc1[n]cc[s]1 Amb24448613 [0,1,0,0,0,0|2,1,0]=4 293 B11R1.25 CNC(=O)CCc1c[n]c[s]1 Amb24612881 [0,1,0,0,0,0|2,1,0]=4 294 B11R1.25 CNC(=O)CSc1ccc[s]1 Amb25727940 [0,1,0,0,0,0|2,1,0]=4 295 B11R1.25 CNC(=O)NCc1[nH]cc[n]1 Amb25150254 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.25 CNC(=O)NCc1c[s]c[n]1 Amb24412897 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.25 CNC(=O)NCc1cc[nH][n]1 Amb25803017 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.25 CNC(=O)NCc1cc[nH]c1 Amb25315472 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 CNC(=O)NCc1cc[n]o1 Amb25682017 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.25 CNC(=O)NCc1cc[s]c1 Amb25334131 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.25 CNC(=O)NCc1ccco1 Amb2132772 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.25 CNC(=O)NCc1cccs1 Amb2132771 [0,1,0,0,0,0|1,1,0]=3 303 B11R1.25 CNC(=S)\C=C\c1ccco1 Amb24399981 [0,1,0,0,0,0|1,1,1]=4 304 B11R1.25 CNC(CCc1ccco1)C Amb1946260 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.25 COC(=N)CCc1ccc[s]1 Amb18563908 [0,1,0,0,0,0|2,1,0]=4 306 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.25 COC(=O)CC[n]1cccc1 Amb18799453 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.25 COC(=O)CCc1cc[n][nH]1 Amb24766211 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.25 COC(=O)CCc1cc[n]o1 Amb24762935 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.25 COC(=O)CCc1ccc[nH]1 Amb17617751 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.25 COC(=O)CCc1cnc[nH]1 Amb17617502 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.25 COC(=O)CCc1nccs1 Amb17334847 [0,1,0,0,0,0|2,1,0]=4 313 B11R1.25 COC(=O)CSc1[n]cco1 Amb24751292 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.25 COC(=O)NCc1[n]cc[s]1 Amb24531348 [0,1,0,0,0,0|2,1,0]=4 315 B11R1.25 COC(=O)NCc1c[n]c[s]1 Amb24095829 [0,1,0,0,0,0|2,1,0]=4 316 B11R1.25 COC(=O)NCc1cc[nH][n]1 Amb18177386 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.25 COC(=O)NCc1cccs1 Amb17793916 [0,1,0,0,0,0|1,1,0]=3 318 B11R1.25 COC(=O)NCc1cco[n]1 Amb25741367 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.25 COC(=O)NCc1cscc1 Amb10945325 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.25 COC(=O)\C=C/c1cccs1 Amb10069647 [0,1,0,0,0,0|1,1,1]=4 321 B11R1.25 COC(=O)\C=C\c1c[n]co1 Amb24566780 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.25 COC(=O)\C=C\c1ccc[nH]1 Amb22728583 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.25 CSC(=N)NCc1ccco1 Amb25242629 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.25 CSC(=S)NCc1cccs1 Amb2445153 [0,1,0,0,0,0|1,2,0]=4 325 B11R1.25 C[C@@H](CN)NCc1ccco1 Amb24761616 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.25 C[C@@H](CO)NCc1ccco1 Amb24755957 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.25 C[C@H](C=O)\C=C\c1ccco1 Amb25370771 [0,1,0,0,0,0|1,0,2]=4 328 B11R1.25 C[C@H](CN)NCc1ccco1 Amb24761611 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.25 C\C(\CCc1ccco1)=N/O Amb19888637 [0,1,0,0,0,0|1,0,1]=3 330 B11R1.25 C\C(\CN)=C\Cc1ccc[s]1 Amb25149333 [0,1,0,0,0,0|2,1,0]=4 331 B11R1.25 C\C(\CO)=C/Cc1ccco1 Amb24579386 [0,1,0,0,0,0|1,0,1]=3 332 B11R1.25 C\C(\CO)=C\Cc1ccco1 Amb25322406 [0,1,0,0,0,0|1,0,1]=3 333 B11R1.25 C\C(\NCc1ccco1)=N\C Amb25096344 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.25 ClCC(=O)CCc1cccs1 Amb17139224 [0,1,0,0,0,0|1,1,0]=3 335 B11R1.25 ClCC(=O)NCc1cccs1 Amb1149817 [0,1,0,0,0,0|1,1,0]=3 336 B11R1.25 ClCC(=O)NCc1nccs1 Amb17332892 [0,1,0,0,0,0|2,1,0]=4 337 B11R1.25 N#CC(NCc1ccco1)C Amb17044859 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.25 NC(CO)CCc1ccco1 Amb18065439 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.25 NC(NCc1ccco1)=NO Amb18799568 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.25 NCC(=O)CCc1ccc[s]1 Amb18563911 [0,1,0,0,0,0|1,1,0]=3 341 B11R1.25 NCC(=O)NCc1[nH]cc[n]1 Amb24590604 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.25 NCC(=O)NCc1[n]cc[s]1 Amb18974923 [0,1,0,0,0,0|2,1,0]=4 343 B11R1.25 NCC(=O)NCc1c[nH]cc1 Amb18893417 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.25 NCC(=O)NCc1c[n]c[s]1 Amb21862172 [0,1,0,0,0,0|2,1,0]=4 345 B11R1.25 NCC(=O)NCc1c[s]cc1 Amb18198856 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 NCC(=O)NCc1cc[nH][n]1 Amb18974980 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.25 NCC(=O)NCc1ccco1 Amb10609039 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.25 NCC(=O)NCc1cco[n]1 Amb18200484 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.25 NCC(=O)NCc1coc[n]1 Amb24629460 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.25 NCC(=O)OCc1ccc[s]1 Amb19017823 [0,1,0,0,0,0|0,1,0]=2 351 B11R1.25 NCC(O)CCc1ccco1 Amb18200466 [0,1,0,0,0,0|1,0,2]=4 352 B11R1.25 NNC(=O)NCc1cc[n]o1 Amb25187447 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 NNC(=O)\C=C\c1ccco1 Amb10571401 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.25 NNC(=S)NCc1ccco1 Amb1152490 [0,1,0,0,0,0|2,1,0]=4 355 B11R1.25 N\C(=N\N)\SCc1ccco1 Amb25309238 [0,1,0,0,0,0|2,1,0]=4 356 B11R1.25 N\C(\NCc1ccco1)=N\N Amb25315878 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.25 O=C(CBr)CCc1ccco1 Amb25379922 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.25 O=C(CBr)NCc1c[nH]c[n]1 Amb25827945 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.25 O=C(CBr)NCc1c[n]c[s]1 Amb24431592 [0,1,0,0,0,0|2,1,0]=4 360 B11R1.25 O=C(CBr)NCc1cc[nH][n]1 Amb25051621 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.25 O=C(CBr)NCc1ccoc1 Amb24488258 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.25 O=C(CBr)\C=C\c1ccco1 Amb24557173 [0,1,0,0,0,0|1,0,1]=3 363 B11R1.25 O=C(CCl)NCc1c[n]c[s]1 Amb21862163 [0,1,0,0,0,0|2,1,0]=4 364 B11R1.25 O=C(CCl)NCc1c[s]c[n]1 Amb24438694 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.25 O=C(CCl)NCc1cc[nH][n]1 Amb18180420 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.25 O=C(CCl)NCc1cc[s]c1 Amb21862084 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.25 O=C(CCl)NCc1cco[n]1 Amb25771311 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.25 O=C(CCl)NCc1ccoc1 Amb25738819 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.25 O=C(CCl)OCc1ccco1 Amb22347137 [0,1,0,0,0,0|0,0,0]=1 370 B11R1.25 O=C(CCl)\C=C\c1ccc[nH]1 Amb24485870 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.25 O=C(CF)\C=C\c1ccco1 Amb25205838 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.25 O=C(CI)NCc1ccc[s]1 Amb25151270 [0,1,0,0,0,0|1,1,0]=3 373 B11R1.25 O=C(CS)NCc1cc[n]o1 Amb25151926 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.25 O=C(CS)NCc1cco[n]1 Amb24575149 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.25 O=C(CS)NCc1ccoc1 Amb25360348 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.25 OC(CCl)CCc1ccco1 Amb25380315 [0,1,0,0,0,0|1,0,2]=4 377 B11R1.25 OCC(=O)CCc1ccc[s]1 Amb18563930 [0,1,0,0,0,0|1,1,0]=3 378 B11R1.25 OCC(=O)CCc1ccco1 Amb18065408 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.25 OCC(=O)NCc1[n]cc[s]1 Amb25763388 [0,1,0,0,0,0|2,1,0]=4 380 B11R1.25 OCC(=O)NCc1c[n]c[s]1 Amb24593723 [0,1,0,0,0,0|2,1,0]=4 381 B11R1.25 OCC(=O)NCc1c[s]c[n]1 Amb25266249 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.25 OCC(=O)NCc1c[s]cc1 Amb24483988 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.25 OCC(=O)NCc1cccs1 Amb1110201 [0,1,0,0,0,0|1,1,0]=3 384 B11R1.25 OCC(=O)NCc1cocc1 Amb25163285 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.25 OCC(=O)OCC1CC=CC1 Amb25382632 [0,1,0,0,0,0|1,0,2]=4 386 B11R1.25 OCC(=O)OCC=1CCCC1 Amb25382630 [0,1,0,0,0,0|1,0,2]=4 387 B11R1.25 OCC(=O)\C=C\c1ccco1 Amb25728855 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.25 OCC(O)CCc1ccco1 Amb24764800 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.25 OC[C@@H](O)CCc1ccco1 Amb24766212 [0,1,0,0,0,0|1,0,2]=4 390 B11R1.35 C=C(Cc1ccc[s]1)C(O)=O Amb24558176 [0,1,0,0,0,0|2,1,0]=4 391 B11R1.35 CC(=C)C(=O)Cc1ccc[s]1 Amb25801387 [0,1,0,0,0,0|2,1,0]=4 392 B11R1.35 CC(=C)C(=O)Cc1ccco1 Amb24486373 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.35 CC(=C)C(O)Cc1ccc[s]1 Amb24718786 [0,1,0,0,0,0|2,1,0]=4 394 B11R1.35 CC(=N)N(C)Cc1ccc[s]1 Amb24626026 [0,1,0,0,0,0|2,1,0]=4 395 B11R1.35 CC(=O)C(=O)Cc1ccc[s]1 Amb24456858 [0,1,0,0,0,0|1,1,0]=3 396 B11R1.35 CC(=O)C(=O)Cc1ccco1 Amb25177671 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.35 CC(=O)C(C)Cc1c[nH]cc1 Amb18862485 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.35 CC(=O)C(C)Cc1c[s]cc1 Amb18793197 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.35 CC(=O)C(C)Cc1ccc[s]1 Amb18180158 [0,1,0,0,0,0|1,1,0]=3 400 B11R1.35 CC(=O)C(C)Sc1[n]cco1 Amb25135800 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.35 CC(=O)C(Cc1cccs1)Br Amb17507811 [0,1,0,0,0,0|1,1,0]=3 402 B11R1.35 CC(=O)C(Cc1cccs1)Cl Amb17507765 [0,1,0,0,0,0|1,1,0]=3 403 B11R1.35 CC(=O)C(N)Cc1c[nH]c[n]1 Amb18125568 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.35 CC(=O)N(C)Cc1[n]c[n]o1 Amb25189653 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.35 CC(=O)N(C)Cc1[n]cc[s]1 Amb24718209 [0,1,0,0,0,0|2,1,0]=4 406 B11R1.35 CC(=O)N(C)Cc1cc[nH][n]1 Amb24408036 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.35 CC(=O)N(C)Cc1ccc[s]1 Amb25140058 [0,1,0,0,0,0|1,1,0]=3 408 B11R1.35 CC(=O)[C@H](C)Cc1ccco1 Amb25334926 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.35 CC(=O)\C(=C\c1ccc[nH]1)\C Amb17593713 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.35 CC(=O)\C(\O)=C\c1ccco1 Amb25804329 [0,1,0,0,0,0|1,0,1]=3 411 B11R1.35 CC(C)C(N)Cc1ccco1 Amb18200986 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.35 CC(C)[C@@H](O)Cc1ccco1 Amb24448071 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.35 CC(Cc1cc[n]o1)C(O)=O Amb25241848 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.35 CC(Cc1ccco1)C(C)=O Amb17939894 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.35 CC(Cc1ccco1)C(C)N Amb19001340 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.35 CC(Cc1ccco1)C(C)O Amb18787510 [0,1,0,0,0,0|1,0,2]=4 417 B11R1.35 CC(Nc1ccco1)C(O)=O Amb25027900 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.35 CN(C)C(=O)Cc1ccco1 Amb25205570 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.35 CN(Cc1ccc[nH]1)C(N)=O Amb25307328 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.35 CN(Cc1ccc[s]1)C(=O)Cl Amb25228943 [0,1,0,0,0,0|2,1,0]=4 421 B11R1.35 CN(Cc1ccco1)C(N)=N Amb18181784 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.35 C\C(=C/c1ccc[s]1)\C(C)=O Amb24415766 [0,1,0,0,0,0|1,1,1]=4 423 B11R1.35 C\C(=C/c1ccco1)\C(C)=O Amb24641486 [0,1,0,0,0,0|1,0,1]=3 424 B11R1.35 C\C(=C\c1ccc[s]1)\C(C)=O Amb25807425 [0,1,0,0,0,0|1,1,1]=4 425 B11R1.35 C\C(=C\c1ccco1)\C(N)=O Amb25233447 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.35 NC(=O)C(N)Cc1ccc[s]1 Amb24487730 [0,1,0,0,0,0|2,1,0]=4 427 B11R1.35 NC(=O)N(O)Cc1ccc[nH]1 Amb25685010 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.35 NC(=O)N(O)Cc1ccc[s]1 Amb25268194 [0,1,0,0,0,0|2,1,0]=4 429 B11R1.35 NC(=O)N(O)Cc1ccco1 Amb25774514 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.35 NC(Cc1[n]cco1)C(O)=O Amb18200255 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.35 NC(Cc1ccc[nH]1)C(O)=O Amb18302277 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.35 N[C@@H](Cc1ccc[nH]1)C(O)=O Amb22750710 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.35 N[C@@H](Cc1ccc[s]1)C(O)=O Amb22747410 [0,1,0,0,0,0|2,1,0]=4 434 B11R1.35 N[C@H](Cc1ccc[nH]1)C(O)=O Amb24082124 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.35 OC(=O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.35 OC(=O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,0,0|2,1,0]=4 437 B11R1.35 OC(=O)C(=S)Cc1ccc[s]1 Amb22472986 [0,1,0,0,0,0|2,1,0]=4 438 B11R1.35 OC(=O)C(Cc1ccco1)O Amb17138461 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.35 OC(=O)C(Cc1cccs1)O Amb17138686 [0,1,0,0,0,0|2,1,0]=4 440 B11R1.35 OC(=O)C(F)Cc1ccco1 Amb25042990 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.35 OC(=O)C(S)Cc1ccc[s]1 Amb18968268 [0,1,0,0,0,0|2,1,0]=4 442 B11R1.35 OC(=O)C(S)Cc1ccco1 Amb18968270 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.35 OC(=O)[C@@H](Cc1ccco1)N Amb10068215 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.35 OC(=O)[C@@H](Cc1cccs1)C Amb10844000 [0,1,0,0,0,0|2,1,0]=4 445 B11R1.35 OC(=O)[C@@H](Cc1cccs1)N Amb10068211 [0,1,0,0,0,0|2,1,0]=4 446 B11R1.35 OC(=O)[C@@H](O)Cc1ccc[s]1 Amb25074591 [0,1,0,0,0,0|2,1,0]=4 447 B11R1.35 OC(=O)[C@H](Cc1ccco1)N Amb10068214 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.35 OC(=O)[C@H](Cc1cccs1)C Amb10844001 [0,1,0,0,0,0|2,1,0]=4 449 B11R1.35 OC(=O)[C@H](Cc1cccs1)N Amb10068210 [0,1,0,0,0,0|2,1,0]=4 450 B11R1.35 OC(=O)[C@H](F)Cc1ccc[s]1 Amb25724921 [0,1,0,0,0,0|2,1,0]=4 451 B11R1.35 OC(=O)\C(\Br)=C\c1ccco1 Amb25827160 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.75 CC(=N)NCc1cc(Br)c[s]1 Amb25099042 [0,1,0,0,0,0|2,1,0]=4 453 B11R1.75 CC(=N)NCc1ccc(Br)[s]1 Amb25345947 [0,1,0,0,0,0|2,1,0]=4 454 B11R1.75 CC(=N)NCc1ccc(Cl)[s]1 Amb25333064 [0,1,0,0,0,0|2,1,0]=4 455 B11R1.75 CC(=O)C#Cc1ccc(Br)o1 Amb24743861 [0,1,0,0,0,0|1,0,1]=3 456 B11R1.75 CC(=O)CCC1=CC(C)CO1 Amb25028193 [0,1,0,0,0,0|1,0,2]=4 457 B11R1.75 CC(=O)CCC1=CCC(=O)O1 Amb25059677 [0,1,0,0,0,0|1,0,1]=3 458 B11R1.75 CC(=O)CCC1=CCC(C)O1 Amb24736236 [0,1,0,0,0,0|1,0,2]=4 459 B11R1.75 CC(=O)CCC1C=CC(=O)O1 Amb25143549 [0,1,0,0,0,0|1,0,1]=3 460 B11R1.75 CC(=O)CC[n]1cc(Br)c[n]1 Amb24439922 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.75 CC(=O)CC[n]1cc(Cl)c[n]1 Amb18794736 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.75 CC(=O)CCc1[n][n]c(N)o1 Amb18125832 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.75 CC(=O)CCc1c[n](C)cc1 Amb18224264 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.75 CC(=O)CCc1c[s]c(Cl)c1 Amb24523155 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.75 CC(=O)CCc1cc(Br)c[s]1 Amb24533193 [0,1,0,0,0,0|1,1,0]=3 466 B11R1.75 CC(=O)CCc1cc(N)[n][nH]1 Amb24696928 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.75 CC(=O)CCc1cc(O)o[n]1 Amb25268451 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.75 CC(=O)CCc1cc[n](C)[n]1 Amb18201311 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.75 CC(=O)CCc1cnc(s1)Cl Amb2436182 [0,1,0,0,0,0|2,1,0]=4 471 B11R1.75 CC(=O)CCc1coc(Br)c1 Amb24613873 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.75 CC(=O)CCc1scc(n1)C Amb17334776 [0,1,0,0,0,0|2,1,0]=4 473 B11R1.75 CC(=O)C\C=C/1\CC(=O)C=C1 Amb25282699 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.75 CC(=O)C\C=C\1/CC(=O)C=C1 Amb24422363 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.75 CC(=O)NCC1=CNC(=O)N1 Amb25240726 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.75 CC(=O)NCC1=CSC(=O)N1 Amb24476075 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.75 CC(=O)NCc1[n][n]c(N)o1 Amb25685328 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.75 CC(=O)NCc1c[n]c(Br)[s]1 Amb25667849 [0,1,0,0,0,0|2,1,0]=4 479 B11R1.75 CC(=O)NCc1cc(=O)[nH][nH]1 Amb24072972 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.75 CC(=O)NCc1cc(=O)[nH]o1 Amb24072943 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.75 CC(=O)NCc1cc(Br)[n]o1 Amb23449501 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.75 CC(=O)NCc1cc(Br)c[s]1 Amb25059049 [0,1,0,0,0,0|1,1,0]=3 483 B11R1.75 CC(=O)NCc1ccc(s1)Br Amb14004357 [0,1,0,0,0,0|1,1,0]=3 484 B11R1.75 CC(=O)NCc1coc(Br)c1 Amb25734959 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.75 CC(=O)NCc1onc(n1)C Amb13847175 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.75 CC(=O)OCC1C=CC(=O)O1 Amb24424037 [0,1,0,0,0,0|0,0,1]=2 487 B11R1.75 CC(=O)OCC=1NNC(=O)N1 Amb25687689 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 Amb24709308 [0,1,0,0,0,0|0,0,1]=2 489 B11R1.75 CC(=O)OC[C@@H]1CNC(=O)O1 Amb24533176 [0,1,0,0,0,0|1,0,2]=4 490 B11R1.75 CC(=O)OC[n]1cc(N)[n]c1 Amb25111169 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.75 CC(=O)OCc1[n][n]c(N)[s]1 Amb25028112 [0,1,0,0,0,0|2,1,0]=4 492 B11R1.75 CC(=O)OCc1[n]cc(Br)[s]1 Amb25188789 [0,1,0,0,0,0|1,1,0]=3 493 B11R1.75 CC(=O)OCc1c[s]c(Br)c1 Amb25357244 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.75 CC(=O)OCc1cc[n](C)[n]1 Amb25741261 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.75 CC(=O)OCc1cnc(s1)Cl Amb2435207 [0,1,0,0,0,0|1,1,0]=3 496 B11R1.75 CC(=O)OCc1cnn(c1)C Amb13952185 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.75 CC(=O)OCc1nnc(o1)C Amb13952452 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.75 CC(=O)SCc1cc(cs1)Br Amb13890443 [0,1,0,0,0,0|0,2,0]=3 499 B11R1.75 CC(=O)\C=C\c1ccc(Br)[s]1 Amb25138078 [0,1,0,0,0,0|1,1,1]=4 500 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb25830508 [0,1,0,0,0,0|1,0,1]=3 501 B11R1.75 CC(=O)\C=C\c1ccc(Cl)[s]1 Amb25830510 [0,1,0,0,0,0|1,1,1]=4 502 B11R1.75 CC(Br)CCc1ccc(Br)o1 Amb24690255 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.75 CC(C)NCc1cc(Br)co1 Amb25734061 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.75 CC(C)NCc1ccc(Cl)o1 Amb18969165 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.75 CC(C)NCc1ccc(N)o1 Amb18107293 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.75 CC(C)OCc1cc(Br)c[s]1 Amb25094868 [0,1,0,0,0,0|1,1,1]=4 507 B11R1.75 CC(C)OCc1ccc(Br)[s]1 Amb24476571 [0,1,0,0,0,0|1,1,1]=4 508 B11R1.75 CC(Cl)CCc1ccc(Br)o1 Amb24523185 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.75 CC(N)CCc1ccc(Br)o1 Amb24619887 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.75 CC(NCc1ccc(o1)C)C Amb10609352 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.75 CC(O)CCc1ccc(Br)o1 Amb25094102 [0,1,0,0,0,0|1,0,2]=4 512 B11R1.75 CN(C)NCc1ccc(Br)o1 Amb25107180 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.75 CS(=O)NCc1cc(Br)c[s]1 Amb25177200 [0,1,0,0,0,0|2,1,0]=4 514 B11R1.75 CS(=O)NCc1ccc(Br)[s]1 Amb25177251 [0,1,0,0,0,0|2,1,0]=4 515 B11R1.75 Cc1[n][nH]c(COC(C)=O)[n]1 Amb25370136 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.75 Cc1[n][n]c(CNC(C)=O)o1 Amb25796824 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.75 Cc1[n][n]c(COC(C)=O)[s]1 Amb25829603 [0,1,0,0,0,0|2,1,0]=4 518 B11R1.75 Cc1[n]c(CCC(C)=O)c[s]1 Amb18062040 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.75 Cc1[n]c(CNC(C)=O)c[s]1 Amb25731214 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.75 Cc1[n]c(COC(C)=O)c[s]1 Amb22749065 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.75 Cc1[n]cc(CCC(C)=O)[s]1 Amb25084411 [0,1,0,0,0,0|2,1,0]=4 522 B11R1.75 Cc1[n]cc(CCC(O)=O)o1 Amb18830921 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.75 Cc1[n]cc(CNC(C)=O)[s]1 Amb25189113 [0,1,0,0,0,0|2,1,0]=4 524 B11R1.75 Cc1[n]cc(CNC(C)=O)o1 Amb24764072 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.75 Cc1[n]oc(COC(C)=O)[n]1 Amb19651315 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.75 Cc1c[n][n](CCC(C)=O)c1 Amb18179419 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.75 Cc1c[n]c(CCC(C)=O)o1 Amb18201112 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.75 Cc1c[n]c(CNC(C)=N)o1 Amb24725705 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.75 Cc1c[n]c(COC(C)=O)o1 Amb22284643 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.75 Cc1c[s]c(CNC(C)=N)c1 Amb25099962 [0,1,0,0,0,0|2,1,0]=4 531 B11R1.75 Cc1c[s]c(COC(C)=O)[n]1 Amb25145419 [0,1,0,0,0,0|1,1,0]=3 532 B11R1.75 Cc1cc(CCC(C)=O)[n]o1 Amb18201114 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.75 Cc1cc(CCC(C)=O)c[s]1 Amb25328219 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.75 Cc1cc(CCC(N)=O)o[n]1 Amb25808092 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.75 Cc1cc(CCC(O)=O)[nH]c1 Amb24743692 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.75 Cc1cc(CCC(O)=O)[s]c1 Amb22886570 [0,1,0,0,0,0|2,1,0]=4 537 B11R1.75 Cc1cc(CCC(O)=O)o[n]1 Amb18200535 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.75 Cc1cc(CNC(C)=O)c[s]1 Amb24588580 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.75 Cc1cc(CNC(C)=O)o[n]1 Amb24627613 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.75 Cc1cc(CNC(N)=O)o[n]1 Amb18182965 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.75 Cc1cc(COC(C)=O)[n][s]1 Amb24749272 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.75 Cc1cc(COC(C)=O)[n]o1 Amb25687728 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.75 Cc1cc(COC(C)=O)co1 Amb25680453 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.75 Cc1cc(NNC(C)=O)o[n]1 Amb24072212 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.75 Cc1ccc(C#CC(O)=O)o1 Amb25361971 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.75 Cc1ccc(CCC(=O)Cl)[nH]1 Amb24509779 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.75 Cc1ccc(CCC(C)N)o1 Amb18644581 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.75 Cc1ccc(CNC(C)=N)[s]1 Amb24621421 [0,1,0,0,0,0|2,1,0]=4 549 B11R1.75 Cc1ccc(CNC(C)=N)o1 Amb24477664 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.75 Cc1ccc(CNC(N)=N)o1 Amb18799456 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.75 Cc1ccc(CNC(N)=N)o1 Amb22828138 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.75 Cc1ccc(CNC(N)=O)[s]1 Amb18183591 [0,1,0,0,0,0|2,1,0]=4 553 B11R1.75 Cc1ccc(CNC(N)=O)o1 Amb18182902 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.75 Cc1ccc(CNC(N)=S)o1 Amb18185640 [0,1,0,0,0,0|2,1,0]=4 555 B11R1.75 Cc1ccc(CNN(C)C)o1 Amb25774823 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.75 Cc1ccc(COC(C)=O)[s]1 Amb25788560 [0,1,0,0,0,0|0,1,0]=2 557 B11R1.75 Cc1ccc(COC(C)=O)o1 Amb25072722 [0,1,0,0,0,0|0,0,0]=1 558 B11R1.75 Cc1ccc(CSC(N)=N)o1 Amb25305034 [0,1,0,0,0,0|2,1,0]=4 559 B11R1.75 Cc1ccc([nH]1)CCC(=O)O Amb17593829 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.75 Cc1ccc(o1)\C=C\C(=O)Cl Amb16230249 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.75 Cc1cnc(o1)CCC(=O)O Amb17087659 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.75 Cc1coc(CCC(O)=O)[n]1 Amb18200527 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.75 Cc1coc(COC(C)=S)c1 Amb25121246 [0,1,0,0,0,0|0,1,0]=2 564 B11R1.75 NC(=N)NCc1ccc(Br)o1 Amb25729061 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.75 NC(=N)NCc1ccc(Cl)o1 Amb25051870 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.75 NC(=N)NCc1ccc(Cl)o1 Amb25279632 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.75 NC(=O)CCc1cc(Br)[n]o1 Amb19650950 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.75 NC(=O)CCc1cc(no1)Cl Amb19134366 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.75 NC(=O)CCc1ccc(Cl)[s]1 Amb20638603 [0,1,0,0,0,0|2,1,0]=4 570 B11R1.75 NC(=O)NCc1ccc(Br)[s]1 Amb25333063 [0,1,0,0,0,0|2,1,0]=4 571 B11R1.75 NC(=O)NCc1ccc(Cl)o1 Amb24485019 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.75 NC(=O)\C=C\c1cc(Br)co1 Amb25123308 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.75 NC(=O)\C=C\c1ccc(I)o1 Amb25051573 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.75 Nc1ccc(CCC(O)=O)[s]1 Amb18825427 [0,1,0,0,0,0|2,1,0]=4 575 B11R1.75 OC(=O)C#Cc1ccc(Cl)o1 Amb25320978 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.75 OC(=O)CCC1=CC(=O)NO1 Amb18830676 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.75 OC(=O)CCc1cc(Cl)c[s]1 Amb19374564 [0,1,0,0,0,0|2,1,0]=4 578 B11R1.75 OC(=O)CCc1cc(Cl)co1 Amb23537476 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.75 OC(=O)CCc1cc(no1)Br Amb16186748 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.75 OC(=O)CCc1cc(no1)Cl Amb1063482 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.75 OC(=O)CCc1ccc(S)o1 Amb24519112 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.75 OC(=O)\C=C\c1cc(Br)co1 Amb24532986 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.75 OC(=O)\C=C\c1cc(Cl)co1 Amb18126977 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.75 OC(=O)\C=C\c1ccc(o1)Br Amb1102780 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.75 OC(=O)\C=C\c1ccc(o1)Cl Amb1107531 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.75 OC(=O)\C=C\c1ccc(o1)I Amb1102794 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.77 C=C(F)C[C@@H](O)c1ccco1 Amb25149770 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.77 CC(=C)CC(=O)c1ccco1 Amb18065315 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.77 CC(=C)CC(N)c1ccc[nH]1 Amb25294354 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.77 CC(=C)CC(N)c1ccco1 Amb24664035 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.77 CC(=C)C[C@@H](N)c1ccco1 Amb24585183 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.77 CC(=C)C[C@@H](O)c1ccco1 Amb24554611 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.77 CC(=C)C[C@H](N)c1ccco1 Amb24621881 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.77 CC(=C)C[C@H](O)c1ccco1 Amb25280051 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.77 CC(=O)CC(=O)c1[n]cco1 Amb24486514 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.77 CC(=O)CC(C)c1c[s]c[n]1 Amb24408556 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.77 CC(=O)CC(C)c1c[s]cc1 Amb25062699 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.77 CC(=O)CC(C)c1cocc1 Amb25223137 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.77 CC(=O)CC(N)c1cc[s]c1 Amb24565933 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.77 CC(=O)CC(N)c1ccc[s]1 Amb25260094 [0,1,0,0,0,0|1,1,0]=3 601 B11R1.77 CC(=O)CC(O)c1cc[s]c1 Amb25150153 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.77 CC(=O)CC(O)c1ccc[s]1 Amb25142708 [0,1,0,0,0,0|1,1,0]=3 603 B11R1.77 CC(=O)CS(=O)c1ccc[s]1 Amb24533064 [0,1,0,0,0,0|2,1,0]=4 604 B11R1.77 CC(=O)C[C@@H](O)c1ccco1 Amb25151584 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.77 CC(=O)C[C@H](C)c1ccco1 Amb24691777 [0,1,0,0,0,0|1,0,0]=2 606 B11R1.77 CC(=O)NC(=O)c1ccc[s]1 Amb25041075 [0,1,0,0,0,0|1,1,1]=4 607 B11R1.77 CC(=O)NC(C)c1[nH]cc[n]1 Amb25355063 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.77 CC(=O)NC(C)c1cc[n][nH]1 Amb25187624 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.77 CC(=O)NC(C)c1cocc1 Amb25803320 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.77 CC(=O)N[C@@H](C)c1c[n]c[s]1 Amb24631717 [0,1,0,0,0,0|2,1,0]=4 611 B11R1.77 CC(=O)N[C@@H](C)c1ccc[s]1 Amb25777895 [0,1,0,0,0,0|1,1,0]=3 612 B11R1.77 CC(=O)N[C@@H](C)c1ccco1 Amb25808220 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.77 CC(=O)OC(=O)c1ccc[nH]1 Amb25771862 [0,1,0,0,0,0|1,0,1]=3 614 B11R1.77 CC(=O)OC(C)c1ccc[s]1 Amb25667972 [0,1,0,0,0,0|0,1,0]=2 615 B11R1.77 CC(=O)OC(Cl)c1ccco1 Amb24487882 [0,1,0,0,0,0|0,0,0]=1 616 B11R1.77 CC(=O)O[C@@H](C)c1[n]cc[s]1 Amb24582041 [0,1,0,0,0,0|1,1,0]=3 617 B11R1.77 CC(=O)O[C@@H](C)c1ccco1 Amb22801668 [0,1,0,0,0,0|0,0,0]=1 618 B11R1.77 CC(=O)O[C@H](C)c1c[n]c[s]1 Amb25334370 [0,1,0,0,0,0|1,1,0]=3 619 B11R1.77 CC(=O)SC(=S)c1ccc[nH]1 Amb24695319 [0,1,0,0,0,0|1,1,1]=4 620 B11R1.77 CC(=O)\C=C(/N)\c1ccco1 Amb25718349 [0,1,0,0,0,0|1,0,1]=3 621 B11R1.77 CC(C)=CC(N)c1ccc[s]1 Amb25149232 [0,1,0,0,0,0|2,1,0]=4 622 B11R1.77 CC(C)=CC(N)c1ccco1 Amb25742767 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.77 CC(C)=CC(O)c1ccco1 Amb25126405 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.77 CC(C)CC(N)c1ccco1 Amb18981697 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.77 CC(C)C[C@@H](N)c1ccco1 Amb25139351 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.77 CC(C)N[C@@H](C)c1ccco1 Amb25801311 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.77 CC(C)N[C@H](C)c1ccco1 Amb25262954 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.77 CC(CC(C)=O)[n]1ccc[n]1 Amb25074243 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.77 CC(CC(C)N)c1ccco1 Amb25151306 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.77 CC(CC(O)=O)c1cc[n]o1 Amb25350744 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.77 CC(CC(O)=O)c1ccc[nH]1 Amb25150500 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.77 CC(CC(c1ccco1)O)C Amb17232133 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.77 CC(C[N+]([O-])=O)c1ccco1 Amb25350384 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.77 CC(N)CC(N)c1ccco1 Amb25691509 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.77 CC(N)CC(O)c1ccco1 Amb20668953 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.77 CC(NC(C)=O)=C1C=CC=C1 Amb25125806 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.77 CC(NC(N)=N)c1ccco1 Amb18181785 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.77 CC(NC(N)=O)c1ccc[nH]1 Amb25283961 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.77 CC(OC(=O)c1ccco1)C Amb10572174 [0,1,0,0,0,0|1,0,2]=4 640 B11R1.77 CC(OC(C)=O)[n]1c[n]c[n]1 Amb24194534 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.77 CC(OC(C)=O)[n]1c[n]cc1 Amb25145933 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.77 CN(CC(c1ccco1)Cl)C Amb17548212 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.77 CN(CC(c1ccco1)N)C Amb1125377 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.77 CN(CC(c1ccco1)O)C Amb17104280 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.77 CS(=O)CC(=O)c1ccco1 Amb24080225 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.77 CS(=O)CC(O)c1ccco1 Amb25056851 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.77 CS(=O)C[C@@H](O)c1ccco1 Amb25097747 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.77 C[C@@H](NC(N)=N)c1ccco1 Amb24412381 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.77 C[C@@H](O)C[C@@H](O)c1ccco1 Amb24661214 [0,1,0,0,0,0|1,0,2]=4 650 B11R1.77 C[C@H](C[N+]([O-])=O)c1ccco1 Amb24665645 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.77 C[C@H](NC(N)=N)c1ccco1 Amb25832182 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.77 C[C@H](O)C[C@@H](O)c1ccco1 Amb25149667 [0,1,0,0,0,0|1,0,2]=4 653 B11R1.77 C\C(=C\C(C)=O)\c1ccc[s]1 Amb24630689 [0,1,0,0,0,0|1,1,1]=4 654 B11R1.77 C\C(=C\C(O)=O)\c1ccco1 Amb24668653 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.77 C\C(\N)=C\C(=O)c1ccco1 Amb25150323 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.77 NC(=O)CC(=O)c1ccco1 Amb24563831 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.77 NC(=O)CC(O)c1ccco1 Amb25840351 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.77 NC(=O)CC(c1cccs1)C Amb17232718 [0,1,0,0,0,0|2,1,0]=4 659 B11R1.77 NC(=O)C[C@@H](N)c1ccc[s]1 Amb18180267 [0,1,0,0,0,0|2,1,0]=4 660 B11R1.77 NC(=O)C[C@@H](N)c1ccco1 Amb18179504 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.77 NC(=O)C[C@H](N)c1ccco1 Amb25702198 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.77 NC(CC(O)=O)c1cc[n]o1 Amb24734907 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.77 NC(CC(O)=O)c1ccc[nH]1 Amb24061838 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.77 N[C@@H](CC(O)=O)c1ccc[nH]1 Amb25836815 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.77 N[C@@H](CC(O)=O)c1ccc[s]1 Amb18180320 [0,1,0,0,0,0|2,1,0]=4 666 B11R1.77 N[C@@H](CC(O)=O)c1ccco1 Amb18179572 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.77 N[C@H](CC(O)=O)c1cc[n]o1 Amb25381253 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.77 N[C@H](CC(O)=O)c1ccco1 Amb25319193 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.77 OC(=O)CC(Cl)c1ccc[s]1 Amb18120438 [0,1,0,0,0,0|2,1,0]=4 670 B11R1.77 OC(=O)CC(Cl)c1ccco1 Amb18119889 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.77 OC(=O)CC(O)c1c[n]co1 Amb18200045 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.77 OC(=O)CC(c1ccco1)N Amb2583027 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.77 OC(=O)CC(c1ccco1)O Amb17232169 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.77 OC(=O)CC(c1cccs1)N Amb1993734 [0,1,0,0,0,0|2,1,0]=4 675 B11R1.77 OC(=O)CC(c1cccs1)O Amb17232866 [0,1,0,0,0,0|2,1,0]=4 676 B11R1.77 [O-][N+](=O)C[C@H](O)c1ccco1 Amb25242636 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.90 CC(=C)CCN1OC=CC1=O Amb25673957 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.90 CC(=O)C#Cc1ccc[n]1C Amb25151535 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.90 CC(=O)CCc1[n]cc[n]1C Amb25691923 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.90 CC(=O)CCc1[s]ccc1Br Amb25329410 [0,1,0,0,0,0|1,1,0]=3 681 B11R1.90 CC(=O)CCc1[s]ccc1Cl Amb25692710 [0,1,0,0,0,0|1,1,0]=3 682 B11R1.90 CC(=O)CCc1c[s]cc1Br Amb24667267 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.90 CC(=O)CCc1cc[n][n]1C Amb18831194 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.90 CC(=O)CCc1cc[s]c1Cl Amb24373333 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.90 CC(=O)CCc1occc1Br Amb24454394 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.90 CC(=O)NCc1c[n]c[n]1C Amb24363530 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.90 CC(=O)NCc1cc[n][n]1C Amb25335146 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.90 CC(=O)NCc1sccc1Br Amb15563083 [0,1,0,0,0,0|1,1,0]=3 689 B11R1.90 CC(=O)NN=c1occ[n]1C Amb24072903 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.90 CC(=O)OCC1=CCCC1=O Amb25151453 [0,1,0,0,0,0|1,0,2]=4 691 B11R1.90 CC(=O)OCC1=CCCC1O Amb25357660 [0,1,0,0,0,0|1,0,2]=4 692 B11R1.90 CC(=O)OCC1CC=CC1=O Amb24509585 [0,1,0,0,0,0|1,0,1]=3 693 B11R1.90 CC(=O)OCC1CC=CC1O Amb25187440 [0,1,0,0,0,0|1,0,2]=4 694 B11R1.90 CC(=O)OCN1C=CNC1=S Amb24567038 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.90 CC(=O)OC[C@H]1CC=C[C@@H]1O Amb24661071 [0,1,0,0,0,0|1,0,2]=4 696 B11R1.90 CC(=O)OCc1[s]c[n]c1Br Amb24383981 [0,1,0,0,0,0|1,1,0]=3 697 B11R1.90 CC(=O)OCc1[s]c[n]c1Cl Amb25214268 [0,1,0,0,0,0|1,1,0]=3 698 B11R1.90 CC(=O)OCc1c[n][n][n]1C Amb24660914 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.90 CC(=O)OCc1cc[s]c1Br Amb24448043 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.90 CC(=O)OCc1cocc1F Amb24380427 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.90 CC(=O)OCc1occc1Cl Amb25682420 [0,1,0,0,0,0|0,0,0]=1 702 B11R1.90 CC(=O)O\C=C/1\CC=CC1=O Amb25202733 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.90 CC(=O)\C=C\c1[s]ccc1Cl Amb25211410 [0,1,0,0,0,0|1,1,1]=4 704 B11R1.90 CC(=O)\C=C\c1ccc[n]1C Amb24576003 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.90 CC(=O)\C=C\c1occc1Br Amb25148334 [0,1,0,0,0,0|1,0,1]=3 706 B11R1.90 CC(=O)\C=C\c1sccc1C Amb17477747 [0,1,0,0,0,0|1,1,1]=4 707 B11R1.90 CC(C)NCc1occc1Br Amb25792535 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.90 CS(=O)NCc1[s]ccc1Br Amb25177198 [0,1,0,0,0,0|2,1,0]=4 709 B11R1.90 C[n]1cccc1CCC(=O)Cl Amb25089761 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.90 C[n]1cccc1CNC(N)=O Amb25786793 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.90 Cc1[nH]c[n]c1CNC(C)=O Amb24420658 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.90 Cc1[n][n][s]c1COC(C)=O Amb22370505 [0,1,0,0,0,0|2,1,0]=4 713 B11R1.90 Cc1[n]c[s]c1CNC(C)=O Amb25322973 [0,1,0,0,0,0|2,1,0]=4 714 B11R1.90 Cc1[n]c[s]c1COC(C)=O Amb25795833 [0,1,0,0,0,0|1,1,0]=3 715 B11R1.90 Cc1[n]coc1CCC(O)=O Amb18830918 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.90 Cc1c[n]oc1CCC(O)=O Amb25238550 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.90 Cc1cc[s]c1C#CC(C)=O Amb25096002 [0,1,0,0,0,0|1,1,1]=4 718 B11R1.90 Cc1ccoc1C#CC(O)=O Amb25283321 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.90 Cc1ccoc1CCC(C)Cl Amb25060698 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.90 Cc1ccoc1CCC(C)N Amb24488313 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.90 Cc1ccoc1CCC(O)=O Amb18200842 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.90 Cc1ccoc1CNC(N)=O Amb24642640 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.90 Cc1ccoc1\C=C\C(C)=O Amb25730265 [0,1,0,0,0,0|1,0,1]=3 724 B11R1.90 Cc1cocc1CCC(C)=O Amb24753002 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.90 Cc1oc[n]c1CNC(C)=O Amb24371811 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.90 Cc1oc[n]c1COC(C)=O Amb24363436 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.90 OC(=O)CCc1[s]ccc1Br Amb18293479 [0,1,0,0,0,0|2,1,0]=4 728 B11R1.90 OC(=O)CCc1occc1Br Amb25823223 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.510 CC(C)(N)CCc1ccco1 Amb18065402 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.510 CC(NCc1ccco1)(C)C Amb1131110 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.510 CS(=O)(=O)NCc1ccc[nH]1 Amb24721148 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.510 CS(=O)(=O)NCc1cccs1 Amb2435171 [0,1,0,0,0,0|2,1,0]=4 733 B11R1.510 CS(=O)(=O)OCc1[n]cc[s]1 Amb25692417 [0,1,0,0,0,0|2,1,0]=4 734 B11R1.510 CS(=O)(=O)OCc1c[nH]c[n]1 Amb25748992 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.510 CS(=O)(=O)OCc1cocc1 Amb25279087 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.510 CS(=O)(=O)[N-]Cc1ccco1 Amb23497763 [0,1,0,0,0,0|2,0,0]=3 737 B9R0.2 C=CCCCCOC(=O)C Amb10842183 [0,0,1,0,0,0|1,0,2]=4 738 B9R0.2 C=C\C=C\CCOC(N)=O Amb25209038 [0,0,1,0,0,0|2,0,1]=4 739 B9R0.2 CC(=O)CCC\C=C/CO Amb25146607 [0,0,1,0,0,0|1,0,2]=4 740 B9R0.2 CC(=O)CCC\C=C\C=C Amb25713959 [0,0,1,0,0,0|2,0,1]=4 741 B9R0.2 CC(=O)CCC\C=C\C=O Amb18124580 [0,0,1,0,0,0|1,0,2]=4 742 B9R0.2 CC(=O)CCC\C=C\CO Amb25297110 [0,0,1,0,0,0|1,0,2]=4 743 B9R0.2 CC(=O)CC\C=C\CC=C Amb25245400 [0,0,1,0,0,0|2,0,1]=4 744 B9R0.2 CC(=O)CC\C=C\CCO Amb24587265 [0,0,1,0,0,0|1,0,2]=4 745 B9R0.2 CC(=O)NCCOCC=C Amb25284274 [0,0,1,0,0,0|1,0,2]=4 746 B9R0.2 CC(=O)N\C=C\C=C/CO Amb24428235 [0,0,1,0,0,0|1,0,2]=4 747 B9R0.2 CC(=O)N\C=C\C=CC=O Amb24629598 [0,0,1,0,0,0|1,0,2]=4 748 B9R0.2 CC(=O)N\C=C\C=CCO Amb25340655 [0,0,1,0,0,0|1,0,2]=4 749 B9R0.2 CC(=O)OCC#C\C=C\Cl Amb24626277 [0,0,1,0,0,0|1,0,2]=4 750 B9R0.2 CC(=O)OCCC\C=C\Cl Amb24720035 [0,0,1,0,0,0|1,0,2]=4 751 B9R0.2 CC(=O)OCC\C=C\CBr Amb24558178 [0,0,1,0,0,0|1,0,2]=4 752 B9R0.2 CC(=O)OC\C=C\CCBr Amb25731902 [0,0,1,0,0,0|1,0,2]=4 753 B9R0.2 CC(=O)OC\C=C\CCCl Amb25791630 [0,0,1,0,0,0|1,0,2]=4 754 B9R0.2 CC(=O)O\C=C\C=C\C=O Amb25311232 [0,0,1,0,0,0|0,0,2]=3 755 B9R0.2 CC=CC=CC=CC(C)=O Amb25238403 [0,0,1,0,0,0|2,0,1]=4 756 B9R0.2 CC\C=C/CCOC(=O)C Amb10807379 [0,0,1,0,0,0|1,0,2]=4 757 B9R0.2 CC\C=C\CCOC(C)=O Amb24706335 [0,0,1,0,0,0|1,0,2]=4 758 B9R0.2 C\C=C/C=C/COC(=O)C Amb10563784 [0,0,1,0,0,0|1,0,0]=2 759 B9R0.2 C\C=C\C=CCNC(C)=O Amb24560930 [0,0,1,0,0,0|2,0,0]=3 760 B9R0.2 C\C=C\C=CCOC(C)=O Amb24705268 [0,0,1,0,0,0|1,0,0]=2 761 B9R0.2 C\C=C\C=C\C=C/C(C)=O Amb25822807 [0,0,1,0,0,0|2,0,1]=4 762 B9R0.2 C\C=C\C=C\C=C\C(C)=O Amb25185305 [0,0,1,0,0,0|2,0,1]=4 763 B9R0.2 C\C=C\C=C\CCC(C)=O Amb24478389 [0,0,1,0,0,0|2,0,0]=3 764 B9R0.2 C\C=C\C=C\CCC(O)=O Amb18643576 [0,0,1,0,0,0|3,0,0]=4 765 B9R0.2 C\C=C\C=C\COC(N)=O Amb25147582 [0,0,1,0,0,0|2,0,0]=3 766 B9R0.43 CC(=O)OC[C@H](CO)C=C Amb25284293 [0,0,1,0,0,0|2,0,1]=4 767 B9R0.43 CC(=O)OC\C(\C=O)=C\C Amb25371691 [0,0,1,0,0,0|2,0,1]=4 768 B9R0.43 CC(=O)OC\C(\C=O)=N/O Amb24418493 [0,0,1,0,0,0|3,0,0]=4 769 B9R0.48 CC(=O)CCC(=O)OC=C Amb24633305 [0,0,1,0,0,0|2,0,0]=3 770 B9R0.48 CC(=O)CCC(=O)\C=C\C Amb24691794 [0,0,1,0,0,0|1,0,2]=4 771 B9R0.48 CC(=O)OCC(=O)OCC Amb24482663 [0,0,1,0,0,0|1,0,2]=4 772 B9R0.48 CC(=O)OCC(=O)\C=C\C Amb24587837 [0,0,1,0,0,0|0,0,2]=3 773 B9R0.48 CC(=O)OCC(C)=CC=O Amb25185647 [0,0,1,0,0,0|2,0,0]=3 774 B9R0.48 CC(=O)OCC(Cl)=CCO Amb24524438 [0,0,1,0,0,0|2,0,1]=4 775 B9R0.48 CC(=O)OCC(Cl)SC=C Amb25061296 [0,0,1,0,0,0|1,1,1]=4 776 B9R0.48 CC(=O)OCC(O)CC=O Amb24736983 [0,0,1,0,0,0|1,0,2]=4 777 B9R0.48 CC(=O)OC[C@H](O)CC=O Amb24758802 [0,0,1,0,0,0|1,0,2]=4 778 B9R0.48 CC(=O)OC\C(\C)=C\CN Amb24505109 [0,0,1,0,0,0|2,0,1]=4 779 B9R0.48 CC(=O)SCC(O)CC=C Amb25676686 [0,0,1,0,0,0|0,1,2]=4 780 B9R0.48 CC(=O)\C=C\C(=O)OC=C Amb24631181 [0,0,1,0,0,0|2,0,1]=4 781 B9R0.48 CC(COC(C)=O)=CCBr Amb25249130 [0,0,1,0,0,0|2,0,1]=4 782 B9R0.48 CC(COC(C)=O)=CCCl Amb24562208 [0,0,1,0,0,0|2,0,1]=4 783 B9R0.48 C\C(\COC(C)=O)=C/CCl Amb24375935 [0,0,1,0,0,0|2,0,1]=4 784 B9R0.48 C\C=C/[C@@H](O)CCC(C)=O Amb25146706 [0,0,1,0,0,0|1,0,2]=4 785 B9R0.48 C\C=C\C(O)CCC(C)=O Amb25142677 [0,0,1,0,0,0|1,0,2]=4 786 B9R0.48 C\C=C\C(O)CNC(C)=O Amb24480779 [0,0,1,0,0,0|1,0,2]=4 787 B9R0.48 C\C=C\[C@H](O)CCC(C)=O Amb24749626 [0,0,1,0,0,0|1,0,2]=4 788 B9R0.48 [N-]=[N+]=CC(=O)COC(=O)C Amb17593580 [0,0,1,0,0,0|2,0,1]=4 789 B11R2.11 O=C1CC(C1)[n]2ccc[n]2 Amb25199247 [0,0,0,1,0,0|3,0,0]=4 790 B11R2.11 O=C1CC(C1)c2[n]cc[s]2 Amb25704989 [0,0,0,1,0,0|2,1,0]=4 791 B11R2.11 O=C1CC(C1)c2ccc[s]2 Amb25162176 [0,0,0,1,0,0|1,1,0]=3 792 B11R2.11 O=C1CC(C1)c2cco[n]2 Amb24707048 [0,0,0,1,0,0|3,0,0]=4 793 B11R2.11 O=C1CC(N1)c2[n]cc[s]2 Amb25314640 [0,0,0,1,0,0|2,1,0]=4 794 B11R2.11 O=C1CC(N1)c2cc[s]c2 Amb24376718 [0,0,0,1,0,0|3,0,0]=4 795 B11R2.11 O=C1CC(N1)c2ccc[s]2 Amb25185121 [0,0,0,1,0,0|1,1,0]=3 796 B11R2.36 Cc1cc2ccoc2[n]c1 Amb23403003 [0,0,0,1,0,0|3,0,0]=4 797 B11R2.36 Cc1cc2ccoc2cc1 Amb22751743 [0,0,0,1,0,0|2,0,1]=4 798 B11R2.36 FC=1Cc2cc[nH]c2CC1 Amb25727241 [0,0,0,1,0,0|3,0,0]=4 799 B11R2.36 O=C1C=C2C=CSC2=CO1 Amb25312426 [0,0,0,1,0,0|0,1,2]=4 800 B11R2.36 O=C1CCc2c(C1)cc[nH]2 Amb13883727 [0,0,0,1,0,0|2,0,0]=3 801 B11R2.36 O=C1CCc2oc[n]c2N1 Amb25046382 [0,0,0,1,0,0|3,0,0]=4 802 B11R2.36 O=C1C[n]2c[n]cc2CN1 Amb25223825 [0,0,0,1,0,0|3,0,0]=4 803 B11R2.36 O=C1C[n]2cc[n]c2CN1 Amb25057886 [0,0,0,1,0,0|3,0,0]=4 804 B11R2.36 O=C1C[n]2cccc2CN1 Amb24444538 [0,0,0,1,0,0|2,0,0]=3 805 B11R2.36 O=C1Cc2[nH]c[n]c2CC1 Amb22001580 [0,0,0,1,0,0|3,0,0]=4 806 B11R2.36 O=C1Cc2[n]c[s]c2CC1 Amb24694323 [0,0,0,1,0,0|2,1,0]=4 807 B11R2.36 O=C1Cc2[s]c[n]c2CC1 Amb22756163 [0,0,0,1,0,0|3,0,0]=4 808 B11R2.36 O=C1Cc2[s]ccc2CC1 Amb24707052 [0,0,0,1,0,0|3,0,0]=4 809 B11R2.36 O=C1Cc2[s]ccc2CN1 Amb24574721 [0,0,0,1,0,0|3,0,0]=4 810 B11R2.36 O=C1Cc2c[n][nH]c2CC1 Amb22499077 [0,0,0,1,0,0|3,0,0]=4 811 B11R2.36 O=C1Cc2c[n]oc2CC1 Amb24390772 [0,0,0,1,0,0|2,0,0]=3 812 B11R2.36 O=C1Cc2c[s]cc2CC1 Amb25145556 [0,0,0,1,0,0|3,0,0]=4 813 B11R2.36 O=C1Cc2cc[nH]c2CN1 Amb25147601 [0,0,0,1,0,0|2,0,0]=3 814 B11R2.36 O=C1Cc2cc[s]c2CN1 Amb25749193 [0,0,0,1,0,0|1,1,0]=3 815 B11R2.36 O=C1Cc2ccc[n]2CC1 Amb18203103 [0,0,0,1,0,0|3,0,0]=4 816 B11R2.36 O=C1Cc2ccoc2C=C1 Amb24757003 [0,0,0,1,0,0|1,0,1]=3 817 B11R2.36 O=C1Cc2cocc2CC1 Amb24377986 [0,0,0,1,0,0|3,0,0]=4 818 B11R2.36 OC1CC=2C=CCC2CO1 Amb25306552 [0,0,0,1,0,0|1,0,2]=4 819 B11R2.141 CC(=O)C1CC12C=CC=C2 Amb25063592 [0,0,0,1,0,0|2,0,1]=4 820 B11R2.359 O=C1CC2C=CC(CC1)O2 Amb24520583 [0,0,0,1,0,0|1,0,2]=4 821 B11R2.385 C(NC1CC1)c2ccco2 Amb21972193 [0,0,0,1,0,0|2,0,1]=4 822 B11R2.385 c1coc(c1)CNC2CC2 Amb1136152 [0,0,0,1,0,0|2,0,1]=4 823 B11R2.845 CC(=O)C1CC2C=CC1O2 Amb25793041 [0,0,0,1,0,0|1,0,2]=4 824 B11R2.845 CC(=O)[C@@H]1C[C@@H]2C=C[C@H]1O2 Amb25319545 [0,0,0,1,0,0|1,0,2]=4 825 B11R2.845 CC(=O)[C@@H]1C[C@H]2C=C[C@@H]1O2 Amb24512655 [0,0,0,1,0,0|1,0,2]=4 826 B11R2.845 CC(=O)[C@H]1C[C@H]2C=C[C@@H]1O2 Amb24512377 [0,0,0,1,0,0|1,0,2]=4 827 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [0,0,0,0,1,0|2,0,1]=4 828 B9R1.13 C=C(Br)Cc1ccc[s]1 Amb25185096 [0,0,0,0,1,0|1,1,1]=4 829 B9R1.13 C=C(Br)Cc1ccco1 Amb24411253 [0,0,0,0,1,0|1,0,1]=3 830 B9R1.13 C=C(Cl)Cc1ccc[s]1 Amb24674094 [0,0,0,0,1,0|1,1,1]=4 831 B9R1.13 CC(=C)C[n]1ccc[n]1 Amb25709279 [0,0,0,0,1,0|3,0,0]=4 832 B9R1.13 CC(=C)Cc1ccc[nH]1 Amb24477810 [0,0,0,0,1,0|2,0,0]=3 833 B9R1.13 CC(=C)Cc1ccco1 Amb24673621 [0,0,0,0,1,0|1,0,0]=2 834 B9R1.13 CC(=O)CC1=CC=C[SiH2]1 Amb25729101 [0,0,0,0,1,0|1,0,0]=2 835 B9R1.13 CC(=O)CC1=CCCO1 Amb24583510 [0,0,0,0,1,0|0,0,2]=3 836 B9R1.13 CC(=O)CC1=NCCO1 Amb24064239 [0,0,0,0,1,0|1,0,2]=4 837 B9R1.13 CC(=O)CC1CC=CC1 Amb25337514 [0,0,0,0,1,0|1,0,2]=4 838 B9R1.13 CC(=O)C[C@@H]1CCC=C1 Amb25358818 [0,0,0,0,1,0|1,0,2]=4 839 B9R1.13 CC(=O)C[C@H]1CCC=C1 Amb24380779 [0,0,0,0,1,0|1,0,2]=4 840 B9R1.13 CC(=O)C[n]1c[n]c[n]1 Amb22284176 [0,0,0,0,1,0|3,0,0]=4 841 B9R1.13 CC(=O)C[n]1cc[n][n]1 Amb24578286 [0,0,0,0,1,0|3,0,0]=4 842 B9R1.13 CC(=O)C[n]1ccc[n]1 Amb21988437 [0,0,0,0,1,0|2,0,0]=3 843 B9R1.13 CC(=O)Cc1[n]c[s][n]1 Amb18202586 [0,0,0,0,1,0|3,0,0]=4 844 B9R1.13 CC(=O)Cc1[n]co[n]1 Amb25758852 [0,0,0,0,1,0|3,0,0]=4 845 B9R1.13 CC(=O)Cc1c[nH]c[n]1 Amb25832036 [0,0,0,0,1,0|2,0,0]=3 846 B9R1.13 CC(=O)Cc1cc[nH]c1 Amb18893399 [0,0,0,0,1,0|2,0,0]=3 847 B9R1.13 CC(=O)Cc1cc[n]o1 Amb24425365 [0,0,0,0,1,0|1,0,0]=2 848 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,1,0|2,0,0]=3 849 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,1,0|2,0,0]=3 850 B9R1.13 CC(=O)Cn1cncn1 Amb1102646 [0,0,0,0,1,0|3,0,0]=4 851 B9R1.13 CC(=O)Nc1c[n]c[nH]1 Amb25125301 [0,0,0,0,1,0|3,0,0]=4 852 B9R1.13 CC(=O)Nc1c[n]c[s]1 Amb24103761 [0,0,0,0,1,0|2,1,0]=4 853 B9R1.13 CC(=O)Nc1cc[n]o1 Amb25345903 [0,0,0,0,1,0|2,0,0]=3 854 B9R1.13 CC(=O)Nc1cc[s][n]1 Amb24381433 [0,0,0,0,1,0|3,0,0]=4 855 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,0,0,0,1,0|1,1,0]=3 856 B9R1.13 CC(=O)Nc1ncc[nH]1 Amb2182759 [0,0,0,0,1,0|3,0,0]=4 857 B9R1.13 CC(=O)OC1CCC=C1 Amb24532884 [0,0,0,0,1,0|1,0,2]=4 858 B9R1.13 CC(=O)Oc1c[nH]c[n]1 Amb24708608 [0,0,0,0,1,0|2,0,0]=3 859 B9R1.13 CC(=O)Oc1cc[nH]c1 Amb24476976 [0,0,0,0,1,0|2,0,0]=3 860 B9R1.13 CC(=O)Oc1ccc[s]1 Amb24566730 [0,0,0,0,1,0|0,1,0]=2 861 B9R1.13 CC(=O)Oc1cocc1 Amb24583167 [0,0,0,0,1,0|2,0,0]=3 862 B9R1.13 CC(=O)Sc1c[s]cc1 Amb24727644 [0,0,0,0,1,0|2,1,0]=4 863 B9R1.13 CC(=O)Sc1ccc[s]1 Amb25235134 [0,0,0,0,1,0|0,2,0]=3 864 B9R1.13 CC(=O)Sc1ccco1 Amb24511658 [0,0,0,0,1,0|0,1,0]=2 865 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,0,0,0,1,0|1,0,1]=3 866 B9R1.13 CC(C)Cc1ccc[s]1 Amb24061264 [0,0,0,0,1,0|1,1,1]=4 867 B9R1.13 CC(Cc1ccc[nH]1)O Amb17593297 [0,0,0,0,1,0|1,0,2]=4 868 B9R1.13 CC(Cc1cccs1)Cl Amb17477833 [0,0,0,0,1,0|1,1,1]=4 869 B9R1.13 CC(Cc1ncco1)C Amb17399801 [0,0,0,0,1,0|2,0,1]=4 870 B9R1.13 CC(N)Cc1ccc[nH]1 Amb18284392 [0,0,0,0,1,0|2,0,1]=4 871 B9R1.13 CC(N)Cc1ccc[s]1 Amb19514742 [0,0,0,0,1,0|1,1,1]=4 872 B9R1.13 CC(O)CC=1CC=CC1 Amb25832624 [0,0,0,0,1,0|1,0,2]=4 873 B9R1.13 CC(O)Cc1cc[n]o1 Amb24747618 [0,0,0,0,1,0|1,0,2]=4 874 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,0,0,0,1,0|0,0,2]=3 875 B9R1.13 CC(O)Nc1ccco1 Amb24392212 [0,0,0,0,1,0|1,0,2]=4 876 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,0,0,0,1,0|0,1,1]=3 877 B9R1.13 CN(C)Cc1ccc[s]1 Amb21864815 [0,0,0,0,1,0|2,1,0]=4 878 B9R1.13 CN(C)Cc1ccco1 Amb22730011 [0,0,0,0,1,0|2,0,0]=3 879 B9R1.13 CN(Cl)Cc1ccc[s]1 Amb24639521 [0,0,0,0,1,0|2,1,0]=4 880 B9R1.13 CN(N)Cc1ccco1 Amb25216114 [0,0,0,0,1,0|2,0,0]=3 881 B9R1.13 CS(=O)Cc1ccc[s]1 Amb25746950 [0,0,0,0,1,0|1,1,0]=3 882 B9R1.13 C[C@@H](N)Cc1ccc[s]1 Amb24680998 [0,0,0,0,1,0|1,1,1]=4 883 B9R1.13 C[C@@H](O)Cc1ccc[s]1 Amb22896924 [0,0,0,0,1,0|0,1,2]=4 884 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,0,0,0,1,0|0,0,2]=3 885 B9R1.13 C[C@H](O)Cc1cc[n]o1 Amb25706054 [0,0,0,0,1,0|1,0,2]=4 886 B9R1.13 C[C@H](O)Cc1ccc[s]1 Amb25354706 [0,0,0,0,1,0|0,1,2]=4 887 B9R1.13 ClC(Cl)=Cc1ccco1 Amb24559898 [0,0,0,0,1,0|2,0,1]=4 888 B9R1.13 F\C(\Cl)=C\c1ccco1 Amb24665869 [0,0,0,0,1,0|2,0,1]=4 889 B9R1.13 NC(=O)Cc1[n]cc[s]1 Amb23440630 [0,0,0,0,1,0|2,1,0]=4 890 B9R1.13 NC(=O)Cc1c[nH]c[n]1 Amb24746799 [0,0,0,0,1,0|3,0,0]=4 891 B9R1.13 NC(=O)Cc1c[n]c[s]1 Amb22372056 [0,0,0,0,1,0|2,1,0]=4 892 B9R1.13 NC(=O)Cc1cc[nH]c1 Amb18243493 [0,0,0,0,1,0|3,0,0]=4 893 B9R1.13 NC(=O)Cc1ccc[nH]1 Amb22886650 [0,0,0,0,1,0|2,0,0]=3 894 B9R1.13 NC(=O)Cc1ccco1 Amb24534382 [0,0,0,0,1,0|1,0,0]=2 895 B9R1.13 NC(=O)Cc1cco[n]1 Amb23440839 [0,0,0,0,1,0|3,0,0]=4 896 B9R1.13 NC(=O)Cn1cccn1 Amb10609663 [0,0,0,0,1,0|3,0,0]=4 897 B9R1.13 NC(=O)Oc1ccc[nH]1 Amb24763643 [0,0,0,0,1,0|2,0,0]=3 898 B9R1.13 NC(=O)Sc1ccc[s]1 Amb24406078 [0,0,0,0,1,0|1,2,0]=4 899 B9R1.13 NC(=S)Cc1ccc[nH]1 Amb19148730 [0,0,0,0,1,0|2,1,0]=4 900 B9R1.13 NC(=S)Cc1cccs1 Amb1092031 [0,0,0,0,1,0|1,2,0]=4 901 B9R1.13 O=C(Cl)C[n]1ccc[n]1 Amb24340282 [0,0,0,0,1,0|3,0,0]=4 902 B9R1.13 O=C(Cl)Cc1c[nH]c[n]1 Amb25146205 [0,0,0,0,1,0|3,0,0]=4 903 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,0,0,0,1,0|1,0,0]=2 904 B9R1.13 O=C(Cl)Oc1ccco1 Amb25258766 [0,0,0,0,1,0|1,0,0]=2 905 B9R1.13 O=C(Cl)Sc1ccc[nH]1 Amb25690947 [0,0,0,0,1,0|2,1,0]=4 906 B9R1.13 O=C(Cl)Sc1ccc[s]1 Amb24696820 [0,0,0,0,1,0|1,2,0]=4 907 B9R1.13 O=C(Cn1cccn1)[OH2+] Amb10552495 [0,0,0,0,1,0|3,0,0]=4 908 B9R1.13 O=C(F)Sc1ccc[s]1 Amb25178865 [0,0,0,0,1,0|1,2,0]=4 909 B9R1.13 OB(Cc1ccco1)O Amb10576612 [0,0,0,0,1,0|2,0,1]=4 910 B9R1.13 OC(=O)CC1=CCCO1 Amb24639240 [0,0,0,0,1,0|1,0,2]=4 911 B9R1.13 OC(=O)Cc1[cH-]ccc1 Amb24122585 [0,0,0,0,1,0|2,0,0]=3 912 B9R1.13 OC(=O)Cc1[nH]cc[n]1 Amb22750530 [0,0,0,0,1,0|3,0,0]=4 913 B9R1.13 OC(=O)Cc1[n][n]co1 Amb22753920 [0,0,0,0,1,0|3,0,0]=4 914 B9R1.13 OC(=O)Cc1c[nH]c[n]1 Amb20670251 [0,0,0,0,1,0|3,0,0]=4 915 B9R1.13 OC(=O)Cc1cc[nH]c1 Amb18062951 [0,0,0,0,1,0|3,0,0]=4 916 B9R1.13 OC(=O)Cc1cc[n][nH]1 Amb19243677 [0,0,0,0,1,0|3,0,0]=4 917 B9R1.13 OC(=O)Cc1cc[n][s]1 Amb18831590 [0,0,0,0,1,0|2,1,0]=4 918 B9R1.13 OC(=O)Cc1cc[s][n]1 Amb18831591 [0,0,0,0,1,0|3,0,0]=4 919 B9R1.13 OC(=O)Cc1cscc1 Amb1151879 [0,0,0,0,1,0|3,0,0]=4 920 B9R1.13 OC(=O)Cc1cscn1 Amb17039671 [0,0,0,0,1,0|3,0,0]=4 921 B9R1.13 OC(=O)Cn1cccc1 Amb1124868 [0,0,0,0,1,0|3,0,0]=4 922 B9R1.13 OC(=O)Cn1cccn1 Amb1157167 [0,0,0,0,1,0|3,0,0]=4 923 B9R1.13 OC(=O)Sc1ccco1 Amb24695916 [0,0,0,0,1,0|1,1,0]=3 924 B9R1.13 [O-]C(=O)Cc1[n][n]co1 Amb20667981 [0,0,0,0,1,0|3,0,0]=4 925 B9R1.13 [O-]C(=O)Cc1c[nH]cn1 Amb10843901 [0,0,0,0,1,0|3,0,0]=4 926 B9R1.84 CC(=O)CCC=1CCC1 Amb25358814 [0,0,0,0,1,0|1,0,2]=4 927 B11R1.91 CC(=C)OCc1ccccc1 Amb22731238 [0,0,0,0,0,1|2,0,0]=3 928 B11R1.91 CC(=N)NCc1ccc[n][n]1 Amb24706265 [0,0,0,0,0,1|3,0,0]=4 929 B11R1.91 CC(=N)NCc1cccc[n]1 Amb25798703 [0,0,0,0,0,1|3,0,0]=4 930 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,0,0,0,0,1|3,0,0]=4 931 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,0,0,0,0,1|2,1,0]=4 932 B11R1.91 CC(=NCc1ccccc1)C Amb10568469 [0,0,0,0,0,1|3,0,0]=4 933 B11R1.91 CC(=O)C#Cc1c[n]cc[n]1 Amb25151538 [0,0,0,0,0,1|2,0,1]=4 934 B11R1.91 CC(=O)C=Cc1ccc[nH+]c1 Amb24099599 [0,0,0,0,0,1|2,0,1]=4 935 B11R1.91 CC(=O)CCN1CC=CC=C1 Amb24676819 [0,0,0,0,0,1|3,0,0]=4 936 B11R1.91 CC(=O)CCc1[n]ccc[n]1 Amb24726140 [0,0,0,0,0,1|2,0,0]=3 937 B11R1.91 CC(=O)CCc1c[n]cc[n]1 Amb25307907 [0,0,0,0,0,1|2,0,0]=3 938 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,1|2,0,0]=3 939 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,1|2,0,0]=3 940 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,1|2,0,0]=3 941 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,0,1|3,0,0]=4 942 B11R1.91 CC(=O)CSc1cc[n]c[n]1 Amb24477647 [0,0,0,0,0,1|3,0,0]=4 943 B11R1.91 CC(=O)CSc1cc[n]cc1 Amb25344740 [0,0,0,0,0,1|3,0,0]=4 944 B11R1.91 CC(=O)CSc1ccc[n][n]1 Amb24371884 [0,0,0,0,0,1|3,0,0]=4 945 B11R1.91 CC(=O)NC[C@H]1CCC=CO1 Amb24682130 [0,0,0,0,0,1|1,0,2]=4 946 B11R1.91 CC(=O)NCc1[n]ccc[n]1 Amb24704246 [0,0,0,0,0,1|2,0,0]=3 947 B11R1.91 CC(=O)NCc1c[n]c[n]c1 Amb22727960 [0,0,0,0,0,1|3,0,0]=4 948 B11R1.91 CC(=O)NCc1c[n]cc[n]1 Amb25311243 [0,0,0,0,0,1|2,0,0]=3 949 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,0,1|2,0,0]=3 950 B11R1.91 CC(=O)NNc1[n]ccc[n]1 Amb25739617 [0,0,0,0,0,1|3,0,0]=4 951 B11R1.91 CC(=O)NNc1c[n]ccc1 Amb25272223 [0,0,0,0,0,1|3,0,0]=4 952 B11R1.91 CC(=O)NNc1cc[n]cc1 Amb24416297 [0,0,0,0,0,1|3,0,0]=4 953 B11R1.91 CC(=O)NNc1ccc[n][n]1 Amb24475669 [0,0,0,0,0,1|3,0,0]=4 954 B11R1.91 CC(=O)NOc1ccccc1 Amb24104585 [0,0,0,0,0,1|3,0,0]=4 955 B11R1.91 CC(=O)OCC1C=CCC=C1 Amb22365037 [0,0,0,0,0,1|1,0,1]=3 956 B11R1.91 CC(=O)OCC1CC=CCC1 Amb24421286 [0,0,0,0,0,1|1,0,2]=4 957 B11R1.91 CC(=O)OCc1[n]ccc[n]1 Amb22756932 [0,0,0,0,0,1|1,0,0]=2 958 B11R1.91 CC(=O)SCc1ccc[n]c1 Amb22274513 [0,0,0,0,0,1|1,1,0]=3 959 B11R1.91 CC(=O)SCc1cccc[n]1 Amb22274512 [0,0,0,0,0,1|1,1,0]=3 960 B11R1.91 CC(=O)SSc1ccccc1 Amb24370825 [0,0,0,0,0,1|2,1,0]=4 961 B11R1.91 CC(=O)\C=C/c1cccc[n]1 Amb24532942 [0,0,0,0,0,1|2,0,1]=4 962 B11R1.91 CC(=O)\C=C/c1ccccc1 Amb24380759 [0,0,0,0,0,1|2,0,1]=4 963 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,0,1|2,0,1]=4 964 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,0,1|2,0,1]=4 965 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb17477757 [0,0,0,0,0,1|2,0,1]=4 966 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb17477756 [0,0,0,0,0,1|2,0,1]=4 967 B11R1.91 CC(=O)\C=N\c1ccccc1 Amb25230668 [0,0,0,0,0,1|3,0,0]=4 968 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,0,1|3,0,0]=4 969 B11R1.91 CC(=S)NCc1cccc[n]1 Amb24372089 [0,0,0,0,0,1|2,1,0]=4 970 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,0,0,0,0,1|2,1,0]=4 971 B11R1.91 CC(=S)OCc1ccccc1 Amb22168133 [0,0,0,0,0,1|1,1,0]=3 972 B11R1.91 CC(C)OCc1cc[n]cc1 Amb24649842 [0,0,0,0,0,1|2,0,1]=4 973 B11R1.91 CC(C)OCc1cccc[n]1 Amb24485831 [0,0,0,0,0,1|2,0,1]=4 974 B11R1.91 CC(N)OCc1cccc[n]1 Amb24432123 [0,0,0,0,0,1|2,0,1]=4 975 B11R1.91 CC(O)OCc1ccccc1 Amb25070837 [0,0,0,0,0,1|1,0,2]=4 976 B11R1.91 CN(C)OCc1ccccc1 Amb24735469 [0,0,0,0,0,1|3,0,0]=4 977 B11R1.91 C\C(\N)=N/Cc1c[n]ccc1 Amb24098048 [0,0,0,0,0,1|3,0,0]=4 978 B11R1.91 NC(=O)CCc1[n]ccc[n]1 Amb24355296 [0,0,0,0,0,1|3,0,0]=4 979 B11R1.91 NC(=O)CCc1c[n]cc[n]1 Amb25321905 [0,0,0,0,0,1|3,0,0]=4 980 B11R1.91 NC(=O)CCc1ccc[n][n]1 Amb25061349 [0,0,0,0,0,1|3,0,0]=4 981 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,0,0,0,0,1|3,0,0]=4 982 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,0,0,0,0,1|3,0,0]=4 983 B11R1.91 NC(=O)NCc1cc[n]c[n]1 Amb24467215 [0,0,0,0,0,1|3,0,0]=4 984 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,0,0,0,0,1|3,0,0]=4 985 B11R1.91 NC(=O)NCc1ccccn1 Amb1050832 [0,0,0,0,0,1|3,0,0]=4 986 B11R1.91 NC(=O)NCc1cccnc1 Amb2435041 [0,0,0,0,0,1|3,0,0]=4 987 B11R1.91 O=C(Cl)CCc1ccc[n]c1 Amb24077445 [0,0,0,0,0,1|3,0,0]=4 988 B11R1.91 O=C(Cl)NCc1ccccc1 Amb25772230 [0,0,0,0,0,1|3,0,0]=4 989 B11R1.91 O=C(Cl)OCc1cc[n]cc1 Amb24559531 [0,0,0,0,0,1|2,0,0]=3 990 B11R1.91 O=C(Cl)OCc1ccc[n]c1 Amb25852784 [0,0,0,0,0,1|2,0,0]=3 991 B11R1.91 O=C(S)CCc1ccccc1 Amb24733716 [0,0,0,0,0,1|3,0,0]=4 992 B11R1.91 OC(=O)CCc1ccc[n][n]1 Amb23592184 [0,0,0,0,0,1|3,0,0]=4 993 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [0,0,0,0,0,1|3,0,0]=4 994 B11R1.91 OC(=O)CCc1ccccn1 Amb1102533 [0,0,0,0,0,1|3,0,0]=4 995 B11R1.91 OC(=O)CCc1cccnc1 Amb1214870 [0,0,0,0,0,1|3,0,0]=4 996 B11R1.91 OC(=O)CCc1ccncc1 Amb1090849 [0,0,0,0,0,1|3,0,0]=4 997 B11R1.91 OC(=O)NCc1ccccc1 Amb10603977 [0,0,0,0,0,1|3,0,0]=4 998 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [0,0,0,0,0,1|3,0,0]=4 999 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [0,0,0,0,0,1|3,0,0]=4 1000 B11R1.91 SC(=S)OCc1ccccc1 Amb10553124 [0,0,0,0,0,1|2,1,0]=4 1001 B11R1.91 SC(=S)OCc1ccccc1 Amb25721135 [0,0,0,0,0,1|2,1,0]=4 1002 B11R1.91 [O-]C(=O)CCc1ccccc1 Amb22233349 [0,0,0,0,0,1|3,0,0]=4 1003 B11R1.91 [O-]P(=O)OCc1ccccc1 Amb22461723 [0,0,0,0,0,1|3,0,0]=4 1004 B11R1.172 C=C(Br)COCc1ccc[s]1 Amb24755971 [0,0,0,0,0,1|1,1,1]=4 1005 B11R1.172 C=C(Cl)CNCc1ccco1 Amb19004831 [0,0,0,0,0,1|2,0,1]=4 1006 B11R1.172 C=C(Cl)CSCc1ccco1 Amb24750899 [0,0,0,0,0,1|1,1,1]=4 1007 B11R1.172 CC(=C)CNCc1c[n]co1 Amb24755310 [0,0,0,0,0,1|3,0,0]=4 1008 B11R1.172 CC(=C)CNCc1ccc[nH]1 Amb24755292 [0,0,0,0,0,1|3,0,0]=4 1009 B11R1.172 CC(=C)CNCc1ccc[s]1 Amb18805734 [0,0,0,0,0,1|2,1,0]=4 1010 B11R1.172 CC(=C)CNCc1ccco1 Amb17308692 [0,0,0,0,0,1|2,0,0]=3 1011 B11R1.172 CC(=C)CSCc1cc[n]o1 Amb25372107 [0,0,0,0,0,1|2,1,0]=4 1012 B11R1.172 CC(=C)CSCc1ccco1 Amb25372097 [0,0,0,0,0,1|1,1,0]=3 1013 B11R1.172 CC(=N)NCCc1ccc[s]1 Amb25760789 [0,0,0,0,0,1|2,1,0]=4 1014 B11R1.172 CC(=N)NCCc1ccco1 Amb25807660 [0,0,0,0,0,1|2,0,0]=3 1015 B11R1.172 CC(=O)C=C=Cc1ccco1 Amb24689517 [0,0,0,0,0,1|1,0,1]=3 1016 B11R1.172 CC(=O)CCCc1c[n]c[s]1 Amb25379875 [0,0,0,0,0,1|2,1,0]=4 1017 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,1|1,0,0]=2 1018 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,1|1,1,0]=3 1019 B11R1.172 CC(=O)CCNc1[n]cc[s]1 Amb24422960 [0,0,0,0,0,1|2,1,0]=4 1020 B11R1.172 CC(=O)CCSc1[n]cc[s]1 Amb18317042 [0,0,0,0,0,1|2,1,0]=4 1021 B11R1.172 CC(=O)COCC=1CCCC1 Amb24765011 [0,0,0,0,0,1|1,0,2]=4 1022 B11R1.172 CC(=O)COCc1ccc[s]1 Amb18185636 [0,0,0,0,0,1|0,1,0]=2 1023 B11R1.172 CC(=O)COCc1ccco1 Amb18182896 [0,0,0,0,0,1|0,0,0]=1 1024 B11R1.172 CC(=O)N/N=C/c1ccc[nH]1 Amb17789549 [0,0,0,0,0,1|2,0,1]=4 1025 B11R1.172 CC(=O)NCC[n]1ccc[n]1 Amb23466811 [0,0,0,0,0,1|3,0,0]=4 1026 B11R1.172 CC(=O)NCCc1[n]c[n]o1 Amb25684118 [0,0,0,0,0,1|3,0,0]=4 1027 B11R1.172 CC(=O)NCCc1[n]cc[s]1 Amb24619343 [0,0,0,0,0,1|2,1,0]=4 1028 B11R1.172 CC(=O)NCCc1c[nH]cn1 Amb10567497 [0,0,0,0,0,1|3,0,0]=4 1029 B11R1.172 CC(=O)NCCc1cco[n]1 Amb25099237 [0,0,0,0,0,1|3,0,0]=4 1030 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [0,0,0,0,0,1|3,0,0]=4 1031 B11R1.172 CC(=O)NCCc1cscc1 Amb13821361 [0,0,0,0,0,1|3,0,0]=4 1032 B11R1.172 CC(=O)NCCn1cccc1 Amb2409180 [0,0,0,0,0,1|3,0,0]=4 1033 B11R1.172 CC(=O)NOCc1c[s]c[n]1 Amb25107404 [0,0,0,0,0,1|2,0,0]=3 1034 B11R1.172 CC(=O)NOCc1cc[n]o1 Amb25820933 [0,0,0,0,0,1|1,0,0]=2 1035 B11R1.172 CC(=O)N\C=C\c1ccc[s]1 Amb25041177 [0,0,0,0,0,1|1,1,1]=4 1036 B11R1.172 CC(=O)OCC[n]1c[n]c[n]1 Amb24756185 [0,0,0,0,0,1|3,0,0]=4 1037 B11R1.172 CC(=O)OCC[n]1c[n]cc1 Amb24756184 [0,0,0,0,0,1|3,0,0]=4 1038 B11R1.172 CC(=O)OCC[n]1ccc[n]1 Amb24756183 [0,0,0,0,0,1|2,0,0]=3 1039 B11R1.172 CC(=O)OCC[n]1cccc1 Amb25383043 [0,0,0,0,0,1|2,0,0]=3 1040 B11R1.172 CC(=O)OCCc1[n]cc[s]1 Amb24756182 [0,0,0,0,0,1|1,1,0]=3 1041 B11R1.172 CC(=O)OCCc1c[nH][n][n]1 Amb24756178 [0,0,0,0,0,1|3,0,0]=4 1042 B11R1.172 CC(=O)OCCc1c[nH][n]c1 Amb24756181 [0,0,0,0,0,1|3,0,0]=4 1043 B11R1.172 CC(=O)OCCc1c[n]c[nH]1 Amb25385267 [0,0,0,0,0,1|2,0,0]=3 1044 B11R1.172 CC(=O)OCCc1cc[s]c1 Amb24756180 [0,0,0,0,0,1|2,0,0]=3 1045 B11R1.172 CC(=O)OCCc1ccc[s]1 Amb24756179 [0,0,0,0,0,1|0,1,0]=2 1046 B11R1.172 CC(=O)O\N=C\c1ccc[nH]1 Amb25377470 [0,0,0,0,0,1|1,0,1]=3 1047 B11R1.172 CC(=O)SCCc1c[nH]c[n]1 Amb25385268 [0,0,0,0,0,1|2,1,0]=4 1048 B11R1.172 CC(=O)SCNc1[n]cc[s]1 Amb24715606 [0,0,0,0,0,1|1,2,0]=4 1049 B11R1.172 CC(C)CSCc1ccco1 Amb24766374 [0,0,0,0,0,1|1,1,1]=4 1050 B11R1.172 CC(C)ONCc1c[n]co1 Amb24762762 [0,0,0,0,0,1|2,0,1]=4 1051 B11R1.172 CC(C)ONCc1ccc[nH]1 Amb24762803 [0,0,0,0,0,1|2,0,1]=4 1052 B11R1.172 CC(C)ONCc1ccc[s]1 Amb24762834 [0,0,0,0,0,1|1,1,1]=4 1053 B11R1.172 CC(C)ONCc1ccco1 Amb24762805 [0,0,0,0,0,1|1,0,1]=3 1054 B11R1.172 CC(CCCc1ccco1)N Amb17232123 [0,0,0,0,0,1|2,0,1]=4 1055 B11R1.172 CC(CNCc1ccco1)C Amb1114742 [0,0,0,0,0,1|2,0,1]=4 1056 B11R1.172 CC(COCc1ccco1)N Amb1124133 [0,0,0,0,0,1|1,0,1]=3 1057 B11R1.172 CC(N)CNCc1ccco1 Amb18305276 [0,0,0,0,0,1|2,0,1]=4 1058 B11R1.172 CC(O)CNCc1ccco1 Amb21972189 [0,0,0,0,0,1|1,0,2]=4 1059 B11R1.172 CC(O)CSCc1ccco1 Amb18794396 [0,0,0,0,0,1|0,1,2]=4 1060 B11R1.172 CN(C)\C=N\Cc1ccco1 Amb25105730 [0,0,0,0,0,1|3,0,0]=4 1061 B11R1.172 C[C@@H](O)CSCc1ccco1 Amb24751285 [0,0,0,0,0,1|0,1,2]=4 1062 B11R1.172 C[C@H](O)CSCc1ccco1 Amb24751286 [0,0,0,0,0,1|0,1,2]=4 1063 B11R1.172 NC(=N)COCc1ccc[s]1 Amb18793656 [0,0,0,0,0,1|2,1,0]=4 1064 B11R1.172 NC(=N)NCCc1ccco1 Amb18181790 [0,0,0,0,0,1|3,0,0]=4 1065 B11R1.172 NC(=O)CCSc1ccc[s]1 Amb19070858 [0,0,0,0,0,1|2,1,0]=4 1066 B11R1.172 NC(=O)CNCc1c[n]co1 Amb18200483 [0,0,0,0,0,1|3,0,0]=4 1067 B11R1.172 NC(=O)CNCc1ccc[nH]1 Amb19035076 [0,0,0,0,0,1|3,0,0]=4 1068 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [0,0,0,0,0,1|2,0,0]=3 1069 B11R1.172 NC(=O)CNCc1cccs1 Amb1139535 [0,0,0,0,0,1|2,1,0]=4 1070 B11R1.172 NC(=O)COCc1[nH]cc[n]1 Amb24750945 [0,0,0,0,0,1|3,0,0]=4 1071 B11R1.172 NC(=O)COCc1ccc[s]1 Amb18806841 [0,0,0,0,0,1|1,1,0]=3 1072 B11R1.172 NC(=O)COCc1ccco1 Amb18182960 [0,0,0,0,0,1|1,0,0]=2 1073 B11R1.172 NC(=O)CSCc1ccco1 Amb18806883 [0,0,0,0,0,1|1,1,0]=3 1074 B11R1.172 NC(=O)NCCc1ccco1 Amb18182898 [0,0,0,0,0,1|2,0,0]=3 1075 B11R1.172 NC(=O)NCCc1cccs1 Amb1089616 [0,0,0,0,0,1|2,1,0]=4 1076 B11R1.172 NC(=O)NOCc1[n]cc[s]1 Amb25763565 [0,0,0,0,0,1|2,1,0]=4 1077 B11R1.172 NC(=O)NOCc1c[s]c[n]1 Amb25689574 [0,0,0,0,0,1|3,0,0]=4 1078 B11R1.172 NC(=O)NOCc1cco[n]1 Amb25668065 [0,0,0,0,0,1|3,0,0]=4 1079 B11R1.172 NC(=O)OCCc1[nH]cc[n]1 Amb24764779 [0,0,0,0,0,1|3,0,0]=4 1080 B11R1.172 NC(=O)O\N=C\c1ccco1 Amb24538169 [0,0,0,0,0,1|1,0,1]=3 1081 B11R1.172 NC(=S)COCc1ccc[s]1 Amb19059245 [0,0,0,0,0,1|1,2,0]=4 1082 B11R1.172 NC(=S)NCCc1ccco1 Amb18180268 [0,0,0,0,0,1|2,1,0]=4 1083 B11R1.172 O=C(Cl)CCSc1ccc[s]1 Amb24766295 [0,0,0,0,0,1|2,1,0]=4 1084 B11R1.172 OC(=O)C#CCc1ccc[s]1 Amb24644490 [0,0,0,0,0,1|2,1,0]=4 1085 B11R1.172 OC(=O)CC#Cc1ccco1 Amb25229145 [0,0,0,0,0,1|2,0,1]=4 1086 B11R1.172 OC(=O)CCCc1[n]cco1 Amb18559420 [0,0,0,0,0,1|3,0,0]=4 1087 B11R1.172 OC(=O)CCCc1c[n]co1 Amb18200538 [0,0,0,0,0,1|3,0,0]=4 1088 B11R1.172 OC(=O)CCCc1cc[n]o1 Amb18200545 [0,0,0,0,0,1|3,0,0]=4 1089 B11R1.172 OC(=O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,1|2,0,0]=3 1090 B11R1.172 OC(=O)CCCc1cccs1 Amb1152340 [0,0,0,0,0,1|2,1,0]=4 1091 B11R1.172 OC(=O)CCSc1[n]cco1 Amb24751282 [0,0,0,0,0,1|3,0,0]=4 1092 B11R1.172 OC(=O)CNCc1ccc[nH]1 Amb18308340 [0,0,0,0,0,1|3,0,0]=4 1093 B11R1.172 OC(=O)COCc1[n]c[n]o1 Amb18306338 [0,0,0,0,0,1|3,0,0]=4 1094 B11R1.172 OC(=O)COCc1[n]cc[s]1 Amb23570603 [0,0,0,0,0,1|2,1,0]=4 1095 B11R1.172 OC(=O)COCc1c[s]c[n]1 Amb24762009 [0,0,0,0,0,1|3,0,0]=4 1096 B11R1.172 OC(=O)COCc1ccc[s]1 Amb19015456 [0,0,0,0,0,1|1,1,0]=3 1097 B11R1.172 OC(=O)C\C=C\c1ccco1 Amb23441783 [0,0,0,0,0,1|2,0,1]=4 1098 B11R1.172 OC(=O)OCCc1cc[nH]c1 Amb24070008 [0,0,0,0,0,1|3,0,0]=4 1099 B11R1.172 OC(=O)\C=C\Cc1ccco1 Amb25060755 [0,0,0,0,0,1|2,0,0]=3 1100 B11R1.172 [O-]C(=O)COCc1ccco1 Amb10610157 [0,0,0,0,0,1|1,0,0]=2 1101 B8R0.4 C\C=C/C=C/CCC=O Amb25770156 [1,0,1,0,0,0|2,0,0]=4 1102 B8R0.4 C\C=C\C=C\CCC=O Amb25363492 [1,0,1,0,0,0|2,0,0]=4 1103 B8R0.4 O=CCCC=C\C=C\Cl Amb25173006 [1,0,1,0,0,0|2,0,0]=4 1104 B8R0.4 O=CCC\C=C/C=C/Cl Amb24480011 [1,0,1,0,0,0|2,0,0]=4 1105 B8R0.7 C=COCCOC(N)=O Amb24618036 [1,0,1,0,0,0|1,0,1]=4 1106 B8R0.7 C=C\C=C\CCC(N)=O Amb24531499 [1,0,1,0,0,0|2,0,0]=4 1107 B8R0.7 CC(=O)CC\C=C/C=C Amb24736163 [1,0,1,0,0,0|1,0,0]=3 1108 B8R0.7 CC(=O)CC\C=C\C=C Amb24686743 [1,0,1,0,0,0|1,0,0]=3 1109 B8R0.7 CC(=O)CC\C=C\CO Amb24614693 [1,0,1,0,0,0|0,0,2]=4 1110 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [1,0,1,0,0,0|1,0,1]=4 1111 B8R0.7 CC(=O)C\C=C/CC=C Amb24584479 [1,0,1,0,0,0|1,0,1]=4 1112 B8R0.7 CC(=O)NCOCC=C Amb25184395 [1,0,1,0,0,0|1,0,1]=4 1113 B8R0.7 CC(=O)NC\C=C\CO Amb24476627 [1,0,1,0,0,0|1,0,1]=4 1114 B8R0.7 CC(=O)OCC=C=CBr Amb24480154 [1,0,1,0,0,0|1,0,1]=4 1115 B8R0.7 CC(=O)OCC=C=CCl Amb25779945 [1,0,1,0,0,0|1,0,1]=4 1116 B8R0.7 CC(=O)OCCOC=C Amb24393798 [1,0,1,0,0,0|0,0,1]=3 1117 B8R0.7 CC(=O)OC\C=C/C=O Amb25119256 [1,0,1,0,0,0|0,0,1]=3 1118 B8R0.7 CC(=O)OC\C=C\C=O Amb18642582 [1,0,1,0,0,0|0,0,1]=3 1119 B8R0.7 CC(=O)\C=C/C=C\C=O Amb25239361 [1,0,1,0,0,0|0,0,2]=4 1120 B8R0.7 CC(=O)\C=C\C=C/C=C Amb25723853 [1,0,1,0,0,0|1,0,1]=4 1121 B8R0.7 CC(=O)\C=C\C=CC=C Amb24634570 [1,0,1,0,0,0|1,0,1]=4 1122 B8R0.7 CC(=O)\C=C\C=C\C=C Amb25707424 [1,0,1,0,0,0|1,0,1]=4 1123 B8R0.7 CC(=O)\C=C\C=C\C=O Amb18642168 [1,0,1,0,0,0|0,0,2]=4 1124 B8R0.7 C\C=C/OCCC(C)=O Amb25188590 [1,0,1,0,0,0|0,0,2]=4 1125 B8R0.7 C\C=C\C=C/CC(C)=O Amb25837209 [1,0,1,0,0,0|1,0,0]=3 1126 B8R0.7 C\C=C\OCCC(C)=O Amb24631670 [1,0,1,0,0,0|0,0,2]=4 1127 B8R0.7 OC(=O)CC\C=C\C=C Amb10605294 [1,0,1,0,0,0|2,0,0]=4 1128 B8R0.9 C=C(CCC(N)=O)C=C Amb25352097 [1,0,1,0,0,0|2,0,0]=4 1129 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [1,0,1,0,0,0|2,0,0]=4 1130 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [1,0,1,0,0,0|2,0,0]=4 1131 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [1,0,1,0,0,0|1,0,1]=4 1132 B8R0.9 CC(=O)CCC(O)C=C Amb24614737 [1,0,1,0,0,0|1,0,1]=4 1133 B8R0.9 CC(=O)OCC(=C)C=O Amb25050286 [1,0,1,0,0,0|1,0,0]=3 1134 B8R0.9 CC(=O)OCC(=C)CBr Amb25685305 [1,0,1,0,0,0|1,0,1]=4 1135 B8R0.9 CC(=O)OCC(=C)CC Amb24571642 [1,0,1,0,0,0|0,0,2]=4 1136 B8R0.9 CC(=O)OCC(=C)CCl Amb24409101 [1,0,1,0,0,0|1,0,1]=4 1137 B8R0.9 CC(=O)OCC(=O)C=C Amb17607380 [1,0,1,0,0,0|0,0,1]=3 1138 B8R0.9 CC(=O)OCC(Br)C=C Amb24480093 [1,0,1,0,0,0|1,0,1]=4 1139 B8R0.9 CC(=O)OC[C@H](O)C=C Amb24395445 [1,0,1,0,0,0|0,0,1]=3 1140 B8R0.9 C\C(\COC(C)=O)=C/Br Amb25200999 [1,0,1,0,0,0|1,0,1]=4 1141 B8R0.1 CCOCC(=C)CC=C Amb24589449 [1,0,1,0,0,0|1,0,1]=4 1142 B8R0.1 C\C(\CCC=O)=C/C=C Amb25227853 [1,0,1,0,0,0|2,0,0]=4 1143 B8R1.8 BrCCc1ccco1 Amb22752866 [2,0,0,0,0,0|1,0,1]=4 1144 B8R1.8 Br\C=C/c1ccco1 Amb24505348 [2,0,0,0,0,0|1,0,1]=4 1145 B8R1.8 C=CCc1ccc[nH]1 Amb25075519 [2,0,0,0,0,0|1,0,1]=4 1146 B8R1.8 C=CNc1ccco1 Amb24516221 [2,0,0,0,0,0|1,0,1]=4 1147 B8R1.8 CC#Cc1ccco1 Amb24596672 [2,0,0,0,0,0|0,0,2]=4 1148 B8R1.8 CCCc1ccco1 Amb10070288 [2,0,0,0,0,0|0,0,1]=3 1149 B8R1.8 CCOc1ccc[nH]1 Amb22756799 [2,0,0,0,0,0|1,0,1]=4 1150 B8R1.8 CCOc1ccco1 Amb25222294 [2,0,0,0,0,0|0,0,1]=3 1151 B8R1.8 CNCc1cc[n]o1 Amb22831413 [2,0,0,0,0,0|2,0,0]=4 1152 B8R1.8 CNCc1ccco1 Amb1153202 [2,0,0,0,0,0|1,0,0]=3 1153 B8R1.8 CNCc1cccs1 Amb1152299 [2,0,0,0,0,0|1,1,0]=4 1154 B8R1.8 COC[n]1ccc[n]1 Amb22546249 [2,0,0,0,0,0|2,0,0]=4 1155 B8R1.8 COC[n]1cccc1 Amb23401113 [2,0,0,0,0,0|2,0,0]=4 1156 B8R1.8 COCc1[n]cc[s]1 Amb24097144 [2,0,0,0,0,0|1,1,0]=4 1157 B8R1.8 COCc1c[n]c[nH]1 Amb22748650 [2,0,0,0,0,0|2,0,0]=4 1158 B8R1.8 COCc1cc[nH][n]1 Amb23536453 [2,0,0,0,0,0|2,0,0]=4 1159 B8R1.8 COCc1ccc[nH]1 Amb24715907 [2,0,0,0,0,0|1,0,0]=3 1160 B8R1.8 COCc1ccc[s]1 Amb25169518 [2,0,0,0,0,0|0,1,0]=3 1161 B8R1.8 COCc1ccco1 Amb24116969 [2,0,0,0,0,0|0,0,0]=2 1162 B8R1.8 COCc1coc[n]1 Amb24333768 [2,0,0,0,0,0|2,0,0]=4 1163 B8R1.8 COCc1cocc1 Amb25180531 [2,0,0,0,0,0|2,0,0]=4 1164 B8R1.8 CSCc1ccc[nH]1 Amb25082991 [2,0,0,0,0,0|1,1,0]=4 1165 B8R1.8 C[SiH2]Oc1ccco1 Amb25025922 [2,0,0,0,0,0|0,1,0]=3 1166 B8R1.8 C\C=C\c1c[n]co1 Amb25746946 [2,0,0,0,0,0|1,0,1]=4 1167 B8R1.8 C\C=C\c1ccco1 Amb25375449 [2,0,0,0,0,0|0,0,1]=3 1168 B8R1.8 C\N=C\c1ccco1 Amb25186851 [2,0,0,0,0,0|1,0,1]=4 1169 B8R1.8 ClCCc1ccco1 Amb24555129 [2,0,0,0,0,0|1,0,1]=4 1170 B8R1.8 ClSCc1ccco1 Amb24708258 [2,0,0,0,0,0|1,1,0]=4 1171 B8R1.8 Cl[Mg]Cc1ccco1 Amb20242525 [2,0,0,0,0,0|2,0,0]=4 1172 B8R1.8 Cl\C=C/c1ccco1 Amb25746738 [2,0,0,0,0,0|1,0,1]=4 1173 B8R1.8 I\C=C\c1ccco1 Amb24697510 [2,0,0,0,0,0|1,0,1]=4 1174 B8R1.8 NCCc1ccco1 Amb1080943 [2,0,0,0,0,0|1,0,1]=4 1175 B8R1.8 NCCc1ccco1 Amb22587649 [2,0,0,0,0,0|1,0,1]=4 1176 B8R1.8 NOCc1cc[n]o1 Amb24483082 [2,0,0,0,0,0|2,0,0]=4 1177 B8R1.8 NOCc1ccc[s]1 Amb25189036 [2,0,0,0,0,0|1,1,0]=4 1178 B8R1.8 NOCc1ccco1 Amb25141783 [2,0,0,0,0,0|1,0,0]=3 1179 B8R1.8 O=C=Cc1ccco1 Amb25025665 [2,0,0,0,0,0|0,0,2]=4 1180 B8R1.8 O=CC[n]1cccc1 Amb18203408 [2,0,0,0,0,0|2,0,0]=4 1181 B8R1.8 O=CCc1[n][n]co1 Amb22886659 [2,0,0,0,0,0|2,0,0]=4 1182 B8R1.8 O=CCc1c[nH]c[n]1 Amb18124130 [2,0,0,0,0,0|2,0,0]=4 1183 B8R1.8 O=CCc1c[n]co1 Amb24653904 [2,0,0,0,0,0|1,0,0]=3 1184 B8R1.8 O=CCc1c[s]c[n]1 Amb24469342 [2,0,0,0,0,0|2,0,0]=4 1185 B8R1.8 O=CCc1ccc[nH]1 Amb24763675 [2,0,0,0,0,0|1,0,0]=3 1186 B8R1.8 O=CCc1ccco1 Amb17089526 [2,0,0,0,0,0|0,0,0]=2 1187 B8R1.8 O=CCc1cccs1 Amb17089527 [2,0,0,0,0,0|0,1,0]=3 1188 B8R1.8 O=CCc1cocc1 Amb18641576 [2,0,0,0,0,0|2,0,0]=4 1189 B8R1.8 O=COc1[nH]cc[n]1 Amb25187018 [2,0,0,0,0,0|2,0,0]=4 1190 B8R1.8 O=COc1ccc[nH]1 Amb24756546 [2,0,0,0,0,0|1,0,0]=3 1191 B8R1.8 OCCc1ccco1 Amb17089516 [2,0,0,0,0,0|0,0,2]=4 1192 B8R1.8 ONCc1ccco1 Amb23449450 [2,0,0,0,0,0|1,0,1]=4 1193 B8R1.8 SCCc1ccco1 Amb24511324 [2,0,0,0,0,0|0,1,1]=4 1194 B8R1.8 [C-]#[N+]Cc1ccco1 Amb1981056 [2,0,0,0,0,0|1,0,1]=4 1195 B10R0.3 CC(=O)CC\C=C(\Cl)/C=C/C Amb24765314 [0,1,1,0,0,0|2,0,0]=4 1196 B10R0.4 C\C=C\C\C=C\CNC(C)=O Amb24765039 [0,1,1,0,0,0|2,0,0]=4 1197 B10R0.6 C\C=C\C=CC(O)CC(C)=O Amb25384027 [0,1,1,0,0,0|2,0,0]=4 1198 B10R0.74 C\C=C\C=C\COC(=O)CC Amb22730179 [0,1,1,0,0,0|1,0,0]=3 1199 B10R0.97 CC(C)=C\C=C\CCC(C)=O Amb24765277 [0,1,1,0,0,0|2,0,0]=4 1200 B10R0.32 CC(=O)NC(C)C(=O)OC=C Amb25385991 [0,1,1,0,0,0|2,0,0]=4 1201 B10R0.96 CC(=O)OCC(C)=CC(N)=O Amb25380510 [0,1,1,0,0,0|2,0,0]=4 1202 B10R1.11 C=CCC(N)c1ccco1 Amb18523799 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.11 C=CCC(O)c1ccco1 Amb22360627 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.11 C=CC[C@@H](N)c1ccco1 Amb22831172 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.11 C=CC[C@H](N)c1ccco1 Amb25146251 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.11 C=COC(=O)c1ccco1 Amb17934193 [1,1,0,0,0,0|0,0,2]=4 1207 B10R1.11 CC(CC=O)c1c[n]co1 Amb18643388 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.11 CC(CC=O)c1ccc[s]1 Amb18644676 [1,1,0,0,0,0|1,1,0]=4 1209 B10R1.11 CC(N=C=O)c1ccco1 Amb25702120 [1,1,0,0,0,0|1,0,1]=4 1210 B10R1.11 CC(NC=O)c1ccco1 Amb24462226 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.11 CCCC(N)c1ccco1 Amb18991109 [1,1,0,0,0,0|1,0,1]=4 1212 B10R1.11 CCCC(c1ccco1)Cl Amb17138479 [1,1,0,0,0,0|1,0,1]=4 1213 B10R1.11 CCC[C@@H](O)c1ccco1 Amb24371424 [1,1,0,0,0,0|1,0,1]=4 1214 B10R1.11 CCC[C@H](N)c1ccco1 Amb24627831 [1,1,0,0,0,0|1,0,1]=4 1215 B10R1.11 CCOC(O)c1ccco1 Amb24756827 [1,1,0,0,0,0|0,0,1]=3 1216 B10R1.11 CNC[C@H](O)c1ccco1 Amb24409577 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.11 COCC(c1ccco1)N Amb1126956 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.11 COC[C@@H](N)c1ccco1 Amb25378787 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.11 CSCC(N)c1ccco1 Amb24502407 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.11 CSCC(O)c1ccco1 Amb25703539 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.11 C[C@H](NC=O)c1ccc[s]1 Amb24363901 [1,1,0,0,0,0|1,1,0]=4 1222 B10R1.11 C[C@H](NC=O)c1ccco1 Amb24630915 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.11 C\C(=C/C=O)\c1ccco1 Amb18643065 [1,1,0,0,0,0|1,0,1]=4 1224 B10R1.11 C\C(=C\C=O)\c1ccco1 Amb24558002 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.11 O=CCC(c1ccco1)C Amb17593491 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.11 OC(CC=O)c1ccc[s]1 Amb25797666 [1,1,0,0,0,0|1,1,0]=4 1227 B10R1.11 OC(CC=O)c1ccco1 Amb24478201 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.16 C=CCCc1ccc(Br)o1 Amb25093846 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.16 C=COCc1ccc(I)o1 Amb25216266 [1,1,0,0,0,0|0,0,1]=3 1230 B10R1.16 CCCCc1ccc(I)o1 Amb25127159 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.16 CCNCc1ccc(Cl)o1 Amb18288966 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.16 CCNCc1ccc(N)o1 Amb18625539 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.16 CCOCc1cc(Br)[n]o1 Amb24388912 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.16 CCOCc1ccc(Br)o1 Amb24466863 [1,1,0,0,0,0|0,0,1]=3 1235 B10R1.16 CONCc1ccc(I)o1 Amb25059975 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.16 Cc1cc(CNC=O)o[n]1 Amb24436526 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.16 Cc1ccc(CCC=C)o1 Amb22339450 [1,1,0,0,0,0|1,0,1]=4 1238 B10R1.16 Cc1ccc(CCC=O)[s]1 Amb24720268 [1,1,0,0,0,0|1,1,0]=4 1239 B10R1.16 Cc1ccc(CCNC)o1 Amb25130668 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.16 Cc1ccc(CN=C=O)o1 Amb19648776 [1,1,0,0,0,0|1,0,1]=4 1241 B10R1.16 Cc1ccc(CNC=O)[s]1 Amb24468579 [1,1,0,0,0,0|1,1,0]=4 1242 B10R1.16 Cc1ccc(CNCC)o1 Amb21959933 [1,1,0,0,0,0|1,0,1]=4 1243 B10R1.16 Cc1ccc(CNOC)o1 Amb25782479 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.16 Cc1ccc(COCC)[s]1 Amb24627417 [1,1,0,0,0,0|0,1,1]=4 1245 B10R1.16 Cc1ccc(COCC)o1 Amb24579114 [1,1,0,0,0,0|0,0,1]=3 1246 B10R1.16 Cc1ccc(CSSC)o1 Amb22168242 [1,1,0,0,0,0|1,1,0]=4 1247 B10R1.16 Cc1ccc(o1)\C=C\C=O Amb17593442 [1,1,0,0,0,0|1,0,1]=4 1248 B10R1.16 O=C=NCc1ccc(Br)o1 Amb24646002 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.16 O=CC#Cc1ccc(Br)o1 Amb25683444 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.16 O=CCCc1ccc(Br)o1 Amb24690247 [1,1,0,0,0,0|1,0,0]=3 1251 B10R1.16 O=CCCc1ccc(Cl)[s]1 Amb18803947 [1,1,0,0,0,0|1,1,0]=4 1252 B10R1.16 O=CNCc1cc(Br)c[s]1 Amb25283437 [1,1,0,0,0,0|1,1,0]=4 1253 B10R1.16 O=CNCc1ccc(Br)o1 Amb25768269 [1,1,0,0,0,0|1,0,0]=3 1254 B10R1.16 O=C\C=C\c1ccc(Br)o1 Amb18130678 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.16 O=C\C=C\c1ccc(Cl)o1 Amb18644875 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.21 BrCCCCc1ccco1 Amb24477250 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.21 BrCCNCc1ccco1 Amb24431688 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.21 BrCCOCc1ccc[s]1 Amb24395674 [1,1,0,0,0,0|0,1,1]=4 1259 B10R1.21 C#CCOCc1ccco1 Amb25796269 [1,1,0,0,0,0|0,0,2]=4 1260 B10R1.21 C=CCNCc1ccco1 Amb19890257 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.21 CC#CCCc1ccco1 Amb25230049 [1,1,0,0,0,0|1,0,1]=4 1262 B10R1.21 CCC=CCc1ccco1 Amb24060828 [1,1,0,0,0,0|1,0,0]=3 1263 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,1,0,0,0,0|0,1,1]=4 1266 B10R1.21 CCOCSc1[n]cco1 Amb24676445 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.21 CCONCc1c[n]co1 Amb25105671 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.21 CCONCc1ccc[nH]1 Amb25685058 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.21 CCONCc1ccco1 Amb25764969 [1,1,0,0,0,0|0,0,1]=3 1270 B10R1.21 CC\C=C\Cc1ccco1 Amb24558353 [1,1,0,0,0,0|1,0,0]=3 1271 B10R1.21 COCOCc1ccc[s]1 Amb24571900 [1,1,0,0,0,0|0,1,1]=4 1272 B10R1.21 COCSCc1ccco1 Amb25185188 [1,1,0,0,0,0|0,1,1]=4 1273 B10R1.21 CSCOCc1ccc[s]1 Amb25197154 [1,1,0,0,0,0|0,1,1]=4 1274 B10R1.21 CSCSCc1ccco1 Amb25837770 [1,1,0,0,0,0|0,1,1]=4 1275 B10R1.21 C\C=C/C#Cc1ccco1 Amb25713093 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.21 ClCCNCc1ccco1 Amb17334486 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.21 ClCCOCc1ccc[s]1 Amb18795876 [1,1,0,0,0,0|0,1,1]=4 1279 B10R1.21 FCCNCc1ccco1 Amb25312860 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.21 NCCNCc1ccco1 Amb17091023 [1,1,0,0,0,0|1,0,1]=4 1281 B10R1.21 NCCOCc1cc[n]o1 Amb19015273 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.21 NCCOCc1ccc[s]1 Amb19033621 [1,1,0,0,0,0|0,1,1]=4 1283 B10R1.21 NCCOCc1ccco1 Amb1138811 [1,1,0,0,0,0|0,0,1]=3 1284 B10R1.21 O=C=NCCc1ccco1 Amb17231900 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.21 O=CCCCc1c[n]co1 Amb24478357 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.21 O=CCCCc1cccs1 Amb17089166 [1,1,0,0,0,0|1,1,0]=4 1287 B10R1.21 O=CCCSc1[n]cco1 Amb24646734 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.21 O=CCCSc1cccs1 Amb17082969 [1,1,0,0,0,0|1,1,0]=4 1289 B10R1.21 O=CCOCc1ccc[s]1 Amb18799681 [1,1,0,0,0,0|0,1,0]=3 1290 B10R1.21 O=CCOCc1ccco1 Amb24387199 [1,1,0,0,0,0|0,0,0]=2 1291 B10R1.21 O=CCSCc1ccco1 Amb18799684 [1,1,0,0,0,0|0,1,0]=3 1292 B10R1.21 O=CNCCc1ccc[nH]1 Amb25127273 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.21 O=CN\C=C\c1ccco1 Amb24502429 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.21 O=C\C=C\Cc1ccco1 Amb18643062 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,1,0,0,0,0|1,0,1]=4 1296 B10R1.21 OCCOCc1ccco1 Amb25853996 [1,1,0,0,0,0|0,0,1]=3 1297 B10R1.21 OC\C=C\Cc1ccco1 Amb25261764 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.21 SCCNCc1ccco1 Amb18644955 [1,1,0,0,0,0|1,0,1]=4 1300 B10R1.21 SCCOCc1ccco1 Amb25144979 [1,1,0,0,0,0|0,0,1]=3 1301 B10R1.27 C=CC(O)Cc1ccco1 Amb24509496 [1,1,0,0,0,0|1,0,1]=4 1302 B10R1.27 CC(Cc1ccc[s]1)C=O Amb18644678 [1,1,0,0,0,0|1,1,0]=4 1303 B10R1.27 CC(Cc1ccco1)C=O Amb18643240 [1,1,0,0,0,0|1,0,0]=3 1304 B10R1.27 CCC(=O)Cc1ccco1 Amb1102322 [1,1,0,0,0,0|1,0,1]=4 1305 B10R1.27 CCC(Cl)Cc1ccco1 Amb25086398 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.27 CN(Cc1ccco1)C=O Amb24619344 [1,1,0,0,0,0|1,0,0]=3 1307 B10R1.27 COC(=O)Cc1ccco1 Amb23455987 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.29 CNCCc1occc1Br Amb25374569 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.29 C[n]1cccc1CNC=O Amb24481280 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.29 Cc1cc[s]c1CNC=O Amb24360063 [1,1,0,0,0,0|1,1,0]=4 1311 B10R1.29 Cc1ccoc1CCNC Amb24608196 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.29 Cc1ccoc1CCOC Amb24611003 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.29 Cc1ccoc1CN=C=O Amb25057025 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.29 Cc1ccoc1CNC=O Amb24371375 [1,1,0,0,0,0|1,0,0]=3 1315 B10R1.29 Cc1ccoc1CNOC Amb25027668 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.29 Cc1ccoc1\C=C\C=O Amb25147762 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.29 O=C=NCc1occc1F Amb25246620 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.29 O=CCCc1[s]ccc1Br Amb25838062 [1,1,0,0,0,0|1,1,0]=4 1319 B10R1.23 CC(=C)C(=O)c1ccco1 Amb25114604 [0,1,0,0,1,0|1,0,1]=4 1320 B10R1.23 CC(=C)C(N)c1ccc[s]1 Amb25782577 [0,1,0,0,1,0|1,1,0]=4 1321 B10R1.23 CC(=C)C(O)c1ccco1 Amb24459650 [0,1,0,0,1,0|1,0,0]=3 1322 B10R1.23 CC(=C)[C@@H](O)c1ccc[s]1 Amb24618755 [0,1,0,0,1,0|1,1,0]=4 1323 B10R1.23 CC(=O)C(=O)c1cccs1 Amb17399955 [0,1,0,0,1,0|0,1,1]=4 1324 B10R1.23 CC(=O)C(C)c1cc[nH][n]1 Amb18832198 [0,1,0,0,1,0|2,0,0]=4 1325 B10R1.23 CC(=O)C(C)c1coc[n]1 Amb18832113 [0,1,0,0,1,0|2,0,0]=4 1326 B10R1.23 CC(=O)C(N)c1cc[nH]c1 Amb25042145 [0,1,0,0,1,0|2,0,0]=4 1327 B10R1.23 CC(=O)C(N)c1ccc[s]1 Amb25836886 [0,1,0,0,1,0|0,1,0]=3 1328 B10R1.23 CC(=O)C(O)c1cc[s]c1 Amb25146543 [0,1,0,0,1,0|2,0,0]=4 1329 B10R1.23 CC(=O)C(O)c1ccc[nH]1 Amb24465067 [0,1,0,0,1,0|1,0,0]=3 1330 B10R1.23 CC(=O)C(O)c1ccc[s]1 Amb25146757 [0,1,0,0,1,0|0,1,0]=3 1331 B10R1.23 CC(=O)C(c1cccs1)Cl Amb17477839 [0,1,0,0,1,0|0,1,0]=3 1332 B10R1.23 CC(=O)[C@@H](O)c1ccoc1 Amb24709030 [0,1,0,0,1,0|2,0,0]=4 1333 B10R1.23 CC(=O)[C@H](O)c1cc[s]c1 Amb25028160 [0,1,0,0,1,0|2,0,0]=4 1334 B10R1.23 CC(=O)[C@H](O)c1ccc[s]1 Amb25146548 [0,1,0,0,1,0|0,1,0]=3 1335 B10R1.23 CC(C(=O)Cl)c1ccc[s]1 Amb24638423 [0,1,0,0,1,0|1,1,0]=4 1336 B10R1.23 CC(C(C)N)c1ccco1 Amb18832017 [0,1,0,0,1,0|1,0,1]=4 1337 B10R1.23 CC(C(C)O)c1ccco1 Amb24464281 [0,1,0,0,1,0|0,0,2]=4 1338 B10R1.23 CC(C(N)=O)c1ccco1 Amb25106547 [0,1,0,0,1,0|1,0,0]=3 1339 B10R1.23 CC(C(O)=O)C=1CC=CC1 Amb24480439 [0,1,0,0,1,0|2,0,0]=4 1340 B10R1.23 CC(C(O)=O)c1ccc[nH]1 Amb18643379 [0,1,0,0,1,0|2,0,0]=4 1341 B10R1.23 CC(C(c1ccco1)Cl)C Amb17138478 [0,1,0,0,1,0|1,0,1]=4 1342 B10R1.23 CC(C(c1ccco1)N)O Amb17231927 [0,1,0,0,1,0|0,0,2]=4 1343 B10R1.23 CC(C(c1ccco1)O)C Amb17138390 [0,1,0,0,1,0|1,0,1]=4 1344 B10R1.23 CC(C)C(N)c1ccco1 Amb18283654 [0,1,0,0,1,0|1,0,1]=4 1345 B10R1.23 CC(C)[C@H](N)c1ccco1 Amb24381682 [0,1,0,0,1,0|1,0,1]=4 1346 B10R1.23 CC(N)C(O)c1ccco1 Amb18283444 [0,1,0,0,1,0|1,0,1]=4 1347 B10R1.23 CC(O)C(O)c1ccco1 Amb25725430 [0,1,0,0,1,0|0,0,2]=4 1348 B10R1.23 CC(O)[C@@H](N)c1ccco1 Amb25308045 [0,1,0,0,1,0|0,0,2]=4 1349 B10R1.23 CC(O)[C@H](N)c1ccco1 Amb24509149 [0,1,0,0,1,0|0,0,2]=4 1350 B10R1.23 CN(C)C(O)c1ccco1 Amb24406606 [0,1,0,0,1,0|2,0,0]=4 1351 B10R1.23 C[C@@H](O)[C@@H](N)c1ccco1 Amb24416826 [0,1,0,0,1,0|0,0,2]=4 1352 B10R1.23 C[C@@H](O)[C@H](O)c1ccco1 Amb25688681 [0,1,0,0,1,0|0,0,2]=4 1353 B10R1.23 C[C@H](C(O)=O)c1ccc[s]1 Amb24710020 [0,1,0,0,1,0|1,1,0]=4 1354 B10R1.23 C[C@H](N)[C@@H](N)c1ccco1 Amb24579953 [0,1,0,0,1,0|1,0,1]=4 1355 B10R1.23 NC(=O)C(Cl)c1ccc[s]1 Amb18808822 [0,1,0,0,1,0|1,1,0]=4 1356 B10R1.23 NC(=O)C(O)c1ccc[s]1 Amb18799782 [0,1,0,0,1,0|1,1,0]=4 1357 B10R1.23 NC(=O)C(O)c1ccco1 Amb25084322 [0,1,0,0,1,0|1,0,0]=3 1358 B10R1.23 NC(=O)C(c1ccco1)N Amb17334171 [0,1,0,0,1,0|1,0,0]=3 1359 B10R1.23 NC(=O)C(c1cccs1)N Amb17334394 [0,1,0,0,1,0|1,1,0]=4 1360 B10R1.23 NC(=O)[C@H](N)c1ccc[s]1 Amb25197626 [0,1,0,0,1,0|1,1,0]=4 1361 B10R1.23 NC(C(O)=O)c1cc[n]o1 Amb25843218 [0,1,0,0,1,0|2,0,0]=4 1362 B10R1.23 NC(C(O)=O)c1ccc[nH]1 Amb18831925 [0,1,0,0,1,0|2,0,0]=4 1363 B10R1.23 N[C@@H](C(O)=O)c1cc[n]o1 Amb24332272 [0,1,0,0,1,0|2,0,0]=4 1364 B10R1.23 N[C@@H](C(O)=O)c1ccc[s]1 Amb22747193 [0,1,0,0,1,0|1,1,0]=4 1365 B10R1.23 N[C@@H](C(O)=O)c1ccco1 Amb25068121 [0,1,0,0,1,0|1,0,0]=3 1366 B10R1.23 OC(=O)C(Br)c1cc[n]o1 Amb25123809 [0,1,0,0,1,0|2,0,0]=4 1367 B10R1.23 OC(=O)C(Br)c1ccc[s]1 Amb18658431 [0,1,0,0,1,0|1,1,0]=4 1368 B10R1.23 OC(=O)C(F)c1ccco1 Amb25825778 [0,1,0,0,1,0|1,0,0]=3 1369 B10R1.23 OC(=O)C(O)c1ccc[nH]1 Amb24480945 [0,1,0,0,1,0|2,0,0]=4 1370 B10R1.23 OC(=O)C(c1ccco1)C Amb17087431 [0,1,0,0,1,0|1,0,0]=3 1371 B10R1.23 OC(=O)C(c1cccs1)C Amb10844027 [0,1,0,0,1,0|1,1,0]=4 1372 B10R1.23 OC(=O)C(c1cccs1)Cl Amb17233234 [0,1,0,0,1,0|1,1,0]=4 1373 B10R1.23 OC(=O)C(c1cccs1)N Amb1840251 [0,1,0,0,1,0|1,1,0]=4 1374 B10R1.23 OC(=O)C(c1cccs1)O Amb17232241 [0,1,0,0,1,0|1,1,0]=4 1375 B10R1.23 OC(=O)[C@@H](c1cccs1)C Amb10844019 [0,1,0,0,1,0|1,1,0]=4 1376 B10R1.23 OC(=O)[C@H](O)c1ccco1 Amb24445445 [0,1,0,0,1,0|1,0,0]=3 1377 B10R1.54 CC(=O)CC1=CC(=O)NN1 Amb24665836 [0,1,0,0,1,0|2,0,0]=4 1378 B10R1.54 CC(=O)CC1CC(=O)C=C1 Amb25838767 [0,1,0,0,1,0|1,0,1]=4 1379 B10R1.54 CC(=O)C[n]1cc(Br)c[n]1 Amb22280402 [0,1,0,0,1,0|2,0,0]=4 1380 B10R1.54 CC(=O)C[n]1ccc(Br)[n]1 Amb25829624 [0,1,0,0,1,0|2,0,0]=4 1381 B10R1.54 CC(=O)C[n]1ccc(Cl)[n]1 Amb24632408 [0,1,0,0,1,0|2,0,0]=4 1382 B10R1.54 CC(=O)Cc1[n][n]c(Cl)o1 Amb25249548 [0,1,0,0,1,0|2,0,0]=4 1383 B10R1.54 CC(=O)Cc1[n][n]c(N)o1 Amb18643669 [0,1,0,0,1,0|2,0,0]=4 1384 B10R1.54 CC(=O)Cc1[n]c(Br)[n]o1 Amb18783668 [0,1,0,0,1,0|2,0,0]=4 1385 B10R1.54 CC(=O)Cc1c[n](C)cc1 Amb18243431 [0,1,0,0,1,0|2,0,0]=4 1386 B10R1.54 CC(=O)Cc1c[s]c(Br)[n]1 Amb18766886 [0,1,0,0,1,0|2,0,0]=4 1387 B10R1.54 CC(=O)Cc1c[s]c(N)[n]1 Amb18830764 [0,1,0,0,1,0|2,0,0]=4 1388 B10R1.54 CC(=O)Cc1cc(O)o[n]1 Amb24695828 [0,1,0,0,1,0|2,0,0]=4 1389 B10R1.54 CC(=O)Cc1ccc(Cl)[s]1 Amb18183807 [0,1,0,0,1,0|0,1,0]=3 1390 B10R1.54 CC(=O)Cc1ccc(o1)C Amb17477800 [0,1,0,0,1,0|0,0,0]=2 1391 B10R1.54 CC(=O)Cc1nnc(o1)C Amb10068140 [0,1,0,0,1,0|2,0,0]=4 1392 B10R1.54 CC(=O)Cc1onc(n1)C Amb10607317 [0,1,0,0,1,0|2,0,0]=4 1393 B10R1.54 CC(=O)Cn1ccc(n1)C Amb1945708 [0,1,0,0,1,0|2,0,0]=4 1394 B10R1.54 CC(=O)NC1=CC(=O)NO1 Amb24421196 [0,1,0,0,1,0|2,0,0]=4 1395 B10R1.54 CC(=O)NC1C=CC(=O)O1 Amb20246300 [0,1,0,0,1,0|1,0,1]=4 1396 B10R1.54 CC(=O)Nc1cc(Br)c[s]1 Amb23401695 [0,1,0,0,1,0|1,1,0]=4 1397 B10R1.54 CC(=O)Nc1cc(I)c[s]1 Amb23400215 [0,1,0,0,1,0|1,1,0]=4 1398 B10R1.54 CC(=O)Nc1cc(N)[n]o1 Amb22284518 [0,1,0,0,1,0|2,0,0]=4 1399 B10R1.54 CC(=O)Nc1ccc(Br)[s]1 Amb21864811 [0,1,0,0,1,0|1,1,0]=4 1400 B10R1.54 CC(=O)Nc1ccc(Cl)[s]1 Amb23401707 [0,1,0,0,1,0|1,1,0]=4 1401 B10R1.54 CC(=O)Nc1onc(c1)C Amb2444932 [0,1,0,0,1,0|2,0,0]=4 1402 B10R1.54 CC(=O)OC1C=CC(=O)N1 Amb24478982 [0,1,0,0,1,0|1,0,1]=4 1403 B10R1.54 CC(=O)OC1C=CC(=O)O1 Amb25367336 [0,1,0,0,1,0|0,0,1]=3 1404 B10R1.54 CC(=O)OC=1CCC(=O)C1 Amb25050258 [0,1,0,0,1,0|1,0,1]=4 1405 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)N1 Amb24538043 [0,1,0,0,1,0|1,0,1]=4 1406 B10R1.54 CC(=O)O[C@@H]1CC(=O)C=C1 Amb24183512 [0,1,0,0,1,0|1,0,1]=4 1407 B10R1.54 CC(=O)O[C@H]1CC(=O)C=C1 Amb25734052 [0,1,0,0,1,0|1,0,1]=4 1408 B10R1.54 CC(=O)Oc1[n]c(Br)c[s]1 Amb20617514 [0,1,0,0,1,0|1,1,0]=4 1409 B10R1.54 CC(=O)Oc1[n]cc(Br)[s]1 Amb20617501 [0,1,0,0,1,0|1,1,0]=4 1410 B10R1.54 CC(=O)Oc1cnc(s1)Br Amb10807804 [0,1,0,0,1,0|1,1,0]=4 1411 B10R1.54 CC(=O)\C=C\1/C=CC(=O)O1 Amb25143351 [0,1,0,0,1,0|0,0,1]=3 1412 B10R1.54 CC(C)=Cc1cc(Br)co1 Amb25178541 [0,1,0,0,1,0|1,0,1]=4 1413 B10R1.54 CC(C)Cc1ccc(Br)o1 Amb24318776 [0,1,0,0,1,0|1,0,1]=4 1414 B10R1.54 CC(C)Cc1ccc(N)o1 Amb18140336 [0,1,0,0,1,0|1,0,1]=4 1415 B10R1.54 CC(Cl)Cc1ccc(Br)o1 Amb24582404 [0,1,0,0,1,0|1,0,1]=4 1416 B10R1.54 CC(N)Cc1ccc(Cl)o1 Amb18285249 [0,1,0,0,1,0|1,0,1]=4 1417 B10R1.54 Cc1[n]c(CC(C)=O)c[s]1 Amb18791662 [0,1,0,0,1,0|2,0,0]=4 1418 B10R1.54 Cc1[n]cc(CC(C)=O)[s]1 Amb18062038 [0,1,0,0,1,0|1,1,0]=4 1419 B10R1.54 Cc1[n]cc(CC(O)=O)o1 Amb18202766 [0,1,0,0,1,0|2,0,0]=4 1420 B10R1.54 Cc1c[n]c(CC(C)=O)[s]1 Amb18830874 [0,1,0,0,1,0|1,1,0]=4 1421 B10R1.54 Cc1c[n]c(CC(C)=O)o1 Amb24360435 [0,1,0,0,1,0|1,0,0]=3 1422 B10R1.54 Cc1c[n]c(CC(O)=O)o1 Amb18831795 [0,1,0,0,1,0|2,0,0]=4 1423 B10R1.54 Cc1c[s]c(CC(C)=O)[n]1 Amb18791661 [0,1,0,0,1,0|1,1,0]=4 1424 B10R1.54 Cc1c[s]c(CC(C)=O)c1 Amb25146717 [0,1,0,0,1,0|0,1,0]=3 1425 B10R1.54 Cc1c[s]c(c1)NC(C)=O Amb25835677 [0,1,0,0,1,0|1,1,0]=4 1426 B10R1.54 Cc1cc(CC(=O)Cl)[s]c1 Amb24651189 [0,1,0,0,1,0|1,1,0]=4 1427 B10R1.54 Cc1cc(CC(=O)Cl)o[n]1 Amb25255353 [0,1,0,0,1,0|2,0,0]=4 1428 B10R1.54 Cc1cc(CC(C)=O)c[s]1 Amb25767094 [0,1,0,0,1,0|2,0,0]=4 1429 B10R1.54 Cc1cc(CC(O)=O)oc1 Amb18831942 [0,1,0,0,1,0|1,0,0]=3 1430 B10R1.54 Cc1ccc(CC(C)=C)[s]1 Amb25244717 [0,1,0,0,1,0|1,1,0]=4 1431 B10R1.54 Cc1ccc(CC(C)=O)[s]1 Amb25146673 [0,1,0,0,1,0|0,1,0]=3 1432 B10R1.54 Cc1ccc(CC(O)=O)[nH]1 Amb18832131 [0,1,0,0,1,0|2,0,0]=4 1433 B10R1.54 Cc1ccc(CC(O)=O)o1 Amb18960367 [0,1,0,0,1,0|1,0,0]=3 1434 B10R1.54 Cc1ccc(CS(C)=O)o1 Amb25270633 [0,1,0,0,1,0|1,0,0]=3 1435 B10R1.54 Cc1ccc(NC(C)=O)[s]1 Amb23447076 [0,1,0,0,1,0|1,1,0]=4 1436 B10R1.54 Cc1ccc(o1)OC(C)=O Amb24741995 [0,1,0,0,1,0|0,0,0]=2 1437 B10R1.54 Cc1ccc(s1)CC(=O)O Amb2234463 [0,1,0,0,1,0|1,1,0]=4 1438 B10R1.54 Cc1coc(CC(C)=O)c1 Amb24694278 [0,1,0,0,1,0|0,0,0]=2 1439 B10R1.54 Cc1coc(CC(C)C)c1 Amb25067836 [0,1,0,0,1,0|1,0,1]=4 1440 B10R1.54 Cc1coc(CC(O)=O)[n]1 Amb18831793 [0,1,0,0,1,0|2,0,0]=4 1441 B10R1.54 NC(=N)Cc1ccc(Br)o1 Amb25053239 [0,1,0,0,1,0|2,0,0]=4 1442 B10R1.54 NC(=O)CC1C=CC(=O)O1 Amb24382507 [0,1,0,0,1,0|1,0,1]=4 1443 B10R1.54 NC(=O)Cc1cc(Br)c[s]1 Amb18896728 [0,1,0,0,1,0|1,1,0]=4 1444 B10R1.54 NC(=O)Cc1ccc(s1)Br Amb17405436 [0,1,0,0,1,0|1,1,0]=4 1445 B10R1.54 NC(=O)Cc1ccc(s1)Cl Amb17400533 [0,1,0,0,1,0|1,1,0]=4 1446 B10R1.54 NC(=S)Cc1ccc(Br)o1 Amb25262447 [0,1,0,0,1,0|1,1,0]=4 1447 B10R1.54 Nc1[n]cc(CC(O)=O)o1 Amb18202644 [0,1,0,0,1,0|2,0,0]=4 1448 B10R1.54 Nc1cc(CC(O)=O)[s]c1 Amb18830633 [0,1,0,0,1,0|1,1,0]=4 1449 B10R1.54 Nc1cc(CC(O)=O)o[n]1 Amb18202643 [0,1,0,0,1,0|2,0,0]=4 1450 B10R1.54 OC(=O)CC1=CC(=O)NO1 Amb18831605 [0,1,0,0,1,0|2,0,0]=4 1451 B10R1.54 OC(=O)CC1=CCC(=O)O1 Amb25703174 [0,1,0,0,1,0|1,0,1]=4 1452 B10R1.54 OC(=O)CN1C=CC(=O)O1 Amb25340496 [0,1,0,0,1,0|2,0,0]=4 1453 B10R1.54 OC(=O)C[C@H]1C=CC(=O)O1 Amb25069009 [0,1,0,0,1,0|1,0,1]=4 1454 B10R1.54 OC(=O)Cc1[n]c(Cl)co1 Amb18829877 [0,1,0,0,1,0|2,0,0]=4 1455 B10R1.54 OC(=O)Cc1cc(Br)[n]o1 Amb24756693 [0,1,0,0,1,0|2,0,0]=4 1456 B10R1.54 OC(=O)Cc1cc(Cl)[n]o1 Amb18645562 [0,1,0,0,1,0|2,0,0]=4 1457 B10R1.54 OC(=O)Cc1cc(cs1)Br Amb10069924 [0,1,0,0,1,0|1,1,0]=4 1458 B10R1.54 OC(=O)Cc1ccc(Br)[nH]1 Amb25090619 [0,1,0,0,1,0|2,0,0]=4 1459 B10R1.54 OC(=O)Cc1ccc(F)[s]1 Amb24269131 [0,1,0,0,1,0|1,1,0]=4 1460 B10R1.54 OC(=O)Cc1ccc(F)o1 Amb25842555 [0,1,0,0,1,0|1,0,0]=3 1461 B10R1.54 OC(=O)Cc1ccc(I)o1 Amb24622567 [0,1,0,0,1,0|1,0,0]=3 1462 B10R1.54 OC(=O)Cc1ccc(s1)Br Amb2237320 [0,1,0,0,1,0|1,1,0]=4 1463 B10R1.54 OC(=O)Cc1ccc(s1)Cl Amb2235520 [0,1,0,0,1,0|1,1,0]=4 1464 B10R1.54 OC(=O)\C=C\1/C=CC(=O)O1 Amb18643475 [0,1,0,0,1,0|1,0,1]=4 1465 B10R1.54 Oc1c[s]c(CC(O)=O)c1 Amb25338381 [0,1,0,0,1,0|1,1,0]=4 1466 B10R1.64 CC(=C)CN1OC=CC1=O Amb25028056 [0,1,0,0,1,0|2,0,0]=4 1467 B10R1.64 CC(=C)Cc1[s]ccc1I Amb25178858 [0,1,0,0,1,0|1,1,0]=4 1468 B10R1.64 CC(=O)CC1CC=CC1=O Amb25791854 [0,1,0,0,1,0|1,0,1]=4 1469 B10R1.64 CC(=O)Cc1[n]cc[n]1C Amb24567014 [0,1,0,0,1,0|2,0,0]=4 1470 B10R1.64 CC(=O)Cc1ccc[n]1C Amb25053401 [0,1,0,0,1,0|1,0,0]=3 1471 B10R1.64 CC(=O)Cc1sccc1C Amb17477801 [0,1,0,0,1,0|0,1,0]=3 1472 B10R1.64 CC(=O)Cn1nccc1C Amb1945402 [0,1,0,0,1,0|2,0,0]=4 1473 B10R1.64 CC(=O)Nc1[s]ccc1Cl Amb23400211 [0,1,0,0,1,0|1,1,0]=4 1474 B10R1.64 CC(=O)Nc1[s]ccc1F Amb24072189 [0,1,0,0,1,0|1,1,0]=4 1475 B10R1.64 CC(=O)Nc1[s]ccc1I Amb23400212 [0,1,0,0,1,0|1,1,0]=4 1476 B10R1.64 CC(=O)Nc1ccc[n]1C Amb25138365 [0,1,0,0,1,0|2,0,0]=4 1477 B10R1.64 CC(=O)O[C@@H]1CC=CC1=O Amb25714406 [0,1,0,0,1,0|1,0,1]=4 1478 B10R1.64 CC(=O)O[C@H]1CC=CC1=O Amb24631585 [0,1,0,0,1,0|1,0,1]=4 1479 B10R1.64 CC(=O)Oc1sccc1N Amb10071362 [0,1,0,0,1,0|0,1,0]=3 1480 B10R1.64 CC(=O)Oc1scnc1C Amb15691845 [0,1,0,0,1,0|1,1,0]=4 1481 B10R1.64 C[n]1cccc1CC(N)=O Amb23459725 [0,1,0,0,1,0|2,0,0]=4 1482 B10R1.64 Cc1c[n]oc1CC(O)=O Amb18202779 [0,1,0,0,1,0|2,0,0]=4 1483 B10R1.64 Cc1c[s]cc1CC(C)=O Amb25178146 [0,1,0,0,1,0|2,0,0]=4 1484 B10R1.64 Cc1cc[nH]c1CC(O)=O Amb23440860 [0,1,0,0,1,0|2,0,0]=4 1485 B10R1.64 Cc1cc[s]c1CC(=O)Cl Amb25223959 [0,1,0,0,1,0|1,1,0]=4 1486 B10R1.64 Cc1cc[s]c1OC(C)=O Amb25377440 [0,1,0,0,1,0|0,1,0]=3 1487 B10R1.64 Cc1ccoc1CC(C)N Amb25134343 [0,1,0,0,1,0|1,0,1]=4 1488 B10R1.64 Cc1ccoc1OC(C)C Amb25195526 [0,1,0,0,1,0|1,0,1]=4 1489 B10R1.64 Cc1cocc1CC(C)=O Amb25268299 [0,1,0,0,1,0|2,0,0]=4 1490 B10R1.64 Cc1ncoc1CC(=O)O Amb17399865 [0,1,0,0,1,0|2,0,0]=4 1491 B10R1.64 Nc1cc[nH]c1CC(N)=O Amb18832087 [0,1,0,0,1,0|2,0,0]=4 1492 B10R1.64 Nc1cc[s]c1CC(O)=O Amb22499925 [0,1,0,0,1,0|1,1,0]=4 1493 B10R1.64 Nc1ccoc1CC(O)=O Amb18202764 [0,1,0,0,1,0|1,0,0]=3 1494 B10R1.64 OC(=O)Cc1[s]ccc1Br Amb18283686 [0,1,0,0,1,0|1,1,0]=4 1495 B10R1.64 OC(=O)Cc1[s]ccc1F Amb25088269 [0,1,0,0,1,0|1,1,0]=4 1496 B10R1.64 OC(=O)Cc1o[n]cc1Br Amb25223827 [0,1,0,0,1,0|2,0,0]=4 1497 B10R1.64 OC(=O)Cc1occc1Br Amb18176122 [0,1,0,0,1,0|1,0,0]=3 1498 B10R1.64 OC(=O)Cc1occc1F Amb25133593 [0,1,0,0,1,0|1,0,0]=3 1499 B10R1.281 CS(=O)(=O)Cc1ccco1 Amb25377297 [0,1,0,0,1,0|1,0,0]=3 1500 B10R1.281 C[N+](C)(C)Cc1ccco1 Amb24567272 [0,1,0,0,1,0|2,0,0]=4 1501 B10R1.281 OP(O)(=O)Cc1ccco1 Amb24734548 [0,1,0,0,1,0|2,0,0]=4 1502 B12R1.21 CC(=O)CCC=1C=CC(=O)NC1 Amb24346528 [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.21 CC(=O)CCc1ccc(Br)c[n]1 Amb25729593 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.21 CC(=O)CCc1ccc(Cl)[n]c1 Amb25725533 [0,1,0,0,0,1|2,0,0]=4 1505 B12R1.21 CC(=O)NCC=1C=CC(=O)NC1 Amb25232374 [0,1,0,0,0,1|2,0,0]=4 1506 B12R1.21 CC(=O)NCc1[n]cc(Cl)c[n]1 Amb24624702 [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.21 CC(=O)NCc1ccc(Br)cc1 Amb20622638 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.21 CC(=O)NCc1ccc(cc1)O Amb10549495 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.21 CC(=O)NCc1ccc(cn1)N Amb13890645 [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.21 CC(=O)NCc1ccc(nc1)Cl Amb10608428 [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.21 CC(=O)OCC=1C=NC(=O)CC1 Amb24425470 [0,1,0,0,0,1|1,0,1]=4 1512 B12R1.21 CC(=O)OCc1c[n]c(Cl)c[n]1 Amb25296915 [0,1,0,0,0,1|1,0,0]=3 1513 B12R1.21 CC(=O)OCc1c[n]c(N)c[n]1 Amb25808752 [0,1,0,0,0,1|1,0,0]=3 1514 B12R1.21 CC(=O)OCc1ccc(Cl)[n][n]1 Amb24596102 [0,1,0,0,0,1|1,0,0]=3 1515 B12R1.21 CC(=O)OCc1ccc(Cl)c[n]1 Amb25220252 [0,1,0,0,0,1|1,0,0]=3 1516 B12R1.21 CC(=O)OCc1ccc(I)cc1 Amb25687671 [0,1,0,0,0,1|1,0,0]=3 1517 B12R1.21 CC(=O)OCc1ccc(N)[n]c1 Amb24689359 [0,1,0,0,0,1|1,0,0]=3 1518 B12R1.21 CC(=O)OCc1ccc(N)c[n]1 Amb20248322 [0,1,0,0,0,1|1,0,0]=3 1519 B12R1.21 CC(=O)OCc1ccc(O)c[n]1 Amb18646673 [0,1,0,0,0,1|1,0,0]=3 1520 B12R1.21 CC(=O)OCc1ccc(O)cc1 Amb18646455 [0,1,0,0,0,1|1,0,0]=3 1521 B12R1.21 CC(=O)OCc1ccc(cc1)Cl Amb2421366 [0,1,0,0,0,1|1,0,0]=3 1522 B12R1.21 CC(=O)ONc1ccc(Cl)c[n]1 Amb20247510 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.21 CC(=O)ONc1ccc(O)cc1 Amb24497023 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.21 CC(=O)OOc1ccc(N)cc1 Amb22233285 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.21 CC(=O)O[Hg]c1ccc(N)cc1 Amb22351859 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.21 CC(=O)SCc1ccc(Br)cc1 Amb22338619 [0,1,0,0,0,1|1,1,0]=4 1527 B12R1.21 CC(=O)SCc1ccc(Cl)[n]c1 Amb25223594 [0,1,0,0,0,1|1,1,0]=4 1528 B12R1.21 CC(=O)SCc1ccc(N)[n]c1 Amb24388564 [0,1,0,0,0,1|1,1,0]=4 1529 B12R1.21 CC=1C=CC(COC(C)=O)ON1 Amb25728411 [0,1,0,0,0,1|0,0,1]=3 1530 B12R1.21 Cc1c[n]c(COC(C)=O)c[n]1 Amb25065213 [0,1,0,0,0,1|1,0,0]=3 1531 B12R1.21 Cc1ccc(CCC(C)=O)c[n]1 Amb25197877 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.21 Cc1ccc(CNC(C)=O)[n][n]1 Amb24617067 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.21 Cc1ccc(CNC(C)=O)[n]c1 Amb25799544 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.21 Cc1ccc(COC(C)=O)[n]c1 Amb24086564 [0,1,0,0,0,1|1,0,0]=3 1535 B12R1.21 Cc1ccc(COC(C)=O)c[n]1 Amb22750507 [0,1,0,0,0,1|1,0,0]=3 1536 B12R1.21 Cc1ccc(cc1)NOC(C)=O Amb24073550 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.21 NC(=O)OCc1ccc(Cl)cc1 Amb25737813 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.21 O=C(Cl)OCc1ccc(Br)cc1 Amb22059767 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.21 O=C(Cl)OCc1ccc(F)cc1 Amb24471576 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.27 BrCC(=O)NCc1ccccc1 Amb2221074 [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.27 BrCC(=O)NCc1ccccn1 Amb15701346 [0,1,0,0,0,1|2,0,0]=4 1542 B12R1.27 BrCC(=O)NCc1cccnc1 Amb17332390 [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.27 BrCC(=O)NCc1ccncc1 Amb17328296 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.27 C#CC(=O)OCc1ccccc1 Amb24057136 [0,1,0,0,0,1|1,0,1]=4 1545 B12R1.27 C=CC(=O)OCc1ccccc1 Amb10807780 [0,1,0,0,0,1|1,0,1]=4 1546 B12R1.27 CC(C=O)OCc1ccccc1 Amb18646071 [0,1,0,0,0,1|1,0,1]=4 1547 B12R1.27 CCC(=O)NCc1cc[n]c[n]1 Amb24693514 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.27 CCC(=O)NCc1ccc[n][n]1 Amb25303777 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.27 CCC(=O)NCc1ccccn1 Amb17736593 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.27 CCC(=O)NCc1ccncc1 Amb17798077 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.27 CCC(=O)O[Hg]c1ccccc1 Amb22359615 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.27 CNC(=O)NCc1c[n]cc[n]1 Amb25690867 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.27 CNC(=O)NCc1cc[n]c[n]1 Amb24415772 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.27 CNC(=O)NCc1ccccc1 Amb2132763 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.27 CNC(=O)NCc1ccccn1 Amb2132790 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.27 CNC(=O)NCc1cccnc1 Amb2132774 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.27 CNC(=O)NCc1ccncc1 Amb2132791 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.27 CNC(=O)OCc1ccc[n]c1 Amb24532586 [0,1,0,0,0,1|1,0,0]=3 1559 B12R1.27 CNC(=O)SCc1cccc[n]1 Amb25054647 [0,1,0,0,0,1|1,1,0]=4 1560 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.27 COC(=O)NCc1cc[n]c[n]1 Amb25321776 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.27 COC(=O)NCc1ccccn1 Amb17736865 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.27 COC(=O)NCc1cccnc1 Amb17790231 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,1,0,0,0,1|1,0,0]=3 1565 B12R1.27 CSC(=O)NCc1ccccc1 Amb24495681 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.27 C[C@H](C=O)OCc1ccccc1 Amb25326165 [0,1,0,0,0,1|1,0,1]=4 1567 B12R1.27 C\C(\C=O)=C/Cc1ccccc1 Amb18645371 [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.27 C\C(\C=O)=C\Cc1ccccc1 Amb24418390 [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.27 ClCC(=O)CCc1ccccc1 Amb17139043 [0,1,0,0,0,1|2,0,0]=4 1570 B12R1.27 ClCC(=O)NCc1ccccn1 Amb1651007 [0,1,0,0,0,1|2,0,0]=4 1571 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.27 NCC(=O)NCc1c[n]cc[n]1 Amb21861910 [0,1,0,0,0,1|2,0,0]=4 1573 B12R1.27 NCC(=O)NCc1c[n]ccc1 Amb21959050 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.27 NCC(=O)NCc1c[n]ccc1 Amb21987915 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.27 NCC(=O)NCc1cc[n]c[n]1 Amb24678403 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.27 NCC(=O)NCc1cccc[n]1 Amb21959064 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.27 NCC(=O)NCc1ccncc1 Amb13951584 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.27 NCC(=O)OCc1ccccc1 Amb1207685 [0,1,0,0,0,1|1,0,0]=3 1579 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [0,1,0,0,0,1|1,0,0]=3 1580 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [0,1,0,0,0,1|1,0,0]=3 1581 B12R1.27 O=C(C=O)OCc1ccccc1 Amb18645967 [0,1,0,0,0,1|1,0,1]=4 1582 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.27 O=C(CBr)NCc1cccc[n]1 Amb22587297 [0,1,0,0,0,1|2,0,0]=4 1584 B12R1.27 O=C(CCl)NCc1c[n]cc[n]1 Amb21861929 [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.27 O=C(CCl)NCc1ccc[n]c1 Amb19373274 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [0,1,0,0,0,1|1,0,0]=3 1588 B12R1.27 O=C(CS)NCc1cc[n]cc1 Amb24483850 [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.27 O=C(CS)NCc1ccc[n][n]1 Amb25100189 [0,1,0,0,0,1|2,0,0]=4 1590 B12R1.27 O=C(CS)NCc1cccc[n]1 Amb25669641 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.27 O=C(NCl)OCc1ccccc1 Amb21948731 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.27 O=C[C@@H](OCc1ccccc1)C Amb17609288 [0,1,0,0,0,1|1,0,1]=4 1593 B12R1.27 OCC(=O)CCc1cc[n]cc1 Amb18563675 [0,1,0,0,0,1|2,0,0]=4 1594 B12R1.27 OCC(=O)CCc1ccc[n]c1 Amb18563674 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.27 OCC(=O)CCc1cccc[n]1 Amb18563673 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.27 OCC(=O)CCc1ccccc1 Amb18563609 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.27 OCC(=O)NCc1ccccc1 Amb1111331 [0,1,0,0,0,1|2,0,0]=4 1598 B12R1.27 OCC(=O)NCc1ccccn1 Amb17334667 [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.27 OCC(=O)NCc1cccnc1 Amb17334668 [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.27 OCC(=O)NCc1ccncc1 Amb17334669 [0,1,0,0,0,1|2,0,0]=4 1601 B12R1.27 ONC(=O)OCc1ccccc1 Amb2445312 [0,1,0,0,0,1|2,0,0]=4 1602 B12R1.43 BrC(C(=O)C)Cc1ccccc1 Amb17507835 [0,1,0,0,0,1|2,0,0]=4 1603 B12R1.43 BrC(C(=O)C)Cc1ccncc1 Amb17507815 [0,1,0,0,0,1|2,0,0]=4 1604 B12R1.43 CC(=O)C(=O)Cc1c[n]ccc1 Amb24556780 [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.43 CC(=O)C(=O)Cc1cc[n]cc1 Amb24555440 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.43 CC(=O)C(C)Cc1cc[n]cc1 Amb25303664 [0,1,0,0,0,1|2,0,0]=4 1608 B12R1.43 CC(=O)C(Cc1ccccn1)Br Amb17507813 [0,1,0,0,0,1|2,0,0]=4 1609 B12R1.43 CC(=O)C(Cc1ccccn1)Cl Amb17507767 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.43 CC(=O)C(Cc1cccnc1)Br Amb17507814 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.43 CC(=O)C(Cc1cccnc1)Cl Amb17507768 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.43 CC(=O)N(C)Cc1c[n]cc[n]1 Amb25688593 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.43 CC(=O)N(C)Cc1cc[n]cc1 Amb25152576 [0,1,0,0,0,1|2,0,0]=4 1615 B12R1.43 CC(=O)N(O)Cc1ccccc1 Amb25297453 [0,1,0,0,0,1|2,0,0]=4 1616 B12R1.43 CC(=O)[C@@H](C)Cc1cc[n]cc1 Amb25358977 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.43 CC(=O)[C@@H](C)Cc1ccccc1 Amb24356281 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.43 CC(=O)[C@@H](Cl)Cc1ccccc1 Amb24595784 [0,1,0,0,0,1|2,0,0]=4 1619 B12R1.43 CC(=O)[C@@H](O)Cc1ccccc1 Amb24722888 [0,1,0,0,0,1|2,0,0]=4 1620 B12R1.43 CC(=O)[C@H](C)Cc1cc[n]cc1 Amb24380859 [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.43 CC(=O)[C@H](C)Cc1ccccc1 Amb25233687 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.43 CC(C(=O)C)Cc1ccccc1 Amb17232407 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.43 ClC(C(=O)C)Cc1ccccc1 Amb17204329 [0,1,0,0,0,1|2,0,0]=4 1624 B12R1.43 ClC(C(=O)C)Cc1ccncc1 Amb17507769 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.43 NC(C(=O)C)Cc1ccccc1 Amb1099237 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.107 CC(=O)CC(C)c1c[n]ccc1 Amb24691286 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.107 CC(=O)CC(C)c1cc[n]c[n]1 Amb24580545 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.107 CC(=O)CC(C)c1cccc[n]1 Amb24370168 [0,1,0,0,0,1|2,0,0]=4 1629 B12R1.107 CC(=O)CC(c1ccccn1)O Amb1016907 [0,1,0,0,0,1|2,0,0]=4 1630 B12R1.107 CC(=O)C[C@@H](O)c1cccc[n]1 Amb25319984 [0,1,0,0,0,1|2,0,0]=4 1631 B12R1.107 CC(=O)C[C@H](C)c1c[n]ccc1 Amb25714386 [0,1,0,0,0,1|2,0,0]=4 1632 B12R1.107 CC(=O)NC(C)c1cc[n]cc1 Amb25150955 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.107 CC(=O)NC(C)c1cccc[n]1 Amb25150956 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.107 CC(=O)N[C@@H](C)c1cccc[n]1 Amb25134946 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.107 CC(=O)N[C@H](C)c1cccc[n]1 Amb24659356 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.107 CC(=O)OC(=C)c1ccccc1 Amb22730633 [0,1,0,0,0,1|1,0,1]=4 1637 B12R1.107 CC(=O)OC(=O)c1ccccc1 Amb17678790 [0,1,0,0,0,1|1,0,1]=4 1638 B12R1.107 CC(=O)OC(C)c1c[n]ccc1 Amb25723772 [0,1,0,0,0,1|1,0,0]=3 1639 B12R1.107 CC(=O)O[C@@H](C)c1c[n]cc[n]1 Amb24676447 [0,1,0,0,0,1|1,0,0]=3 1640 B12R1.107 CC(=O)O[C@@H](C)c1ccccc1 Amb25144207 [0,1,0,0,0,1|1,0,0]=3 1641 B12R1.107 CC(=O)O[C@H](C)c1c[n]cc[n]1 Amb24473985 [0,1,0,0,0,1|1,0,0]=3 1642 B12R1.107 CC(=O)O[C@H](C)c1ccccc1 Amb25160190 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.107 CC(OC(C)=O)c1ccccn1 Amb17912737 [0,1,0,0,0,1|1,0,0]=3 1644 B12R1.107 CC(OC(C)=O)c1ccncc1 Amb17689315 [0,1,0,0,0,1|1,0,0]=3 1645 B12R1.125 CC(=O)CCC1=CC=CNC1=O Amb24404877 [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.125 CC(=O)CCc1[n]cccc1Br Amb25703295 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.125 CC(=O)CCc1[n]cccc1O Amb24537666 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.125 CC(=O)CCc1c[n]ccc1Cl Amb25044219 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.125 CC(=O)CCc1cc[n]cc1Cl Amb24678607 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.125 CC(=O)CCc1ccc[n]c1Cl Amb25731066 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.125 CC(=O)CCc1ccc[n]c1N Amb25687160 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.125 CC(=O)CCc1ccccc1O Amb17507153 [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.125 CC(=O)NCc1[n]cc[n]c1Cl Amb24639078 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.125 CC(=O)NCc1[n]cccc1F Amb25333132 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.125 CC(=O)NCc1[n]cccc1O Amb25688352 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.125 CC(=O)NCc1ccc[n]c1F Amb24458330 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.125 CC(=O)NCc1ccccc1Br Amb2134482 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.125 CC(=O)NCc1ccccc1F Amb2020110 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.125 CC(=O)NCc1ccccc1N Amb18284299 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.125 CC(=O)NCc1ccccc1O Amb18646279 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.125 CC(=O)NCc1cnccc1C Amb17778543 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.125 CC(=O)OCC1OCC=CC1O Amb25343702 [0,1,0,0,0,1|0,0,2]=4 1663 B12R1.125 CC(=O)OCN1C=NC=CC1=O Amb24351758 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.125 CC(=O)OCc1c[n]c[n]c1N Amb25829653 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.125 CC(=O)OCc1cc[n]cc1Br Amb25159749 [0,1,0,0,0,1|1,0,0]=3 1666 B12R1.125 CC(=O)OCc1cccc[n+]1C Amb10553787 [0,1,0,0,0,1|1,0,0]=3 1667 B12R1.125 CC(=O)OCc1ccccc1C Amb17778968 [0,1,0,0,0,1|1,0,0]=3 1668 B12R1.125 CC(=O)OCc1ccccc1F Amb25788639 [0,1,0,0,0,1|1,0,0]=3 1669 B12R1.125 CC(=O)OCc1ccccc1O Amb18646465 [0,1,0,0,0,1|1,0,0]=3 1670 B12R1.125 CC(=O)SCc1ccc[n]c1N Amb24518695 [0,1,0,0,0,1|1,1,0]=4 1671 B12R1.125 CC(=O)SCc1ccccc1F Amb22231630 [0,1,0,0,0,1|1,1,0]=4 1672 B12R1.125 Cc1[n]cccc1CCC(C)=O Amb25859556 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.125 Cc1[n]cccc1COC(C)=O Amb22750508 [0,1,0,0,0,1|1,0,0]=3 1674 B12R1.125 Cc1ccc[n]c1CNC(C)=O Amb22584206 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.125 Cc1ccc[n]c1COC(C)=O Amb24063548 [0,1,0,0,0,1|1,0,0]=3 1676 B12R1.125 Cc1ccccc1CNC(C)=O Amb24721874 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.125 Cc1ccccc1COC(N)=O Amb25152446 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.125 Cc1ccccc1CSC(C)=O Amb22231631 [0,1,0,0,0,1|1,1,0]=4 1679 B12R1.125 O=C(Cl)OCc1ccccc1Br Amb20620406 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.125 O=C(Cl)OCc1ccccc1Cl Amb21618686 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.125 O=C(Cl)OCc1ccccc1F Amb25039104 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.226 CC(=O)CCc1c[n]cc(F)c1 Amb25034788 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.226 CC(=O)CCc1cc[n]c(N)[n]1 Amb25174408 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.226 CC(=O)CCc1cccc(O)[n]1 Amb24605336 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.226 CC(=O)CCc1cccc(O)c1 Amb18646057 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.226 CC(=O)NCC1=CC(=O)NC=C1 Amb25227214 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.226 CC(=O)NCC1=CC=CC(=O)N1 Amb25256952 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.226 CC(=O)NCC1CC=CC(=O)O1 Amb24496846 [0,1,0,0,0,1|1,0,1]=4 1689 B12R1.226 CC(=O)NCc1c[n]cc(Br)c1 Amb22276859 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.226 CC(=O)NCc1cc[n]c(Cl)[n]1 Amb24072882 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.226 CC(=O)NCc1cc[n]c(Cl)c1 Amb24072881 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.226 CC(=O)NCc1cccc(Cl)[n]1 Amb25734187 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.226 CC(=O)NCc1cccc(I)c1 Amb25148829 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.226 CC(=O)NCc1cccc(N)c1 Amb18286659 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.226 CC(=O)NCc1cccc(O)c1 Amb18792630 [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.226 CC(=O)NCc1cccc(c1)Br Amb2085743 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.226 CC(=O)NCc1cccc(c1)Cl Amb2023612 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.226 CC(=O)NCc1cccc(n1)N Amb13890642 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.226 CC(=O)OCC1CC(=O)C=CC1 Amb25109774 [0,1,0,0,0,1|1,0,1]=4 1700 B12R1.226 CC(=O)OCC1CC=CC(O)O1 Amb25817260 [0,1,0,0,0,1|0,0,2]=4 1701 B12R1.226 CC(=O)OC[C@@H]1CC(=O)C=CC1 Amb24690554 [0,1,0,0,0,1|1,0,1]=4 1702 B12R1.226 CC(=O)OC[C@H]1CC(=O)C=CC1 Amb24608662 [0,1,0,0,0,1|1,0,1]=4 1703 B12R1.226 CC(=O)OCc1c[n](=O)ccc1 Amb20247038 [0,1,0,0,0,1|1,0,0]=3 1704 B12R1.226 CC(=O)OCc1cc(Br)ccn1 Amb10603159 [0,1,0,0,0,1|1,0,0]=3 1705 B12R1.226 CC(=O)OCc1cc(I)cc[n]1 Amb24063673 [0,1,0,0,0,1|1,0,0]=3 1706 B12R1.226 CC(=O)OCc1cccc(Br)c1 Amb25099120 [0,1,0,0,0,1|1,0,0]=3 1707 B12R1.226 CC(=O)OCc1cccc(Cl)[n]1 Amb25710369 [0,1,0,0,0,1|1,0,0]=3 1708 B12R1.226 CC(=O)OCc1cccc(Cl)c1 Amb25306228 [0,1,0,0,0,1|1,0,0]=3 1709 B12R1.226 CC(=O)OCc1cccc(F)c1 Amb25145061 [0,1,0,0,0,1|1,0,0]=3 1710 B12R1.226 CC(=O)OCc1cccc(N)c1 Amb22229178 [0,1,0,0,0,1|1,0,0]=3 1711 B12R1.226 CC(=O)OCc1cccc(c1)C Amb10601899 [0,1,0,0,0,1|1,0,0]=3 1712 B12R1.226 CC(=O)OCc1cccc(n1)C Amb10573711 [0,1,0,0,0,1|1,0,0]=3 1713 B12R1.226 CC(=O)SCc1cc[n]c(N)c1 Amb25793643 [0,1,0,0,0,1|1,1,0]=4 1714 B12R1.226 CC(=O)SCc1cccc(Cl)c1 Amb22231632 [0,1,0,0,0,1|1,1,0]=4 1715 B12R1.226 CC(=O)SCc1cccc(F)c1 Amb22231633 [0,1,0,0,0,1|1,1,0]=4 1716 B12R1.226 Cc1[n]c(CNC(C)=O)cc[n]1 Amb24553247 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.226 Cc1c[n]cc(COC(C)=O)[n]1 Amb24485579 [0,1,0,0,0,1|1,0,0]=3 1718 B12R1.226 Cc1c[n]cc(COC(C)=O)c1 Amb24448150 [0,1,0,0,0,1|1,0,0]=3 1719 B12R1.226 Cc1cc(CCC(C)=O)[n]c[n]1 Amb24566550 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.226 Cc1cc(CCC(C)=O)cc[n]1 Amb24677051 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.226 Cc1cc(COC(C)=O)cc[n]1 Amb24487151 [0,1,0,0,0,1|1,0,0]=3 1722 B12R1.226 Cc1cc[n]c(CNC(C)=O)[n]1 Amb23535928 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.226 Cc1cc[n]c(COC(C)=O)[n]1 Amb24183819 [0,1,0,0,0,1|1,0,0]=3 1724 B12R1.226 Cc1cc[n]c(COC(C)=O)c1 Amb22490556 [0,1,0,0,0,1|1,0,0]=3 1725 B12R1.226 Cc1cccc(CSC(C)=O)[n]1 Amb25128176 [0,1,0,0,0,1|1,1,0]=4 1726 B12R1.226 O=C(Cl)OCc1cccc(Br)c1 Amb24649567 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.891 CS(=O)(=O)OCc1c[n]cc[n]1 Amb25851326 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.891 CS(=O)(=O)OCc1c[n]ccc1 Amb24472514 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.891 CS(=O)(=O)OCc1cc[n]cc1 Amb24524731 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.891 CS(=O)(=O)OCc1cccc[n]1 Amb25322928 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.54 CC(=O)CCC(=O)c1ccco1 Amb2425618 [0,1,0,0,0,1|1,0,0]=3 1732 B12R1.54 CC(=O)CCC(c1ccco1)Cl Amb17401089 [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.54 CC(=O)CCC(c1cccs1)Cl Amb17402623 [0,1,0,0,0,1|1,1,0]=4 1734 B12R1.54 CC(=O)NCC(=O)c1ccco1 Amb24379100 [0,1,0,0,0,1|1,0,0]=3 1735 B12R1.54 CC(=O)NCC(=O)c1cccs1 Amb17335632 [0,1,0,0,0,1|1,1,0]=4 1736 B12R1.54 CC(=O)NCC(C)c1ccc[s]1 Amb24412731 [0,1,0,0,0,1|1,1,0]=4 1737 B12R1.54 CC(=O)NCC(O)c1ccco1 Amb24356097 [0,1,0,0,0,1|1,0,0]=3 1738 B12R1.54 CC(=O)NCC(c1cccs1)O Amb17335755 [0,1,0,0,0,1|1,1,0]=4 1739 B12R1.54 CC(=O)NC[C@@H](O)c1ccco1 Amb24346861 [0,1,0,0,0,1|1,0,0]=3 1740 B12R1.54 CC(=O)\C=C\C(=O)c1ccco1 Amb24497191 [0,1,0,0,0,1|1,0,1]=4 1741 B12R1.54 CC(C)=CCC(O)c1ccco1 Amb25670472 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.54 C\C(=N\NC(C)=O)\c1ccco1 Amb24576417 [0,1,0,0,0,1|1,0,1]=4 1743 B12R1.54 C\C(\N)=N\CC(O)c1ccco1 Amb25084034 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.54 NC(=O)CCC(=O)c1ccco1 Amb17334694 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.54 NC(=O)CCC(c1ccco1)O Amb17334756 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.105 CC(=O)NCCc1ccc(Br)o1 Amb25204953 [0,1,0,0,0,1|1,0,0]=3 1747 B12R1.105 CC(=O)NCCc1ccc(Cl)[s]1 Amb25110362 [0,1,0,0,0,1|1,1,0]=4 1748 B12R1.105 CC(=O)NCCc1ccc(I)[s]1 Amb20642134 [0,1,0,0,0,1|1,1,0]=4 1749 B12R1.105 CC(=O)NN=Cc1cc(co1)Br Amb14636338 [0,1,0,0,0,1|1,0,1]=4 1750 B12R1.105 CC(=O)NOCc1[n]cc(Br)[s]1 Amb24525866 [0,1,0,0,0,1|1,1,0]=4 1751 B12R1.105 CC(=O)NOCc1c[n]c(Cl)[s]1 Amb25333209 [0,1,0,0,0,1|1,1,0]=4 1752 B12R1.105 CC(=O)NOCc1cc(Br)c[s]1 Amb24421349 [0,1,0,0,0,1|0,1,0]=3 1753 B12R1.105 CC(=O)N\N=C\c1ccc(Cl)o1 Amb25706845 [0,1,0,0,0,1|1,0,1]=4 1754 B12R1.105 CC(=O)OCCn1cc(cn1)Br Amb13884502 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.105 Cc1[n]cc(CONC(C)=O)[s]1 Amb25687719 [0,1,0,0,0,1|1,1,0]=4 1756 B12R1.105 Cc1c[n]c(CONC(N)=O)o1 Amb25823579 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.105 Cc1cc(CONC(N)=O)o[n]1 Amb24352036 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.105 Cc1ccc(C\C=C\C(O)=O)o1 Amb25858107 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.105 NC(=O)NCCc1ccc(Br)o1 Amb24717793 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.105 NC(=O)NOCc1ccc(Cl)[s]1 Amb24672106 [0,1,0,0,0,1|1,1,0]=4 1761 B12R1.130 CC(=O)NOCc1[s]ccc1Br Amb25333133 [0,1,0,0,0,1|0,1,0]=3 1762 B12R1.130 CC(=O)NOCc1c[n]c[n]1C Amb25099183 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.130 Cc1[n]c[s]c1CONC(C)=O Amb24380554 [0,1,0,0,0,1|1,1,0]=4 1764 B12R1.130 Cc1[s]c[n]c1CCOC(C)=O Amb24065048 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.130 NC(=O)NOCc1[s]ccc1Br Amb24457458 [0,1,0,0,0,1|1,1,0]=4 1766 B12R1.260 CC(=O)OC(C)Nc1ccco1 Amb25350526 [0,1,0,0,0,1|0,0,0]=2 1767 B12R1.260 CC(C)=CC(O)Cc1ccco1 Amb24421593 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.260 CC(Cc1ccco1)CC(=O)O Amb17334712 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.260 CC(Cc1ccco1)NC(=O)C Amb13798432 [0,1,0,0,0,1|1,0,0]=3 1770 B12R1.260 CC(Cc1ccco1)NC(N)=O Amb18799030 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.260 CC(Cc1cccs1)NC(=O)C Amb10940490 [0,1,0,0,0,1|1,1,0]=4 1772 B12R1.260 NC(Cc1ccco1)CC(=O)O Amb17470474 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.264 CC(=C)C(=O)OCc1ccco1 Amb17934055 [0,1,0,0,0,1|1,0,0]=3 1774 B12R1.264 CC(=O)C(=O)NCc1ccco1 Amb17400230 [0,1,0,0,0,1|1,0,0]=3 1775 B12R1.264 CC(=O)C(=O)\C=C\c1ccco1 Amb25373372 [0,1,0,0,0,1|1,0,1]=4 1776 B12R1.264 NC(=O)C(=O)NCc1ccco1 Amb2229933 [0,1,0,0,0,1|2,0,0]=4 1777 B12R1.264 OC(=O)C(CCc1ccco1)C Amb17232664 [0,1,0,0,0,1|2,0,0]=4 1778 B12R1.264 OC(=O)C(CCc1ccco1)N Amb17470473 [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.477 BrCC(=O)NCCc1cccs1 Amb17333422 [0,1,0,0,0,1|1,1,0]=4 1780 B12R1.477 CNC(=N)NCCc1ccco1 Amb18798815 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.477 CNC(=O)NCCc1ccc[s]1 Amb24351945 [0,1,0,0,0,1|1,1,0]=4 1782 B12R1.477 CNC(=O)N\C=C\c1ccco1 Amb2421768 [0,1,0,0,0,1|1,0,1]=4 1783 B12R1.477 CNC(=O)N\N=C\c1ccco1 Amb24613323 [0,1,0,0,0,1|1,0,1]=4 1784 B12R1.477 COC(=O)C#CCc1ccc[s]1 Amb25736223 [0,1,0,0,0,1|1,1,0]=4 1785 B12R1.477 C\C(=C/C#Cc1ccco1)\C=O Amb25067014 [0,1,0,0,0,1|1,0,1]=4 1786 B12R1.477 ClCC(=O)NCCc1ccco1 Amb17329057 [0,1,0,0,0,1|1,0,0]=3 1787 B12R1.477 ClCC(=O)NCCc1cccs1 Amb1106069 [0,1,0,0,0,1|1,1,0]=4 1788 B12R1.477 NCC(COCc1ccco1)O Amb1058501 [0,1,0,0,0,1|0,0,2]=4 1789 B12R1.477 NNC(=O)NCCc1ccco1 Amb18793291 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.477 OCC(=O)NCCc1cccs1 Amb1110223 [0,1,0,0,0,1|1,1,0]=4 1791 B12R1.890 CS(=O)(=O)OCCc1ccco1 Amb22886971 [0,1,0,0,0,1|1,0,0]=3 1792 B12R1.15 BrCC(=O)NC(c1ccco1)C Amb17330601 [0,2,0,0,0,0|1,0,0]=3 1793 B12R1.15 BrCC(=O)NC(c1cccs1)C Amb17327134 [0,2,0,0,0,0|1,1,0]=4 1794 B12R1.15 CC(NC(=O)CC)c1ccc[nH]1 Amb25852674 [0,2,0,0,0,0|2,0,0]=4 1795 B12R1.15 CC(NC(=O)CI)c1ccc[s]1 Amb25067293 [0,2,0,0,0,0|1,1,0]=4 1796 B12R1.15 CC(NC(=O)CS)c1ccc[s]1 Amb25111480 [0,2,0,0,0,0|1,1,0]=4 1797 B12R1.15 CCC(=O)NC(c1ccco1)C Amb10677147 [0,2,0,0,0,0|1,0,0]=3 1798 B12R1.15 CCC(=O)NC(c1cccs1)C Amb1773608 [0,2,0,0,0,0|1,1,0]=4 1799 B12R1.15 CCC(=O)N[C@@H](C)c1ccco1 Amb25374863 [0,2,0,0,0,0|1,0,0]=3 1800 B12R1.15 CCC(=O)N[C@H](C)c1ccc[s]1 Amb24442284 [0,2,0,0,0,0|1,1,0]=4 1801 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 Amb25701234 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.15 CCC(=O)\C=C(/N)\c1ccco1 Amb25807522 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.15 CCC(=O)\C=C(\N)/c1ccco1 Amb24485639 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.15 CNC(=N)NC(C)c1ccco1 Amb18798814 [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.15 CNC(=N)N[C@H](C)c1ccco1 Amb25092281 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.15 CNC(=O)CC(c1ccco1)N Amb17232665 [0,2,0,0,0,0|1,0,0]=3 1807 B12R1.15 CNC(=O)CC(c1cccs1)C Amb17234025 [0,2,0,0,0,0|1,1,0]=4 1808 B12R1.15 CNC(=O)CC(c1cccs1)N Amb17234096 [0,2,0,0,0,0|1,1,0]=4 1809 B12R1.15 CNC(=O)C[C@H](O)c1ccc[s]1 Amb25751588 [0,2,0,0,0,0|1,1,0]=4 1810 B12R1.15 CNC(=O)NC(=O)c1ccco1 Amb25201628 [0,2,0,0,0,0|1,0,1]=4 1811 B12R1.15 CNC(=O)NC(C)c1ccco1 Amb25092656 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.15 COC(=O)CC(O)c1ccc[s]1 Amb22301486 [0,2,0,0,0,0|1,1,0]=4 1813 B12R1.15 COC(=O)CC(c1cccs1)C Amb17234093 [0,2,0,0,0,0|1,1,0]=4 1814 B12R1.15 COC(=O)N[C@@H](C)c1ccc[s]1 Amb24749509 [0,2,0,0,0,0|1,1,0]=4 1815 B12R1.15 COC(=O)N[C@H](C)c1ccc[s]1 Amb25358451 [0,2,0,0,0,0|1,1,0]=4 1816 B12R1.15 C[C@@H](NC(=O)CCl)c1ccc[s]1 Amb24739295 [0,2,0,0,0,0|1,1,0]=4 1817 B12R1.15 C[C@@H](NC(=O)CO)c1ccc[s]1 Amb25300190 [0,2,0,0,0,0|1,1,0]=4 1818 B12R1.15 C[C@H](NC(=O)CBr)c1ccc[s]1 Amb24390665 [0,2,0,0,0,0|1,1,0]=4 1819 B12R1.15 C[C@H](NC(=O)CCl)c1ccc[s]1 Amb25701223 [0,2,0,0,0,0|1,1,0]=4 1820 B12R1.15 C[C@H](NC(=O)CN)c1ccco1 Amb25360505 [0,2,0,0,0,0|1,0,0]=3 1821 B12R1.15 C[C@H](NC(=O)CO)c1ccc[s]1 Amb25099311 [0,2,0,0,0,0|1,1,0]=4 1822 B12R1.15 C\C(=C\C(=O)OC)\c1ccco1 Amb24649107 [0,2,0,0,0,0|1,0,1]=4 1823 B12R1.15 ClCC(=O)NC(c1ccco1)C Amb1158018 [0,2,0,0,0,0|1,0,0]=3 1824 B12R1.15 ClCC(=O)NC(c1cccs1)C Amb2304588 [0,2,0,0,0,0|1,1,0]=4 1825 B12R1.26 C#CC(=O)NCc1ccc(Cl)o1 Amb25206968 [0,2,0,0,0,0|1,0,1]=4 1826 B12R1.26 C=CC(=O)NCc1ccc(Br)o1 Amb24363969 [0,2,0,0,0,0|1,0,1]=4 1827 B12R1.26 CCC(=O)NCc1cc(Br)c[nH]1 Amb25206194 [0,2,0,0,0,0|2,0,0]=4 1828 B12R1.26 CCC(=O)NCc1ccc(Br)o1 Amb25072347 [0,2,0,0,0,0|1,0,0]=3 1829 B12R1.26 CCC(=O)NCc1ccc(Cl)[s]1 Amb25052555 [0,2,0,0,0,0|1,1,0]=4 1830 B12R1.26 CNC(=O)CCc1cc(Br)c[s]1 Amb25107581 [0,2,0,0,0,0|1,1,0]=4 1831 B12R1.26 CNC(=O)CCc1cc(Cl)c[s]1 Amb24343791 [0,2,0,0,0,0|1,1,0]=4 1832 B12R1.26 CNC(=O)NCc1cc(Br)c[nH]1 Amb25120602 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.26 CNC(=O)NCc1cc(cs1)Br Amb11400771 [0,2,0,0,0,0|1,1,0]=4 1834 B12R1.26 CNC(=O)NCc1ccc(s1)Br Amb11301817 [0,2,0,0,0,0|1,1,0]=4 1835 B12R1.26 CNC(=O)NCc1ccc(s1)Cl Amb11301836 [0,2,0,0,0,0|1,1,0]=4 1836 B12R1.26 CNC(=O)\C=C\c1ccc(I)o1 Amb25847670 [0,2,0,0,0,0|1,0,1]=4 1837 B12R1.26 CNC(=S)NCc1ccc(Cl)o1 Amb24352000 [0,2,0,0,0,0|1,1,0]=4 1838 B12R1.26 COC(=O)C#Cc1ccc(Br)o1 Amb25335303 [0,2,0,0,0,0|1,0,1]=4 1839 B12R1.26 COC(=O)CCc1cc(Br)[n]o1 Amb19650949 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.26 COC(=O)NCc1cc(Br)c[nH]1 Amb25295982 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.26 COC(=O)NCc1ccc(Br)[s]1 Amb25034776 [0,2,0,0,0,0|1,1,0]=4 1842 B12R1.26 COC(=O)NCc1ccc(Cl)o1 Amb24541472 [0,2,0,0,0,0|1,0,0]=3 1843 B12R1.26 COC(=O)\C=C\c1ccc(Br)o1 Amb22342228 [0,2,0,0,0,0|1,0,1]=4 1844 B12R1.26 COC(=O)\C=C\c1ccc(Cl)o1 Amb25723979 [0,2,0,0,0,0|1,0,1]=4 1845 B12R1.26 COC(=O)\C=C\c1ccc(I)o1 Amb25740448 [0,2,0,0,0,0|1,0,1]=4 1846 B12R1.26 C\N=C(\N)/NCc1ccc(Cl)o1 Amb25050996 [0,2,0,0,0,0|2,0,0]=4 1847 B12R1.26 Cc1[n]cc(CNC(=O)CBr)o1 Amb24568452 [0,2,0,0,0,0|2,0,0]=4 1848 B12R1.26 Cc1[n]cc(CNC(=O)CC)o1 Amb24764073 [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.26 Cc1[n]cc(CNC(=O)CCl)o1 Amb24587866 [0,2,0,0,0,0|2,0,0]=4 1850 B12R1.26 Cc1[n]cc(CNC(=O)CN)o1 Amb18826067 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.26 Cc1[n]cc(CNC(=O)OC)o1 Amb25259509 [0,2,0,0,0,0|2,0,0]=4 1852 B12R1.26 Cc1c[n]c(CNC(=O)CC)o1 Amb25157688 [0,2,0,0,0,0|2,0,0]=4 1853 B12R1.26 Cc1c[n]c(CNC(=O)CCl)o1 Amb24360744 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.26 Cc1c[n]c(CNC(=O)CS)o1 Amb25128109 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.26 Cc1c[n]c(CNC(=O)NC)o1 Amb24658756 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.26 Cc1c[n]c(CNC(=O)OC)o1 Amb25308448 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.26 Cc1cc(CNC(=O)CBr)[s]c1 Amb24584322 [0,2,0,0,0,0|1,1,0]=4 1858 B12R1.26 Cc1cc(CNC(=O)CC)o[n]1 Amb20406536 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.26 Cc1cc(CNC(=O)CCl)o[n]1 Amb18330034 [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.26 Cc1cc(CNC(=O)CN)o[n]1 Amb18983786 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.26 Cc1cc(CNC(=O)NC)o[n]1 Amb20406666 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.26 Cc1cc(CNC(=O)OC)[s]c1 Amb24690223 [0,2,0,0,0,0|1,1,0]=4 1863 B12R1.26 Cc1cc(CNC(=O)OC)o[n]1 Amb24381914 [0,2,0,0,0,0|2,0,0]=4 1864 B12R1.26 Cc1ccc(C#CC(=O)OC)o1 Amb25151107 [0,2,0,0,0,0|1,0,1]=4 1865 B12R1.26 Cc1ccc(CCC(=O)NC)[s]1 Amb25312711 [0,2,0,0,0,0|1,1,0]=4 1866 B12R1.26 Cc1ccc(CCC(=O)NC)o1 Amb25307250 [0,2,0,0,0,0|1,0,0]=3 1867 B12R1.26 Cc1ccc(CCC(=O)NN)o1 Amb24370539 [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.26 Cc1ccc(CCC(=O)NO)o1 Amb25206959 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.26 Cc1ccc(CNC(=N)NC)o1 Amb18805642 [0,2,0,0,0,0|2,0,0]=4 1870 B12R1.26 Cc1ccc(CNC(=O)C=C)o1 Amb18800900 [0,2,0,0,0,0|1,0,1]=4 1871 B12R1.26 Cc1ccc(CNC(=O)CBr)o1 Amb25265470 [0,2,0,0,0,0|1,0,0]=3 1872 B12R1.26 Cc1ccc(CNC(=O)CCl)[s]1 Amb19514464 [0,2,0,0,0,0|1,1,0]=4 1873 B12R1.26 Cc1ccc(CNC(=O)CCl)o1 Amb19077082 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.26 Cc1ccc(CNC(=O)CN)[s]1 Amb18294876 [0,2,0,0,0,0|1,1,0]=4 1875 B12R1.26 Cc1ccc(CNC(=O)CN)o1 Amb18299204 [0,2,0,0,0,0|1,0,0]=3 1876 B12R1.26 Cc1ccc(CNC(=O)CO)[s]1 Amb25099853 [0,2,0,0,0,0|1,1,0]=4 1877 B12R1.26 Cc1ccc(CNC(=O)NC)o1 Amb24524739 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.26 Cc1ccc(CNC(=O)NN)o1 Amb18806106 [0,2,0,0,0,0|2,0,0]=4 1879 B12R1.26 Cc1ccc(CNC(=S)NC)o1 Amb23465384 [0,2,0,0,0,0|1,1,0]=4 1880 B12R1.26 Cc1ccc(\C=C\C(=O)OC)o1 Amb22009458 [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.26 NCC(=O)NCC1=CC(=O)NO1 Amb22352638 [0,2,0,0,0,0|2,0,0]=4 1882 B12R1.26 NCC(=O)NCc1cc(Br)c[s]1 Amb18246351 [0,2,0,0,0,0|1,1,0]=4 1883 B12R1.26 NCC(=O)NCc1cc(Br)c[s]1 Amb24768486 [0,2,0,0,0,0|1,1,0]=4 1884 B12R1.26 NCC(=O)NCc1cc(O)[n]o1 Amb24710759 [0,2,0,0,0,0|2,0,0]=4 1885 B12R1.26 NCC(=O)NCc1ccc(Br)[s]1 Amb18971226 [0,2,0,0,0,0|1,1,0]=4 1886 B12R1.26 NCC(=O)NCc1ccc(Br)[s]1 Amb24768467 [0,2,0,0,0,0|1,1,0]=4 1887 B12R1.26 NCC(=O)NCc1ccc(Cl)[s]1 Amb18244062 [0,2,0,0,0,0|1,1,0]=4 1888 B12R1.26 NCC(=O)NCc1ccc(Cl)[s]1 Amb24768485 [0,2,0,0,0,0|1,1,0]=4 1889 B12R1.26 O=C(CBr)NCc1cc(Br)c[s]1 Amb25151047 [0,2,0,0,0,0|1,1,0]=4 1890 B12R1.26 O=C(CCl)NCc1cc(Br)c[nH]1 Amb24343560 [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.26 O=C(CCl)NCc1cc(Br)c[s]1 Amb19514483 [0,2,0,0,0,0|1,1,0]=4 1892 B12R1.26 O=C(CCl)NCc1ccc(Br)[s]1 Amb25310881 [0,2,0,0,0,0|1,1,0]=4 1893 B12R1.26 O=C(CCl)NCc1ccc(Br)o1 Amb24502140 [0,2,0,0,0,0|1,0,0]=3 1894 B12R1.26 O=C(CCl)NCc1ccc(Cl)[s]1 Amb19514441 [0,2,0,0,0,0|1,1,0]=4 1895 B12R1.26 O=C(CCl)NCc1ccc(Cl)o1 Amb25358519 [0,2,0,0,0,0|1,0,0]=3 1896 B12R1.26 OCC(=O)NCc1cc(Br)c[s]1 Amb25252021 [0,2,0,0,0,0|1,1,0]=4 1897 B12R1.51 BrCCC(=O)NCc1ccco1 Amb17323760 [0,2,0,0,0,0|1,0,0]=3 1898 B12R1.51 BrCCC(=O)NCc1cccs1 Amb17324547 [0,2,0,0,0,0|1,1,0]=4 1899 B12R1.51 CC#CC(=O)\C=C\c1ccco1 Amb24721789 [0,2,0,0,0,0|1,0,1]=4 1900 B12R1.51 CCCC(=O)NCc1cccs1 Amb17793921 [0,2,0,0,0,0|1,1,0]=4 1901 B12R1.51 CCCC(=O)OCc1ccco1 Amb22353279 [0,2,0,0,0,0|0,0,0]=2 1902 B12R1.51 CCNC(=N)NCc1ccco1 Amb18798817 [0,2,0,0,0,0|2,0,0]=4 1903 B12R1.51 CCNC(=O)/C=C/c1ccco1 Amb17869798 [0,2,0,0,0,0|1,0,1]=4 1904 B12R1.51 CCNC(=O)NCc1ccc[nH]1 Amb25806472 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.51 CCNC(=O)NCc1ccco1 Amb24497204 [0,2,0,0,0,0|1,0,0]=3 1906 B12R1.51 CCNC(=O)OCc1cocc1 Amb2429106 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [0,2,0,0,0,0|1,0,1]=4 1908 B12R1.51 CNCC(=O)NCc1ccc[s]1 Amb19373753 [0,2,0,0,0,0|1,1,0]=4 1909 B12R1.51 CNCC(=O)NCc1ccco1 Amb13951291 [0,2,0,0,0,0|1,0,0]=3 1910 B12R1.51 COCC(=O)NCc1cccs1 Amb10669182 [0,2,0,0,0,0|1,1,0]=4 1911 B12R1.51 CSCC(=O)NCc1ccco1 Amb15739621 [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.51 C\C(=C\C=O)\C#Cc1ccco1 Amb24640415 [0,2,0,0,0,0|1,0,1]=4 1913 B12R1.51 C\C(\C=C\c1ccco1)=C\C=O Amb25767873 [0,2,0,0,0,0|1,0,1]=4 1914 B12R1.51 C\C(\NC#N)=N\Cc1ccco1 Amb24497657 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.51 C\C=C\C(=O)NCc1ccc[s]1 Amb24704054 [0,2,0,0,0,0|1,1,0]=4 1916 B12R1.51 C\C=C\C(=O)\C=C\c1ccco1 Amb25717785 [0,2,0,0,0,0|1,0,1]=4 1917 B12R1.51 ClCCC(=O)NCc1ccco1 Amb1137792 [0,2,0,0,0,0|1,0,0]=3 1918 B12R1.51 N#CCC(=O)CCc1cccs1 Amb17233558 [0,2,0,0,0,0|1,1,0]=4 1919 B12R1.51 N#CCC(=O)\C=C\c1ccco1 Amb24434538 [0,2,0,0,0,0|1,0,1]=4 1920 B12R1.51 N#CNC(=O)CCc1ccco1 Amb25844467 [0,2,0,0,0,0|1,0,1]=4 1921 B12R1.51 NCCC(=O)NCc1ccco1 Amb1127809 [0,2,0,0,0,0|1,0,0]=3 1922 B12R1.51 NCCC(=O)NCc1ccco1 Amb21958909 [0,2,0,0,0,0|1,0,0]=3 1923 B12R1.51 O=C(C#CBr)NCc1ccco1 Amb25688452 [0,2,0,0,0,0|1,0,1]=4 1924 B12R1.51 O=C=NC(=O)CCc1ccco1 Amb17232514 [0,2,0,0,0,0|1,0,1]=4 1925 B12R1.51 OCCC(=O)NCc1ccco1 Amb17334760 [0,2,0,0,0,0|1,0,0]=3 1926 B12R1.51 OCNC(=O)\C=C\c1ccco1 Amb25255369 [0,2,0,0,0,0|1,0,1]=4 1927 B12R1.51 [C-]#[N+]CC(=O)NCc1ccco1 Amb24574077 [0,2,0,0,0,0|1,0,0]=3 1928 B12R1.108 CN(Cc1ccc[s]1)C(=O)NC Amb20513579 [0,2,0,0,0,0|1,1,0]=4 1929 B12R1.108 CN(Cc1ccco1)C(=N)NC Amb18798818 [0,2,0,0,0,0|2,0,0]=4 1930 B12R1.108 CN(Cc1ccco1)C(=O)C#C Amb24633084 [0,2,0,0,0,0|1,0,1]=4 1931 B12R1.108 COC(=O)C(=O)Cc1ccco1 Amb17138626 [0,2,0,0,0,0|1,0,0]=3 1932 B12R1.108 COC(=O)C(Cc1ccco1)O Amb17138659 [0,2,0,0,0,0|1,0,0]=3 1933 B12R1.108 COC(=O)C(Cc1cccs1)O Amb17139129 [0,2,0,0,0,0|1,1,0]=4 1934 B12R1.108 COC(=O)N(Cc1ccco1)C Amb2389217 [0,2,0,0,0,0|1,0,0]=3 1935 B12R1.108 COC(=O)[C@@H](N)Cc1ccc[s]1 Amb19149172 [0,2,0,0,0,0|1,1,0]=4 1936 B12R1.108 COC(=O)\C(\N)=C\c1ccco1 Amb25129514 [0,2,0,0,0,0|1,0,1]=4 1937 B12R1.108 ClCC(=O)N(Cc1ccc[nH]1)C Amb17323622 [0,2,0,0,0,0|2,0,0]=4 1938 B12R1.108 ClCC(=O)N(Cc1ccco1)C Amb1107558 [0,2,0,0,0,0|1,0,0]=3 1939 B12R1.108 ClCC(=O)N(Cc1cccs1)C Amb2303184 [0,2,0,0,0,0|1,1,0]=4 1940 B12R1.108 OCC(=O)N(Cc1ccco1)C Amb1109719 [0,2,0,0,0,0|1,0,0]=3 1941 B12R1.108 OCC(=O)N(Cc1cccs1)C Amb1110315 [0,2,0,0,0,0|1,1,0]=4 1942 B12R1.196 CCS(=O)(=O)NCc1ccco1 Amb17737243 [0,2,0,0,0,0|2,0,0]=4 1943 B12R1.297 CN\C(\NCc1ccco1)=N\N Amb24525096 [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.353 CCC(=O)NCc1sccc1Br Amb15563099 [0,2,0,0,0,0|1,1,0]=4 1945 B12R1.353 CNC(=O)NCc1ccc[n]1C Amb25157899 [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.353 CNC(=O)NCc1sccc1Br Amb15450262 [0,2,0,0,0,0|1,1,0]=4 1947 B12R1.353 COC(=O)C#Cc1occc1Br Amb24459521 [0,2,0,0,0,0|1,0,1]=4 1948 B12R1.353 COC(=O)\C=C\c1occc1Br Amb24497733 [0,2,0,0,0,0|1,0,1]=4 1949 B12R1.353 C[n]1cccc1CNC(=O)CBr Amb25088816 [0,2,0,0,0,0|2,0,0]=4 1950 B12R1.353 C[n]1cccc1CNC(=O)CCl Amb25157937 [0,2,0,0,0,0|2,0,0]=4 1951 B12R1.353 Cc1cc[s]c1CNC(=O)CBr Amb25034688 [0,2,0,0,0,0|1,1,0]=4 1952 B12R1.353 Cc1cc[s]c1CNC(=O)CCl Amb19514439 [0,2,0,0,0,0|1,1,0]=4 1953 B12R1.353 Cc1cc[s]c1CNC(=O)CN Amb21862090 [0,2,0,0,0,0|1,1,0]=4 1954 B12R1.353 Cc1cc[s]c1CNC(=O)CS Amb24465777 [0,2,0,0,0,0|1,1,0]=4 1955 B12R1.353 Cc1ccoc1CNC(=N)CC Amb25820347 [0,2,0,0,0,0|2,0,0]=4 1956 B12R1.353 Cc1ccoc1CNC(=O)CN Amb25279035 [0,2,0,0,0,0|1,0,0]=3 1957 B12R1.353 Cc1ccoc1CNC(=O)CS Amb25733773 [0,2,0,0,0,0|1,0,0]=3 1958 B12R1.353 Cc1ccoc1CNC(=O)NN Amb24378302 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.353 Cc1ccoc1C\C=C(/C)\CCl Amb24390885 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.353 Cc1ccoc1C\C=C(\C)/CCl Amb24651089 [0,2,0,0,0,0|2,0,0]=4 1961 B12R1.353 Cc1ccoc1C\C=C(\C)/CO Amb25158091 [0,2,0,0,0,0|1,0,1]=4 1962 B12R1.353 NCC(=O)NCc1[s]ccc1Br Amb24768501 [0,2,0,0,0,0|1,1,0]=4 1963 B12R1.353 O=C(CCl)NCc1[s]ccc1Br Amb25854013 [0,2,0,0,0,0|1,1,0]=4 1964 B12R1.353 OCC(=O)NCc1[s]ccc1Br Amb24645010 [0,2,0,0,0,0|1,1,0]=4 1965 B12R1.104 CC(=C)C(=O)Cc1ccc(Br)o1 Amb24582367 [0,2,0,0,0,0|2,0,0]=4 1966 B12R1.104 CC(=O)C(C)Cc1cc(Br)c[s]1 Amb24454512 [0,2,0,0,0,0|1,1,0]=4 1967 B12R1.104 CC(=O)N(C)Cc1cc(Br)c[s]1 Amb24461217 [0,2,0,0,0,0|1,1,0]=4 1968 B12R1.104 CC(C(=O)O)Cc1ccc(o1)C Amb17605842 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.104 CC(Cc1ccc(Br)o1)C(O)=O Amb25297998 [0,2,0,0,0,0|2,0,0]=4 1970 B12R1.104 CN(Cc1ccc(Br)o1)C(N)=O Amb25333366 [0,2,0,0,0,0|2,0,0]=4 1971 B12R1.104 C\C(=C/c1ccc(Br)o1)\C(C)=O Amb25718665 [0,2,0,0,0,0|1,0,1]=4 1972 B12R1.104 C\C(=C/c1ccc(C)o1)\C(C)=O Amb24497511 [0,2,0,0,0,0|1,0,1]=4 1973 B12R1.104 C\C(=C/c1ccc(Cl)o1)\C(C)=O Amb25273456 [0,2,0,0,0,0|1,0,1]=4 1974 B12R1.104 Cc1ccc(CC(C)C(C)=O)o1 Amb25773466 [0,2,0,0,0,0|1,0,0]=3 1975 B12R1.104 Cc1ccc(CC(S)C(O)=O)o1 Amb18288979 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.104 Cc1ccc(CN(C)C(C)=O)[s]1 Amb25307158 [0,2,0,0,0,0|1,1,0]=4 1977 B12R1.104 Cc1ccc(CN(O)C(N)=O)o1 Amb25056106 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.104 Cc1ccc(C[C@@H](N)C(O)=O)o1 Amb18801199 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.104 Cc1ccc(C[C@H](N)C(O)=O)o1 Amb24380249 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.104 Cc1ccc(o1)CC(=O)C(=O)O Amb1134823 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.104 NC(Cc1ccc(Cl)o1)C(O)=O Amb19000858 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.104 NC(Cc1ccc(I)o1)C(O)=O Amb24341823 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.104 N[C@@H](Cc1ccc(Br)o1)C(O)=O Amb24488678 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.104 N[C@H](Cc1cc(Br)co1)C(O)=O Amb25223140 [0,2,0,0,0,0|2,0,0]=4 1985 B12R1.104 N[C@H](Cc1ccc(Br)o1)C(O)=O Amb25791878 [0,2,0,0,0,0|2,0,0]=4 1986 B12R1.104 OC(=O)C(=O)Cc1ccc(o1)Br Amb1131460 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.104 OC(=O)C(F)Cc1ccc(Br)o1 Amb25200825 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.120 C=C(C(N)c1ccco1)C(O)=O Amb25250707 [0,2,0,0,0,0|2,0,0]=4 1989 B12R1.120 C=C(C(O)c1ccco1)C(N)=O Amb25700798 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.120 C=C([C@@H](N)c1ccco1)C(O)=O Amb25240035 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.120 CC(=C)C(C)C(O)c1ccco1 Amb25144471 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.120 CC(=C)C(O)C(O)c1ccco1 Amb24620907 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.120 CC(=O)C(=C)C(O)c1ccc[s]1 Amb25072391 [0,2,0,0,0,0|1,1,0]=4 1994 B12R1.120 CC(=O)C(=C)C(O)c1ccco1 Amb25282701 [0,2,0,0,0,0|1,0,0]=3 1995 B12R1.120 CC(=O)C(=C)[C@@H](O)c1ccco1 Amb24570403 [0,2,0,0,0,0|1,0,0]=3 1996 B12R1.120 CC(=O)C(C)C(=O)c1ccco1 Amb18798521 [0,2,0,0,0,0|1,0,1]=4 1997 B12R1.120 CC(=O)C(C)C(O)c1ccco1 Amb25132598 [0,2,0,0,0,0|1,0,0]=3 1998 B12R1.120 CC(=O)C(C)[C@@H](O)c1ccco1 Amb24662439 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.120 CC(=O)C(O)C(O)c1ccc[s]1 Amb25182928 [0,2,0,0,0,0|1,1,0]=4 2000 B12R1.120 CC(=O)N(C)C(C)c1ccc[s]1 Amb24370268 [0,2,0,0,0,0|1,1,0]=4 2001 B12R1.120 CC(=O)[C@@H](C)[C@@H](O)c1ccco1 Amb24721715 [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.120 CC(=O)[C@@H](O)[C@@H](O)c1ccc[s]1 Amb24448125 [0,2,0,0,0,0|1,1,0]=4 2003 B12R1.120 CC(=O)[C@@H](O)[C@H](O)c1ccc[s]1 Amb24466249 [0,2,0,0,0,0|1,1,0]=4 2004 B12R1.120 CC(=O)[C@H](C)[C@@H](O)c1ccco1 Amb25128259 [0,2,0,0,0,0|1,0,0]=3 2005 B12R1.120 CC(=O)[C@H](C)[C@H](O)c1ccc[s]1 Amb24457891 [0,2,0,0,0,0|1,1,0]=4 2006 B12R1.120 CC(=O)[C@H](O)[C@@H](O)c1ccc[s]1 Amb25755407 [0,2,0,0,0,0|1,1,0]=4 2007 B12R1.120 CC(=O)[C@H](O)[C@H](O)c1ccc[s]1 Amb24353057 [0,2,0,0,0,0|1,1,0]=4 2008 B12R1.120 CC(C(C)c1ccco1)C(O)=O Amb18199302 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.120 CC(C(O)c1ccco1)C(N)=O Amb25679570 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.120 CC(c1ccco1)N(O)C(N)=O Amb18825762 [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.120 C[C@H]([C@@H](O)c1ccco1)C(N)=O Amb25137353 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.120 C[C@H]([C@H](O)c1ccco1)C(O)=O Amb25784032 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.120 C\C(=C(\N)/c1ccco1)\C(C)=O Amb24570936 [0,2,0,0,0,0|1,0,1]=4 2014 B12R1.120 C\C(\N)=[N+](/C)\C(C)c1ccco1 Amb25781517 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.120 NC(C(O)C(O)=O)c1ccco1 Amb25246683 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.120 N[C@@H]([C@H](O)c1ccco1)C(O)=O Amb25059240 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.120 OC(=O)C(C(c1ccco1)N)C Amb17470472 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.145 CC(=O)N(C)Cc1[s]ccc1Br Amb25787826 [0,2,0,0,0,0|1,1,0]=4 2019 B12R1.145 CC(=O)N(C)Cc1ccc[n]1C Amb24459167 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.145 Cc1ccoc1CC(=O)C(O)=O Amb25854016 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.145 Cc1ccoc1CC(C)C(O)=O Amb25304965 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.145 Cc1ccoc1CC(F)C(O)=O Amb25034941 [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.145 Cc1ccoc1CC(N)C(O)=O Amb18826171 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.145 Cc1ccoc1CC(O)C(C)=C Amb25306282 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.145 Cc1ccoc1CN(C)C(C)=O Amb25205896 [0,2,0,0,0,0|1,0,0]=3 2026 B12R1.145 Cc1ccoc1CN(C)C(N)=O Amb25266246 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.145 Cc1ccoc1C[C@H](N)C(O)=O Amb24492875 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.145 N[C@@H](Cc1occc1Br)C(O)=O Amb25042979 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.145 N[C@H](Cc1occc1Br)C(O)=O Amb25763211 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.145 OC(=O)C(=O)Cc1occc1Br Amb25854549 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.298 CC(=O)\C(\Cc1ccco1)=N/O Amb24379033 [0,2,0,0,0,0|1,0,0]=3 2032 B12R1.298 CCN(C(=O)C)Cc1cccs1 Amb10674069 [0,2,0,0,0,0|1,1,0]=4 2033 B12R1.298 N#CC(C(=O)O)Cc1ccco1 Amb17090105 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.298 NC(=O)C(Cc1ccco1)C#N Amb25152443 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.1373 CC(C)(Cc1ccco1)C(O)=O Amb18303224 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.1373 OC(=O)C(Cc1ccco1)(N)C Amb17232695 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.59 CC(=O)NCc1ccc(C=O)[s]1 Amb24072962 [0,2,0,0,0,0|1,1,0]=4 2038 B12R1.59 CC(=O)NCc1ccc(C=O)o1 Amb25034624 [0,2,0,0,0,0|1,0,0]=3 2039 B12R1.59 CC(=O)OCc1cc(C#N)oc1 Amb18646206 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.59 CC(=O)OCc1ccc(C#N)o1 Amb18646200 [0,2,0,0,0,0|0,0,0]=2 2041 B12R1.59 CC(=O)\C=C\c1ccc(C=O)o1 Amb18645973 [0,2,0,0,0,0|1,0,1]=4 2042 B12R1.59 CC(=O)\C=C\c1ccc(CCl)o1 Amb25227453 [0,2,0,0,0,0|1,0,1]=4 2043 B12R1.59 CC(=O)\C=C\c1ccc(CO)o1 Amb24425393 [0,2,0,0,0,0|1,0,1]=4 2044 B12R1.59 CC(=O)\C=C\c1ccc(o1)OC Amb24614290 [0,2,0,0,0,0|1,0,1]=4 2045 B12R1.59 CC(C)=CCc1ccc(C=O)o1 Amb18646089 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.59 CC(C)=CCc1ccc(CO)o1 Amb25057757 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.59 O=[13CH][13c]1[13cH][13cH][13c](o1)[13CH2]OC(=O)C Amb17607371 [0,2,0,0,0,0|0,0,0]=2 2048 B12R1.103 CC(=C)CC(N)c1ccc(Br)o1 Amb25817148 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.103 CC(=C)CC(N)c1ccc(Cl)o1 Amb25816365 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.103 CC(=C)CC(O)c1ccc(Br)o1 Amb24346473 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.103 CC(=C)C[C@@H](N)c1ccc(Br)o1 Amb25252297 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.103 CC(=C)C[C@H](N)c1ccc(Cl)o1 Amb25302387 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.103 CC(=O)CC(=O)c1ccc(Br)o1 Amb25058736 [0,2,0,0,0,0|1,0,1]=4 2054 B12R1.103 CC(=O)N[C@H](C)c1ccc(Br)[s]1 Amb25742053 [0,2,0,0,0,0|1,1,0]=4 2055 B12R1.103 CC(=O)N[C@H](C)c1ccc(Cl)[s]1 Amb24752013 [0,2,0,0,0,0|1,1,0]=4 2056 B12R1.103 CC(=O)O[C@@H](C)c1ccc(Cl)[s]1 Amb25182860 [0,2,0,0,0,0|0,1,0]=3 2057 B12R1.103 CC(=O)O[C@H](C)c1ccc(Cl)[s]1 Amb25256995 [0,2,0,0,0,0|0,1,0]=3 2058 B12R1.103 CC(C)=CC(N)c1ccc(Br)o1 Amb24435748 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.103 CC(C)=CC(O)c1ccc(Cl)o1 Amb24452869 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.103 CC(CC(O)=O)c1ccc(Br)o1 Amb25200837 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.103 Cc1[n][n]c(o1)C(C)OC(C)=O Amb25848832 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.103 Cc1[n]c(c[s]1)[C@H](C)OC(C)=O Amb24459191 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.103 Cc1c[s]c([n]1)C(C)OC(C)=O Amb25816584 [0,2,0,0,0,0|1,1,0]=4 2064 B12R1.103 Cc1cc([n]o1)C(C)OC(C)=O Amb25816583 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.103 Cc1cc([n]o1)[C@H](C)OC(C)=O Amb24449384 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.103 Cc1cc(oc1)C(N)CC(O)=O Amb25105856 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.103 Cc1cc[n]([n]1)C(C)OC(C)=O Amb25034616 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.103 Cc1ccc([s]1)C(C)CC(C)=O Amb24386670 [0,2,0,0,0,0|1,1,0]=4 2069 B12R1.103 Cc1ccc(o1)C(C)CC(C)=O Amb25843709 [0,2,0,0,0,0|1,0,0]=3 2070 B12R1.103 Cc1ccc(o1)C(C)NC(N)=O Amb18805803 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.103 Cc1ccc(o1)C(CC(=O)O)N Amb2441394 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.103 Cc1ccc(o1)C(N)CC(C)=C Amb25313930 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.103 Cc1ccc(o1)[C@@H](N)CC(N)=O Amb18793033 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.103 Cc1ccc(o1)[C@@H](N)CC(O)=O Amb18793276 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.103 Cc1ccc(o1)[C@@H](N)CC(O)=O Amb19514934 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.103 Cc1ccc(o1)[C@H](N)CC(C)=C Amb24714892 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.103 Cc1ccc(o1)[C@H](N)CC(N)=O Amb25858645 [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.103 Cc1ccc(o1)[C@H](N)CC(O)=O Amb25059364 [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.103 NC(=O)CC(N)c1cc(Br)co1 Amb24632678 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.103 NC(=O)CC(N)c1ccc(Cl)o1 Amb25149915 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.103 NC(CC(O)=O)c1cc(Cl)co1 Amb23537477 [0,2,0,0,0,0|2,0,0]=4 2082 B12R1.103 NC(CC(O)=O)c1cc(O)co1 Amb25188423 [0,2,0,0,0,0|2,0,0]=4 2083 B12R1.103 N[C@@H](CC(O)=O)c1cc(Cl)co1 Amb25266350 [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.103 N[C@@H](CC(O)=O)c1cc(F)co1 Amb24525823 [0,2,0,0,0,0|2,0,0]=4 2085 B12R1.103 N[C@@H](CC(O)=O)c1ccc(Br)o1 Amb24627512 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.103 N[C@@H](CC(O)=O)c1ccc(Cl)o1 Amb25669450 [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.103 N[C@@H](CC(O)=O)c1ccc(O)o1 Amb25045462 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.103 N[C@H](CC(O)=O)c1cc(Br)co1 Amb25095354 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.103 N[C@H](CC(O)=O)c1cc(O)co1 Amb25722977 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.103 N[C@H](CC(O)=O)c1ccc(Br)o1 Amb25136933 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.103 N[C@H](CC(O)=O)c1ccc(Cl)o1 Amb24737623 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.103 Nc1cc(oc1)[C@H](N)CC(O)=O Amb24535450 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.103 Nc1ccc(o1)C(N)CC(O)=O Amb25072438 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.103 OC(=O)CC(O)c1cc(Br)co1 Amb24575760 [0,2,0,0,0,0|2,0,0]=4 2095 B12R1.110 CC(=O)OCC1CC(=C)C(=O)O1 Amb24447843 [0,2,0,0,0,0|0,0,2]=4 2096 B12R1.110 Cc1[s]c(CNC(C)=O)cc1C Amb24485626 [0,2,0,0,0,0|1,1,0]=4 2097 B12R1.110 Cc1cc(COC(C)=O)oc1C Amb25036189 [0,2,0,0,0,0|0,0,0]=2 2098 B12R1.110 Cc1oc(CCC(C)=O)[n]c1C Amb18827177 [0,2,0,0,0,0|2,0,0]=4 2099 B12R1.110 Cc1oc(CCC(O)=O)cc1Br Amb23537729 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.110 Cc1oc(CCC(O)=O)cc1C Amb22732196 [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.110 OC(=O)CCc1cc(Br)c(Cl)o1 Amb23539106 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.836 CC(C)(C)OCc1ccc(Br)o1 Amb25278879 [0,2,0,0,0,0|1,0,1]=4 2103 B12R1.836 CS(=O)(=O)NCc1ccc(Br)o1 Amb24619806 [0,2,0,0,0,0|2,0,0]=4 2104 B12R1.836 CS(=O)(=O)NCc1ccc(Cl)o1 Amb25688426 [0,2,0,0,0,0|2,0,0]=4 2105 B12R1.836 CS(=O)(=O)OCc1cc(Br)c[s]1 Amb24750098 [0,2,0,0,0,0|1,1,0]=4 2106 B12R1.836 CS(=O)(=O)OCc1ccc(Cl)[s]1 Amb25154277 [0,2,0,0,0,0|1,1,0]=4 2107 B12R1.836 Cc1c[n]c(COS(C)(=O)=O)o1 Amb24752390 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.861 CC(=O)CCC1OC(=O)C=C1C Amb25730171 [0,2,0,0,0,0|1,0,1]=4 2109 B12R1.861 CC(=O)NCc1cc(Br)c[n]1C Amb24412818 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.861 CC(=O)OCc1[s]c(Br)[n]c1Br Amb25126080 [0,2,0,0,0,0|1,1,0]=4 2111 B12R1.861 CC(=O)OCc1[s]c(Cl)[n]c1Cl Amb25781772 [0,2,0,0,0,0|1,1,0]=4 2112 B12R1.861 Cc1[n]c(C)[s]c1COC(C)=O Amb24393855 [0,2,0,0,0,0|1,1,0]=4 2113 B12R1.861 Cc1[s]c(C)[n]c1COC(C)=O Amb24676113 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.861 Cc1cc(C)[nH]c1CCC(C)=O Amb24411950 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.861 Cc1cc(C)[nH]c1CNC(C)=O Amb25125250 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.861 Cc1cc(C)c(CCC(O)=O)o1 Amb25783929 [0,2,0,0,0,0|2,0,0]=4 2117 B12R1.861 Cc1cc(C)oc1COC(C)=O Amb25126051 [0,2,0,0,0,0|0,0,0]=2 2118 B12R1.870 CC(=O)OCc1occ(Cl)c1Cl Amb24497505 [0,2,0,0,0,0|0,0,0]=2 2119 B12R1.870 Cc1[n]oc(COC(C)=O)c1Br Amb24066363 [0,2,0,0,0,0|1,0,0]=3 2120 B12R1.870 Cc1coc(COC(C)=O)c1C Amb25244720 [0,2,0,0,0,0|0,0,0]=2 2121 B12R1.870 Cc1o[n]c(COC(C)=O)c1Br Amb25693395 [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.144 CC(=O)OC(C)c1cc[n][n]1C Amb25182790 [0,2,0,0,0,0|2,0,0]=4 2123 B12R1.144 CC(C)=CC(N)c1occc1C Amb25731601 [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.144 CC(C)=CC(O)c1occc1C Amb25198447 [0,2,0,0,0,0|2,0,0]=4 2125 B12R1.144 Cc1ccoc1C(N)CC(O)=O Amb24687843 [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.144 Cc1ccoc1C(O)CC(O)=O Amb25160399 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.144 Cc1ccoc1[C@H](N)CC(O)=O Amb24437413 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.144 NC(=O)CC(N)c1occc1Br Amb25283469 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.144 NC(=O)C[C@H](N)c1occc1Br Amb24524854 [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.144 NC(CC(O)=O)c1occc1Br Amb24497684 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.144 NC(CC(O)=O)c1occc1F Amb25129640 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.144 NC(CC(O)=O)c1occc1O Amb25680481 [0,2,0,0,0,0|2,0,0]=4 2133 B12R1.144 N[C@@H](CC(O)=O)c1occc1Br Amb25279920 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.144 N[C@H](CC(O)=O)c1occc1Cl Amb25826219 [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.144 N[C@H](CC(O)=O)c1occc1F Amb25090440 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.144 Nc1ccoc1C(N)CC(O)=O Amb24735005 [0,2,0,0,0,0|2,0,0]=4 2137 B12R1.259 CC(=O)SC(c1ccco1)([2H])[2H] Amb17614667 [0,2,0,0,0,0|0,1,0]=3 2138 B12R1.259 CC(O)(CC(O)=O)c1ccco1 Amb18825805 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.259 C[C@@](N)(CC(O)=O)c1ccco1 Amb25063804 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.259 C[C@](N)(CC(O)=O)c1ccco1 Amb24487308 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.265 CS(=O)(=O)CC(N)c1ccco1 Amb18114795 [0,2,0,0,0,0|2,0,0]=4 2142 B12R1.265 CS(=O)(=O)CC(O)c1ccco1 Amb25719731 [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.265 CS(=O)(=O)C[C@H](N)c1ccco1 Amb24471587 [0,2,0,0,0,0|2,0,0]=4 2144 B12R1.476 CC(=O)CC(C#N)c1ccc[s]1 Amb25800982 [0,2,0,0,0,0|1,1,0]=4 2145 B12R1.476 CC(=O)CC(C#N)c1ccco1 Amb25795308 [0,2,0,0,0,0|1,0,0]=3 2146 B12R1.476 CC(=O)N[C@@H](CC)c1ccco1 Amb25840906 [0,2,0,0,0,0|1,0,0]=3 2147 B12R1.476 CC(=O)N[C@H](CC)c1ccc[s]1 Amb25770514 [0,2,0,0,0,0|1,1,0]=4 2148 B12R1.476 CC(=O)OC(C=C)c1ccco1 Amb20248369 [0,2,0,0,0,0|0,0,0]=2 2149 B12R1.476 CC(=O)O[C@H](C#N)c1ccoc1 Amb25740099 [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.476 CC(C)=CC(NN)c1ccco1 Amb25839982 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.476 CCC(c1cccs1)NC(=O)C Amb1805885 [0,2,0,0,0,0|1,1,0]=4 2152 B12R1.476 N#CC(c1ccco1)CC(=O)O Amb17400172 [0,2,0,0,0,0|2,0,0]=4 2153 B12R1.476 N#CC(c1ccco1)NC(=O)C Amb17334597 [0,2,0,0,0,0|1,0,0]=3 2154 B12R1.476 N#CC(c1cccs1)NC(=O)C Amb17335420 [0,2,0,0,0,0|1,1,0]=4 2155 B12R1.476 NC(=O)CC(CN)c1ccco1 Amb23441520 [0,2,0,0,0,0|2,0,0]=4 2156 B12R1.476 NCC(c1ccco1)CC(=O)O Amb17400304 [0,2,0,0,0,0|2,0,0]=4 2157 B12R1.81 CC(=O)OCc1[s]ccc1C#N Amb25084302 [0,2,0,0,0,0|0,1,0]=3 2158 B12R1.81 CC(=O)OCc1ccoc1C#N Amb18646207 [0,2,0,0,0,0|2,0,0]=4 2159 B12R1.81 CC(=O)O\C=C/1\C=CC=C1C=O Amb25289187 [0,2,0,0,0,0|1,0,1]=4 2160 B12R1.81 CC(=O)O\C=C\1/C=CC=C1C=O Amb25733098 [0,2,0,0,0,0|1,0,1]=4 2161 B12R1.129 Cc1[n]coc1COS(C)(=O)=O Amb24412128 [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.131 CC(=O)OCC1(C)CC=CC1=O Amb25768524 [0,2,0,0,0,0|1,0,1]=4 2163 B12R1.895 CC(=O)OCc1[n](C)cc[n+]1C Amb22448574 [0,2,0,0,0,0|2,0,0]=4 2164 B10R1.18 CC(=O)Oc1ccccc1 Amb22367025 [0,0,1,1,0,0|1,0,1]=4 2165 B10R1.18 CC(=O)Oc1ccccn1 Amb17619694 [0,0,1,1,0,0|1,0,1]=4 2166 B10R1.39 CC(=O)C/1=CC=C\C1=C\O Amb24582674 [0,0,1,1,0,0|1,0,1]=4 2167 B10R1.39 O\C=C\1/C=CC=C1C(=O)C Amb17593449 [0,0,1,1,0,0|1,0,1]=4 2168 B10R1.61 CC(=O)c1ncccc1O Amb16233269 [0,0,1,1,0,0|2,0,0]=4 2169 B10R1.162 O=C1CC(=CC=CO1)C=O Amb25319299 [0,0,1,1,0,0|0,0,2]=4 2170 B10R1.30 C=CC1CC(=O)OCC1O Amb24352247 [0,0,1,1,0,0|0,0,2]=4 2171 B10R1.30 C=C[C@@H]1CC(=O)OC[C@H]1O Amb24539208 [0,0,1,1,0,0|0,0,2]=4 2172 B10R2.7 C1CCCc2occc21 Amb25146994 [1,0,0,1,0,0|1,0,1]=4 2173 B10R2.7 C1OCCc2cc[s]c21 Amb24331372 [1,0,0,1,0,0|0,1,1]=4 2174 B10R2.32 C1CC(=O)c2c1scc2 Amb2232897 [1,0,0,1,0,0|1,1,0]=4 2175 B10R2.32 O=C1CCc2ccc[n]21 Amb24062043 [1,0,0,1,0,0|2,0,0]=4 2176 B10R2.32 O=C1CNc2occc21 Amb18832976 [1,0,0,1,0,0|2,0,0]=4 2177 B10R2.32 O=C1NCc2[s]ccc21 Amb25772155 [1,0,0,1,0,0|1,1,0]=4 2178 B10R2.32 O=C1NCc2o[n]cc21 Amb18203329 [1,0,0,1,0,0|2,0,0]=4 2179 B10R2.32 O=C1OCc2c[nH]cc21 Amb24104717 [1,0,0,1,0,0|2,0,0]=4 2180 B10R2.136 C1NCC1c2ccco2 Amb25796595 [1,0,0,1,0,0|2,0,0]=4 2181 B10R2.2 O=C1C[n]2cccc2N1 Amb24089146 [0,0,0,1,1,0|2,0,0]=4 2182 B10R2.2 O=C1Cc2c(C1)cc[nH]2 Amb13883726 [0,0,0,1,1,0|1,0,0]=3 2183 B10R2.2 O=C1Cc2cc[s]c2C1 Amb18203007 [0,0,0,1,1,0|0,1,0]=3 2184 B10R2.2 O=C1Cc2cc[s]c2N1 Amb24513841 [0,0,0,1,1,0|1,1,0]=4 2185 B10R2.2 O=C1Cc2ccc[n]2C1 Amb22236118 [0,0,0,1,1,0|1,0,0]=3 2186 B10R2.2 O=C1Cc2ccoc2C1 Amb18203345 [0,0,0,1,1,0|0,0,0]=2 2187 B10R2.2 O=C1Cc2cocc2C1 Amb24405440 [0,0,0,1,1,0|2,0,0]=4 2188 B10R2.2 O=C1Nc2c(C1)scc2 Amb15692243 [0,0,0,1,1,0|1,1,0]=4 2189 B10R2.71 O=C1CC2C=CC(C1)O2 Amb17593269 [0,0,0,1,1,0|0,0,2]=4 2190 B12R2.22 O=C1CC(C1)c2c[n]cc[n]2 Amb24606497 [0,0,0,1,0,1|2,0,0]=4 2191 B12R2.22 O=C1CC(C1)c2cc[n]cc2 Amb24407200 [0,0,0,1,0,1|2,0,0]=4 2192 B12R2.22 O=C1CC(C1)c2ccc[n]c2 Amb25151161 [0,0,0,1,0,1|2,0,0]=4 2193 B12R2.22 O=C1CC(N1)c2cc[n]c[n]2 Amb25169482 [0,0,0,1,0,1|2,0,0]=4 2194 B12R2.22 O=C1CC(N1)c2ccc[n]c2 Amb25322297 [0,0,0,1,0,1|2,0,0]=4 2195 B12R2.22 O=C1CC(N1)c2ccccc2 Amb1993905 [0,0,0,1,0,1|2,0,0]=4 2196 B12R2.22 O=C1C[C@@H](N1)c2ccccc2 Amb24598586 [0,0,0,1,0,1|2,0,0]=4 2197 B12R2.24 O=C1CCc2c(C1)cccc2 Amb2383557 [0,0,0,1,0,1|2,0,0]=4 2198 B12R2.24 O=C1C[n+]2ccccc2CN1 Amb24342049 [0,0,0,1,0,1|2,0,0]=4 2199 B12R2.24 O=C1Cc2[n]cc[n]c2CN1 Amb24414115 [0,0,0,1,0,1|2,0,0]=4 2200 B12R2.24 O=C1Cc2[n]cccc2CC1 Amb22292032 [0,0,0,1,0,1|2,0,0]=4 2201 B12R2.24 O=C1Cc2c[n]c[n]c2CC1 Amb22494044 [0,0,0,1,0,1|2,0,0]=4 2202 B12R2.24 O=C1Cc2c[n]ccc2CC1 Amb24093783 [0,0,0,1,0,1|2,0,0]=4 2203 B12R2.24 O=C1Cc2cc[n]cc2CN1 Amb25760054 [0,0,0,1,0,1|2,0,0]=4 2204 B12R2.24 O=C1Cc2ccc[n]c2CN1 Amb24513882 [0,0,0,1,0,1|2,0,0]=4 2205 B12R2.24 O=C1Cc2ccc[n]c2CO1 Amb22494099 [0,0,0,1,0,1|1,0,0]=3 2206 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [0,0,0,1,0,1|1,0,0]=3 2207 B12R2.24 O=C1NCC2=CC=COC2=N1 Amb24085483 [0,0,0,1,0,1|2,0,0]=4 2208 B12R2.24 O=C1Nc2[n]cccc2CO1 Amb24634652 [0,0,0,1,0,1|2,0,0]=4 2209 B12R2.24 O=C1Nc2ccccc2CO1 Amb19516356 [0,0,0,1,0,1|2,0,0]=4 2210 B12R2.24 O=C1OCc2ccccc2O1 Amb24536007 [0,0,0,1,0,1|2,0,0]=4 2211 B12R2.24 O=S1Cc2[n]cc[n]c2CO1 Amb25151425 [0,0,0,1,0,1|2,0,0]=4 2212 B12R2.3190 CC(=O)N1Cc2ccccc12 Amb25148191 [0,0,0,1,0,1|2,0,0]=4 2213 B12R2.6 C=C1COC(O1)c2ccco2 Amb25189105 [0,0,0,1,0,1|0,0,2]=4 2214 B12R2.6 CC1=NNC(C1)c2ccco2 Amb17112173 [0,0,0,1,0,1|2,0,0]=4 2215 B12R2.6 CC1COC(O1)c2ccco2 Amb24060819 [0,0,0,1,0,1|0,0,2]=4 2216 B12R2.6 Cc1[n]c([n]o1)-c2ccco2 Amb24368022 [0,0,0,1,0,1|1,0,1]=4 2217 B12R2.6 Cc1[n]oc([n]1)-c2ccco2 Amb21936791 [0,0,0,1,0,1|1,0,1]=4 2218 B12R2.6 Cc1cc(o[n]1)-c2ccco2 Amb24562837 [0,0,0,1,0,1|1,0,1]=4 2219 B12R2.6 NC=1CC(CN1)c2ccco2 Amb25708283 [0,0,0,1,0,1|2,0,0]=4 2220 B12R2.6 O=C1CC(=NN1)c2ccco2 Amb24053123 [0,0,0,1,0,1|1,0,1]=4 2221 B12R2.6 O=C1CC(=NO1)c2ccc[s]2 Amb24720970 [0,0,0,1,0,1|0,1,1]=4 2222 B12R2.6 O=C1CC(=NO1)c2ccco2 Amb24592365 [0,0,0,1,0,1|0,0,1]=3 2223 B12R2.6 O=C1CC(C=C1)c2ccco2 Amb25282746 [0,0,0,1,0,1|1,0,0]=3 2224 B12R2.6 O=C1CC(CC1)c2ccc[nH]2 Amb25145918 [0,0,0,1,0,1|2,0,0]=4 2225 B12R2.6 O=C1CC(CN1)c2[n]cco2 Amb24605317 [0,0,0,1,0,1|2,0,0]=4 2226 B12R2.6 O=C1CC(CN1)c2ccc[nH]2 Amb25693174 [0,0,0,1,0,1|2,0,0]=4 2227 B12R2.6 O=C1CCC(=C1)c2ccco2 Amb17138420 [0,0,0,1,0,1|1,0,1]=4 2228 B12R2.6 O=C1CCC(C1)c2ccco2 Amb17138428 [0,0,0,1,0,1|1,0,0]=3 2229 B12R2.6 O=C1CCC(C1)c2cccs2 Amb17138616 [0,0,0,1,0,1|1,1,0]=4 2230 B12R2.6 O=C1CNC(N1)c2ccco2 Amb24370674 [0,0,0,1,0,1|2,0,0]=4 2231 B12R2.6 O=C1NC(=NO1)c2ccco2 Amb18791491 [0,0,0,1,0,1|1,0,1]=4 2232 B12R2.6 O=C1NC(CO1)c2ccc[nH]2 Amb25150573 [0,0,0,1,0,1|2,0,0]=4 2233 B12R2.6 O=C1NCC(C1)c2ccco2 Amb17399916 [0,0,0,1,0,1|1,0,0]=3 2234 B12R2.6 O=C1NCC(C1)c2cccs2 Amb13783611 [0,0,0,1,0,1|1,1,0]=4 2235 B12R2.6 O=C1NCC(N1)c2ccco2 Amb24684091 [0,0,0,1,0,1|2,0,0]=4 2236 B12R2.6 O=C1NCC(O1)c2ccco2 Amb17232113 [0,0,0,1,0,1|2,0,0]=4 2237 B12R2.6 O=C1NC[C@@H](N1)c2ccco2 Amb24717052 [0,0,0,1,0,1|2,0,0]=4 2238 B12R2.6 O=C1NC[C@H](N1)c2ccco2 Amb24334841 [0,0,0,1,0,1|2,0,0]=4 2239 B12R2.6 O=C1N[C@@H](CO1)c2ccc[nH]2 Amb24658612 [0,0,0,1,0,1|2,0,0]=4 2240 B12R2.6 O=C1N[C@@H](CO1)c2ccco2 Amb25365113 [0,0,0,1,0,1|1,0,0]=3 2241 B12R2.6 O=C1N[C@H](CO1)c2ccc[nH]2 Amb25714688 [0,0,0,1,0,1|2,0,0]=4 2242 B12R2.6 O=C1N[C@H](CO1)c2ccco2 Amb25738019 [0,0,0,1,0,1|1,0,0]=3 2243 B12R2.6 OC1CC(CO1)c2ccco2 Amb25214858 [0,0,0,1,0,1|0,0,2]=4 2244 B12R2.114 O=C1Cc2cc[nH]c2CCN1 Amb24486525 [0,0,0,1,0,1|2,0,0]=4 2245 B12R2.114 O=C1Cc2cc[s]c2CCC1 Amb24553612 [0,0,0,1,0,1|1,1,0]=4 2246 B12R2.114 O=C1Cc2cc[s]c2CCN1 Amb24392110 [0,0,0,1,0,1|1,1,0]=4 2247 B12R2.136 O=C1CC(Cc2ccco2)N1 Amb25727849 [0,0,0,1,0,1|1,0,0]=3 2248 B12R2.136 O=C1CC(N1)Sc2ccc[s]2 Amb24538237 [0,0,0,1,0,1|1,1,0]=4 2249 B12R2.136 O=C1C[C@H](Cc2ccc[s]2)N1 Amb24484792 [0,0,0,1,0,1|1,1,0]=4 2250 B12R2.136 O=C1C[C@H](Cc2ccco2)N1 Amb24560953 [0,0,0,1,0,1|1,0,0]=3 2251 B12R2.533 CC1(C)COC1c2ccco2 Amb24425403 [0,0,0,1,0,1|1,0,1]=4 2252 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2ccco2 Amb24741210 [0,0,0,1,0,1|1,0,0]=3 2253 B12R2.1354 CC(=O)[C@H]1C[C@@H]1c2ccc[s]2 Amb25286323 [0,0,0,1,0,1|1,1,0]=4 2254 B12R2.1362 CC(=O)[n]1ccc2occc12 Amb24079340 [0,0,0,1,0,1|1,0,1]=4 2255 B12R2.1362 OC(=O)c1o[n]c2occc12 Amb18201209 [0,0,0,1,0,1|2,0,0]=4 2256 B12R2.2383 O(Cc1ccco1)CC2CO2 Amb1651626 [0,0,0,1,0,1|0,0,2]=4 2257 B12R2.44 O=CC1Cc2ccoc2CC1 Amb18201953 [0,1,0,1,0,0|1,0,1]=4 2258 B12R2.82 CC1C(=O)CCc2[s]ccc21 Amb25334981 [0,1,0,1,0,0|1,1,0]=4 2259 B12R2.82 CC1CCc2occc2C1=O Amb25724309 [0,1,0,1,0,0|1,0,1]=4 2260 B12R2.82 CC1SCc2occc2C1=O Amb25717734 [0,1,0,1,0,0|0,1,1]=4 2261 B12R2.82 O=C1CCc2occc2C1=O Amb25227790 [0,1,0,1,0,0|1,0,1]=4 2262 B12R2.83 O=C1CCc2[nH]ccc2CC1 Amb24643131 [0,1,0,1,0,0|2,0,0]=4 2263 B12R2.134 CC1C(NC1=O)c2ccc[s]2 Amb24681883 [0,1,0,1,0,0|1,1,0]=4 2264 B12R2.134 C[C@@H]1[C@@H](NC1=O)c2ccco2 Amb25306445 [0,1,0,1,0,0|1,0,0]=3 2265 B12R2.134 NC1C(NC1=O)c2ccco2 Amb18201437 [0,1,0,1,0,0|1,0,0]=3 2266 B12R2.134 N[C@@H]1[C@@H](NC1=O)c2ccco2 Amb24608909 [0,1,0,1,0,0|1,0,0]=3 2267 B12R2.134 OC1C(NC1=O)c2ccc[s]2 Amb25112059 [0,1,0,1,0,0|1,1,0]=4 2268 B12R2.252 CC(=O)c1cc2occc2[nH]1 Amb18202193 [0,1,0,1,0,0|1,0,1]=4 2269 B12R2.252 OC(=O)C1Cc2ccoc2C1 Amb25248943 [0,1,0,1,0,0|2,0,0]=4 2270 B12R2.76 Cc1ccc([s]1)C2CC(=O)C2 Amb25770957 [0,1,0,1,0,0|1,1,0]=4 2271 B12R2.76 Cc1ccc(o1)C2CC(=O)N2 Amb25323038 [0,1,0,1,0,0|1,0,0]=3 2272 B12R2.76 O=C1CC(C1)c2ccc(Cl)[s]2 Amb24579925 [0,1,0,1,0,0|1,1,0]=4 2273 B12R2.76 O=C1CC(N1)c2cc(Br)c[s]2 Amb25285787 [0,1,0,1,0,0|1,1,0]=4 2274 B12R2.76 O=C1CC(N1)c2ccc(Br)[s]2 Amb25319058 [0,1,0,1,0,0|1,1,0]=4 2275 B12R2.132 Cc1c[nH]c2CNC(=O)Cc21 Amb24711413 [0,1,0,1,0,0|2,0,0]=4 2276 B12R2.132 Cc1ccc2CNC(=O)C[n]21 Amb24091807 [0,1,0,1,0,0|2,0,0]=4 2277 B12R2.606 Cc1cc2CC(=O)CCc2o1 Amb24486425 [0,1,0,1,0,0|1,0,0]=3 2278 B12R2.111 Cc1cc[s]c1C2CC(=O)N2 Amb24504904 [0,1,0,1,0,0|1,1,0]=4 2279 B12R2.111 Cc1ccoc1C2CC(=O)N2 Amb25122323 [0,1,0,1,0,0|1,0,0]=3 2280 B12R2.612 C[n]1ccc2CC(=O)CCc12 Amb25050260 [0,1,0,1,0,0|2,0,0]=4 2281 B12R2.2314 O=C1C[C@@]2(CO1)OC=CC2=O Amb24722932 [0,1,0,1,0,0|0,0,1]=3 2282 B12R3.1621 C1C2=C[n]3cc1cc3CO2 Amb24061750 [0,0,0,2,0,0|2,0,0]=4 2283 B8R0.16 CC(=O)CC(=CBr)OC Amb25210500 [0,0,1,0,1,0|1,0,1]=4 2284 B8R0.16 CC(=O)CC(C=C)C=C Amb25371536 [0,0,1,0,1,0|1,0,1]=4 2285 B8R0.16 CC(=O)OC(C=C)C=C Amb20248368 [0,0,1,0,1,0|1,0,1]=4 2286 B8R0.5 C=C(CC=C)CC(O)=O Amb25261334 [0,0,1,0,1,0|2,0,0]=4 2287 B8R0.5 CC(=O)CC(=O)\C=C\C Amb25807638 [0,0,1,0,1,0|0,0,2]=4 2288 B8R0.5 C\C=C\C(O)CC(C)=O Amb24676886 [0,0,1,0,1,0|0,0,2]=4 2289 B8R0.5 C\C=C\[C@@H](O)CC(C)=O Amb25143519 [0,0,1,0,1,0|0,0,2]=4 2290 B8R1.7 C=C(N)c1ccco1 Amb25025940 [0,0,0,0,2,0|1,0,1]=4 2291 B8R1.7 CC(=C)c1c[n]co1 Amb25364289 [0,0,0,0,2,0|2,0,0]=4 2292 B8R1.7 CC(=C)c1ccco1 Amb24532306 [0,0,0,0,2,0|1,0,0]=3 2293 B8R1.7 CC(=N)c1ccc[nH]1 Amb25377507 [0,0,0,0,2,0|2,0,0]=4 2294 B8R1.7 CC(=N)c1ccc[s]1 Amb25223960 [0,0,0,0,2,0|1,1,0]=4 2295 B8R1.7 CC(=O)C1=CCCO1 Amb25759909 [0,0,0,0,2,0|0,0,2]=4 2296 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [0,0,0,0,2,0|1,0,1]=4 2297 B8R1.7 CC(=O)C1C=CC=C1 Amb25358886 [0,0,0,0,2,0|1,0,1]=4 2298 B8R1.7 CC(=O)C1C=CC=N1 Amb24645738 [0,0,0,0,2,0|1,0,1]=4 2299 B8R1.7 CC(=O)C=1C=CCC1 Amb24334264 [0,0,0,0,2,0|1,0,1]=4 2300 B8R1.7 CC(=O)c1[n]c[n]o1 Amb25119390 [0,0,0,0,2,0|2,0,0]=4 2301 B8R1.7 CC(=O)c1[n]cco1 Amb19958429 [0,0,0,0,2,0|1,0,0]=3 2302 B8R1.7 CC(=O)c1c[nH]c[n]1 Amb20241216 [0,0,0,0,2,0|2,0,0]=4 2303 B8R1.7 CC(=O)c1c[n]co1 Amb24737064 [0,0,0,0,2,0|1,0,0]=3 2304 B8R1.7 CC(=O)c1cc[n]o1 Amb20242198 [0,0,0,0,2,0|1,0,0]=3 2305 B8R1.7 CC(=O)c1cc[s][n]1 Amb25044341 [0,0,0,0,2,0|2,0,0]=4 2306 B8R1.7 CC(=O)c1ccc[nH]1 Amb1151321 [0,0,0,0,2,0|1,0,0]=3 2307 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,0,0,0,2,0|0,1,0]=3 2308 B8R1.7 CC(=O)c1ccns1 Amb13883508 [0,0,0,0,2,0|1,1,0]=4 2309 B8R1.7 CC(=O)c1cco[n]1 Amb20242197 [0,0,0,0,2,0|2,0,0]=4 2310 B8R1.7 CC(=O)c1cnc[nH]1 Amb17593129 [0,0,0,0,2,0|2,0,0]=4 2311 B8R1.7 CC(=O)c1coc[n]1 Amb18833111 [0,0,0,0,2,0|2,0,0]=4 2312 B8R1.7 CC(=O)c1cocc1 Amb2440799 [0,0,0,0,2,0|2,0,0]=4 2313 B8R1.7 CC(=S)c1ccc[nH]1 Amb24481346 [0,0,0,0,2,0|1,1,0]=4 2314 B8R1.7 CC(=S)c1ccco1 Amb25223522 [0,0,0,0,2,0|0,1,0]=3 2315 B8R1.7 CC(C)=C1C=CC=C1 Amb22043296 [0,0,0,0,2,0|2,0,0]=4 2316 B8R1.7 CC(C)c1ccco1 Amb22168231 [0,0,0,0,2,0|1,0,1]=4 2317 B8R1.7 CC(c1ccco1)Cl Amb17138373 [0,0,0,0,2,0|1,0,1]=4 2318 B8R1.7 CC(c1ccco1)N Amb1154062 [0,0,0,0,2,0|1,0,1]=4 2319 B8R1.7 CN(C)c1ccco1 Amb24655902 [0,0,0,0,2,0|2,0,0]=4 2320 B8R1.7 CS(=O)c1ccco1 Amb25208644 [0,0,0,0,2,0|1,0,0]=3 2321 B8R1.7 C[C@@H](c1ccco1)N Amb13952985 [0,0,0,0,2,0|1,0,1]=4 2322 B8R1.7 C[C@H](c1ccco1)N Amb13952986 [0,0,0,0,2,0|1,0,1]=4 2323 B8R1.7 ClC(=O)c1cccs1 Amb1157175 [0,0,0,0,2,0|1,1,0]=4 2324 B8R1.7 NC(=N)c1ccco1 Amb13952844 [0,0,0,0,2,0|2,0,0]=4 2325 B8R1.7 NC(=O)c1[n]cco1 Amb21963562 [0,0,0,0,2,0|2,0,0]=4 2326 B8R1.7 NC(=O)c1c[n]co1 Amb22000976 [0,0,0,0,2,0|2,0,0]=4 2327 B8R1.7 NC(=O)c1ccc[nH]1 Amb10068201 [0,0,0,0,2,0|2,0,0]=4 2328 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,0,0,0,2,0|1,1,0]=4 2329 B8R1.7 NS(=O)c1ccco1 Amb25216299 [0,0,0,0,2,0|2,0,0]=4 2330 B8R1.7 O=C(Br)c1ccc[nH]1 Amb24465473 [0,0,0,0,2,0|2,0,0]=4 2331 B8R1.7 O=C(Br)c1ccco1 Amb24093659 [0,0,0,0,2,0|1,0,0]=3 2332 B8R1.7 O=C(Cl)c1ccc[nH]1 Amb24090836 [0,0,0,0,2,0|2,0,0]=4 2333 B8R1.7 O=C(F)c1ccco1 Amb25223795 [0,0,0,0,2,0|1,0,0]=3 2334 B8R1.7 OC(=O)C1=CC=CC1 Amb10574923 [0,0,0,0,2,0|2,0,0]=4 2335 B8R1.7 OC(=O)C=1CC=CC1 Amb24553923 [0,0,0,0,2,0|2,0,0]=4 2336 B8R1.7 OC(=O)c1[n]cco1 Amb22899196 [0,0,0,0,2,0|2,0,0]=4 2337 B8R1.7 OC(=O)c1ccc[nH]1 Amb1154382 [0,0,0,0,2,0|2,0,0]=4 2338 B8R1.7 OC(=O)c1ccc[pH]1 Amb24690352 [0,0,0,0,2,0|2,0,0]=4 2339 B8R1.7 OC(=O)c1ccc[s]1 Amb22730855 [0,0,0,0,2,0|1,1,0]=4 2340 B8R1.7 OC(=O)c1ccno1 Amb1152220 [0,0,0,0,2,0|2,0,0]=4 2341 B8R1.7 OC(=O)c1cnco1 Amb1158212 [0,0,0,0,2,0|2,0,0]=4 2342 B8R1.7 OC(=S)c1ccco1 Amb20621386 [0,0,0,0,2,0|1,0,1]=4 2343 B8R1.7 SC(=S)c1ccco1 Amb25024360 [0,0,0,0,2,0|1,1,0]=4 2344 B8R1.7 [O-]C(=O)c1[n]cco1 Amb19889813 [0,0,0,0,2,0|2,0,0]=4 2345 B8R1.7 [O-]C(=O)c1ccco1 Amb22748857 [0,0,0,0,2,0|1,0,0]=3 2346 B8R1.7 [O-]C(=O)c1ccco1 Amb22753185 [0,0,0,0,2,0|1,0,0]=3 2347 B8R1.7 [O-]C(=O)c1cccs1 Amb10067272 [0,0,0,0,2,0|1,1,0]=4 2348 B8R1.7 [O-]C(=O)c1cccs1 Amb10071470 [0,0,0,0,2,0|1,1,0]=4 2349 B8R1.7 [O-][N+](=O)c1ccco1 Amb10573954 [0,0,0,0,2,0|2,0,0]=4 2350 B8R1.35 CC(=O)OCC1CO1 Amb10789133 [0,0,0,0,2,0|0,0,2]=4 2351 B10R1.17 C=COCc1ccccc1 Amb17940722 [1,0,0,0,0,1|1,0,1]=4 2352 B10R1.17 CCOCc1ccc[n][n]1 Amb25253318 [1,0,0,0,0,1|1,0,1]=4 2353 B10R1.17 CNOCc1ccccc1 Amb22059601 [1,0,0,0,0,1|2,0,0]=4 2354 B10R1.17 C\C=N\Cc1cc[n]cc1 Amb25243601 [1,0,0,0,0,1|2,0,0]=4 2355 B10R1.17 N=COCc1ccccc1 Amb22269902 [1,0,0,0,0,1|2,0,0]=4 2356 B10R1.17 N=COCc1ccccc1 Amb24652885 [1,0,0,0,0,1|2,0,0]=4 2357 B10R1.17 O=CCCc1[n]ccc[n]1 Amb24056162 [1,0,0,0,0,1|2,0,0]=4 2358 B10R1.17 O=CCCc1ccccn1 Amb17081674 [1,0,0,0,0,1|2,0,0]=4 2359 B10R1.17 O=CCCc1cccnc1 Amb17081675 [1,0,0,0,0,1|2,0,0]=4 2360 B10R1.17 O=CNCc1c[n]cc[n]1 Amb24478911 [1,0,0,0,0,1|2,0,0]=4 2361 B10R1.17 O=CNCc1cc[n]c[n]1 Amb24072457 [1,0,0,0,0,1|2,0,0]=4 2362 B10R1.17 O=CNCc1ccc[n][n]1 Amb25696123 [1,0,0,0,0,1|2,0,0]=4 2363 B10R1.17 O=CNCc1cccc[n]1 Amb22370826 [1,0,0,0,0,1|2,0,0]=4 2364 B10R1.17 O=CNCc1ccccc1 Amb1916036 [1,0,0,0,0,1|2,0,0]=4 2365 B12R1.252 CC(=O)CCCc1cccc[n]1 Amb22284162 [0,0,0,0,0,2|2,0,0]=4 2366 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,0,2|2,0,0]=4 2367 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,0,2|2,0,0]=4 2368 B12R1.252 CC(=O)NCCc1c[n]cc[n]1 Amb25277212 [0,0,0,0,0,2|2,0,0]=4 2369 B12R1.252 CC(=O)NCCc1cccc[n]1 Amb22751848 [0,0,0,0,0,2|2,0,0]=4 2370 B12R1.252 CC(=O)NCCc1ccncc1 Amb1066478 [0,0,0,0,0,2|2,0,0]=4 2371 B12R1.252 CC(=O)NOCc1[n]ccc[n]1 Amb24749174 [0,0,0,0,0,2|1,0,0]=3 2372 B12R1.252 CC(=O)NOCc1ccc[n]c1 Amb24420633 [0,0,0,0,0,2|1,0,0]=3 2373 B12R1.252 CC(=O)NOCc1cccc[n]1 Amb25077790 [0,0,0,0,0,2|1,0,0]=3 2374 B12R1.252 CC(=O)NOCc1ccccc1 Amb10571914 [0,0,0,0,0,2|1,0,0]=3 2375 B12R1.252 CC(=O)OCOc1cccc[n]1 Amb24100497 [0,0,0,0,0,2|1,0,0]=3 2376 B12R1.252 CC(=O)O[Hg]Cc1ccccc1 Amb22347638 [0,0,0,0,0,2|1,0,0]=3 2377 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,0,2|1,0,1]=4 2378 B12R1.252 CC(=O)SCCc1ccccn1 Amb17619708 [0,0,0,0,0,2|1,1,0]=4 2379 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb25179518 [0,0,0,0,0,2|2,0,0]=4 2380 B12R1.252 CS(=O)NOCc1ccccc1 Amb24620390 [0,0,0,0,0,2|2,0,0]=4 2381 B12R1.252 NC(=O)NOCc1cccc[n]1 Amb24343576 [0,0,0,0,0,2|2,0,0]=4 2382 B12R1.252 NC(=O)NOCc1ccccc1 Amb1199324 [0,0,0,0,0,2|2,0,0]=4 2383 B12R1.252 OC(=O)COCc1ccncc1 Amb13883046 [0,0,0,0,0,2|2,0,0]=4 2384 B12R1.255 CC(=O)CC\C=C\c1ccc[s]1 Amb18224700 [0,0,0,0,0,2|1,1,0]=4 2385 B12R1.255 C\C(=C\CNCc1ccco1)\Cl Amb15695726 [0,0,0,0,0,2|2,0,0]=4 2386 B12R1.255 NC(=O)CCNCc1ccco1 Amb19960048 [0,0,0,0,0,2|2,0,0]=4 2387 B12R1.255 NC(=O)N\N=C\Cc1ccco1 Amb24595746 [0,0,0,0,0,2|2,0,0]=4 2388 B12R1.255 OC(=O)C=CSCc1ccco1 Amb20667695 [0,0,0,0,0,2|1,1,0]=4 2389 B12R1.255 OC(=O)CO\N=C\c1ccco1 Amb1852351 [0,0,0,0,0,2|1,0,1]=4