0 B12R1.27 BrCC(=O)NCc1ccccc1 Amb2221074 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 BrCC(=O)\C=C\c1ccccc1 Amb17596167 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.27 C#CC(=O)C#Cc1ccccc1 Amb24690594 [0,0,0,0,0,0|1,0,3]=4 3 B12R1.27 C#CC(=O)CCc1ccccc1 Amb24483845 [0,0,0,0,0,0|1,0,3]=4 4 B12R1.27 C#CC(=O)CNc1ccccc1 Amb24359731 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.27 C#CC(=O)COc1ccccc1 Amb24483847 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.27 C#CC(=O)NCc1ccccc1 Amb10572437 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.27 C#CC(=O)OCc1ccccc1 Amb24057136 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.27 C#CC(=O)\C=C\c1ccccc1 Amb25706970 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.27 C#C[C@@H](O)\C=C\c1ccccc1 Amb24592205 [0,0,0,0,0,0|1,0,3]=4 10 B12R1.27 C=CC(=O)CCc1ccccc1 Amb10562280 [0,0,0,0,0,0|1,0,3]=4 11 B12R1.27 C=CC(=O)NCc1ccccc1 Amb1196142 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.27 C=CC(=O)OCc1ccccc1 Amb10807780 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.27 CC(C=Cc1ccccc1)=NO Amb24101081 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.27 CC(C=O)=C=Cc1ccccc1 Amb24452570 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.27 CC(C=O)\C=C\c1ccccc1 Amb24573489 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.27 CC(CO)\C=C\c1ccccc1 Amb25378732 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.27 CCC(=C)CNc1ccccc1 Amb25093473 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.27 CCC(=N)NCc1ccccc1 Amb24388885 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.27 CCC(=O)C#Cc1c[n]ccc1 Amb24532730 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.27 CCC(=O)C#Cc1ccccc1 Amb10562235 [0,0,0,0,0,0|1,0,2]=3 21 B12R1.27 CCC(=O)NCc1ccccn1 Amb17736593 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.27 CCC(=O)NCc1ccncc1 Amb17798077 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.27 CCC(=O)NNc1c[n]ccc1 Amb25057552 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.27 CCC(=O)O[Hg]c1ccccc1 Amb22359615 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.27 CCC(=O)\C=C/c1ccccc1 Amb25271028 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.27 CCC(=O)\C=C\c1ccc[n]c1 Amb25358914 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.27 CCC(=O)\C=C\c1cccc[n]1 Amb24487185 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [0,0,0,0,0,0|1,0,0]=1 29 B12R1.27 CCC(=O)\N=N\c1ccccc1 Amb24644165 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.27 CCC(Cl)\C=C\c1ccccc1 Amb25210818 [0,0,0,0,0,0|2,0,1]=3 31 B12R1.27 CCC(N)\C=C\c1c[n]ccc1 Amb24526364 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [0,0,0,0,0,0|1,0,2]=3 33 B12R1.27 CCC(O)\C=N\c1ccccc1 Amb25333476 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.27 CCS(=O)NCc1ccccc1 Amb25359778 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.27 CC[C@@H](O)\C=C\c1ccccc1 Amb25320497 [0,0,0,0,0,0|1,0,2]=3 36 B12R1.27 CNC(=N)COc1ccccc1 Amb25336063 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.27 CNC(=N)CSc1ccccc1 Amb24485624 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.27 CNC(=N)NCc1ccccc1 Amb18798221 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.27 CNC(=N)NNc1ccccc1 Amb25227942 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.27 CNC(=O)C#Cc1ccccc1 Amb2106613 [0,0,0,0,0,0|1,0,2]=3 41 B12R1.27 CNC(=O)COc1ccc[n]c1 Amb24622499 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.27 CNC(=O)CSc1ccccn1 Amb13953848 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.27 CNC(=O)NCc1ccccc1 Amb2132763 [0,0,0,0,0,0|2,0,1]=3 44 B12R1.27 CNC(=O)NCc1ccccn1 Amb2132790 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.27 CNC(=O)NCc1cccnc1 Amb2132774 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.27 CNC(=O)NCc1ccncc1 Amb2132791 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.27 CNC(=O)NNc1ccccc1 Amb25751263 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.27 CNC(=O)OCc1ccc[n]c1 Amb24532586 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.27 CNC(=O)SCc1cccc[n]1 Amb25054647 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.27 CNC(=O)\C=C\c1c[n]cc[n]1 Amb24343779 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.27 CNC(=O)\C=C\c1cccc[n]1 Amb24056147 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.27 CNC(=O)\N=C\c1ccccc1 Amb24497304 [0,0,0,0,0,0|2,0,0]=2 53 B12R1.27 CNC(=O)\N=N\c1ccccc1 Amb25313077 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.27 CNC(=S)\N=N\c1ccccc1 Amb24664353 [0,0,0,0,0,0|3,1,0]=4 55 B12R1.27 CNC(C)\C=C\c1c[n]ccc1 Amb23442768 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.27 CNC(C)\C=C\c1cc[n]cc1 Amb25158209 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.27 CNC(C)\C=C\c1ccccc1 Amb18126307 [0,0,0,0,0,0|2,0,1]=3 58 B12R1.27 COC(=N)CCc1cc[n]cc1 Amb18563635 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.27 COC(=N)CCc1ccc[n]c1 Amb18563630 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.27 COC(=N)CCc1cccc[n]1 Amb18563625 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.27 COC(=N)CNc1ccccc1 Amb24597022 [0,0,0,0,0,0|2,0,1]=3 62 B12R1.27 COC(=N)COc1ccccc1 Amb18798404 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.27 COC(=O)/C=C/c1cccnc1 Amb17844385 [0,0,0,0,0,0|1,0,0]=1 64 B12R1.27 COC(=O)C#Cc1c[n]cc[n]1 Amb24394719 [0,0,0,0,0,0|2,0,2]=4 65 B12R1.27 COC(=O)C#Cc1cc[n][n]c1 Amb24736910 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.27 COC(=O)C#Cc1ccccn1 Amb1039304 [0,0,0,0,0,0|1,0,2]=3 67 B12R1.27 COC(=O)C=Cc1c[n]c[n]c1 Amb24093840 [0,0,0,0,0,0|2,0,0]=2 68 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb20668041 [0,0,0,0,0,0|1,0,0]=1 69 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb24074160 [0,0,0,0,0,0|1,0,0]=1 70 B12R1.27 COC(=O)CCc1c[n]c[n]c1 Amb21922892 [0,0,0,0,0,0|2,0,2]=4 71 B12R1.27 COC(=O)CCc1cc[n][n]c1 Amb23454523 [0,0,0,0,0,0|2,0,2]=4 72 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,0,0,0,0,0|1,0,2]=3 73 B12R1.27 COC(=O)CNc1c[n]c[n]c1 Amb18270088 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.27 COC(=O)CNc1cc[n]c[n]1 Amb18788537 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.27 COC(=O)CNc1ccc[n][n]1 Amb19023174 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.27 COC(=O)CNc1ccc[n]c1 Amb18270093 [0,0,0,0,0,0|2,0,1]=3 77 B12R1.27 COC(=O)COc1cccc[n]1 Amb24095859 [0,0,0,0,0,0|2,0,1]=3 78 B12R1.27 COC(=O)CSc1cccc[n]1 Amb22280333 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.27 COC(=O)NCc1cc[n]c[n]1 Amb25321776 [0,0,0,0,0,0|3,0,1]=4 80 B12R1.27 COC(=O)NCc1ccccn1 Amb17736865 [0,0,0,0,0,0|2,0,1]=3 81 B12R1.27 COC(=O)NCc1cccnc1 Amb17790231 [0,0,0,0,0,0|2,0,1]=3 82 B12R1.27 COC(=O)NNc1[n]ccc[n]1 Amb25059265 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.27 COC(=O)NNc1c[n]cc[n]1 Amb25297240 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.27 COC(=O)N\C=C/1\CCC=CC1 Amb24757713 [0,0,0,0,0,0|1,0,3]=4 85 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,0,0,0,0,0|1,0,1]=2 86 B12R1.27 COC(=O)\C=C\C=1CCCCC1 Amb24488525 [0,0,0,0,0,0|0,0,4]=4 87 B12R1.27 COC(=O)\C=C\c1[n]ccc[n]1 Amb25337205 [0,0,0,0,0,0|2,0,0]=2 88 B12R1.27 COC(=O)\C=C\c1c[n]cc[n]1 Amb22524637 [0,0,0,0,0,0|2,0,0]=2 89 B12R1.27 COC(=O)\C=C\c1cccc[n]1 Amb25036096 [0,0,0,0,0,0|1,0,0]=1 90 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb10604946 [0,0,0,0,0,0|1,0,0]=1 91 B12R1.27 COC(=O)\N=N\c1ccccc1 Amb25836861 [0,0,0,0,0,0|2,0,0]=2 92 B12R1.27 COC(C)CNc1ccccc1 Amb19025483 [0,0,0,0,0,0|2,0,2]=4 93 B12R1.27 CSC(=N)NCc1ccccc1 Amb25760156 [0,0,0,0,0,0|2,1,1]=4 94 B12R1.27 CSC(=O)NCc1ccccc1 Amb24495681 [0,0,0,0,0,0|1,1,1]=3 95 B12R1.27 CSC([S-])=NNc1ccccc1 Amb22446044 [0,0,0,0,0,0|2,2,0]=4 96 B12R1.27 CSC([S-])=NNc1ccccc1 Amb22446069 [0,0,0,0,0,0|2,2,0]=4 97 B12R1.27 C[C@@H](C=O)\C=C\c1ccccc1 Amb24441531 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.27 C[C@@H](CO)\C=C\c1ccccc1 Amb25127764 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.27 C\C(=C/Nc1ccccc1)\C#N Amb25800178 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.27 C\C(=N/O)\N=C\c1ccccc1 Amb21847007 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.27 C\C(\C=O)=C/Cc1ccccc1 Amb18645371 [0,0,0,0,0,0|3,0,1]=4 102 B12R1.27 C\C(\C=O)=C/Nc1ccccc1 Amb18645511 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.27 C\C(\C=O)=C\Cc1ccccc1 Amb24418390 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.27 C\C(\C=O)=C\Sc1ccccc1 Amb25277189 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.27 C\C(\CCl)=C\Cc1ccccc1 Amb25279568 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.27 C\C(\CN)=C\Cc1ccccc1 Amb24438874 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.27 C\C(\CNc1ccccc1)=C\C Amb24636864 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.27 C\N=C(\SCc1ccccc1)/N Amb11238902 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.27 ClCC(=O)CCc1ccccc1 Amb17139043 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.27 ClCC(=O)COc1ccccc1 Amb17139095 [0,0,0,0,0,0|3,0,1]=4 111 B12R1.27 ClCC(=O)\C=C\c1ccccc1 Amb17594640 [0,0,0,0,0,0|2,0,0]=2 112 B12R1.27 ClCC(Cl)\C=C\c1ccccc1 Amb25124868 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.27 Cl\C(\C=Cc1ccccc1)=C\Cl Amb25179203 [0,0,0,0,0,0|3,0,0]=3 114 B12R1.27 Cl\C(\CCl)=C/Cc1ccccc1 Amb25803609 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.27 N#CC(=O)C#Cc1ccccc1 Amb24736166 [0,0,0,0,0,0|2,0,2]=4 116 B12R1.27 N#CC(=O)CCc1ccccc1 Amb25143496 [0,0,0,0,0,0|2,0,2]=4 117 B12R1.27 N#CC(=O)\C=C\c1ccccc1 Amb10069227 [0,0,0,0,0,0|2,0,0]=2 118 B12R1.27 N#CC(Cl)\C=C\c1ccccc1 Amb24710066 [0,0,0,0,0,0|3,0,1]=4 119 B12R1.27 N#C[C@@H](O)\C=C\c1ccccc1 Amb24581221 [0,0,0,0,0,0|2,0,2]=4 120 B12R1.27 N#C[C@H](O)\C=C\c1ccccc1 Amb25371981 [0,0,0,0,0,0|2,0,2]=4 121 B12R1.27 N=C(\C=C\c1cc[n]cc1)NO Amb25366426 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.27 N=C(\C=C\c1cccc[n]1)NO Amb25176332 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.27 NC(CO)\C=C\c1ccccc1 Amb25201509 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.27 NC(\C=C\c1c[n]ccc1)=NO Amb25122837 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [0,0,0,0,0,0|2,0,2]=4 126 B12R1.27 NCC(=O)NNc1ccccc1 Amb18646327 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.27 NCC(=O)OCc1ccccc1 Amb1207685 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb18908593 [0,0,0,0,0,0|2,0,0]=2 131 B12R1.27 NCC(N)\C=C\c1ccccc1 Amb24678472 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.27 NCC(O)\C=C\c1ccccc1 Amb18126377 [0,0,0,0,0,0|2,0,2]=4 133 B12R1.27 NC\C(\F)=C\Cc1ccccc1 Amb24743578 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.27 NNC(=N)\N=C\c1ccccc1 Amb25709604 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.27 NNC(=O)C#Cc1ccccc1 Amb25701130 [0,0,0,0,0,0|2,0,2]=4 136 B12R1.27 NNC(=O)CCc1ccccc1 Amb1130599 [0,0,0,0,0,0|2,0,2]=4 137 B12R1.27 NNC(=O)CNc1ccccc1 Amb1104534 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.27 NNC(=O)SCc1ccccc1 Amb24423487 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb25838381 [0,0,0,0,0,0|2,0,0]=2 140 B12R1.27 N[C@@H](CO)\C=C\c1ccccc1 Amb24565958 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.27 N\C(\C=Cc1ccccc1)=N\O Amb25065269 [0,0,0,0,0,0|3,0,0]=3 142 B12R1.27 N\C=C(\Br)/C=Cc1cccc[n]1 Amb25225662 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.27 O=C(C=O)OCc1ccccc1 Amb18645967 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [0,0,0,0,0,0|2,0,2]=4 145 B12R1.27 O=C(CBr)COc1ccccc1 Amb20668077 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.27 O=C(CCl)NNc1ccccc1 Amb22411427 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.27 O=C(CCl)\C=C\c1cccc[n]1 Amb24692734 [0,0,0,0,0,0|3,0,0]=3 148 B12R1.27 O=C(CF)C#Cc1ccccc1 Amb25373340 [0,0,0,0,0,0|2,0,2]=4 149 B12R1.27 O=C(CF)\C=C\c1ccccc1 Amb24572849 [0,0,0,0,0,0|2,0,0]=2 150 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [0,0,0,0,0,0|3,0,1]=4 152 B12R1.27 O=C(NCl)NCc1ccccc1 Amb22735087 [0,0,0,0,0,0|3,0,1]=4 153 B12R1.27 O=C(NCl)OCc1ccccc1 Amb21948731 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.27 O=C(\C=C\c1ccccc1)C=O Amb18126247 [0,0,0,0,0,0|2,0,0]=2 155 B12R1.27 O=C\C(\Cl)=C/Nc1ccccc1 Amb24603974 [0,0,0,0,0,0|4,0,0]=4 156 B12R1.27 O=C\C(\Cl)=C\Nc1ccccc1 Amb25797781 [0,0,0,0,0,0|4,0,0]=4 157 B12R1.27 O=C\C(\F)=C/Cc1ccccc1 Amb24540284 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.27 OC(CF)\C=C\c1ccccc1 Amb25284420 [0,0,0,0,0,0|2,0,2]=4 159 B12R1.27 OCC(=O)C#Cc1ccccc1 Amb25094460 [0,0,0,0,0,0|2,0,2]=4 160 B12R1.27 OCC(=O)CCc1ccccc1 Amb18563609 [0,0,0,0,0,0|2,0,2]=4 161 B12R1.27 OCC(=O)COc1ccccc1 Amb18563713 [0,0,0,0,0,0|3,0,1]=4 162 B12R1.27 OCC(=O)NCc1ccccc1 Amb1111331 [0,0,0,0,0,0|3,0,1]=4 163 B12R1.27 OCC(=O)\C=C\c1ccccc1 Amb25142729 [0,0,0,0,0,0|2,0,0]=2 164 B12R1.27 OCC(Cl)\C=C\c1ccccc1 Amb24711501 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.27 OCC(O)\C=C\c1ccccc1 Amb24496400 [0,0,0,0,0,0|2,0,2]=4 166 B12R1.27 OC[C@@H](O)\C=C\c1ccccc1 Amb24371109 [0,0,0,0,0,0|2,0,2]=4 167 B12R1.27 OC\C(=C/Cc1ccccc1)\C Amb17594048 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.27 OC\C(\F)=C\Cc1ccccc1 Amb24661184 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.27 ONC(=O)OCc1ccccc1 Amb2445312 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.27 ONC(=O)\C=C\c1c[n]cc[n]1 Amb24734705 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.27 ONC(=O)\C=C\c1cc[n]cc1 Amb22346729 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.27 ONC(=O)\C=C\c1cc[n]cc1 Amb24565929 [0,0,0,0,0,0|3,0,0]=3 173 B12R1.27 O[C@H](CCl)\C=C\c1ccccc1 Amb24565740 [0,0,0,0,0,0|2,0,2]=4 174 B12R1.27 O[C@H](CF)\C=C\c1ccccc1 Amb24497699 [0,0,0,0,0,0|2,0,2]=4 175 B12R1.27 O\C(\C=O)=C/Nc1ccccc1 Amb25187506 [0,0,0,0,0,0|3,0,1]=4 176 B12R1.27 [NH4]OP(=O)OCc1ccccc1 Amb22346178 [0,0,0,0,0,0|3,0,1]=4 177 B11R1.28 BrCC=C=Cc1ccccc1 Amb24624052 [1,0,0,0,0,0|2,0,1]=4 178 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.28 BrC\C=C\Cc1ccccc1 Amb25039914 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.28 C/C=C/C=C/c1ccccc1 Amb17939507 [1,0,0,0,0,0|1,0,0]=2 181 B11R1.28 C/C=C/CCc1ccccc1 Amb17940149 [1,0,0,0,0,0|1,0,2]=4 182 B11R1.28 CC=CCCc1ccccc1 Amb24062987 [1,0,0,0,0,0|1,0,2]=4 183 B11R1.28 CCCC=Cc1cc[n]cc1 Amb24073920 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.28 CCC\C=C/c1cccc[n]1 Amb24101905 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.28 CCC\C=C\c1cc[n]cc1 Amb24103147 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.28 CCC\C=C\c1cccc[n]1 Amb22170161 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.28 CCO\N=C\c1ccccc1 Amb25712631 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.28 CC\C=C/Cc1cc[n]cc1 Amb24103208 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.28 CC\N=C\Nc1ccccc1 Amb24384245 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.28 CNC\C=C\c1c[n]ccc1 Amb23442752 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [1,0,0,0,0,0|1,0,1]=3 193 B11R1.28 COCC#Cc1ccccc1 Amb25308232 [1,0,0,0,0,0|0,0,3]=4 194 B11R1.28 COCNCc1ccccc1 Amb25053350 [1,0,0,0,0,0|1,0,2]=4 195 B11R1.28 COC\C=C\c1cccc[n]1 Amb24101883 [1,0,0,0,0,0|1,0,1]=3 196 B11R1.28 CONCCc1ccccc1 Amb22897018 [1,0,0,0,0,0|1,0,2]=4 197 B11R1.28 CONCOc1ccccc1 Amb24096695 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.28 CO\C=C/Oc1ccccc1 Amb24069136 [1,0,0,0,0,0|1,0,0]=2 199 B11R1.28 CO\C=C\Oc1ccccc1 Amb24069134 [1,0,0,0,0,0|1,0,0]=2 200 B11R1.28 C\C=C/N=C/c1c[n]ccc1 Amb24486027 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.28 C\C=C/N=C\c1cc[n]cc1 Amb25793611 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.28 C\C=C\C=C\c1cccc[n]1 Amb24101888 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.28 C\C=C\C=Cc1cccc[n]1 Amb25681413 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.28 C\C=C\N=Cc1c[n]ccc1 Amb24518405 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.28 C\C=C\N=Cc1cc[n]cc1 Amb24518438 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.28 ClC\C=C\Cc1ccccc1 Amb24462747 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.28 ClC\C=C\Oc1ccccc1 Amb24548862 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 Amb22897734 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.28 N#C\C=C\Nc1ccccc1 Amb18124676 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.28 NC\C=C\Cc1ccccc1 Amb24351087 [1,0,0,0,0,0|2,0,1]=4 213 B11R1.28 NNC\C=C\c1ccccc1 Amb24563952 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.28 NOC\C=C\c1c[n]ccc1 Amb24085612 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.28 NOC\C=C\c1ccccc1 Amb18124997 [1,0,0,0,0,0|1,0,1]=3 216 B11R1.28 N\C=C/C=C\c1cc[n]cc1 Amb24577176 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.28 N\C=C\C=Cc1cc[n]cc1 Amb25254887 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.28 N\C=C\C=Cc1ccccc1 Amb24628941 [1,0,0,0,0,0|2,0,0]=3 219 B11R1.28 N\C=C\C=Nc1ccccc1 Amb24697696 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.28 O=C=N\C=C\c1ccccc1 Amb23441382 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.28 O=CC=C=Cc1ccccc1 Amb24435266 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.28 O=CC\C=C\c1ccccc1 Amb18644267 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.28 O=CN\C=C\c1ccccc1 Amb25327993 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.28 O=C\C=C/Sc1ccccc1 Amb25827121 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.28 O=C\C=C\Cc1ccccc1 Amb18124787 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.28 O=C\C=C\Nc1ccccc1 Amb18124821 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.28 O=C\C=C\Oc1ccccc1 Amb24585165 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.28 O=C\C=C\Sc1ccccc1 Amb10563475 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.28 OCC=C=Cc1ccccc1 Amb24398063 [1,0,0,0,0,0|2,0,1]=4 230 B11R1.28 OCC\C=C\c1ccccc1 Amb24756581 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.28 OC\C=C\Cc1ccccc1 Amb25074433 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.28 OC\C=C\Nc1ccccc1 Amb25228349 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.28 OC\C=C\Oc1ccccc1 Amb25283274 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.28 O\N=C\C=C/c1ccccc1 Amb24668019 [1,0,0,0,0,0|2,0,0]=3 235 B11R1.28 O\N=C\C=Cc1c[n]ccc1 Amb24358914 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.28 O\N=C\C=Cc1cc[n]cc1 Amb25677492 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.28 SCC\C=C\c1ccccc1 Amb24390438 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.91 CC(=C)COc1ccccc1 Amb10601706 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.91 CC(=C)OCc1ccccc1 Amb22731238 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.91 CC(=C)\C=C\c1ccc[n]c1 Amb24085618 [1,0,0,0,0,0|2,0,0]=3 241 B11R1.91 CC(=C)\C=C\c1ccccc1 Amb22546632 [1,0,0,0,0,0|1,0,0]=2 242 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [1,0,0,0,0,0|2,0,1]=4 243 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.91 CC(=NCc1ccccc1)C Amb10568469 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.91 CC(=O)C=Cc1ccc[nH+]c1 Amb24099599 [1,0,0,0,0,0|1,0,0]=2 246 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [1,0,0,0,0,0|1,0,2]=4 247 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [1,0,0,0,0,0|1,0,2]=4 248 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [1,0,0,0,0,0|1,0,2]=4 249 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [1,0,0,0,0,0|1,0,1]=3 250 B11R1.91 CC(=O)CSc1cc[n]cc1 Amb25344740 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [1,0,0,0,0,0|1,0,1]=3 252 B11R1.91 CC(=O)NNc1c[n]ccc1 Amb25272223 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.91 CC(=O)NNc1cc[n]cc1 Amb24416297 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.91 CC(=O)NOc1ccccc1 Amb24104585 [1,0,0,0,0,0|2,0,0]=3 255 B11R1.91 CC(=O)SCc1ccc[n]c1 Amb22274513 [1,0,0,0,0,0|2,0,1]=4 256 B11R1.91 CC(=O)SCc1cccc[n]1 Amb22274512 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.91 CC(=O)SSc1ccccc1 Amb24370825 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.91 CC(=O)\C=C/c1cccc[n]1 Amb24532942 [1,0,0,0,0,0|1,0,0]=2 259 B11R1.91 CC(=O)\C=C/c1ccccc1 Amb24380759 [1,0,0,0,0,0|0,0,0]=1 260 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [1,0,0,0,0,0|0,0,0]=1 261 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [1,0,0,0,0,0|1,0,0]=2 262 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb17477757 [1,0,0,0,0,0|1,0,0]=2 263 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb17477756 [1,0,0,0,0,0|1,0,0]=2 264 B11R1.91 CC(=O)\C=N\c1ccccc1 Amb25230668 [1,0,0,0,0,0|1,0,0]=2 265 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [1,0,0,0,0,0|2,0,0]=3 266 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [1,0,0,0,0,0|1,1,1]=4 267 B11R1.91 CC(=S)OCc1ccccc1 Amb22168133 [1,0,0,0,0,0|1,1,1]=4 268 B11R1.91 CC(Br)\C=C\c1c[n]ccc1 Amb25150522 [1,0,0,0,0,0|2,0,1]=4 269 B11R1.91 CC(Br)\C=C\c1cccc[n]1 Amb25115437 [1,0,0,0,0,0|2,0,1]=4 270 B11R1.91 CC(C)=CNc1ccccc1 Amb24715634 [1,0,0,0,0,0|2,0,0]=3 271 B11R1.91 CC(C)=NNc1ccccc1 Amb20240635 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [1,0,0,0,0,0|1,0,1]=3 273 B11R1.91 CC(C)\N=C\c1ccccc1 Amb22734192 [1,0,0,0,0,0|2,0,1]=4 274 B11R1.91 CC(N)C=Cc1ccccc1 Amb23536549 [1,0,0,0,0,0|1,0,1]=3 275 B11R1.91 CC(N)\C=C\c1c[n]ccc1 Amb24664994 [1,0,0,0,0,0|2,0,1]=4 276 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [1,0,0,0,0,0|1,0,1]=3 277 B11R1.91 CC(N)\C=C\c1ccccc1 Amb21961471 [1,0,0,0,0,0|1,0,1]=3 278 B11R1.91 CC(O)\C=C\c1c[n]ccc1 Amb25847379 [1,0,0,0,0,0|1,0,2]=4 279 B11R1.91 CC(\C=C\c1ccccc1)O Amb17593695 [1,0,0,0,0,0|0,0,2]=3 280 B11R1.91 CC(\C=C\c1ccccn1)C Amb10574376 [1,0,0,0,0,0|2,0,1]=4 281 B11R1.91 CN(C)/N=C/c1ccccc1 Amb17703328 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.91 CN(C)C=Cc1cc[n]cc1 Amb24102740 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.91 CN(C)\C=C/c1cccc[n]1 Amb24068892 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.91 CN(C)\C=C\c1c[n]ccc1 Amb22394894 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.91 CN(C)\C=C\c1cc[n]cc1 Amb24355668 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.91 CN(C)\C=C\c1cccc[n]1 Amb24068827 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.91 CN(C)\C=C\c1ccccc1 Amb25056753 [1,0,0,0,0,0|2,0,0]=3 288 B11R1.91 CN(C)\C=N\c1ccccc1 Amb22357796 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb24359903 [1,0,0,0,0,0|1,0,1]=3 290 B11R1.91 C[C@@H](O)\C=C\c1c[n]ccc1 Amb24698684 [1,0,0,0,0,0|1,0,2]=4 291 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb25809484 [1,0,0,0,0,0|1,0,1]=3 292 B11R1.91 C[NH+](\C=N\c1ccccc1)C Amb16205285 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.91 C\C(=C\C[n+]1ccccc1)\Cl Amb2228412 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.91 C\C(\N)=C\Oc1ccccc1 Amb24674154 [1,0,0,0,0,0|2,0,0]=3 295 B11R1.91 C\C(\N)=N\Nc1ccccc1 Amb24417520 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.91 C\C(\N)=N\Oc1ccccc1 Amb25042875 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.91 ClC(Cl)\C=C\c1ccccc1 Amb24634340 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.91 NC(=N)C=Cc1ccccc1 Amb22464717 [1,0,0,0,0,0|2,0,0]=3 299 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22755484 [1,0,0,0,0,0|2,0,0]=3 300 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22756994 [1,0,0,0,0,0|2,0,0]=3 301 B11R1.91 NC(=N)\N=C\c1ccccc1 Amb24435682 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [1,0,0,0,0,0|2,0,1]=4 303 B11R1.91 NC(=O)NOc1ccccc1 Amb24726052 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [1,0,0,0,0,0|2,0,0]=3 305 B11R1.91 NC(=S)\C=C\c1cc[n]cc1 Amb25779950 [1,0,0,0,0,0|2,1,0]=4 306 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [1,0,0,0,0,0|1,1,0]=3 307 B11R1.91 O=C(Cl)NCc1ccccc1 Amb25772230 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.91 O=C(S)CCc1ccccc1 Amb24733716 [1,0,0,0,0,0|0,1,2]=4 309 B11R1.91 OB(O)\C=C/c1ccccc1 Amb24117859 [1,0,0,0,0,0|1,0,1]=3 310 B11R1.91 OB(O)\C=C\c1c[n]ccc1 Amb24068965 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.91 OB(\C=C\c1ccccc1)O Amb2447227 [1,0,0,0,0,0|1,0,1]=3 312 B11R1.91 OC(=O)C#Cc1c[n]ccc1 Amb20673066 [1,0,0,0,0,0|1,0,2]=4 313 B11R1.91 OC(=O)C#Cc1cc[n]cc1 Amb20673077 [1,0,0,0,0,0|1,0,2]=4 314 B11R1.91 OC(=O)C#Cc1ccccn1 Amb16233314 [1,0,0,0,0,0|1,0,2]=4 315 B11R1.91 OC(=O)C=Cc1c[n]cc[n]1 Amb24082749 [1,0,0,0,0,0|2,0,0]=3 316 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [1,0,0,0,0,0|0,0,2]=3 317 B11R1.91 OC(=O)CCc1ccccn1 Amb1102533 [1,0,0,0,0,0|1,0,2]=4 318 B11R1.91 OC(=O)CCc1cccnc1 Amb1214870 [1,0,0,0,0,0|1,0,2]=4 319 B11R1.91 OC(=O)CCc1ccncc1 Amb1090849 [1,0,0,0,0,0|1,0,2]=4 320 B11R1.91 OC(=O)CNc1cc[n]cc1 Amb21955325 [1,0,0,0,0,0|2,0,1]=4 321 B11R1.91 OC(=O)CNc1ccc[n]c1 Amb22035240 [1,0,0,0,0,0|2,0,1]=4 322 B11R1.91 OC(=O)CNc1cccc[nH+]1 Amb10564534 [1,0,0,0,0,0|2,0,1]=4 323 B11R1.91 OC(=O)CNc1cccc[n]1 Amb22495404 [1,0,0,0,0,0|2,0,1]=4 324 B11R1.91 OC(=O)CNc1cccnc1 Amb17593781 [1,0,0,0,0,0|2,0,1]=4 325 B11R1.91 OC(=O)COc1c[n]ccc1 Amb22738612 [1,0,0,0,0,0|2,0,1]=4 326 B11R1.91 OC(=O)COc1cc[n]cc1 Amb18125520 [1,0,0,0,0,0|2,0,1]=4 327 B11R1.91 OC(=O)COc1ccc[nH+]c1 Amb22370885 [1,0,0,0,0,0|2,0,1]=4 328 B11R1.91 OC(=O)COc1ccccc1 Amb1213413 [1,0,0,0,0,0|1,0,1]=3 329 B11R1.91 OC(=O)COc1ccccc1 Amb22274444 [1,0,0,0,0,0|1,0,1]=3 330 B11R1.91 OC(=O)CPc1ccccc1 Amb24487808 [1,0,0,0,0,0|1,0,1]=3 331 B11R1.91 OC(=O)CSc1cc[n]cc1 Amb24053001 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.91 OC(=O)CSc1ccc[n]c1 Amb24692785 [1,0,0,0,0,0|2,0,1]=4 333 B11R1.91 OC(=O)CSc1ccccc1 Amb1038999 [1,0,0,0,0,0|1,0,1]=3 334 B11R1.91 OC(=O)CSc1ccccn1 Amb1130490 [1,0,0,0,0,0|2,0,1]=4 335 B11R1.91 OC(=O)NCc1ccccc1 Amb10603977 [1,0,0,0,0,0|1,0,1]=3 336 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [1,0,0,0,0,0|0,0,2]=3 337 B11R1.91 OC(=O)\C=C/c1[n]ccc[n]1 Amb25830337 [1,0,0,0,0,0|2,0,0]=3 338 B11R1.91 OC(=O)\C=C/c1cc[n]cc1 Amb20622011 [1,0,0,0,0,0|1,0,0]=2 339 B11R1.91 OC(=O)\C=C/c1ccc[n]c1 Amb25378742 [1,0,0,0,0,0|1,0,0]=2 340 B11R1.91 OC(=O)\C=C/c1ccccn1 Amb10071558 [1,0,0,0,0,0|1,0,0]=2 341 B11R1.91 OC(=O)\C=C\C=1C=CCCN1 Amb24617707 [1,0,0,0,0,0|1,0,2]=4 342 B11R1.91 OC(=O)\C=C\N1CC=CC=C1 Amb22015329 [1,0,0,0,0,0|1,0,1]=3 343 B11R1.91 OC(=O)\C=C\c1cc[n][n]c1 Amb18125071 [1,0,0,0,0,0|2,0,0]=3 344 B11R1.91 OC(=O)\C=C\c1cc[n]c[n]1 Amb25337419 [1,0,0,0,0,0|2,0,0]=3 345 B11R1.91 OC(=O)\C=C\c1ccc[n][n]1 Amb18125070 [1,0,0,0,0,0|2,0,0]=3 346 B11R1.91 OC(=O)\C=C\c1ccccc1 Amb22366387 [1,0,0,0,0,0|0,0,0]=1 347 B11R1.91 OC(=O)\C=C\c1ccncc1 Amb1107607 [1,0,0,0,0,0|1,0,0]=2 348 B11R1.91 OC(=O)\C=C\c1cnccn1 Amb10609139 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.91 OC(=O)\C=C\c1ncccn1 Amb17593721 [1,0,0,0,0,0|2,0,0]=3 350 B11R1.91 OC(=O)\C=N/c1cc[n]cc1 Amb24068310 [1,0,0,0,0,0|2,0,0]=3 351 B11R1.91 OC(=O)\C=N\c1ccccc1 Amb25243930 [1,0,0,0,0,0|1,0,0]=2 352 B11R1.91 OS(=O)CNc1ccccc1 Amb25798133 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [1,0,0,0,0,0|0,0,2]=3 354 B11R1.91 [O-]C(=O)C#Cc1ccccc1 Amb22753901 [1,0,0,0,0,0|0,0,3]=4 355 B11R1.91 [O-]C(=O)CCc1ccccc1 Amb22233349 [1,0,0,0,0,0|0,0,3]=4 356 B11R1.91 [O-]C(=O)CNc1ccccc1 Amb21520409 [1,0,0,0,0,0|1,0,2]=4 357 B11R1.91 [O-]C(=O)COc1ccccc1 Amb22167530 [1,0,0,0,0,0|1,0,2]=4 358 B11R1.91 [O-]C(=O)COc1ccccc1 Amb22734447 [1,0,0,0,0,0|1,0,2]=4 359 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb1814995 [1,0,0,0,0,0|0,0,1]=2 360 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb22360910 [1,0,0,0,0,0|0,0,1]=2 361 B11R1.91 [O-][N+](=O)C=Cc1c[n]ccc1 Amb19515469 [1,0,0,0,0,0|2,0,1]=4 362 B11R1.91 [O-][N+](=O)C=Cc1cc[n]cc1 Amb19374504 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.91 [O-][N+](=O)C=Cc1cc[n]cc1 Amb24096963 [1,0,0,0,0,0|2,0,1]=4 364 B11R1.91 [O-][N+](=O)C=Cc1cccc[n]1 Amb19373998 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.91 [O-][N+](=O)\C=C/c1ccncc1 Amb1054083 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.91 [O-][N+](=O)\C=C\c1cc[n]cc1 Amb22551044 [1,0,0,0,0,0|2,0,1]=4 367 B11R1.91 [O-][N+](=O)\C=C\c1cccc[n]1 Amb24106744 [1,0,0,0,0,0|2,0,1]=4 368 B13R1.11 C#CC(=O)NC(=O)c1ccccc1 Amb24096816 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.11 C=C(NC(=O)C=C)c1ccccc1 Amb24470842 [0,1,0,0,0,0|2,0,1]=4 370 B13R1.11 C=CC(=O)NC(=O)c1ccccc1 Amb24073572 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.11 CCC(=O)CC(c1ccccc1)C Amb17594493 [0,1,0,0,0,0|1,0,2]=4 372 B13R1.11 CCC(=O)NC(=N)c1ccccc1 Amb25855572 [0,1,0,0,0,0|2,0,0]=3 373 B13R1.11 CCC(=O)NN(c1ccccc1)C Amb1869422 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.11 CCC(=O)N[C@@H](C)c1ccccc1 Amb23091317 [0,1,0,0,0,0|2,0,1]=4 375 B13R1.11 CCC(=O)OC(=O)c1ccccc1 Amb22500123 [0,1,0,0,0,0|2,0,0]=3 376 B13R1.11 CCC(=S)NC(=O)c1ccccc1 Amb25034339 [0,1,0,0,0,0|2,1,0]=4 377 B13R1.11 CCC(O)\C=C(\Cl)/c1ccccc1 Amb24475820 [0,1,0,0,0,0|1,0,2]=4 378 B13R1.11 CN(CC(=O)NC)c1ccccc1 Amb19971421 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.11 CN(CC(=O)OC)c1cccc[n]1 Amb18186549 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.11 CNC(=N)CC(=O)c1ccccc1 Amb25275499 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.11 CNC(=N)NC(=O)c1ccccc1 Amb25689630 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.11 CNC(=O)CC(=O)c1ccccc1 Amb24361603 [0,1,0,0,0,0|1,0,1]=3 383 B13R1.11 CNC(=O)CC(=S)c1ccccc1 Amb25125271 [0,1,0,0,0,0|1,0,1]=3 384 B13R1.11 CNC(=O)CS(=O)c1ccccc1 Amb25807172 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.11 CNC(=O)C[C@@H](O)c1ccccc1 Amb24490336 [0,1,0,0,0,0|1,0,2]=4 386 B13R1.11 CNC(=O)C[C@H](C)c1ccccc1 Amb25041089 [0,1,0,0,0,0|1,0,2]=4 387 B13R1.11 CNC(=O)C[C@H](N)c1ccccc1 Amb24637726 [0,1,0,0,0,0|1,0,2]=4 388 B13R1.11 CNC(=O)C[C@H](O)c1ccccc1 Amb24444391 [0,1,0,0,0,0|1,0,2]=4 389 B13R1.11 CNC(=O)NC(=N)c1cc[n]cc1 Amb25815755 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.11 CNC(=O)NC(=N)c1ccc[n]c1 Amb25790559 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.11 CNC(=O)NC(=N)c1ccccc1 Amb24441539 [0,1,0,0,0,0|2,0,0]=3 392 B13R1.11 CNC(=O)NC(=O)c1ccc[n]c1 Amb25733452 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.11 CNC(=O)NC(C)c1ccccc1 Amb25324528 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.11 CNC(=O)NN(C)c1ccccc1 Amb25137162 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 Amb25040008 [0,1,0,0,0,0|2,0,1]=4 396 B13R1.11 CNC(=S)NC(=N)c1ccccc1 Amb25778175 [0,1,0,0,0,0|2,1,0]=4 397 B13R1.11 CNC(=S)NC(=O)c1ccccc1 Amb1625173 [0,1,0,0,0,0|2,1,0]=4 398 B13R1.11 CNC(=S)NC(=S)c1ccccc1 Amb25034345 [0,1,0,0,0,0|2,1,0]=4 399 B13R1.11 CNC(=S)\C=C(\O)/c1ccccc1 Amb25270687 [0,1,0,0,0,0|1,1,0]=3 400 B13R1.11 CN\C(\N)=N\C(=S)c1ccccc1 Amb25055291 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.11 COC(=N)CC(=O)c1ccccc1 Amb22433441 [0,1,0,0,0,0|1,0,1]=3 402 B13R1.11 COC(=N)NC(=O)c1ccccc1 Amb25309498 [0,1,0,0,0,0|2,0,0]=3 403 B13R1.11 COC(=O)CC(=O)N1CC=CC=C1 Amb22015167 [0,1,0,0,0,0|1,0,2]=4 404 B13R1.11 COC(=O)CC(=O)c1c[n]c[n]c1 Amb22736773 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.11 COC(=O)CC(=O)c1cccc[n]1 Amb21857821 [0,1,0,0,0,0|1,0,1]=3 406 B13R1.11 COC(=O)CC(=O)c1ccccc1 Amb10553935 [0,1,0,0,0,0|0,0,1]=2 407 B13R1.11 COC(=O)CC(=O)c1cnccn1 Amb13893664 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.11 COC(=O)CC(C)c1ccccc1 Amb17843427 [0,1,0,0,0,0|0,0,2]=3 409 B13R1.11 COC(=O)CC(O)c1ccccc1 Amb22731500 [0,1,0,0,0,0|0,0,2]=3 410 B13R1.11 COC(=O)CC(c1ccccc1)N Amb1221582 [0,1,0,0,0,0|0,0,2]=3 411 B13R1.11 COC(=O)CC(c1ccccc1)N Amb2371447 [0,1,0,0,0,0|0,0,2]=3 412 B13R1.11 COC(=O)C[C@@H](C)c1ccccc1 Amb22363030 [0,1,0,0,0,0|0,0,2]=3 413 B13R1.11 COC(=O)C[C@@H](N)c1ccc[n]c1 Amb24107581 [0,1,0,0,0,0|1,0,2]=4 414 B13R1.11 COC(=O)C[C@@H](N)c1ccccc1 Amb18796125 [0,1,0,0,0,0|0,0,2]=3 415 B13R1.11 COC(=O)C[C@@H](N)c1ccccc1 Amb19373681 [0,1,0,0,0,0|0,0,2]=3 416 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N Amb17617178 [0,1,0,0,0,0|0,0,2]=3 417 B13R1.11 COC(=O)C[C@H](N)c1ccccc1 Amb22268691 [0,1,0,0,0,0|0,0,2]=3 418 B13R1.11 COC(=O)NC(=N)c1ccccc1 Amb25254191 [0,1,0,0,0,0|1,0,0]=2 419 B13R1.11 COC(=O)NC(=O)c1ccccc1 Amb25190157 [0,1,0,0,0,0|1,0,0]=2 420 B13R1.11 COC(=O)NC(=S)c1cccc[n]1 Amb24095858 [0,1,0,0,0,0|2,0,0]=3 421 B13R1.11 COC(=O)NC(C)c1ccc[n]c1 Amb25155951 [0,1,0,0,0,0|2,0,1]=4 422 B13R1.11 COC(=O)NC(c1ccccc1)C Amb10568146 [0,1,0,0,0,0|1,0,1]=3 423 B13R1.11 COC(=O)N[C@@H](C)c1cccc[n]1 Amb25788838 [0,1,0,0,0,0|2,0,1]=4 424 B13R1.11 COC(=O)N[C@@H](C)c1ccccc1 Amb24611219 [0,1,0,0,0,0|1,0,1]=3 425 B13R1.11 COC(=O)N[C@H](C)c1ccc[n]c1 Amb25821184 [0,1,0,0,0,0|2,0,1]=4 426 B13R1.11 COC(=O)N[C@H](C)c1cccc[n]1 Amb24466639 [0,1,0,0,0,0|2,0,1]=4 427 B13R1.11 COC(=O)N[C@H](C)c1ccccc1 Amb24666677 [0,1,0,0,0,0|1,0,1]=3 428 B13R1.11 COC(=O)\C=C(/N)\c1ccc[n]c1 Amb24622421 [0,1,0,0,0,0|1,0,0]=2 429 B13R1.11 COC(=O)\C=C(\N)/c1ccccc1 Amb25258009 [0,1,0,0,0,0|0,0,0]=1 430 B13R1.11 COC(=S)NC(=O)c1ccccc1 Amb10553666 [0,1,0,0,0,0|1,1,0]=3 431 B13R1.11 COC(C)NC(=O)c1ccccc1 Amb24096334 [0,1,0,0,0,0|2,0,1]=4 432 B13R1.11 CSC(=O)NC(=O)c1ccccc1 Amb25743426 [0,1,0,0,0,0|1,1,0]=3 433 B13R1.11 CSC(=O)NC(C)c1ccccc1 Amb25292316 [0,1,0,0,0,0|1,1,1]=4 434 B13R1.11 C\C(=C/C(=O)C#N)\c1ccccc1 Amb25050242 [0,1,0,0,0,0|2,0,0]=3 435 B13R1.11 C\C(=C/C(=O)OC)\c1cccc[n]1 Amb24555692 [0,1,0,0,0,0|1,0,0]=2 436 B13R1.11 C\C(=C/C(=O)c1ccccc1)\NC Amb24494958 [0,1,0,0,0,0|2,0,0]=3 437 B13R1.11 C\C(=C/C(C)NC)\c1ccccc1 Amb23555670 [0,1,0,0,0,0|2,0,1]=4 438 B13R1.11 C\C(=C\C(=O)C#N)\c1ccccc1 Amb24584484 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.11 C\C(=C\C(=O)C=C)\c1ccccc1 Amb25377817 [0,1,0,0,0,0|1,0,1]=3 440 B13R1.11 C\C(=C\C(=O)CC)\c1ccccc1 Amb24553546 [0,1,0,0,0,0|1,0,0]=2 441 B13R1.11 C\C(=C\C(=O)NC)\c1ccccc1 Amb24369890 [0,1,0,0,0,0|1,0,0]=2 442 B13R1.11 C\C(=C\C(=O)NO)\c1cc[n]cc1 Amb25847576 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.11 C\C(=C\C(=O)NO)\c1ccc[n]c1 Amb25130474 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.11 C\C(=C\C(=O)OC)\c1c[n]ccc1 Amb25191857 [0,1,0,0,0,0|1,0,0]=2 445 B13R1.11 C\C(=C\C(=O)c1ccccc1)\C#N Amb25205867 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.11 C\C(=C\C(=O)c1ccccc1)\NC Amb24418806 [0,1,0,0,0,0|2,0,0]=3 447 B13R1.11 C\C(=C\C(=O)c1ccccc1)\OC Amb25034479 [0,1,0,0,0,0|1,0,0]=2 448 B13R1.11 C\C(=C\C(O)CC)\c1ccccc1 Amb24719717 [0,1,0,0,0,0|1,0,2]=4 449 B13R1.11 C\C(\C=C)=C/C(=O)c1ccccc1 Amb24492770 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.11 C\C(\CC(=O)c1ccccc1)=C/C Amb25768382 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.11 C\C(\CC)=C\C(=O)c1ccccc1 Amb24408334 [0,1,0,0,0,0|2,0,0]=3 452 B13R1.11 C\C(\CO)=C/C(=O)c1ccccc1 Amb24495014 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.11 C\C(\CO)=C\C(=C)c1ccccc1 Amb24675292 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.11 C\C(\CO)=C\C(=O)c1ccccc1 Amb24706804 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.11 C\C(\NC(=O)c1ccccc1)=N/C Amb24072852 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.11 ClCC(=O)NC(=N)c1ccccc1 Amb10552973 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.11 N#CC(=O)NC(=O)c1ccccc1 Amb24400616 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.11 NCC(=O)NC(=O)c1ccccc1 Amb25782184 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.11 NNC(=O)CC(=O)c1ccccc1 Amb24416728 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.11 N\C(=C\C(=S)CN)\c1ccccc1 Amb24664310 [0,1,0,0,0,0|2,1,0]=4 461 B13R1.11 N\C(=N\C(=O)CN)\c1ccccc1 Amb25200216 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.11 O=C(CCl)NC(=S)c1ccccc1 Amb22285382 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.11 O=C(NC(=O)CF)c1ccccc1 Amb24743332 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.11 O=C(\C=C(/Cl)\CCl)c1ccccc1 Amb25780102 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.11 OCC(=O)NC(=O)c1ccccc1 Amb1109639 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.11 ONC(=O)CC(=O)c1ccccc1 Amb24492649 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.11 ONC(=O)NC(=O)c1ccccc1 Amb24534607 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.14 C=CC(=O)\C=C\c1ccc(Cl)cc1 Amb20248598 [0,1,0,0,0,0|1,0,1]=3 469 B13R1.14 C=CC(=O)\C=C\c1ccc(N)cc1 Amb25080417 [0,1,0,0,0,0|1,0,1]=3 470 B13R1.14 CCC(=O)CCc1ccc(O)cc1 Amb22547635 [0,1,0,0,0,0|1,0,2]=4 471 B13R1.14 CCC(=O)COc1ccc(N)cc1 Amb22010451 [0,1,0,0,0,0|2,0,1]=4 472 B13R1.14 CCC(=O)CSc1ccc(Cl)cc1 Amb19415865 [0,1,0,0,0,0|2,0,1]=4 473 B13R1.14 CCC(=O)NCc1ccc(F)cc1 Amb17790296 [0,1,0,0,0,0|2,0,1]=4 474 B13R1.14 CCC(=O)NCc1ccc(O)cc1 Amb18648248 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.14 CCC(=O)NCc1ccc(cc1)N Amb17138876 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.14 CCC(=O)NNc1ccc(Cl)cc1 Amb25221246 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.14 CCC(=O)\C=C\c1ccc(F)cc1 Amb24676917 [0,1,0,0,0,0|1,0,0]=2 478 B13R1.14 CCC(=O)\C=C\c1ccc(N)cc1 Amb25809374 [0,1,0,0,0,0|1,0,0]=2 479 B13R1.14 CCC(=O)\C=C\c1ccc(O)cc1 Amb24375201 [0,1,0,0,0,0|1,0,0]=2 480 B13R1.14 CCC(=O)\N=C\c1ccc(O)cc1 Amb24072991 [0,1,0,0,0,0|2,0,0]=3 481 B13R1.14 CCC(O)\C=C\c1ccc(Cl)cc1 Amb24412133 [0,1,0,0,0,0|1,0,2]=4 482 B13R1.14 CC[C@@H](O)\C=C\c1ccc(Cl)cc1 Amb25831968 [0,1,0,0,0,0|1,0,2]=4 483 B13R1.14 CC[C@H](O)\C=C\c1ccc(Cl)cc1 Amb24495774 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.14 CNC(=O)C#Cc1ccc(F)cc1 Amb25211304 [0,1,0,0,0,0|1,0,2]=4 485 B13R1.14 CNC(=O)CCc1ccc(Br)cc1 Amb22900135 [0,1,0,0,0,0|1,0,2]=4 486 B13R1.14 CNC(=O)CCc1ccc(Cl)cc1 Amb23223308 [0,1,0,0,0,0|1,0,2]=4 487 B13R1.14 CNC(=O)CCc1ccc(cc1)C Amb15744093 [0,1,0,0,0,0|1,0,2]=4 488 B13R1.14 CNC(=O)COc1ccc(cc1)C Amb2040393 [0,1,0,0,0,0|2,0,1]=4 489 B13R1.14 CNC(=O)COc1ccc(cc1)I Amb15778875 [0,1,0,0,0,0|2,0,1]=4 490 B13R1.14 CNC(=O)CSc1ccc(O)cc1 Amb18321658 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.14 CNC(=O)NCc1ccc(O)cc1 Amb24491496 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl Amb2132765 [0,1,0,0,0,0|2,0,1]=4 493 B13R1.14 CNC(=O)NCc1ccc(cc1)F Amb2132767 [0,1,0,0,0,0|2,0,1]=4 494 B13R1.14 CNC(=O)NN=C1C=CC(=O)C=C1 Amb25081074 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.14 CNC(=O)NNc1ccc(F)cc1 Amb24677337 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.14 CNC(=O)OCc1ccc(Cl)cc1 Amb22469905 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.14 CNC(=O)OCc1ccc(F)cc1 Amb24653697 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.14 CNC(=O)OCc1ccc(N)cc1 Amb25273466 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.14 CNC(=O)SCc1ccc(Cl)cc1 Amb24490438 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.14 CNC(=O)\C=C\c1ccc(Cl)[n]c1 Amb24676415 [0,1,0,0,0,0|2,0,0]=3 501 B13R1.14 CNC(=O)\C=C\c1ccc(N)cc1 Amb19844255 [0,1,0,0,0,0|1,0,0]=2 502 B13R1.14 CNC(=O)\C=C\c1ccc(cc1)Br Amb11217636 [0,1,0,0,0,0|1,0,0]=2 503 B13R1.14 CNC(C)\C=C\c1ccc(Cl)cc1 Amb23555639 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.14 CNC(C)\C=C\c1ccc(F)cc1 Amb23442933 [0,1,0,0,0,0|2,0,1]=4 505 B13R1.14 COC(=N)CCc1ccc(Br)cc1 Amb18071193 [0,1,0,0,0,0|1,0,2]=4 506 B13R1.14 COC(=N)CCc1ccc(Cl)cc1 Amb18066448 [0,1,0,0,0,0|1,0,2]=4 507 B13R1.14 COC(=N)CCc1ccc(F)cc1 Amb18066004 [0,1,0,0,0,0|1,0,2]=4 508 B13R1.14 COC(=N)COc1ccc(Br)cc1 Amb18071477 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.14 COC(=N)COc1ccc(Cl)cc1 Amb18066509 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.14 COC(=N)COc1ccc(F)cc1 Amb18066094 [0,1,0,0,0,0|2,0,1]=4 511 B13R1.14 COC(=O)/C=C/c1ccc(C)cc1 Amb17844465 [0,1,0,0,0,0|0,0,0]=1 512 B13R1.14 COC(=O)C#CC1=CNC(=O)C=C1 Amb25302573 [0,1,0,0,0,0|1,0,2]=4 513 B13R1.14 COC(=O)C#Cc1ccc(F)cc1 Amb25726510 [0,1,0,0,0,0|0,0,2]=3 514 B13R1.14 COC(=O)C#Cc1ccc(N)cc1 Amb25257395 [0,1,0,0,0,0|0,0,2]=3 515 B13R1.14 COC(=O)C#Cc1ccc(O)cc1 Amb25262685 [0,1,0,0,0,0|0,0,2]=3 516 B13R1.14 COC(=O)C#Cc1ccc(nc1)C Amb10809260 [0,1,0,0,0,0|1,0,2]=4 517 B13R1.14 COC(=O)C=Cc1ccc(N)cc1 Amb24079687 [0,1,0,0,0,0|0,0,0]=1 518 B13R1.14 COC(=O)C=Cc1ccc(cc1)Br Amb13883656 [0,1,0,0,0,0|0,0,0]=1 519 B13R1.14 COC(=O)CCc1ccc(N)[n]c1 Amb24183802 [0,1,0,0,0,0|1,0,2]=4 520 B13R1.14 COC(=O)CCc1ccc(cc1)Br Amb15692693 [0,1,0,0,0,0|0,0,2]=3 521 B13R1.14 COC(=O)CCc1ccc(cc1)C Amb17400662 [0,1,0,0,0,0|0,0,2]=3 522 B13R1.14 COC(=O)CCc1ccc(cc1)Cl Amb1093990 [0,1,0,0,0,0|0,0,2]=3 523 B13R1.14 COC(=O)CCc1ccc(cc1)F Amb17400909 [0,1,0,0,0,0|0,0,2]=3 524 B13R1.14 COC(=O)CNc1ccc(F)c[n]1 Amb19045363 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.14 COC(=O)CNc1ccc(cc1)Br Amb1921801 [0,1,0,0,0,0|1,0,1]=3 526 B13R1.14 COC(=O)CNc1ccc(cc1)O Amb10604010 [0,1,0,0,0,0|1,0,1]=3 527 B13R1.14 COC(=O)CNc1ccc(cc1)O Amb10604138 [0,1,0,0,0,0|1,0,1]=3 528 B13R1.14 COC(=O)CNc1ccc(cn1)N Amb1120232 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.14 COC(=O)COc1ccc(N)cc1 Amb23385314 [0,1,0,0,0,0|1,0,1]=3 530 B13R1.14 COC(=O)COc1ccc(O)c[n]1 Amb24095899 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.14 COC(=O)COc1ccc(cc1)I Amb1929651 [0,1,0,0,0,0|1,0,1]=3 532 B13R1.14 COC(=O)COc1ccc(cc1)O Amb10975204 [0,1,0,0,0,0|1,0,1]=3 533 B13R1.14 COC(=O)CSc1ccc(N)cc1 Amb24066581 [0,1,0,0,0,0|1,0,1]=3 534 B13R1.14 COC(=O)CSc1ccc(O)cc1 Amb18321905 [0,1,0,0,0,0|1,0,1]=3 535 B13R1.14 COC(=O)NCC1=CNC(=O)C=C1 Amb25232375 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.14 COC(=O)NCc1ccc(Br)cc1 Amb25101223 [0,1,0,0,0,0|1,0,1]=3 537 B13R1.14 COC(=O)NCc1ccc(C)cc1 Amb17869525 [0,1,0,0,0,0|1,0,1]=3 538 B13R1.14 COC(=O)NCc1ccc(Cl)c[n]1 Amb25741010 [0,1,0,0,0,0|2,0,1]=4 539 B13R1.14 COC(=O)NCc1ccc(F)cc1 Amb17860018 [0,1,0,0,0,0|1,0,1]=3 540 B13R1.14 COC(=O)NCc1ccc(O)cc1 Amb24423720 [0,1,0,0,0,0|1,0,1]=3 541 B13R1.14 COC(=O)NN=C1C=CC(=O)C=C1 Amb24594193 [0,1,0,0,0,0|2,0,0]=3 542 B13R1.14 COC(=O)NNc1ccc(F)cc1 Amb24370510 [0,1,0,0,0,0|2,0,0]=3 543 B13R1.14 COC(=O)\C=C/c1ccc(Br)cc1 Amb24668018 [0,1,0,0,0,0|0,0,0]=1 544 B13R1.14 COC(=O)\C=C/c1ccc(O)cc1 Amb23469768 [0,1,0,0,0,0|0,0,0]=1 545 B13R1.14 COC(=O)\C=C\N1C=CC(=O)C=C1 Amb25264824 [0,1,0,0,0,0|1,0,0]=2 546 B13R1.14 COC(=O)\C=C\c1ccc(Br)c[n]1 Amb25368788 [0,1,0,0,0,0|1,0,0]=2 547 B13R1.14 COC(=O)\C=C\c1ccc(Br)cc1 Amb19894690 [0,1,0,0,0,0|0,0,0]=1 548 B13R1.14 COC(=O)\C=C\c1ccc(Cl)c[n]1 Amb25047046 [0,1,0,0,0,0|1,0,0]=2 549 B13R1.14 COC(=O)\C=C\c1ccc(I)cc1 Amb25726381 [0,1,0,0,0,0|0,0,0]=1 550 B13R1.14 COC(=O)\C=C\c1ccc(N)[n]c1 Amb24558350 [0,1,0,0,0,0|1,0,0]=2 551 B13R1.14 COC(=O)\C=C\c1ccc(cc1)S Amb17616841 [0,1,0,0,0,0|0,0,0]=1 552 B13R1.14 COC(=O)\C=C\c1ccc(nc1)Cl Amb2196616 [0,1,0,0,0,0|1,0,0]=2 553 B13R1.14 CO\C(\Cl)=N\Nc1ccc(Br)cc1 Amb24536283 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.14 C\C(\C=C\c1ccc(O)cc1)=N/O Amb24722829 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.14 C\C(\C=Cc1ccc(N)cc1)=N\N Amb25299338 [0,1,0,0,0,0|3,0,0]=4 556 B13R1.14 Cc1ccc(C=CC(=O)CC)cc1 Amb21618917 [0,1,0,0,0,0|1,0,0]=2 557 B13R1.14 Cc1ccc(CCC(=N)OC)cc1 Amb18065699 [0,1,0,0,0,0|1,0,2]=4 558 B13R1.14 Cc1ccc(CCC(=O)OC)c[n]1 Amb24066591 [0,1,0,0,0,0|1,0,2]=4 559 B13R1.14 Cc1ccc(CNC(=O)OC)c[n]1 Amb25190127 [0,1,0,0,0,0|2,0,1]=4 560 B13R1.14 Cc1ccc(CNC(=O)SC)cc1 Amb24563855 [0,1,0,0,0,0|1,1,1]=4 561 B13R1.14 Cc1ccc(\C=C\C(=O)C=C)cc1 Amb24736238 [0,1,0,0,0,0|1,0,1]=3 562 B13R1.14 Cc1ccc(\C=C\C(=O)NC)[n]c1 Amb25318380 [0,1,0,0,0,0|2,0,0]=3 563 B13R1.14 Cc1ccc(\C=C\C(=O)NO)cc1 Amb25788863 [0,1,0,0,0,0|2,0,0]=3 564 B13R1.14 Cc1ccc(\C=C\C(=O)OC)[n]c1 Amb25079372 [0,1,0,0,0,0|1,0,0]=2 565 B13R1.14 Cc1ccc(\C=C\C(=O)OC)c[n]1 Amb25135039 [0,1,0,0,0,0|1,0,0]=2 566 B13R1.14 Cc1ccc(\C=C\C(C)NC)cc1 Amb23442831 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.14 Cc1ccc(\C=C\C(N)=NO)cc1 Amb25060741 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.14 Cc1ccc(\C=C\C(O)CC)cc1 Amb24353042 [0,1,0,0,0,0|1,0,2]=4 569 B13R1.14 Cc1ccc(\C=N\C(=O)OC)cc1 Amb24095905 [0,1,0,0,0,0|1,0,0]=2 570 B13R1.14 Cc1ccc(cc1)C#CC(=O)CC Amb24492357 [0,1,0,0,0,0|1,0,2]=4 571 B13R1.14 Cc1ccc(cc1)OCC(=N)OC Amb18065839 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.14 Cc1ccc(cc1)SNC(=O)NC Amb25224416 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.14 N#CC(=O)\C=C\c1ccc(F)cc1 Amb24512686 [0,1,0,0,0,0|2,0,0]=3 574 B13R1.14 NC(\C=C\c1ccc(Cl)cc1)=NO Amb24634755 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.14 NC(\C=C\c1ccc(F)cc1)=NO Amb24602459 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.14 NNC(=O)\C=C\c1ccc(cc1)Cl Amb10571399 [0,1,0,0,0,0|2,0,0]=3 577 B13R1.14 NNC(=O)\C=C\c1ccc(cc1)F Amb16207876 [0,1,0,0,0,0|2,0,0]=3 578 B13R1.14 N\C(\C=Cc1ccc(Cl)cc1)=N\O Amb24692950 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.14 Nc1ccc(\C=C\C(=O)NN)cc1 Amb24346985 [0,1,0,0,0,0|2,0,0]=3 580 B13R1.14 Nc1ccc(\C=C\C(=O)NO)cc1 Amb24452633 [0,1,0,0,0,0|2,0,0]=3 581 B13R1.14 O=C(CCl)\C=C\c1ccc(Cl)cc1 Amb25339267 [0,1,0,0,0,0|2,0,0]=3 582 B13R1.14 O=C(CCl)\C=C\c1ccc(I)cc1 Amb24725940 [0,1,0,0,0,0|2,0,0]=3 583 B13R1.14 O=C(\C=C\c1ccc(Cl)cc1)C=O Amb25212273 [0,1,0,0,0,0|2,0,0]=3 584 B13R1.14 O=C(\C=C\c1ccc(F)cc1)C=O Amb25322759 [0,1,0,0,0,0|2,0,0]=3 585 B13R1.14 ONC(=O)\C=C\c1ccc(Cl)[n]c1 Amb25802435 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.14 O\N=C(/C=C/c1ccc(cc1)O)\C Amb1771667 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.14 Oc1ccc(\C=C\C(=O)NO)cc1 Amb24722969 [0,1,0,0,0,0|2,0,0]=3 588 B13R1.15 CCC(=O)COc1cc(N)ccc1 Amb22010109 [0,1,0,0,0,0|2,0,1]=4 589 B13R1.15 CCC(=O)NCc1cc(N)ccc1 Amb18992892 [0,1,0,0,0,0|2,0,1]=4 590 B13R1.15 CCC(=O)NCc1cc(O)ccc1 Amb18180918 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.15 CCC(=O)NCc1cccc(c1)Br Amb2085744 [0,1,0,0,0,0|2,0,1]=4 592 B13R1.15 CCC(=O)NCc1cccc(c1)Cl Amb2023613 [0,1,0,0,0,0|2,0,1]=4 593 B13R1.15 CCC(=O)NNc1cc(Cl)ccc1 Amb25357056 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.15 CCC(=O)NNc1cc(F)ccc1 Amb24706504 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.15 CCC(=O)\N=C\c1cccc(O)c1 Amb24072990 [0,1,0,0,0,0|2,0,0]=3 596 B13R1.15 CNC(=O)C=Cc1cccc(F)c1 Amb20635247 [0,1,0,0,0,0|1,0,0]=2 597 B13R1.15 CNC(=O)CCc1cccc(N)c1 Amb19959906 [0,1,0,0,0,0|1,0,2]=4 598 B13R1.15 CNC(=O)CCc1cccc(c1)N Amb17622196 [0,1,0,0,0,0|1,0,2]=4 599 B13R1.15 CNC(=O)COc1cccc(c1)C Amb2040394 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.15 CNC(=O)COc1cccc(c1)F Amb2131085 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.15 CNC(=O)CSc1cccc(Br)c1 Amb25135883 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.15 CNC(=O)CSc1cccc(F)c1 Amb25271195 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.15 CNC(=O)CSc1cccc(N)c1 Amb25288027 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.15 CNC(=O)NCc1cccc(Cl)c1 Amb22584233 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.15 CNC(=O)NCc1cccc(N)c1 Amb25369261 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.15 CNC(=O)NCc1cccc(O)c1 Amb25848066 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.15 CNC(=O)NCc1cccc(c1)Br Amb15366176 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.15 CNC(=O)NNc1cc(Br)ccc1 Amb24631786 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.15 CNC(=O)OCc1cccc(Cl)c1 Amb22460565 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.15 CNC(=O)\C=C\c1c[n]cc(F)c1 Amb25307214 [0,1,0,0,0,0|2,0,0]=3 611 B13R1.15 CNC(=O)\C=C\c1c[n]cc(O)c1 Amb25788852 [0,1,0,0,0,0|2,0,0]=3 612 B13R1.15 CNC(=O)\C=C\c1cccc(Cl)c1 Amb24552298 [0,1,0,0,0,0|1,0,0]=2 613 B13R1.15 CNC(=O)\C=C\c1cccc(F)c1 Amb25232444 [0,1,0,0,0,0|1,0,0]=2 614 B13R1.15 CNC(=O)\C=C\c1cccc(c1)Br Amb11217744 [0,1,0,0,0,0|1,0,0]=2 615 B13R1.15 CNC(=O)\C=C\c1cccc(c1)N Amb17138777 [0,1,0,0,0,0|1,0,0]=2 616 B13R1.15 CNC(C)\C=C\c1cccc(Cl)c1 Amb23442785 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.15 CNC(C)\C=C\c1cccc(F)c1 Amb23442890 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.15 COC(=N)CCc1cccc(Br)c1 Amb18071178 [0,1,0,0,0,0|1,0,2]=4 619 B13R1.15 COC(=N)CCc1cccc(Cl)c1 Amb18066444 [0,1,0,0,0,0|1,0,2]=4 620 B13R1.15 COC(=N)CCc1cccc(F)c1 Amb18564164 [0,1,0,0,0,0|1,0,2]=4 621 B13R1.15 COC(=N)COc1cccc(Br)c1 Amb18577246 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.15 COC(=N)COc1cccc(Cl)c1 Amb18066508 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.15 COC(=N)COc1cccc(F)c1 Amb18066093 [0,1,0,0,0,0|2,0,1]=4 624 B13R1.15 COC(=O)/C=C/c1cccc(Cl)c1 Amb17844464 [0,1,0,0,0,0|0,0,0]=1 625 B13R1.15 COC(=O)C#CC1=CC(=O)NC=C1 Amb24447181 [0,1,0,0,0,0|1,0,2]=4 626 B13R1.15 COC(=O)C#Cc1c[n]cc(Br)c1 Amb25039652 [0,1,0,0,0,0|1,0,2]=4 627 B13R1.15 COC(=O)C#Cc1c[n]cc(F)c1 Amb25269359 [0,1,0,0,0,0|1,0,2]=4 628 B13R1.15 COC(=O)C#Cc1cc(F)ccc1 Amb25726243 [0,1,0,0,0,0|0,0,2]=3 629 B13R1.15 COC(=O)C=Cc1cccc(O)c1 Amb24098382 [0,1,0,0,0,0|0,0,0]=1 630 B13R1.15 COC(=O)CCc1cc[n]c(N)c1 Amb24105504 [0,1,0,0,0,0|1,0,2]=4 631 B13R1.15 COC(=O)CCc1cccc(N)c1 Amb18648245 [0,1,0,0,0,0|0,0,2]=3 632 B13R1.15 COC(=O)CCc1cccc(c1)Br Amb17410710 [0,1,0,0,0,0|0,0,2]=3 633 B13R1.15 COC(=O)CCc1cccc(c1)C Amb17400661 [0,1,0,0,0,0|0,0,2]=3 634 B13R1.15 COC(=O)CCc1cccc(c1)Cl Amb17402276 [0,1,0,0,0,0|0,0,2]=3 635 B13R1.15 COC(=O)CNc1c[n]cc(N)c1 Amb25673632 [0,1,0,0,0,0|2,0,1]=4 636 B13R1.15 COC(=O)CNc1cc(Cl)cc[n]1 Amb24751655 [0,1,0,0,0,0|2,0,1]=4 637 B13R1.15 COC(=O)CNc1cc(N)cc[n]1 Amb18184983 [0,1,0,0,0,0|2,0,1]=4 638 B13R1.15 COC(=O)CNc1cc[n]c(Cl)c1 Amb24427620 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.15 COC(=O)CNc1cc[n]c(N)c1 Amb25224860 [0,1,0,0,0,0|2,0,1]=4 640 B13R1.15 COC(=O)CNc1cccc(Cl)[n]1 Amb25187972 [0,1,0,0,0,0|2,0,1]=4 641 B13R1.15 COC(=O)CNc1cccc(F)[n]1 Amb19011125 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.15 COC(=O)COc1cc(Cl)cc[n]1 Amb22301619 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.15 COC(=O)COc1cccc(Cl)[n]1 Amb22486485 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.15 COC(=O)COc1cccc(c1)N Amb1117898 [0,1,0,0,0,0|1,0,1]=3 645 B13R1.15 COC(=O)CSc1cc(Cl)cc[n]1 Amb22304246 [0,1,0,0,0,0|2,0,1]=4 646 B13R1.15 COC(=O)CSc1cccc(Cl)[n]1 Amb22432540 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.15 COC(=O)CSc1cccc(N)c1 Amb19005104 [0,1,0,0,0,0|1,0,1]=3 648 B13R1.15 COC(=O)NCC1=CC=CC(=O)N1 Amb25802747 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.15 COC(=O)NCc1cccc(F)[n]1 Amb25796147 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.15 COC(=O)NCc1cccc(F)c1 Amb24095872 [0,1,0,0,0,0|1,0,1]=3 651 B13R1.15 COC(=O)NCc1cccc(N)c1 Amb18992199 [0,1,0,0,0,0|1,0,1]=3 652 B13R1.15 COC(=O)NCc1cccc(O)c1 Amb18181287 [0,1,0,0,0,0|1,0,1]=3 653 B13R1.15 COC(=O)NCc1cccc(c1)Br Amb2135033 [0,1,0,0,0,0|1,0,1]=3 654 B13R1.15 COC(=O)NCc1cccc(c1)Cl Amb2023614 [0,1,0,0,0,0|1,0,1]=3 655 B13R1.15 COC(=O)NNc1cc(Br)cc[n]1 Amb24448749 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.15 COC(=O)NNc1cc(Br)ccc1 Amb24369850 [0,1,0,0,0,0|2,0,0]=3 657 B13R1.15 COC(=O)NNc1cc(Cl)cc[n]1 Amb24510175 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.15 COC(=O)NNc1cc(Cl)ccc1 Amb24529772 [0,1,0,0,0,0|2,0,0]=3 659 B13R1.15 COC(=O)NNc1cccc(F)[n]1 Amb24510176 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.15 COC(=O)\C=C\c1cccc(Br)[n]1 Amb20248559 [0,1,0,0,0,0|1,0,0]=2 661 B13R1.15 COC(=O)\C=C\c1cccc(Cl)[n]1 Amb24394433 [0,1,0,0,0,0|1,0,0]=2 662 B13R1.15 COC(=O)\C=C\c1cccc(N)c1 Amb18127872 [0,1,0,0,0,0|0,0,0]=1 663 B13R1.15 COC(=O)\C=C\c1cccc(O)c1 Amb18128083 [0,1,0,0,0,0|0,0,0]=1 664 B13R1.15 COC(=O)\C=C\c1cccc(c1)Br Amb2407728 [0,1,0,0,0,0|0,0,0]=1 665 B13R1.15 COC(=O)\C=C\c1cccc(c1)F Amb10839543 [0,1,0,0,0,0|0,0,0]=1 666 B13R1.15 COC(=O)\N=C\c1cccc(F)c1 Amb24095903 [0,1,0,0,0,0|1,0,0]=2 667 B13R1.15 Cc1c[n]cc(c1)C#CC(=O)OC Amb25114393 [0,1,0,0,0,0|1,0,2]=4 668 B13R1.15 Cc1cc(C=CC(=O)NC)ccc1 Amb19384438 [0,1,0,0,0,0|1,0,0]=2 669 B13R1.15 Cc1cc(CCC(=N)OC)ccc1 Amb18065695 [0,1,0,0,0,0|1,0,2]=4 670 B13R1.15 Cc1cc(CNC(=O)CC)ccc1 Amb23088363 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.15 Cc1cc(CNC(=O)NC)ccc1 Amb24677323 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.15 Cc1cc(CNC(=O)OC)ccc1 Amb25133958 [0,1,0,0,0,0|1,0,1]=3 673 B13R1.15 Cc1cc(COC(=O)NC)ccc1 Amb24418396 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.15 Cc1cc(\C=C\C(=N)NO)ccc1 Amb25176438 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.15 Cc1cc(\C=C\C(=O)NC)ccc1 Amb25815418 [0,1,0,0,0,0|1,0,0]=2 676 B13R1.15 Cc1cc(\C=C\C(=O)NO)c[n]c1 Amb25205312 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.15 Cc1cc(\C=C\C(=O)NO)ccc1 Amb24693629 [0,1,0,0,0,0|2,0,0]=3 678 B13R1.15 Cc1cc(\C=C\C(=O)OC)c[n]c1 Amb24350037 [0,1,0,0,0,0|1,0,0]=2 679 B13R1.15 Cc1cc(\C=N\C(=O)OC)ccc1 Amb24095904 [0,1,0,0,0,0|1,0,0]=2 680 B13R1.15 Cc1cc(cc[n]1)C#CC(=O)OC Amb25039572 [0,1,0,0,0,0|1,0,2]=4 681 B13R1.15 Cc1cc(ccc1)NNC(=O)CC Amb24072221 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.15 Cc1cc(ccc1)NNC(=O)NC Amb24741035 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.15 Cc1cc(ccc1)OCC(=N)OC Amb18065838 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.15 Cc1cc(ccc1)SCC(=O)NC Amb24404352 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.15 Cc1cc(ccc1)SCC(=O)OC Amb18318073 [0,1,0,0,0,0|1,0,1]=3 686 B13R1.15 Cc1cc[n]c(CNC(=O)OC)c1 Amb24552288 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.15 Cc1cc[n]c(c1)NCC(=O)OC Amb18184698 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.15 Cc1cccc(CNC(=O)OC)[n]1 Amb24095901 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.15 Cc1cccc(NCC(=O)OC)[n]1 Amb18796228 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.15 Cc1cccc(c1)\C=C\C(C)NC Amb23442963 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.15 N=C(\C=C\c1cc(O)ccc1)NO Amb25176440 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.15 N=C(\C=C\c1cccc(F)c1)NO Amb24662535 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.15 ONC(=O)\C=C\c1cccc(Cl)c1 Amb24473428 [0,1,0,0,0,0|2,0,0]=3 694 B13R1.42 BrCCC(=O)NCc1ccccc1 Amb17084003 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.42 C/C=C/C(=O)NNc1ccccc1 Amb17777823 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.42 C=C=CC(=O)\C=C\c1ccccc1 Amb24724007 [0,1,0,0,0,0|1,0,1]=3 697 B13R1.42 C=COC(=O)CCc1ccccc1 Amb21858909 [0,1,0,0,0,0|0,0,3]=4 698 B13R1.42 C=COC(=O)\C=C\c1ccccc1 Amb10807746 [0,1,0,0,0,0|0,0,1]=2 699 B13R1.42 CC#CC(=O)CCc1ccccc1 Amb17619342 [0,1,0,0,0,0|1,0,2]=4 700 B13R1.42 CC#CC(=O)\C=C\c1ccccc1 Amb24580491 [0,1,0,0,0,0|1,0,0]=2 701 B13R1.42 CCCC(=O)C#Cc1ccccc1 Amb17594320 [0,1,0,0,0,0|1,0,2]=4 702 B13R1.42 CCNC(=O)NCc1ccccc1 Amb2236980 [0,1,0,0,0,0|2,0,1]=4 703 B13R1.42 CCNC(=O)NNc1ccccc1 Amb24710661 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.42 CCNC(=O)OCc1ccccc1 Amb24375743 [0,1,0,0,0,0|2,0,1]=4 705 B13R1.42 CCNC(=O)\C=C\c1ccc[n]c1 Amb25821659 [0,1,0,0,0,0|2,0,0]=3 706 B13R1.42 CCNC(=S)\C=C\c1ccccc1 Amb24606964 [0,1,0,0,0,0|1,1,0]=3 707 B13R1.42 CCOC(=O)C#Cc1cccc[n]1 Amb24494363 [0,1,0,0,0,0|1,0,2]=4 708 B13R1.42 CCOC(=O)CNc1ccc[n]c1 Amb24180824 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.42 CCOC(=O)CNc1cccc[n]1 Amb18181060 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [0,1,0,0,0,0|1,0,1]=3 711 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [0,1,0,0,0,0|1,0,1]=3 712 B13R1.42 CCOC(=O)COc1cccc[n]1 Amb22493952 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.42 CCOC(=O)CSc1cc[n]cc1 Amb24103490 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.42 CCOC(=O)CSc1ccc[n]c1 Amb24103483 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [0,1,0,0,0,0|1,0,1]=3 716 B13R1.42 CCOC(=O)NCc1ccccn1 Amb10553732 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.42 CCOC(=O)NNc1cc[n]cc1 Amb24530140 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.42 CCOC(=O)NNc1cccc[n]1 Amb25681252 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.42 CCOC(=O)NSc1cccc[n]1 Amb24103464 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.42 CCOC(=O)\C=C/c1ccccc1 Amb17613997 [0,1,0,0,0,0|0,0,0]=1 721 B13R1.42 CCOC(=O)\C=C\c1c[n]c[n]c1 Amb23571324 [0,1,0,0,0,0|2,0,0]=3 722 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb15695131 [0,1,0,0,0,0|1,0,0]=2 723 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [0,1,0,0,0,0|1,0,0]=2 724 B13R1.42 CCOC(=S)NCc1ccccc1 Amb25313123 [0,1,0,0,0,0|1,1,1]=4 725 B13R1.42 CCOC(=S)SCc1ccccc1 Amb10560707 [0,1,0,0,0,0|1,1,1]=4 726 B13R1.42 CCO\C(\N)=N\Cc1ccccc1 Amb25138606 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.42 CNCC(=O)C#Cc1ccccc1 Amb24383348 [0,1,0,0,0,0|1,0,2]=4 728 B13R1.42 CNCC(=O)NCc1ccccc1 Amb21959039 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.42 CNCC(=O)NNc1ccccc1 Amb24735727 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.42 CNCC(=O)OCc1ccccc1 Amb18809175 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.42 CNCC(=O)OCc1ccccc1 Amb21929370 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.42 CNCC(=O)OCc1ccccc1 Amb22002169 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.42 COCC(=O)CCc1ccccc1 Amb10563175 [0,1,0,0,0,0|0,0,2]=3 734 B13R1.42 COCC(=O)NCc1cccc[n]1 Amb23247506 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.42 COCC(=O)NNc1c[n]ccc1 Amb24720639 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.42 COCC(=O)NNc1cccc[n]1 Amb24416587 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.42 COCC(=O)NNc1ccccc1 Amb25052871 [0,1,0,0,0,0|2,0,0]=3 738 B13R1.42 CONC(=N)NCc1ccccc1 Amb25102772 [0,1,0,0,0,0|2,0,1]=4 739 B13R1.42 CONC(=O)CCc1ccccc1 Amb10705059 [0,1,0,0,0,0|0,0,2]=3 740 B13R1.42 CONC(=O)NCc1c[n]ccc1 Amb25256484 [0,1,0,0,0,0|2,0,1]=4 741 B13R1.42 CONC(=O)NCc1cccc[n]1 Amb25343526 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.42 CONC(=O)NCc1ccccc1 Amb16969954 [0,1,0,0,0,0|1,0,1]=3 743 B13R1.42 CONC(=O)OCc1ccccc1 Amb16969956 [0,1,0,0,0,0|1,0,1]=3 744 B13R1.42 CONC(=O)\C=C\c1cc[n]cc1 Amb24450719 [0,1,0,0,0,0|1,0,0]=2 745 B13R1.42 CSCC(=O)C#Cc1ccccc1 Amb24440307 [0,1,0,0,0,0|0,1,2]=4 746 B13R1.42 CSCC(=O)NCc1ccccc1 Amb19382179 [0,1,0,0,0,0|1,1,1]=4 747 B13R1.42 CSCC(=O)NNc1ccccc1 Amb25145264 [0,1,0,0,0,0|2,1,0]=4 748 B13R1.42 C\C(\C=C\c1ccccc1)=C/C=O Amb18647671 [0,1,0,0,0,0|2,0,1]=4 749 B13R1.42 C\C(\COC)=N/Nc1ccccc1 Amb25706754 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.42 C\C=C/C(=O)NCc1ccccc1 Amb24432668 [0,1,0,0,0,0|2,0,1]=4 751 B13R1.42 C\C=C/C(=O)\C=C\c1ccccc1 Amb25093685 [0,1,0,0,0,0|1,0,0]=2 752 B13R1.42 C\C=C\C(=O)C=Cc1cccc[n]1 Amb24721749 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.42 C\C=C\C(=O)NCc1ccccc1 Amb1196143 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.42 C\C=C\C(=O)OCc1ccccc1 Amb10572342 [0,1,0,0,0,0|2,0,1]=4 755 B13R1.42 C\C=C\C(=O)\C=C\c1cccc[n]1 Amb24640045 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.42 ClCCC(=O)NCc1ccccc1 Amb1931859 [0,1,0,0,0,0|2,0,1]=4 757 B13R1.42 N#CNC(=O)\C=C\c1ccc[n]c1 Amb25800313 [0,1,0,0,0,0|2,0,1]=4 758 B13R1.42 NCCC(=O)NCc1ccccc1 Amb15740949 [0,1,0,0,0,0|2,0,1]=4 759 B13R1.42 NCCC(=O)OCc1ccccc1 Amb15690782 [0,1,0,0,0,0|2,0,1]=4 760 B13R1.42 NCCC(=O)OCc1ccccc1 Amb20626398 [0,1,0,0,0,0|2,0,1]=4 761 B13R1.42 NCNC(=O)OCc1ccccc1 Amb10558226 [0,1,0,0,0,0|2,0,1]=4 762 B13R1.42 NOCC(=O)NCc1ccccc1 Amb25127330 [0,1,0,0,0,0|2,0,1]=4 763 B13R1.42 NOCC(=O)OCc1ccccc1 Amb25815887 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.42 N\C(\C=C\c1ccccc1)=N/C#N Amb25360833 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.42 N\C(\C=Cc1ccccc1)=N\C#N Amb24745877 [0,1,0,0,0,0|2,0,1]=4 766 B13R1.42 N\C=C/C(=O)C=Cc1ccccc1 Amb25701706 [0,1,0,0,0,0|1,0,1]=3 767 B13R1.42 O=C(C=Cc1ccccc1)N=C=S Amb24062196 [0,1,0,0,0,0|1,0,1]=3 768 B13R1.42 O=C(CCBr)C#Cc1ccccc1 Amb24379645 [0,1,0,0,0,0|1,0,2]=4 769 B13R1.42 O=C(CCBr)OCc1ccccc1 Amb22232000 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.42 O=C(CCCl)C#Cc1ccccc1 Amb24431018 [0,1,0,0,0,0|1,0,2]=4 771 B13R1.42 O=C(CCF)OCc1ccccc1 Amb22497154 [0,1,0,0,0,0|2,0,1]=4 772 B13R1.42 O=C(CCS)OCc1ccccc1 Amb24495479 [0,1,0,0,0,0|2,0,1]=4 773 B13R1.42 O=C(NCCl)OCc1ccccc1 Amb25783886 [0,1,0,0,0,0|2,0,1]=4 774 B13R1.42 O=C(NCc1ccccc1)OCCl Amb24635651 [0,1,0,0,0,0|1,0,1]=3 775 B13R1.42 O=C(NCc1ccccc1)OCF Amb25090863 [0,1,0,0,0,0|1,0,1]=3 776 B13R1.42 O=C(\C=C\c1ccccc1)N=C=O Amb24589372 [0,1,0,0,0,0|1,0,1]=3 777 B13R1.42 O=C(\C=C\c1ccccc1)\C=C\Cl Amb25717009 [0,1,0,0,0,0|1,0,1]=3 778 B13R1.42 O=C\C=C(\Cl)/C=Cc1ccccc1 Amb25326687 [0,1,0,0,0,0|2,0,1]=4 779 B13R1.42 OCCC(=O)NCc1ccccc1 Amb17335299 [0,1,0,0,0,0|2,0,1]=4 780 B13R1.42 OCCC(=O)OCc1ccccc1 Amb17609079 [0,1,0,0,0,0|2,0,1]=4 781 B13R1.42 OCNC(=O)OCc1ccccc1 Amb10066979 [0,1,0,0,0,0|2,0,1]=4 782 B13R1.42 O\C=C\C(=O)C=Cc1ccccc1 Amb25708247 [0,1,0,0,0,0|1,0,1]=3 783 B13R1.42 O\N=C\C(=O)\C=C\c1ccccc1 Amb25065153 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.42 [N-]=[N+]=CC(=O)\C=C\c1ccccc1 Amb20248597 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.42 [N-]=[N+]=NC(=O)\C=C\c1c[n]ccc1 Amb24711546 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.42 [N-]=[N+]=NC(=O)\C=C\c1ccccc1 Amb10574754 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.135 CC=C(Br)C(=O)Nc1ccccc1 Amb22460381 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.135 CCC(=C)C(=O)Nc1ccccc1 Amb25207052 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.135 CCC(=C)C(=S)Nc1ccccc1 Amb25276320 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 Amb25770102 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.135 CCC(=O)C(Cc1ccccc1)C Amb17233202 [0,1,0,0,0,0|1,0,2]=4 792 B13R1.135 CCC(=O)\C(=C/c1ccccc1)\C Amb10565329 [0,1,0,0,0,0|1,0,0]=2 793 B13R1.135 CCC(=O)\C(\F)=C\c1ccccc1 Amb25706957 [0,1,0,0,0,0|1,0,0]=2 794 B13R1.135 CCC(O)\C(\Cl)=C\c1ccccc1 Amb25045703 [0,1,0,0,0,0|1,0,2]=4 795 B13R1.135 CC[C@H](O)\C(\Cl)=C\c1ccccc1 Amb24533619 [0,1,0,0,0,0|1,0,2]=4 796 B13R1.135 CN(OC)C(=O)Cc1ccccc1 Amb20673721 [0,1,0,0,0,0|2,0,1]=4 797 B13R1.135 CN(OC)C(=O)Nc1ccccc1 Amb22369280 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.135 CN(OC)C(=S)Nc1ccccc1 Amb25338046 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 Amb17400596 [0,1,0,0,0,0|1,0,1]=3 800 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 Amb1798389 [0,1,0,0,0,0|2,0,0]=3 801 B13R1.135 CNC(=O)C(Cl)Cc1ccccc1 Amb19083267 [0,1,0,0,0,0|1,0,2]=4 802 B13R1.135 CNC(=O)C(F)Cc1ccccc1 Amb24343289 [0,1,0,0,0,0|1,0,2]=4 803 B13R1.135 CNC(=O)C(N)Cc1ccccc1 Amb21958546 [0,1,0,0,0,0|1,0,2]=4 804 B13R1.135 CNC(=O)[C@@H](C)Cc1ccccc1 Amb25271724 [0,1,0,0,0,0|1,0,2]=4 805 B13R1.135 CNC(=O)[C@@H](Cc1ccccc1)N Amb10608885 [0,1,0,0,0,0|1,0,2]=4 806 B13R1.135 CNC(=O)[C@@H](Cl)Cc1ccccc1 Amb25774522 [0,1,0,0,0,0|1,0,2]=4 807 B13R1.135 CNC(=O)[C@@H](O)Cc1ccccc1 Amb25212856 [0,1,0,0,0,0|1,0,2]=4 808 B13R1.135 CNC(=O)[C@H](C)Nc1ccccc1 Amb25268956 [0,1,0,0,0,0|2,0,1]=4 809 B13R1.135 CNC(=O)[C@H](Cc1ccccc1)N Amb10878601 [0,1,0,0,0,0|1,0,2]=4 810 B13R1.135 CNC(=O)[C@H](Cc1ccccc1)N Amb15740701 [0,1,0,0,0,0|1,0,2]=4 811 B13R1.135 CNC(=O)\C(\S)=C/c1ccccc1 Amb24341194 [0,1,0,0,0,0|1,0,0]=2 812 B13R1.135 CNC(=S)C(=O)Nc1ccccc1 Amb24759766 [0,1,0,0,0,0|2,1,0]=4 813 B13R1.135 COC(=C)C(=O)Nc1ccccc1 Amb25752695 [0,1,0,0,0,0|2,0,0]=3 814 B13R1.135 COC(=O)C(=O)Cc1ccccc1 Amb17138843 [0,1,0,0,0,0|0,0,1]=2 815 B13R1.135 COC(=O)C(=O)Cc1ccccn1 Amb17138896 [0,1,0,0,0,0|1,0,1]=3 816 B13R1.135 COC(=O)C(=O)Cc1cccnc1 Amb17138897 [0,1,0,0,0,0|1,0,1]=3 817 B13R1.135 COC(=O)C(=O)Cc1ccncc1 Amb17138898 [0,1,0,0,0,0|1,0,1]=3 818 B13R1.135 COC(=O)C(=O)Nc1[n]ccc[n]1 Amb25247767 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.135 COC(=O)C(=O)Nc1c[n]c[n]c1 Amb24590051 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.135 COC(=O)C(=O)Nc1c[n]cc[n]1 Amb25121192 [0,1,0,0,0,0|3,0,0]=4 821 B13R1.135 COC(=O)C(=O)Nc1c[n]ccc1 Amb24427786 [0,1,0,0,0,0|2,0,0]=3 822 B13R1.135 COC(=O)C(=O)Nc1ccccc1 Amb24529368 [0,1,0,0,0,0|1,0,0]=2 823 B13R1.135 COC(=O)C(C)Nc1ccc[n]c1 Amb18270387 [0,1,0,0,0,0|2,0,1]=4 824 B13R1.135 COC(=O)C(Cc1ccccc1)Cl Amb17204377 [0,1,0,0,0,0|0,0,2]=3 825 B13R1.135 COC(=O)C(Cc1ccccc1)N Amb1779248 [0,1,0,0,0,0|0,0,2]=3 826 B13R1.135 COC(=O)C(Cc1ccccc1)O Amb17138951 [0,1,0,0,0,0|0,0,2]=3 827 B13R1.135 COC(=O)C(Cc1ccccn1)O Amb17138998 [0,1,0,0,0,0|1,0,2]=4 828 B13R1.135 COC(=O)C(Cc1cccnc1)O Amb17138999 [0,1,0,0,0,0|1,0,2]=4 829 B13R1.135 COC(=O)C(Cc1ccncc1)O Amb17139000 [0,1,0,0,0,0|1,0,2]=4 830 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb22489492 [0,1,0,0,0,0|0,0,2]=3 831 B13R1.135 COC(=O)[C@@H](Cc1cccnc1)N Amb15691971 [0,1,0,0,0,0|1,0,2]=4 832 B13R1.135 COC(=O)[C@@H](N)Cc1ccc[n]c1 Amb22756662 [0,1,0,0,0,0|1,0,2]=4 833 B13R1.135 COC(=O)[C@@H](N)Cc1cccc[n]1 Amb22745828 [0,1,0,0,0,0|1,0,2]=4 834 B13R1.135 COC(=O)[C@H](C)Nc1ccccc1 Amb25732039 [0,1,0,0,0,0|1,0,1]=3 835 B13R1.135 COC(=O)\C(\Br)=C\c1ccccc1 Amb24331619 [0,1,0,0,0,0|0,0,0]=1 836 B13R1.135 COC(=O)\C(\F)=C\c1ccccc1 Amb25706644 [0,1,0,0,0,0|0,0,0]=1 837 B13R1.135 COC(C)C(=O)Nc1ccccc1 Amb24399219 [0,1,0,0,0,0|2,0,1]=4 838 B13R1.135 CON(Cl)C(=O)Nc1ccccc1 Amb24658395 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.135 CO[C@@H](C)C(=O)Nc1ccccc1 Amb24490481 [0,1,0,0,0,0|2,0,1]=4 840 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 Amb24728406 [0,1,0,0,0,0|2,0,1]=4 841 B13R1.135 C\C(=C/C)\C(=O)Cc1ccccc1 Amb24721728 [0,1,0,0,0,0|2,0,1]=4 842 B13R1.135 C\C(=C/C)\C(=O)Nc1ccccc1 Amb25366214 [0,1,0,0,0,0|3,0,0]=4 843 B13R1.135 C\C(=C/c1cc[n]cc1)\C(=O)CC Amb25322907 [0,1,0,0,0,0|2,0,0]=3 844 B13R1.135 C\C(=C/c1ccc[n]c1)\C(=O)CC Amb24633428 [0,1,0,0,0,0|2,0,0]=3 845 B13R1.135 C\C(=C/c1ccccc1)\C(=N)NO Amb25827693 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.135 C\C(=C/c1ccccc1)\C(=O)C#C Amb25190525 [0,1,0,0,0,0|1,0,1]=3 847 B13R1.135 C\C(=C/c1ccccc1)\C(=O)CF Amb25134087 [0,1,0,0,0,0|2,0,0]=3 848 B13R1.135 C\C(=C/c1ccccc1)\C(=S)NC Amb25045335 [0,1,0,0,0,0|1,1,0]=3 849 B13R1.135 C\C(=C/c1ccccc1)\C(O)CC Amb25687882 [0,1,0,0,0,0|1,0,2]=4 850 B13R1.135 C\C(=C\C)\C(=O)Cc1ccccc1 Amb25245373 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.135 C\C(=C\C)\C(=S)Nc1ccccc1 Amb24443780 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.135 C\C(=C\c1ccccc1)\C(=N)NO Amb24540269 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.135 C\C(=C\c1ccccc1)\C(=O)CF Amb25179639 [0,1,0,0,0,0|2,0,0]=3 854 B13R1.135 C\C(=N\C)\C(=O)Nc1ccccc1 Amb25714546 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.135 C\C=C(\Br)/C(=O)Nc1ccccc1 Amb22460386 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.135 C\C=C(\Cl)/C(=O)Nc1ccccc1 Amb24462846 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.135 ClCC(=O)C(=O)Nc1ccccc1 Amb1039065 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.135 NNC(=O)C(=O)Nc1ccccc1 Amb2420650 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.135 NNC(=O)C(=S)Nc1ccccc1 Amb25046199 [0,1,0,0,0,0|3,0,0]=4 860 B13R1.135 O=C(CCl)\C(\F)=C/c1ccccc1 Amb24677586 [0,1,0,0,0,0|2,0,0]=3 861 B13R1.135 O=C(CCl)\C(\F)=C\c1ccccc1 Amb25697164 [0,1,0,0,0,0|2,0,0]=3 862 B13R1.135 O=C(Nc1ccccc1)C(=O)CBr Amb25732064 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.254 O=S(=O)(\C=C\c1ccccc1)O[K] Amb20248385 [0,1,0,0,0,0|2,0,0]=3 864 B13R1.351 C=C(F)C(=O)\C=C\c1ccccc1 Amb24577794 [0,1,0,0,0,0|1,0,1]=3 865 B13R1.351 C=C(\C=C\c1ccccc1)B(O)O Amb25222195 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.351 CC(=C)C(=O)\C=C\c1ccccc1 Amb24357139 [0,1,0,0,0,0|1,0,0]=2 867 B13R1.351 CC(=O)C(/C)=C\Nc1ccccc1 Amb17778142 [0,1,0,0,0,0|3,0,0]=4 868 B13R1.351 CC(=O)C(=O)CNc1ccccc1 Amb25123358 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.351 CC(=O)C(=O)NNc1ccccc1 Amb25128271 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.351 CC(=O)C(=O)OCc1ccccc1 Amb24740169 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.351 CC(=O)C(=O)\C=C\c1ccccc1 Amb24697906 [0,1,0,0,0,0|1,0,0]=2 872 B13R1.351 CC(=O)C(C)\C=C/c1ccccc1 Amb25735093 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.351 CC(=O)C(C)\C=C\c1ccccc1 Amb24655091 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.351 CC(=O)[C@@H](C)\C=C\c1ccccc1 Amb24752492 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.351 CC(=O)[C@H](C)\C=C\c1ccccc1 Amb24602920 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.351 CC(=O)\C(\O)=C\Nc1ccccc1 Amb24488935 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.351 CC(Br)C(=O)OCc1ccccc1 Amb22054568 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.351 CC(C(=O)NCc1ccccc1)C Amb1806323 [0,1,0,0,0,0|2,0,1]=4 879 B13R1.351 CC(C(=O)NCc1ccccc1)Cl Amb1208021 [0,1,0,0,0,0|2,0,1]=4 880 B13R1.351 CC(C(=O)NCc1ccccc1)N Amb10610119 [0,1,0,0,0,0|2,0,1]=4 881 B13R1.351 CC(C(=O)NCc1ccccc1)O Amb10766141 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.351 CC(C(=O)OCc1ccccc1)N Amb17335303 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.351 CC(C)C(=O)NOc1ccccc1 Amb24421311 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.351 CC(C)C(=O)\C=C/c1ccccc1 Amb24730292 [0,1,0,0,0,0|1,0,0]=2 885 B13R1.351 CC(C)C(=O)\C=C\c1cc[n]cc1 Amb25294423 [0,1,0,0,0,0|2,0,0]=3 886 B13R1.351 CC(C)C(=O)\C=C\c1ccccc1 Amb22343050 [0,1,0,0,0,0|1,0,0]=2 887 B13R1.351 CC(C)C(N)C=Cc1ccccc1 Amb23536581 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.351 CC(C)[C@@H](O)\C=C\c1ccccc1 Amb25755349 [0,1,0,0,0,0|1,0,2]=4 889 B13R1.351 CC(C)[C@H](O)\C=C\c1ccccc1 Amb25262853 [0,1,0,0,0,0|1,0,2]=4 890 B13R1.351 CC(Cl)C(=O)C#Cc1ccccc1 Amb25227422 [0,1,0,0,0,0|1,0,2]=4 891 B13R1.351 CC(N)C(=O)NNc1ccccc1 Amb24490065 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.351 CC(N)C(=O)OCc1ccccc1 Amb22233549 [0,1,0,0,0,0|2,0,1]=4 893 B13R1.351 CC(N)C(=O)\C=C\c1ccccc1 Amb25122759 [0,1,0,0,0,0|1,0,0]=2 894 B13R1.351 CC(N)C(O)\C=C\c1ccccc1 Amb18648065 [0,1,0,0,0,0|1,0,2]=4 895 B13R1.351 CC(O)C(=O)O[Hg]c1ccccc1 Amb22345872 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.351 CC(O)C(=O)\C=C\c1ccccc1 Amb24534525 [0,1,0,0,0,0|1,0,0]=2 897 B13R1.351 CC(S)C(=O)OCc1ccccc1 Amb25058345 [0,1,0,0,0,0|2,0,1]=4 898 B13R1.351 CC(\C=C\c1ccccc1)C(C)O Amb25048581 [0,1,0,0,0,0|2,0,1]=4 899 B13R1.351 CN(C(=O)C#Cc1ccccc1)C Amb2106663 [0,1,0,0,0,0|1,0,2]=4 900 B13R1.351 CN(C)C(=O)NNc1ccccc1 Amb24689139 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.351 CN(C)C(=O)\C=C\c1c[n]cc[n]1 Amb25846059 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.351 CN(C)C(=O)\C=C\c1ccc[n]c1 Amb25731321 [0,1,0,0,0,0|2,0,0]=3 903 B13R1.351 CN(C)\C(\S)=C\Sc1ccccc1 Amb24531744 [0,1,0,0,0,0|2,1,0]=4 904 B13R1.351 CN(N)C(=O)OCc1ccccc1 Amb19959276 [0,1,0,0,0,0|2,0,1]=4 905 B13R1.351 CN(O)C(=O)NCc1ccccc1 Amb24595889 [0,1,0,0,0,0|2,0,1]=4 906 B13R1.351 CN(O)C(=O)NNc1ccccc1 Amb25350874 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N Amb2404812 [0,1,0,0,0,0|2,0,1]=4 908 B13R1.351 C[C@@H](Cl)C(=O)NCc1ccccc1 Amb25188021 [0,1,0,0,0,0|2,0,1]=4 909 B13R1.351 C[C@@H](N)C(=O)NCc1ccccc1 Amb18014651 [0,1,0,0,0,0|2,0,1]=4 910 B13R1.351 C[C@@H](N)C(=O)NNc1ccccc1 Amb25029960 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.351 C[C@@H](N)C(=O)\C=C\c1ccccc1 Amb24512077 [0,1,0,0,0,0|1,0,0]=2 912 B13R1.351 C[C@@H](N)[C@@H](O)\C=C\c1ccccc1 Amb25843898 [0,1,0,0,0,0|1,0,2]=4 913 B13R1.351 C[C@@H](O)C(=O)OCc1ccccc1 Amb22801052 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.351 C[C@@H](O)C(=O)\C=C\c1ccccc1 Amb25766283 [0,1,0,0,0,0|1,0,0]=2 915 B13R1.351 C[C@@H](O)[C@@H](O)\C=C\c1ccccc1 Amb24344665 [0,1,0,0,0,0|1,0,2]=4 916 B13R1.351 C[C@@H](\C=C\c1ccccc1)[C@@H](C)O Amb24495050 [0,1,0,0,0,0|2,0,1]=4 917 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N Amb16183910 [0,1,0,0,0,0|2,0,1]=4 918 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N Amb17607755 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.351 C[C@H](N)C(=O)NNc1ccccc1 Amb24710147 [0,1,0,0,0,0|3,0,0]=4 920 B13R1.351 C[C@H](N)C(=O)\C=C\c1ccccc1 Amb25200964 [0,1,0,0,0,0|1,0,0]=2 921 B13R1.351 C[C@H](N)[C@@H](O)\C=C\c1ccccc1 Amb24557840 [0,1,0,0,0,0|1,0,2]=4 922 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 Amb24452587 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 Amb24351965 [0,1,0,0,0,0|3,0,0]=4 924 B13R1.351 C[C@H](O)C(O)\C=C\c1ccccc1 Amb24569962 [0,1,0,0,0,0|1,0,2]=4 925 B13R1.351 C[C@H](O)[C@H](O)\C=C\c1ccccc1 Amb25755348 [0,1,0,0,0,0|1,0,2]=4 926 B13R1.351 C\C(=C/Cc1ccccc1)\C(C)=O Amb24529690 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.351 C\C(=C/Cc1ccccc1)\C(C)N Amb24381566 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.351 NC(=O)C(=O)\C=C\c1ccccc1 Amb25798864 [0,1,0,0,0,0|2,0,0]=3 929 B13R1.351 O=C(C(=C)C)OCc1ccccc1 Amb10807491 [0,1,0,0,0,0|2,0,1]=4 930 B13R1.351 O=C(C(=O)C)C#Cc1ccccc1 Amb10562238 [0,1,0,0,0,0|1,0,2]=4 931 B13R1.351 O=C(C(=O)C)NCc1ccccc1 Amb17400597 [0,1,0,0,0,0|2,0,1]=4 932 B13R1.351 O=C(C(=O)O)\C=C\c1ccccc1 Amb16192457 [0,1,0,0,0,0|2,0,0]=3 933 B13R1.351 O=C(C(=O)O)\C=C\c1ccncc1 Amb17470560 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.351 O=C([C@H]([NH3+])C)OCc1ccccc1 Amb10807781 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.351 OC(=O)C(=O)\C=C\c1ccccn1 Amb17470558 [0,1,0,0,0,0|3,0,0]=4 936 B13R1.351 OC(=O)C(=O)\C=C\c1cccnc1 Amb17470559 [0,1,0,0,0,0|3,0,0]=4 937 B13R1.351 [O-]C(=O)C(=O)C=Cc1ccccc1 Amb22484596 [0,1,0,0,0,0|2,0,0]=3 938 B13R1.417 CCC(CO)=C=Cc1ccccc1 Amb24581777 [0,1,0,0,0,0|1,0,2]=4 939 B13R1.417 CC\C(\C=O)=C/Nc1ccccc1 Amb18127492 [0,1,0,0,0,0|2,0,0]=3 940 B13R1.417 CC\C(\C=O)=C\Nc1ccccc1 Amb24728250 [0,1,0,0,0,0|2,0,0]=3 941 B13R1.417 CC\C(\C=O)=N\Nc1ccccc1 Amb25695960 [0,1,0,0,0,0|3,0,0]=4 942 B13R1.417 COC(=CCc1ccccc1)OC Amb22546894 [0,1,0,0,0,0|0,0,2]=3 943 B13R1.417 CO\C(\C=O)=C\Nc1ccccc1 Amb24564475 [0,1,0,0,0,0|1,0,0]=2 944 B13R1.417 CO\C(\NCc1ccccc1)=N\O Amb25261904 [0,1,0,0,0,0|1,0,2]=4 945 B13R1.417 CO\C(\NN)=N\Nc1ccccc1 Amb25090460 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.417 C\C=C(\C=O)/C=C/c1ccccc1 Amb18647674 [0,1,0,0,0,0|1,0,0]=2 947 B13R1.417 C\N=C(/NCc1ccccc1)\OC Amb25799514 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.417 N#C\C(\C=O)=C/Nc1ccccc1 Amb25269485 [0,1,0,0,0,0|3,0,0]=4 949 B13R1.417 O\C=C(/C=O)\C=N\c1ccccc1 Amb25735692 [0,1,0,0,0,0|3,0,0]=4 950 B13R1.417 O\C=C(\C=O)/C=Nc1ccccc1 Amb25328902 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.417 O\N=C(/C=O)\C=C\c1ccccc1 Amb25678531 [0,1,0,0,0,0|2,0,0]=3 952 B13R1.417 O\N=C(\C=O)/C=Cc1ccccc1 Amb24610088 [0,1,0,0,0,0|2,0,0]=3 953 B13R1.528 CC(CC)\C=C\c1ccccc1O Amb24492567 [0,1,0,0,0,0|2,0,1]=4 954 B13R1.528 CCC(=O)COc1ccccc1N Amb22010341 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.528 CCC(=O)NCc1ccccc1Br Amb2085745 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.528 CCC(=O)NCc1ccccc1C Amb10672025 [0,1,0,0,0,0|2,0,1]=4 957 B13R1.528 CCC(=O)NCc1ccccc1F Amb2020111 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.528 CCC(=O)NCc1ccccc1N Amb18984726 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.528 CCC(=O)NNc1ccccc1Cl Amb24502719 [0,1,0,0,0,0|3,0,0]=4 960 B13R1.528 CCC(=O)NNc1ccccc1F Amb24673307 [0,1,0,0,0,0|3,0,0]=4 961 B13R1.528 CCC(=O)NNc1ccccc1N Amb18128462 [0,1,0,0,0,0|3,0,0]=4 962 B13R1.528 CCC(=O)\C=C\c1ccccc1F Amb24534515 [0,1,0,0,0,0|1,0,0]=2 963 B13R1.528 CCC(=O)\C=C\c1ccccc1O Amb16206172 [0,1,0,0,0,0|1,0,0]=2 964 B13R1.528 CCC(=O)\N=C\c1ccccc1O Amb24072989 [0,1,0,0,0,0|2,0,0]=3 965 B13R1.528 CNC(=O)C#Cc1ccccc1O Amb25725955 [0,1,0,0,0,0|1,0,2]=4 966 B13R1.528 CNC(=O)C=Cc1ccccc1F Amb20635245 [0,1,0,0,0,0|1,0,0]=2 967 B13R1.528 CNC(=O)CCc1ccccc1Br Amb22098933 [0,1,0,0,0,0|1,0,2]=4 968 B13R1.528 CNC(=O)CCc1ccccc1Cl Amb13957943 [0,1,0,0,0,0|1,0,2]=4 969 B13R1.528 CNC(=O)CCc1ccccc1F Amb23163929 [0,1,0,0,0,0|1,0,2]=4 970 B13R1.528 CNC(=O)COc1ccccc1Br Amb1174422 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.528 CNC(=O)COc1ccccc1C Amb2089063 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.528 CNC(=O)COc1ccccc1F Amb2131087 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.528 CNC(=O)COc1ccccc1I Amb24343727 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.528 CNC(=O)COc1ccccc1N Amb1121495 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.528 CNC(=O)COc1ccccc1O Amb1199497 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.528 CNC(=O)CSc1ccccc1Br Amb11254390 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.528 CNC(=O)CSc1ccccc1O Amb18318226 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.528 CNC(=O)NCc1ccccc1Cl Amb2132766 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.528 CNC(=O)NCc1ccccc1F Amb22584226 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.528 CNC(=O)NNc1ccccc1Cl Amb25668564 [0,1,0,0,0,0|3,0,0]=4 981 B13R1.528 CNC(=O)NNc1ccccc1F Amb25761192 [0,1,0,0,0,0|3,0,0]=4 982 B13R1.528 CNC(=O)OCc1ccccc1Br Amb25239936 [0,1,0,0,0,0|2,0,1]=4 983 B13R1.528 CNC(=O)SCc1ccccc1Cl Amb25095777 [0,1,0,0,0,0|2,0,1]=4 984 B13R1.528 CNC(=O)\C=C\c1ccccc1Br Amb11217679 [0,1,0,0,0,0|1,0,0]=2 985 B13R1.528 CNC(C)\C=C\c1ccccc1Br Amb25757215 [0,1,0,0,0,0|2,0,1]=4 986 B13R1.528 CNC(C)\C=C\c1ccccc1Cl Amb23442852 [0,1,0,0,0,0|2,0,1]=4 987 B13R1.528 CNC(C)\C=C\c1ccccc1F Amb23442842 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.528 COC(=N)CCc1ccccc1Br Amb18071214 [0,1,0,0,0,0|1,0,2]=4 989 B13R1.528 COC(=N)CCc1ccccc1Cl Amb18066439 [0,1,0,0,0,0|1,0,2]=4 990 B13R1.528 COC(=N)CCc1ccccc1F Amb18066000 [0,1,0,0,0,0|1,0,2]=4 991 B13R1.528 COC(=N)COc1ccccc1Br Amb18577242 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.528 COC(=N)COc1ccccc1Cl Amb18066507 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.528 COC(=N)COc1ccccc1F Amb18066092 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.528 COC(=O)C#CC1=CNC=CC1=O Amb24473412 [0,1,0,0,0,0|1,0,2]=4 995 B13R1.528 COC(=O)C#Cc1cc[n]cc1Cl Amb25713101 [0,1,0,0,0,0|1,0,2]=4 996 B13R1.528 COC(=O)C=Cc1ccccc1O Amb10605440 [0,1,0,0,0,0|0,0,0]=1 997 B13R1.528 COC(=O)CCc1ccccc1Br Amb10604254 [0,1,0,0,0,0|0,0,2]=3 998 B13R1.528 COC(=O)CCc1ccccc1C Amb17400660 [0,1,0,0,0,0|0,0,2]=3 999 B13R1.528 COC(=O)CCc1ccccc1Cl Amb17402275 [0,1,0,0,0,0|0,0,2]=3 1000 B13R1.528 COC(=O)CCc1ccccc1F Amb17400908 [0,1,0,0,0,0|0,0,2]=3 1001 B13R1.528 COC(=O)CNc1[n]cccc1F Amb18314018 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.528 COC(=O)CNc1cc[n]cc1Br Amb25820167 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.528 COC(=O)CNc1cc[n]cc1Cl Amb24378605 [0,1,0,0,0,0|2,0,1]=4 1004 B13R1.528 COC(=O)CNc1ccc[n]c1N Amb24472644 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.528 COC(=O)CNc1ccccc1Cl Amb24099081 [0,1,0,0,0,0|1,0,1]=3 1006 B13R1.528 COC(=O)CNc1ccccc1O Amb25360835 [0,1,0,0,0,0|1,0,1]=3 1007 B13R1.528 COC(=O)COc1[n]cccc1O Amb24095895 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.528 COC(=O)COc1ccccc1N Amb1119918 [0,1,0,0,0,0|1,0,1]=3 1009 B13R1.528 COC(=O)CSc1[n]cccc1O Amb24095896 [0,1,0,0,0,0|2,0,1]=4 1010 B13R1.528 COC(=O)CSc1ccccc1O Amb19044958 [0,1,0,0,0,0|1,0,1]=3 1011 B13R1.528 COC(=O)CSc1ncccc1Cl Amb11262003 [0,1,0,0,0,0|2,0,1]=4 1012 B13R1.528 COC(=O)NCc1ccc[n]c1F Amb25069490 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.528 COC(=O)NCc1ccccc1Br Amb24643282 [0,1,0,0,0,0|1,0,1]=3 1014 B13R1.528 COC(=O)NCc1ccccc1Cl Amb22469956 [0,1,0,0,0,0|1,0,1]=3 1015 B13R1.528 COC(=O)NCc1ccccc1F Amb2020112 [0,1,0,0,0,0|1,0,1]=3 1016 B13R1.528 COC(=O)NNc1ccccc1Cl Amb24510177 [0,1,0,0,0,0|2,0,0]=3 1017 B13R1.528 COC(=O)NNc1ccccc1F Amb24612816 [0,1,0,0,0,0|2,0,0]=3 1018 B13R1.528 COC(=O)\C=C\c1[n]cccc1N Amb24740155 [0,1,0,0,0,0|1,0,0]=2 1019 B13R1.528 COC(=O)\C=C\c1cc[n]cc1F Amb24623916 [0,1,0,0,0,0|1,0,0]=2 1020 B13R1.528 COC(=O)\C=C\c1ccc[n]c1Br Amb22584147 [0,1,0,0,0,0|1,0,0]=2 1021 B13R1.528 COC(=O)\C=C\c1ccccc1Br Amb22491743 [0,1,0,0,0,0|0,0,0]=1 1022 B13R1.528 COC(=O)\C=C\c1ccccc1Cl Amb10808396 [0,1,0,0,0,0|0,0,0]=1 1023 B13R1.528 COC(=O)\C=C\c1ccccc1F Amb2432760 [0,1,0,0,0,0|0,0,0]=1 1024 B13R1.528 COC(=O)\C=C\c1ccccc1I Amb25275412 [0,1,0,0,0,0|0,0,0]=1 1025 B13R1.528 COC(=O)\C=C\c1ccccc1N Amb18127873 [0,1,0,0,0,0|0,0,0]=1 1026 B13R1.528 COC(=O)\C=C\c1cnccc1Cl Amb13890041 [0,1,0,0,0,0|1,0,0]=2 1027 B13R1.528 C\C(\C=C/c1ccccc1N)=C\C Amb18127104 [0,1,0,0,0,0|2,0,0]=3 1028 B13R1.528 C\C(\C=C\c1ccccc1O)=N/O Amb24707061 [0,1,0,0,0,0|3,0,0]=4 1029 B13R1.528 C\C(\C=Cc1ccccc1N)=C\C Amb25179204 [0,1,0,0,0,0|2,0,0]=3 1030 B13R1.528 C\C(\C=Cc1ccccc1O)=N\O Amb24604843 [0,1,0,0,0,0|3,0,0]=4 1031 B13R1.528 C\C(\CC)=C/Cc1ccccc1N Amb24756421 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.528 Cc1[n]cccc1C#CC(=O)OC Amb24601387 [0,1,0,0,0,0|1,0,2]=4 1033 B13R1.528 Cc1[n]cccc1\C=C\C(=O)OC Amb23586024 [0,1,0,0,0,0|1,0,0]=2 1034 B13R1.528 Cc1cc[n]cc1C#CC(=O)OC Amb24425458 [0,1,0,0,0,0|1,0,2]=4 1035 B13R1.528 Cc1cc[n]cc1\C=C\C(=O)OC Amb24726967 [0,1,0,0,0,0|1,0,0]=2 1036 B13R1.528 Cc1ccc[n]c1C#CC(=O)OC Amb24561521 [0,1,0,0,0,0|1,0,2]=4 1037 B13R1.528 Cc1ccc[n]c1NCC(=O)OC Amb18809312 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.528 Cc1ccc[n]c1\C=C\C(=O)NC Amb24388188 [0,1,0,0,0,0|2,0,0]=3 1039 B13R1.528 Cc1ccccc1CCC(=N)OC Amb18065690 [0,1,0,0,0,0|1,0,2]=4 1040 B13R1.528 Cc1ccccc1OCC(=N)OC Amb18065837 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.528 Cc1ccccc1\C=C/C(=O)CC Amb25318845 [0,1,0,0,0,0|1,0,0]=2 1042 B13R1.528 Cc1ccccc1\C=C\C(=N)NO Amb24656007 [0,1,0,0,0,0|3,0,0]=4 1043 B13R1.528 Cc1ccccc1\C=C\C(=O)C=O Amb24357178 [0,1,0,0,0,0|2,0,0]=3 1044 B13R1.528 Cc1ccccc1\C=C\C(=O)NC Amb25821660 [0,1,0,0,0,0|1,0,0]=2 1045 B13R1.528 Cc1ccccc1\C=C\C(=O)NO Amb24369758 [0,1,0,0,0,0|2,0,0]=3 1046 B13R1.528 Cc1ccccc1\C=C\C(C)NC Amb24568147 [0,1,0,0,0,0|2,0,1]=4 1047 B13R1.528 Nc1ccccc1\C=C\C(=O)NN Amb25180134 [0,1,0,0,0,0|2,0,0]=3 1048 B13R1.528 ONC(=O)\C=C\c1ccccc1Br Amb25295597 [0,1,0,0,0,0|2,0,0]=3 1049 B13R1.528 ONC(=O)\C=C\c1ccccc1F Amb24645076 [0,1,0,0,0,0|2,0,0]=3 1050 B13R1.528 Oc1ccccc1\C=C\C(=O)NO Amb24512527 [0,1,0,0,0,0|2,0,0]=3 1051 B13R2.10 Brc1[n]c([n]o1)-c2ccccc2 Amb22304287 [0,0,0,1,0,0|3,0,0]=4 1052 B13R2.10 Brc1c[s]c(c1)-c2ccccc2 Amb18677699 [0,0,0,1,0,0|3,0,0]=4 1053 B13R2.10 Brc1cc([n][nH]1)-c2ccccc2 Amb21961807 [0,0,0,1,0,0|3,0,0]=4 1054 B13R2.10 Brc1cc([n][s]1)-c2ccccc2 Amb24083372 [0,0,0,1,0,0|2,1,0]=4 1055 B13R2.10 Brc1cc([n]o1)-c2c[n]ccc2 Amb24432843 [0,0,0,1,0,0|3,0,0]=4 1056 B13R2.10 Brc1cc([n]o1)-c2ccccc2 Amb22491894 [0,0,0,1,0,0|2,0,0]=3 1057 B13R2.10 Brc1cc(o[n]1)-c2ccccc2 Amb21856489 [0,0,0,1,0,0|3,0,0]=4 1058 B13R2.10 Brc1occ(c1)c2ccccc2 Amb10600637 [0,0,0,1,0,0|1,0,1]=3 1059 B13R2.10 CC1=NC(CO1)c2ccccc2 Amb24754160 [0,0,0,1,0,0|2,0,1]=4 1060 B13R2.10 Cc1[nH]nc(c1)c2ccccc2 Amb1784583 [0,0,0,1,0,0|3,0,0]=4 1061 B13R2.10 Cc1c[nH]c(c1)-c2ccccc2 Amb17666661 [0,0,0,1,0,0|3,0,0]=4 1062 B13R2.10 Cc1cc([n]o1)-c2c[n]ccc2 Amb22292342 [0,0,0,1,0,0|3,0,0]=4 1063 B13R2.10 Cc1cc([n]o1)-c2cc[n]cc2 Amb24102901 [0,0,0,1,0,0|3,0,0]=4 1064 B13R2.10 Cc1cc([n]o1)-c2cccc[n]2 Amb24101122 [0,0,0,1,0,0|3,0,0]=4 1065 B13R2.10 Cc1cc([s][n]1)-c2ccccc2 Amb24410959 [0,0,0,1,0,0|3,0,0]=4 1066 B13R2.10 Cc1cc(c[nH]1)-c2ccccc2 Amb22549409 [0,0,0,1,0,0|2,0,1]=4 1067 B13R2.10 Cc1coc(c1)c2ccccc2 Amb10572487 [0,0,0,1,0,0|3,0,0]=4 1068 B13R2.10 Cc1noc(c1)c2ccccc2 Amb1893875 [0,0,0,1,0,0|3,0,0]=4 1069 B13R2.10 Cc1occ(n1)c2ccccc2 Amb17400054 [0,0,0,1,0,0|2,0,1]=4 1070 B13R2.10 Cc1onc(c1)c2ccccc2 Amb10553849 [0,0,0,1,0,0|2,0,0]=3 1071 B13R2.10 Clc1[n]c(co1)-c2ccccc2 Amb22370822 [0,0,0,1,0,0|2,0,1]=4 1072 B13R2.10 Clc1c[s]c(c1)-c2ccccc2 Amb25242695 [0,0,0,1,0,0|3,0,0]=4 1073 B13R2.10 Clc1cc([n][nH]1)-c2ccccc2 Amb22753201 [0,0,0,1,0,0|3,0,0]=4 1074 B13R2.10 Clc1cc([n][s]1)-c2ccccc2 Amb24497659 [0,0,0,1,0,0|2,1,0]=4 1075 B13R2.10 Clc1cc([n]o1)-c2c[n]ccc2 Amb24484240 [0,0,0,1,0,0|3,0,0]=4 1076 B13R2.10 Clc1cc([n]o1)-c2cc[n]cc2 Amb25232030 [0,0,0,1,0,0|3,0,0]=4 1077 B13R2.10 Ic1[n]c(co1)-c2ccccc2 Amb25095972 [0,0,0,1,0,0|2,0,1]=4 1078 B13R2.10 N=C1N[C@H](CO1)c2ccccc2 Amb25326051 [0,0,0,1,0,0|2,0,1]=4 1079 B13R2.10 NC1=NC(CO1)c2ccccc2 Amb17619912 [0,0,0,1,0,0|2,0,1]=4 1080 B13R2.10 NC1N=C(CO1)c2ccccc2 Amb24493499 [0,0,0,1,0,0|2,0,1]=4 1081 B13R2.10 Nc1[nH]nc(c1)c2ccccc2 Amb1215353 [0,0,0,1,0,0|3,0,0]=4 1082 B13R2.10 Nc1[n]c(co1)-c2ccccc2 Amb22757221 [0,0,0,1,0,0|2,0,1]=4 1083 B13R2.10 Nc1c[n+]([n]o1)-c2ccccc2 Amb19702187 [0,0,0,1,0,0|3,0,0]=4 1084 B13R2.10 Nc1c[nH]c(c1)-c2ccccc2 Amb18830475 [0,0,0,1,0,0|3,0,0]=4 1085 B13R2.10 Nc1c[s]c(c1)-c2ccccc2 Amb24484302 [0,0,0,1,0,0|3,0,0]=4 1086 B13R2.10 Nc1cc([nH]n1)-c2ccccc2 Amb17771580 [0,0,0,1,0,0|3,0,0]=4 1087 B13R2.10 Nc1cc([n][s]1)-c2ccccc2 Amb18647982 [0,0,0,1,0,0|2,1,0]=4 1088 B13R2.10 Nc1cc([n]o1)-c2cccc[n]2 Amb18948476 [0,0,0,1,0,0|3,0,0]=4 1089 B13R2.10 Nc1n[nH]c(c1)c2ccccc2 Amb2234606 [0,0,0,1,0,0|3,0,0]=4 1090 B13R2.10 Nc1noc(c1)c2ccccc2 Amb10553656 [0,0,0,1,0,0|3,0,0]=4 1091 B13R2.10 Nc1occ(c1)c2ccccc2 Amb10600638 [0,0,0,1,0,0|1,0,1]=3 1092 B13R2.10 Nc1occ(n1)c2ccccc2 Amb17400068 [0,0,0,1,0,0|2,0,1]=4 1093 B13R2.10 Nc1onc(c1)c2ccccc2 Amb1156941 [0,0,0,1,0,0|2,0,0]=3 1094 B13R2.10 Nc1scc(c1)c2ccccc2 Amb10600636 [0,0,0,1,0,0|1,1,1]=4 1095 B13R2.10 O=C1C=C(CO1)c2ccccc2 Amb24633865 [0,0,0,1,0,0|0,0,0]=1 1096 B13R2.10 O=C1C=C(N=N1)c2ccccc2 Amb24721566 [0,0,0,1,0,0|2,0,0]=3 1097 B13R2.10 O=C1C=C(NN1)c2ccccc2 Amb18800327 [0,0,0,1,0,0|2,0,0]=3 1098 B13R2.10 O=C1C=C(SN1)c2ccccc2 Amb24085196 [0,0,0,1,0,0|2,0,0]=3 1099 B13R2.10 O=C1C=C(SS1)c2ccccc2 Amb19517525 [0,0,0,1,0,0|1,1,0]=3 1100 B13R2.10 O=C1C=[N+]([N-]O1)c2ccccc2 Amb21934019 [0,0,0,1,0,0|2,0,0]=3 1101 B13R2.10 O=C1CC(=CN1)c2ccccc2 Amb24066196 [0,0,0,1,0,0|1,0,2]=4 1102 B13R2.10 O=C1CC(=CO1)c2ccccc2 Amb25697090 [0,0,0,1,0,0|0,0,2]=3 1103 B13R2.10 O=C1CC(=NO1)c2c[n]ccc2 Amb22496083 [0,0,0,1,0,0|2,0,1]=4 1104 B13R2.10 O=C1CC=C(N1)c2ccccc2 Amb25130705 [0,0,0,1,0,0|2,0,1]=4 1105 B13R2.10 O=C1CC=C(O1)c2ccccc2 Amb10570673 [0,0,0,1,0,0|2,0,1]=4 1106 B13R2.10 O=C1CCC(=C1)c2c[n]c[n]c2 Amb25041945 [0,0,0,1,0,0|3,0,0]=4 1107 B13R2.10 O=C1CCC(=C1)c2ccccc2 Amb10669546 [0,0,0,1,0,0|1,0,0]=2 1108 B13R2.10 O=C1CCC(=C1)c2ccccn2 Amb17138484 [0,0,0,1,0,0|2,0,0]=3 1109 B13R2.10 O=C1CCC(=C1)c2cccnc2 Amb17138485 [0,0,0,1,0,0|2,0,0]=3 1110 B13R2.10 O=C1CCC(=C1)c2ccncc2 Amb17138486 [0,0,0,1,0,0|2,0,0]=3 1111 B13R2.10 O=C1CCC(C1)c2ccccc2 Amb17138497 [0,0,0,1,0,0|1,0,2]=4 1112 B13R2.10 O=C1CCC(N1)c2ccccc2 Amb17470413 [0,0,0,1,0,0|2,0,1]=4 1113 B13R2.10 O=C1CN(CN1)c2ccccc2 Amb24079614 [0,0,0,1,0,0|2,0,1]=4 1114 B13R2.10 O=C1CN(NO1)c2ccccc2 Amb25736264 [0,0,0,1,0,0|2,0,1]=4 1115 B13R2.10 O=C1CN=C(N1)c2ccccc2 Amb17842816 [0,0,0,1,0,0|3,0,0]=4 1116 B13R2.10 O=C1COC(=C1)c2ccccc2 Amb24090252 [0,0,0,1,0,0|2,0,0]=3 1117 B13R2.10 O=C1CSC(=N1)c2ccccc2 Amb16231550 [0,0,0,1,0,0|3,0,0]=4 1118 B13R2.10 O=C1CSC(=N1)c2ccccc2 Amb2384341 [0,0,0,1,0,0|3,0,0]=4 1119 B13R2.10 O=C1C[C@@H](CC1)c2ccccc2 Amb24323281 [0,0,0,1,0,0|1,0,2]=4 1120 B13R2.10 O=C1C[C@@H](CN1)c2ccccc2 Amb23401452 [0,0,0,1,0,0|1,0,2]=4 1121 B13R2.10 O=C1C[C@H](CC1)c2ccccc2 Amb24484347 [0,0,0,1,0,0|1,0,2]=4 1122 B13R2.10 O=C1C[C@H](CN1)c2ccccc2 Amb25277165 [0,0,0,1,0,0|1,0,2]=4 1123 B13R2.10 O=C1N=C(N=N1)c2ccccc2 Amb25212448 [0,0,0,1,0,0|3,0,0]=4 1124 B13R2.10 O=C1N=C(SS1)c2ccccc2 Amb24467190 [0,0,0,1,0,0|2,1,0]=4 1125 B13R2.10 O=C1NC(=CN1)c2ccccc2 Amb19516863 [0,0,0,1,0,0|2,0,1]=4 1126 B13R2.10 O=C1NC(=CS1)c2ccccc2 Amb18808971 [0,0,0,1,0,0|1,1,1]=4 1127 B13R2.10 O=C1NC(=NO1)c2c[n]ccc2 Amb19514618 [0,0,0,1,0,0|3,0,0]=4 1128 B13R2.10 O=C1NC(=NO1)c2cc[n]cc2 Amb19514619 [0,0,0,1,0,0|3,0,0]=4 1129 B13R2.10 O=C1NC(=NO1)c2cccc[n]2 Amb19372943 [0,0,0,1,0,0|3,0,0]=4 1130 B13R2.10 O=C1NC(=NO1)c2ccccc2 Amb18788105 [0,0,0,1,0,0|2,0,0]=3 1131 B13R2.10 O=C1NC(=NS1)c2ccccc2 Amb22432316 [0,0,0,1,0,0|2,1,0]=4 1132 B13R2.10 O=C1NC(CS1)c2ccccc2 Amb23439132 [0,0,0,1,0,0|1,1,1]=4 1133 B13R2.10 O=C1NC=C(S1)c2ccccc2 Amb18808972 [0,0,0,1,0,0|2,0,1]=4 1134 B13R2.10 O=C1NCC(C1)c2ccccc2 Amb1772919 [0,0,0,1,0,0|1,0,2]=4 1135 B13R2.10 O=C1NCC(N1)c2ccccc2 Amb22056050 [0,0,0,1,0,0|2,0,1]=4 1136 B13R2.10 O=C1NCC(O1)c2ccccc2 Amb16232576 [0,0,0,1,0,0|2,0,1]=4 1137 B13R2.10 O=C1NC[C@@H](N1)c2ccccc2 Amb24568910 [0,0,0,1,0,0|2,0,1]=4 1138 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 Amb22338660 [0,0,0,1,0,0|2,0,1]=4 1139 B13R2.10 O=C1NC[C@H](N1)c2ccccc2 Amb25054081 [0,0,0,1,0,0|2,0,1]=4 1140 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 Amb24574681 [0,0,0,1,0,0|2,0,1]=4 1141 B13R2.10 O=C1NC[C@H](S1)c2ccccc2 Amb25246623 [0,0,0,1,0,0|2,0,1]=4 1142 B13R2.10 O=C1NN=C(N1)c2ccccc2 Amb19671065 [0,0,0,1,0,0|3,0,0]=4 1143 B13R2.10 O=C1NN=C(O1)c2ccccc2 Amb19654483 [0,0,0,1,0,0|3,0,0]=4 1144 B13R2.10 O=C1NNC(=N1)c2ccccc2 Amb22520685 [0,0,0,1,0,0|3,0,0]=4 1145 B13R2.10 O=C1N[C@@H](CO1)c2cc[n]cc2 Amb24731875 [0,0,0,1,0,0|2,0,1]=4 1146 B13R2.10 O=C1N[C@@H](CS1)c2ccccc2 Amb24653499 [0,0,0,1,0,0|1,1,1]=4 1147 B13R2.10 O=C1N[C@H](CO1)c2ccc[n]c2 Amb25159332 [0,0,0,1,0,0|2,0,1]=4 1148 B13R2.10 O=C1OC(=NS1)c2ccccc2 Amb21871013 [0,0,0,1,0,0|2,1,0]=4 1149 B13R2.10 O=C1ON=C(C1)c2ccncc2 Amb2405318 [0,0,0,1,0,0|2,0,1]=4 1150 B13R2.10 O=C1SC(=CS1)c2ccccc2 Amb21993101 [0,0,0,1,0,0|1,1,1]=4 1151 B13R2.10 O=C1[CH-][N+](=NO1)c2ccccc2 Amb20659866 [0,0,0,1,0,0|2,0,1]=4 1152 B13R2.10 O=c1[nH]nc([nH]1)c2ccccc2 Amb16227497 [0,0,0,1,0,0|3,0,0]=4 1153 B13R2.10 O=c1cc([nH]o1)-c2ccccc2 Amb24062192 [0,0,0,1,0,0|1,0,0]=2 1154 B13R2.10 Oc1[nH]nc(c1)c2ccccc2 Amb1786641 [0,0,0,1,0,0|2,0,1]=4 1155 B13R2.10 Oc1[n]c([n]o1)-c2ccccc2 Amb19651317 [0,0,0,1,0,0|2,0,1]=4 1156 B13R2.10 Oc1[n]c(co1)-c2ccccc2 Amb22370821 [0,0,0,1,0,0|1,0,2]=4 1157 B13R2.10 Oc1c[nH]c(c1)c2ccccc2 Amb17615723 [0,0,0,1,0,0|2,0,1]=4 1158 B13R2.10 Oc1cc([n]o1)-c2c[n]ccc2 Amb20672881 [0,0,0,1,0,0|2,0,1]=4 1159 B13R2.10 Oc1cc([n]o1)-c2cc[n]cc2 Amb20672935 [0,0,0,1,0,0|2,0,1]=4 1160 B13R2.10 Oc1cc([n]o1)-c2cccc[n]2 Amb25124398 [0,0,0,1,0,0|2,0,1]=4 1161 B13R2.10 Oc1cc(c[s]1)-c2ccccc2 Amb20617906 [0,0,0,1,0,0|0,1,2]=4 1162 B13R2.10 Oc1noc(c1)c2ccccc2 Amb10553149 [0,0,0,1,0,0|2,0,1]=4 1163 B13R2.10 S=C1C=C(SS1)c2ccccc2 Amb19705248 [0,0,0,1,0,0|1,2,0]=4 1164 B13R2.10 S=C1NC(=NO1)c2ccccc2 Amb22343187 [0,0,0,1,0,0|2,1,0]=4 1165 B13R2.10 Sc1[n]c([n]o1)-c2ccccc2 Amb18790934 [0,0,0,1,0,0|2,1,0]=4 1166 B13R2.10 Sc1[n]c(co1)-c2ccccc2 Amb19943960 [0,0,0,1,0,0|1,1,1]=4 1167 B13R2.10 [O-][n+]1onc(c1)c2ccccc2 Amb2369020 [0,0,0,1,0,0|2,0,1]=4 1168 B13R2.10 [S-]c1c[n+]([n]o1)-c2ccccc2 Amb24737328 [0,0,0,1,0,0|2,1,0]=4 1169 B13R2.17 CC1OC1\C=C\c2ccccc2 Amb25328517 [0,0,0,1,0,0|1,0,2]=4 1170 B13R2.27 O=C/1C=C\C1=C/c2ccccc2 Amb24544610 [0,0,0,1,0,0|1,0,1]=3 1171 B13R2.27 O=C/1C=C\C1=C\c2ccccc2 Amb25142591 [0,0,0,1,0,0|1,0,1]=3 1172 B13R2.27 O=C/1CC\C1=C/c2ccccc2 Amb25366584 [0,0,0,1,0,0|1,0,0]=2 1173 B13R2.27 O=C/1CS\C1=C/c2ccccc2 Amb24450518 [0,0,0,1,0,0|2,0,0]=3 1174 B13R2.27 O=C/1CS\C1=C\c2ccccc2 Amb17594489 [0,0,0,1,0,0|2,0,0]=3 1175 B13R2.27 O=C/1NC\C1=C/c2ccccc2 Amb24547036 [0,0,0,1,0,0|1,0,0]=2 1176 B13R2.27 O=C1CCN1Cc2ccccc2 Amb25117461 [0,0,0,1,0,0|2,0,1]=4 1177 B13R2.27 O=C1CC[C@@H]1Cc2ccccc2 Amb25792997 [0,0,0,1,0,0|1,0,2]=4 1178 B13R2.27 O=C1NCC1Sc2ccccc2 Amb25084609 [0,0,0,1,0,0|2,0,1]=4 1179 B13R2.27 O=C1NC[C@@H]1Cc2ccccc2 Amb24711591 [0,0,0,1,0,0|1,0,2]=4 1180 B13R2.27 O=C1NC[C@H]1Sc2ccccc2 Amb24497005 [0,0,0,1,0,0|2,0,1]=4 1181 B13R2.32 Brc1c(I)ccc2ccccc21 Amb24535463 [0,0,0,1,0,0|3,0,0]=4 1182 B13R2.32 Brc1ccc2c(c1F)cccc2 Amb16186009 [0,0,0,1,0,0|3,0,0]=4 1183 B13R2.32 Brc1ccc2c(c1N)cccc2 Amb17596049 [0,0,0,1,0,0|3,0,0]=4 1184 B13R2.32 Brc1ccc2ccccc2c1Br Amb24060608 [0,0,0,1,0,0|3,0,0]=4 1185 B13R2.32 Brc1ccc2ccccc2c1I Amb24594397 [0,0,0,1,0,0|3,0,0]=4 1186 B13R2.32 CC1=CNc2ccccc2N1C Amb24536695 [0,0,0,1,0,0|3,0,0]=4 1187 B13R2.32 CC1C(=O)CNc2ccccc21 Amb25276622 [0,0,0,1,0,0|2,0,1]=4 1188 B13R2.32 CC1C(=O)CSc2ccccc21 Amb24620041 [0,0,0,1,0,0|2,0,1]=4 1189 B13R2.32 CN1C(=O)C=Cc2c[n]ccc12 Amb22491898 [0,0,0,1,0,0|2,0,0]=3 1190 B13R2.32 CN1C(=O)C=Cc2cc[n]cc12 Amb25707761 [0,0,0,1,0,0|2,0,0]=3 1191 B13R2.32 CN1C(=O)C=Cc2ccccc12 Amb19116112 [0,0,0,1,0,0|1,0,0]=2 1192 B13R2.32 CN1C(=O)N=Cc2ccccc12 Amb24079785 [0,0,0,1,0,0|2,0,0]=3 1193 B13R2.32 CN1C(=O)OCc2ccccc12 Amb25220213 [0,0,0,1,0,0|2,0,1]=4 1194 B13R2.32 CN1C(=S)C=Cc2ccccc12 Amb19651670 [0,0,0,1,0,0|1,1,0]=3 1195 B13R2.32 C[n+]1c(C)ccc2c1cccc2 Amb2540178 [0,0,0,1,0,0|2,0,0]=3 1196 B13R2.32 C[n+]1c(I)ccc2ccccc12 Amb22485663 [0,0,0,1,0,0|2,0,0]=3 1197 B13R2.32 C[n+]1c(N)ccc2c1cccc2 Amb10553827 [0,0,0,1,0,0|2,0,0]=3 1198 B13R2.32 Cc1c(Br)c[n]c2ccccc21 Amb22263020 [0,0,0,1,0,0|3,0,0]=4 1199 B13R2.32 Cc1c(Br)ccc2ccc[n]c21 Amb19895195 [0,0,0,1,0,0|3,0,0]=4 1200 B13R2.32 Cc1c(Br)ccc2ccccc21 Amb21929204 [0,0,0,1,0,0|2,0,0]=3 1201 B13R2.32 Cc1c(Cl)[n]cc2ccccc21 Amb22496769 [0,0,0,1,0,0|3,0,0]=4 1202 B13R2.32 Cc1c(Cl)c[n]c2ccccc21 Amb24078686 [0,0,0,1,0,0|3,0,0]=4 1203 B13R2.32 Cc1c(Cl)ccc2[n]cccc21 Amb24568895 [0,0,0,1,0,0|3,0,0]=4 1204 B13R2.32 Cc1c(Cl)ccc2c[n]ccc21 Amb24374947 [0,0,0,1,0,0|3,0,0]=4 1205 B13R2.32 Cc1c(F)ccc2[n]cccc21 Amb23448755 [0,0,0,1,0,0|3,0,0]=4 1206 B13R2.32 Cc1c(F)ccc2ccc[n]c21 Amb24454469 [0,0,0,1,0,0|3,0,0]=4 1207 B13R2.32 Cc1c(N)[n]cc2ccccc21 Amb18645062 [0,0,0,1,0,0|3,0,0]=4 1208 B13R2.32 Cc1c(N)ccc2[n]cccc21 Amb24557734 [0,0,0,1,0,0|3,0,0]=4 1209 B13R2.32 Cc1c(N)ccc2cc[n]cc21 Amb22753791 [0,0,0,1,0,0|3,0,0]=4 1210 B13R2.32 Cc1c(O)c[n]c2ccccc21 Amb18645166 [0,0,0,1,0,0|2,0,1]=4 1211 B13R2.32 Cc1c(O)ccc2[n]cccc21 Amb18645164 [0,0,0,1,0,0|2,0,1]=4 1212 B13R2.32 Cc1c(O)ccc2ccc[n]c21 Amb18645163 [0,0,0,1,0,0|2,0,1]=4 1213 B13R2.32 Cc1c2ccccc2c[n]c1C Amb23560126 [0,0,0,1,0,0|3,0,0]=4 1214 B13R2.32 Cc1c2ccccc2cc[n+]1[O-] Amb25266052 [0,0,0,1,0,0|2,0,1]=4 1215 B13R2.32 Cc1ccc2c(c1N)cccc2 Amb2429201 [0,0,0,1,0,0|3,0,0]=4 1216 B13R2.32 Cc1ccc2ccc[n]c2c1C Amb19101295 [0,0,0,1,0,0|3,0,0]=4 1217 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb17843414 [0,0,0,1,0,0|2,0,0]=3 1218 B13R2.32 Cc1ccc2ccccc2c1S Amb25340394 [0,0,0,1,0,0|3,0,0]=4 1219 B13R2.32 Clc1c(Br)ccc2ccccc21 Amb24444356 [0,0,0,1,0,0|3,0,0]=4 1220 B13R2.32 Clc1ccc2c(c1C)nccc2 Amb10607058 [0,0,0,1,0,0|3,0,0]=4 1221 B13R2.32 Clc1ccc2c(c1N)cccc2 Amb17594523 [0,0,0,1,0,0|3,0,0]=4 1222 B13R2.32 Clc1ccc2c(c1O)cccc2 Amb17594568 [0,0,0,1,0,0|3,0,0]=4 1223 B13R2.32 Clc1ccc2ccccc2c1Br Amb25082370 [0,0,0,1,0,0|3,0,0]=4 1224 B13R2.32 Clc1ccc2ccccc2c1Cl Amb25189491 [0,0,0,1,0,0|3,0,0]=4 1225 B13R2.32 Clc1ccc2ccccc2c1I Amb25309391 [0,0,0,1,0,0|3,0,0]=4 1226 B13R2.32 Fc1c(Cl)ccc2ccccc21 Amb25696316 [0,0,0,1,0,0|3,0,0]=4 1227 B13R2.32 Fc1c(I)ccc2ccccc21 Amb22547558 [0,0,0,1,0,0|3,0,0]=4 1228 B13R2.32 Fc1ccc2c(c1N)cccc2 Amb17594017 [0,0,0,1,0,0|3,0,0]=4 1229 B13R2.32 Fc1ccc2ccccc2c1Br Amb25068848 [0,0,0,1,0,0|3,0,0]=4 1230 B13R2.32 Fc1ccc2ccccc2c1Cl Amb25232022 [0,0,0,1,0,0|3,0,0]=4 1231 B13R2.32 Fc1ccc2ccccc2c1F Amb24607338 [0,0,0,1,0,0|3,0,0]=4 1232 B13R2.32 NN1C(=N)C=Cc2ccccc12 Amb19894845 [0,0,0,1,0,0|3,0,0]=4 1233 B13R2.32 Nc1c(I)ccc2ccccc21 Amb22491989 [0,0,0,1,0,0|3,0,0]=4 1234 B13R2.32 Nc1ccc2c(c1C)cccc2 Amb17593938 [0,0,0,1,0,0|2,0,0]=3 1235 B13R2.32 Nc1ccc2c(c1C)nccc2 Amb1116383 [0,0,0,1,0,0|3,0,0]=4 1236 B13R2.32 Nc1ccc2c(c1N)cccc2 Amb16191900 [0,0,0,1,0,0|3,0,0]=4 1237 B13R2.32 Nc1ccc2c(c1O)cccc2 Amb17593980 [0,0,0,1,0,0|3,0,0]=4 1238 B13R2.32 Nc1ccc2ccccc2c1Br Amb19374680 [0,0,0,1,0,0|3,0,0]=4 1239 B13R2.32 Nc1ccc2ccccc2c1F Amb22497545 [0,0,0,1,0,0|3,0,0]=4 1240 B13R2.32 Nc1ccc2ccccc2c1O Amb19930160 [0,0,0,1,0,0|3,0,0]=4 1241 B13R2.32 Nc1ccc2ccccc2c1S Amb18647914 [0,0,0,1,0,0|3,0,0]=4 1242 B13R2.32 Nn1c(=O)ccc2c1cccc2 Amb10553630 [0,0,0,1,0,0|2,0,0]=3 1243 B13R2.32 O=C1C=Cc2cc[n]cc2C1=O Amb25066405 [0,0,0,1,0,0|3,0,0]=4 1244 B13R2.32 O=C1C=Nc2ccccc2C1=O Amb24722889 [0,0,0,1,0,0|3,0,0]=4 1245 B13R2.32 O=C1CCc2c(N1C)cccc2 Amb17322846 [0,0,0,1,0,0|1,0,2]=4 1246 B13R2.32 O=C1COc2c(N1C)cccc2 Amb1351378 [0,0,0,1,0,0|2,0,1]=4 1247 B13R2.32 O=C1NC=C2C=CC=CC2=C1F Amb25269874 [0,0,0,1,0,0|3,0,0]=4 1248 B13R2.32 O=C1NC=C2C=CC=CC2=C1I Amb25238851 [0,0,0,1,0,0|3,0,0]=4 1249 B13R2.32 O=C1c2ccc[n]c2C=CC1=O Amb24081305 [0,0,0,1,0,0|3,0,0]=4 1250 B13R2.32 OC=1C(=O)NC=C2C=CC=CC21 Amb24632621 [0,0,0,1,0,0|3,0,0]=4 1251 B13R2.32 ON1C(=O)C=Cc2ccccc12 Amb22723451 [0,0,0,1,0,0|2,0,0]=3 1252 B13R2.32 Oc1c(F)ccc2ccccc21 Amb18645623 [0,0,0,1,0,0|3,0,0]=4 1253 B13R2.32 Oc1c(S)ccc2ccccc21 Amb18647979 [0,0,0,1,0,0|2,1,0]=4 1254 B13R2.32 Oc1ccc2c(c1Cl)cccc2 Amb17594574 [0,0,0,1,0,0|2,0,1]=4 1255 B13R2.32 Oc1ccc2c(c1N)cccc2 Amb1088955 [0,0,0,1,0,0|2,0,1]=4 1256 B13R2.32 Oc1ccc2ccccc2c1F Amb18645624 [0,0,0,1,0,0|2,0,1]=4 1257 B13R2.32 Oc1ccc2ccccc2c1O Amb18054059 [0,0,0,1,0,0|2,0,1]=4 1258 B13R2.32 Oc1ccc2ccccc2c1S Amb20093303 [0,0,0,1,0,0|2,0,1]=4 1259 B13R2.32 Sc1ccc2c(c1N)cccc2 Amb17594453 [0,0,0,1,0,0|2,1,0]=4 1260 B13R2.32 [NH3+]c1c(O)ccc2ccccc21 Amb22489532 [0,0,0,1,0,0|2,0,1]=4 1261 B13R2.32 [O-][n+]1c(N)ccc2c1cccc2 Amb10565848 [0,0,0,1,0,0|3,0,0]=4 1262 B13R2.33 O=C1C=Cc2[n]cccc2CN1 Amb24545909 [0,0,0,1,0,0|2,0,0]=3 1263 B13R2.33 O=C1C=Cc2c(CC1)cccc2 Amb17593958 [0,0,0,1,0,0|1,0,0]=2 1264 B13R2.33 O=C1C=Cc2ccccc2C=C1 Amb21952910 [0,0,0,1,0,0|1,0,1]=3 1265 B13R2.33 O=C1C=Nc2ccccc2C=N1 Amb22489908 [0,0,0,1,0,0|2,0,1]=4 1266 B13R2.33 O=C1CCc2cc[n]cc2C=C1 Amb24424904 [0,0,0,1,0,0|2,0,0]=3 1267 B13R2.33 O=C1CCc2ccccc2CO1 Amb24525708 [0,0,0,1,0,0|0,0,2]=3 1268 B13R2.33 O=C1CNc2c(CN1)cccc2 Amb17620443 [0,0,0,1,0,0|2,0,1]=4 1269 B13R2.33 O=C1COc2c(CN1)cccc2 Amb2137257 [0,0,0,1,0,0|2,0,1]=4 1270 B13R2.33 O=C1CSc2ccccc2CC1 Amb25044274 [0,0,0,1,0,0|2,0,1]=4 1271 B13R2.33 O=C1NCc2ccccc2CO1 Amb24100846 [0,0,0,1,0,0|1,0,1]=3 1272 B13R2.33 OC1CCc2ccccc2C=C1 Amb25071698 [0,0,0,1,0,0|1,0,2]=4 1273 B13R2.57 BrCc1ccc2ccccc2[n]1 Amb21857522 [0,0,0,1,0,0|3,0,0]=4 1274 B13R2.57 Br[Mg]c1cc2ccccc2cc1 Amb22000543 [0,0,0,1,0,0|3,0,0]=4 1275 B13R2.57 Br[Mg]c1ccc2ccccc2[n]1 Amb22897388 [0,0,0,1,0,0|3,0,0]=4 1276 B13R2.57 Br[Zn]c1cc2ccccc2cc1 Amb22897855 [0,0,0,1,0,0|3,0,0]=4 1277 B13R2.57 Br[Zn]c1ccc2ccccc2[n]1 Amb22897906 [0,0,0,1,0,0|3,0,0]=4 1278 B13R2.57 C#Cc1ccc2c(c1)cccc2 Amb10071054 [0,0,0,1,0,0|2,0,1]=4 1279 B13R2.57 C#Cc1ccc2ccccc2[n]1 Amb22490538 [0,0,0,1,0,0|2,0,1]=4 1280 B13R2.57 C=Cc1ccc2c(n1)cccc2 Amb10071967 [0,0,0,1,0,0|2,0,1]=4 1281 B13R2.57 CCc1c[n]c2ccccc2[n]1 Amb24084106 [0,0,0,1,0,0|3,0,0]=4 1282 B13R2.57 CCc1cc2[n]cccc2cc1 Amb24436476 [0,0,0,1,0,0|3,0,0]=4 1283 B13R2.57 CCc1cc2c[n]ccc2cc1 Amb19100642 [0,0,0,1,0,0|3,0,0]=4 1284 B13R2.57 CCc1cc2cc[n]cc2cc1 Amb24091669 [0,0,0,1,0,0|3,0,0]=4 1285 B13R2.57 CCc1cc2ccc[n]c2cc1 Amb18355325 [0,0,0,1,0,0|3,0,0]=4 1286 B13R2.57 CCc1cc2ccccc2c[n]1 Amb20621248 [0,0,0,1,0,0|3,0,0]=4 1287 B13R2.57 CCc1ccc2c[n]ccc2[n]1 Amb24648881 [0,0,0,1,0,0|3,0,0]=4 1288 B13R2.57 CCc1ccc2ccccc2[n]1 Amb20667571 [0,0,0,1,0,0|2,0,0]=3 1289 B13R2.57 CCc1ccc2ccccc2[n]1 Amb22282219 [0,0,0,1,0,0|2,0,0]=3 1290 B13R2.57 CCc1cnc2c(c1)cccc2 Amb15691863 [0,0,0,1,0,0|3,0,0]=4 1291 B13R2.57 CNC1Cc2ccccc2C=C1 Amb18645220 [0,0,0,1,0,0|2,0,1]=4 1292 B13R2.57 CNc1[n]c2ccccc2c[n]1 Amb25363322 [0,0,0,1,0,0|3,0,0]=4 1293 B13R2.57 CNc1c[n]c2ccccc2[n]1 Amb18947325 [0,0,0,1,0,0|3,0,0]=4 1294 B13R2.57 CNc1cc2c[n]ccc2cc1 Amb19109187 [0,0,0,1,0,0|3,0,0]=4 1295 B13R2.57 CNc1cc2cc[n]cc2cc1 Amb19109233 [0,0,0,1,0,0|3,0,0]=4 1296 B13R2.57 CNc1cc2ccc[n]c2cc1 Amb18949283 [0,0,0,1,0,0|3,0,0]=4 1297 B13R2.57 CNc1cc2ccccc2[n]c1 Amb18948972 [0,0,0,1,0,0|3,0,0]=4 1298 B13R2.57 CNc1cc2ccccc2c[n]1 Amb24062107 [0,0,0,1,0,0|3,0,0]=4 1299 B13R2.57 CNc1ccc2[n]cccc2[n]1 Amb22751196 [0,0,0,1,0,0|3,0,0]=4 1300 B13R2.57 COC=1CSc2ccccc2N1 Amb24116116 [0,0,0,1,0,0|2,0,1]=4 1301 B13R2.57 COC=1Cc2ccc[n]c2CC1 Amb24365189 [0,0,0,1,0,0|2,0,1]=4 1302 B13R2.57 CO[n+]1ccc2c(c1)cccc2 Amb10553833 [0,0,0,1,0,0|2,0,0]=3 1303 B13R2.57 CO[n+]1ccc2c(c1)cccc2 Amb10553841 [0,0,0,1,0,0|2,0,0]=3 1304 B13R2.57 COc1[n]c2ccccc2c[n]1 Amb22745160 [0,0,0,1,0,0|2,0,0]=3 1305 B13R2.57 COc1c[n]c2[n]cccc2[n]1 Amb24532758 [0,0,0,1,0,0|3,0,0]=4 1306 B13R2.57 COc1c[n]c2c[n]ccc2[n]1 Amb24603917 [0,0,0,1,0,0|3,0,0]=4 1307 B13R2.57 COc1c[n]c2ccc[n]c2c1 Amb21959422 [0,0,0,1,0,0|3,0,0]=4 1308 B13R2.57 COc1c[n]c2ccccc2[n]1 Amb24105763 [0,0,0,1,0,0|2,0,0]=3 1309 B13R2.57 COc1cc2C=CCNc2cc1 Amb18062202 [0,0,0,1,0,0|2,0,1]=4 1310 B13R2.57 COc1cc2C=CCOc2cc1 Amb23441461 [0,0,0,1,0,0|2,0,1]=4 1311 B13R2.57 COc1cc2NCC=Cc2cc1 Amb18559644 [0,0,0,1,0,0|2,0,1]=4 1312 B13R2.57 COc1cc2OCC=Cc2cc1 Amb25148934 [0,0,0,1,0,0|2,0,1]=4 1313 B13R2.57 COc1cc2OSC=Cc2cc1 Amb25213087 [0,0,0,1,0,0|3,0,0]=4 1314 B13R2.57 COc1cc2[n]c[n]cc2cc1 Amb22745180 [0,0,0,1,0,0|3,0,0]=4 1315 B13R2.57 COc1cc2[n]cccc2cc1 Amb24183299 [0,0,0,1,0,0|2,0,0]=3 1316 B13R2.57 COc1cc2c[n]c[n]c2cc1 Amb22002321 [0,0,0,1,0,0|3,0,0]=4 1317 B13R2.57 COc1cc2cc[n]cc2cc1 Amb22236031 [0,0,0,1,0,0|2,0,0]=3 1318 B13R2.57 COc1cc2ccc[n]c2c[n]1 Amb25208459 [0,0,0,1,0,0|3,0,0]=4 1319 B13R2.57 COc1cc2ccccc2[n]c1 Amb19957896 [0,0,0,1,0,0|2,0,0]=3 1320 B13R2.57 COc1ccc2[n]cc[n]c2[n]1 Amb22497790 [0,0,0,1,0,0|3,0,0]=4 1321 B13R2.57 COc1ccc2c(c1)C=CCC2 Amb2383773 [0,0,0,1,0,0|1,0,2]=4 1322 B13R2.57 COc1ccc2c(c1)cccn2 Amb1156981 [0,0,0,1,0,0|2,0,0]=3 1323 B13R2.57 COc1ccc2c(c1)ccnc2 Amb10071944 [0,0,0,1,0,0|2,0,0]=3 1324 B13R2.57 COc1ccc2c(c1)cncc2 Amb10610318 [0,0,0,1,0,0|2,0,0]=3 1325 B13R2.57 COc1ccc2c(c1)nccc2 Amb17617089 [0,0,0,1,0,0|2,0,0]=3 1326 B13R2.57 COc1ccc2c(c1)nccn2 Amb10068725 [0,0,0,1,0,0|3,0,0]=4 1327 B13R2.57 COc1ccc2cc[n]cc2[n]1 Amb25791641 [0,0,0,1,0,0|2,0,0]=3 1328 B13R2.57 COc1ccc2ccccc2[n]1 Amb20171196 [0,0,0,1,0,0|1,0,0]=2 1329 B13R2.57 CSC1=COc2ccccc2N1 Amb24615656 [0,0,0,1,0,0|2,1,0]=4 1330 B13R2.57 CSc1[n]c2ccccc2c[n]1 Amb24626756 [0,0,0,1,0,0|2,1,0]=4 1331 B13R2.57 CSc1c[n]c2ccccc2[n]1 Amb24097104 [0,0,0,1,0,0|2,1,0]=4 1332 B13R2.57 ClCc1ccc2ccccc2[nH+]1 Amb24113853 [0,0,0,1,0,0|3,0,0]=4 1333 B13R2.57 FCc1ccc2ccccc2[n]1 Amb25060619 [0,0,0,1,0,0|3,0,0]=4 1334 B13R2.57 ICc1cc2ccccc2cc1 Amb24060884 [0,0,0,1,0,0|3,0,0]=4 1335 B13R2.57 N#Cc1ccc2c(n1)cccc2 Amb1063463 [0,0,0,1,0,0|3,0,0]=4 1336 B13R2.57 N#[N+]c1ccc2ccccc2c1 Amb17674243 [0,0,0,1,0,0|3,0,0]=4 1337 B13R2.57 NCc1cc2ccccc2cc1 Amb19957972 [0,0,0,1,0,0|3,0,0]=4 1338 B13R2.57 NCc1ccc2c(c1)cccc2 Amb1120053 [0,0,0,1,0,0|3,0,0]=4 1339 B13R2.57 NCc1ccc2c(n1)cccc2 Amb1139476 [0,0,0,1,0,0|3,0,0]=4 1340 B13R2.57 NCc1ccc2c(n1)cccc2 Amb15695438 [0,0,0,1,0,0|3,0,0]=4 1341 B13R2.57 NNc1ccc2c(c1)cccc2 Amb1772358 [0,0,0,1,0,0|3,0,0]=4 1342 B13R2.57 NNc1ccc2c(n1)cccc2 Amb1105542 [0,0,0,1,0,0|3,0,0]=4 1343 B13R2.57 NOc1cc2ccc[n]c2cc1 Amb24397483 [0,0,0,1,0,0|3,0,0]=4 1344 B13R2.57 NOc1cc2ccccc2cc1 Amb18645172 [0,0,0,1,0,0|2,0,0]=3 1345 B13R2.57 OCc1ccc2c(c1)cccc2 Amb2389960 [0,0,0,1,0,0|3,0,0]=4 1346 B13R2.57 OCc1ccc2c(n1)cccc2 Amb1154605 [0,0,0,1,0,0|3,0,0]=4 1347 B13R2.57 OCc1ccc2ccccc2[n]1 Amb21857708 [0,0,0,1,0,0|3,0,0]=4 1348 B13R2.57 ONc1cc2ccccc2cc1 Amb24567681 [0,0,0,1,0,0|3,0,0]=4 1349 B13R2.57 ONc1ccc2ccccc2[n]1 Amb25705559 [0,0,0,1,0,0|3,0,0]=4 1350 B13R2.57 SCc1cc2ccccc2cc1 Amb21943705 [0,0,0,1,0,0|3,0,0]=4 1351 B13R2.57 [C-]#[N+]c1cc2ccccc2cc1 Amb22348022 [0,0,0,1,0,0|2,0,1]=4 1352 B13R2.373 CC1C(CC1=O)c2ccccc2 Amb20668234 [0,0,0,1,0,0|1,0,2]=4 1353 B13R2.373 CC1C(NC1=O)c2ccccc2 Amb19149073 [0,0,0,1,0,0|2,0,1]=4 1354 B13R2.373 C[C@@H]1[C@H](NC1=O)c2ccccc2 Amb25206665 [0,0,0,1,0,0|2,0,1]=4 1355 B13R2.373 C[C@H]1[C@@H](CC1=O)c2ccccc2 Amb25263638 [0,0,0,1,0,0|1,0,2]=4 1356 B13R2.373 NC=1C(=O)OC1c2ccccc2 Amb25360814 [0,0,0,1,0,0|3,0,0]=4 1357 B13R2.373 O=C1C=C(c2ccccc2)C1=O Amb22172059 [0,0,0,1,0,0|2,0,0]=3 1358 B13R2.373 O=C1CC(=C1Cl)c2ccccc2 Amb25706972 [0,0,0,1,0,0|2,0,1]=4 1359 B13R2.373 OC=1C(=O)CC1c2ccccc2 Amb25092955 [0,0,0,1,0,0|2,0,1]=4 1360 B13R2.3203 NC1(CC1)\C=C\c2ccccc2 Amb25068416 [0,0,0,1,0,0|2,0,1]=4 1361 B13R2.15272 CNC(=O)[n]1oc2ccccc12 Amb24398815 [0,0,0,1,0,0|3,0,0]=4 1362 B13R2.15272 CNC(=S)C1=Cc2ccccc21 Amb25764558 [0,0,0,1,0,0|1,1,0]=3 1363 B13R2.15272 COC(=N)C1Cc2ccccc21 Amb24707799 [0,0,0,1,0,0|1,0,2]=4 1364 B13R2.15272 COC(=O)C1=Cc2ccccc21 Amb20248945 [0,0,0,1,0,0|0,0,0]=1 1365 B11R1.25 C#CC(=O)\C=C\c1ccc[s]1 Amb25713572 [0,0,0,0,1,0|2,0,1]=4 1366 B11R1.25 CCC(=O)/C=C/c1cccs1 Amb17864533 [0,0,0,0,1,0|2,0,0]=3 1367 B11R1.25 CCC(=O)\C=C\c1ccc[nH]1 Amb22339563 [0,0,0,0,1,0|2,0,0]=3 1368 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [0,0,0,0,1,0|2,0,0]=3 1369 B11R1.25 CNC(=O)\C=C\c1c[n]c[nH]1 Amb24394568 [0,0,0,0,1,0|3,0,0]=4 1370 B11R1.25 CNC(=O)\C=C\c1c[n]c[s]1 Amb25262176 [0,0,0,0,1,0|3,0,0]=4 1371 B11R1.25 CNC(=O)\C=C\c1c[s]c[n]1 Amb25838289 [0,0,0,0,1,0|3,0,0]=4 1372 B11R1.25 CNC(=S)\C=C\c1ccco1 Amb24399981 [0,0,0,0,1,0|2,1,0]=4 1373 B11R1.25 COC(=O)C#Cc1cocc1 Amb22723411 [0,0,0,0,1,0|1,0,2]=4 1374 B11R1.25 COC(=O)CC[n]1cccc1 Amb18799453 [0,0,0,0,1,0|1,0,2]=4 1375 B11R1.25 COC(=O)CCc1ccc[nH]1 Amb17617751 [0,0,0,0,1,0|1,0,2]=4 1376 B11R1.25 COC(=O)CN[n]1cccc1 Amb25379969 [0,0,0,0,1,0|2,0,1]=4 1377 B11R1.25 COC(=O)CSc1c[s]cc1 Amb24092455 [0,0,0,0,1,0|2,0,1]=4 1378 B11R1.25 COC(=O)NCc1cccs1 Amb17793916 [0,0,0,0,1,0|2,0,1]=4 1379 B11R1.25 COC(=O)NCc1cscc1 Amb10945325 [0,0,0,0,1,0|2,0,1]=4 1380 B11R1.25 COC(=O)\C=C/c1cccs1 Amb10069647 [0,0,0,0,1,0|1,0,0]=2 1381 B11R1.25 COC(=O)\C=C\C=1CCCC1 Amb24392864 [0,0,0,0,1,0|0,0,3]=4 1382 B11R1.25 COC(=O)\C=C\N1CC=CC1 Amb24680357 [0,0,0,0,1,0|1,0,2]=4 1383 B11R1.25 COC(=O)\C=C\c1[n]cc[s]1 Amb25758463 [0,0,0,0,1,0|2,0,0]=3 1384 B11R1.25 COC(=O)\C=C\c1c[nH][n]c1 Amb25089344 [0,0,0,0,1,0|2,0,0]=3 1385 B11R1.25 COC(=O)\C=C\c1c[nH]cn1 Amb10569688 [0,0,0,0,1,0|2,0,0]=3 1386 B11R1.25 COC(=O)\C=C\c1c[n][n][nH]1 Amb24759346 [0,0,0,0,1,0|3,0,0]=4 1387 B11R1.25 COC(=O)\C=C\c1c[n]co1 Amb24566780 [0,0,0,0,1,0|2,0,0]=3 1388 B11R1.25 COC(=O)\C=C\c1c[s]c[n]1 Amb24409150 [0,0,0,0,1,0|2,0,0]=3 1389 B11R1.25 COC(=O)\C=C\c1cc[nH]c1 Amb21962731 [0,0,0,0,1,0|1,0,0]=2 1390 B11R1.25 COC(=O)\C=C\c1ccc[nH]1 Amb22728583 [0,0,0,0,1,0|1,0,0]=2 1391 B11R1.25 COC(=O)\C=C\c1cnc[nH]1 Amb17617955 [0,0,0,0,1,0|2,0,0]=3 1392 B11R1.25 COC(=O)\C=C\c1coc[n]1 Amb25208802 [0,0,0,0,1,0|2,0,0]=3 1393 B11R1.25 COC(=O)\C=C\c1cocc1 Amb24418960 [0,0,0,0,1,0|1,0,0]=2 1394 B11R1.25 N#CC(=O)\C=C\c1ccc[s]1 Amb24372667 [0,0,0,0,1,0|3,0,0]=4 1395 B11R1.25 N#CC(=O)\C=C\c1ccoc1 Amb24584402 [0,0,0,0,1,0|3,0,0]=4 1396 B11R1.25 NNC(=O)\C=C\c1cc[s]c1 Amb24686157 [0,0,0,0,1,0|3,0,0]=4 1397 B11R1.25 NNC(=O)\C=C\c1ccco1 Amb10571401 [0,0,0,0,1,0|3,0,0]=4 1398 B11R1.25 NNC(=O)\C=C\c1cccs1 Amb10571402 [0,0,0,0,1,0|3,0,0]=4 1399 B11R1.25 O=C(CBr)\C=C\c1ccco1 Amb24557173 [0,0,0,0,1,0|3,0,0]=4 1400 B11R1.25 O=C(CCl)\C=C\c1cc[nH]c1 Amb24673920 [0,0,0,0,1,0|3,0,0]=4 1401 B11R1.25 O=C(CCl)\C=C\c1ccc[nH]1 Amb24485870 [0,0,0,0,1,0|3,0,0]=4 1402 B11R1.25 O=C(CF)\C=C\c1ccco1 Amb25205838 [0,0,0,0,1,0|3,0,0]=4 1403 B11R1.25 O=C(\C=C\c1ccc[s]1)C=O Amb25833416 [0,0,0,0,1,0|3,0,0]=4 1404 B11R1.25 OCC(=O)\C=C\c1ccco1 Amb25728855 [0,0,0,0,1,0|3,0,0]=4 1405 B11R1.25 ONC(=O)\C=C\c1cc[s]c1 Amb24370832 [0,0,0,0,1,0|3,0,0]=4 1406 B11R1.25 ONC(=O)\C=C\c1ccc[nH]1 Amb25222105 [0,0,0,0,1,0|3,0,0]=4 1407 B11R1.40 BrCC(=O)Cc1ccccc1 Amb17569850 [0,0,0,0,1,0|2,0,1]=4 1408 B11R1.40 BrCC(=O)Nc1ccccc1 Amb2222053 [0,0,0,0,1,0|3,0,0]=4 1409 B11R1.40 C#CC(=O)Cc1ccccc1 Amb22059749 [0,0,0,0,1,0|1,0,2]=4 1410 B11R1.40 C#CC(=O)Nc1ccccc1 Amb2444736 [0,0,0,0,1,0|2,0,1]=4 1411 B11R1.40 C=CC(=O)Cc1ccccc1 Amb25353450 [0,0,0,0,1,0|1,0,2]=4 1412 B11R1.40 C=CC(=O)Oc1ccccc1 Amb17934129 [0,0,0,0,1,0|2,0,1]=4 1413 B11R1.40 CC(=NC)Oc1ccccc1 Amb24066830 [0,0,0,0,1,0|3,0,0]=4 1414 B11R1.40 CCC(=O)Cc1cccnc1 Amb17477730 [0,0,0,0,1,0|2,0,1]=4 1415 B11R1.40 CCC(=O)Cc1ccncc1 Amb17477729 [0,0,0,0,1,0|2,0,1]=4 1416 B11R1.40 CCC(=O)Oc1ccc[n]c1 Amb24674574 [0,0,0,0,1,0|3,0,0]=4 1417 B11R1.40 CCC(=O)Oc1cccc[n]1 Amb25264358 [0,0,0,0,1,0|3,0,0]=4 1418 B11R1.40 CCC(=S)Nc1ccccc1 Amb24757738 [0,0,0,0,1,0|2,1,0]=4 1419 B11R1.40 CCP(=O)Oc1ccccc1 Amb21963209 [0,0,0,0,1,0|3,0,0]=4 1420 B11R1.40 CCS(=O)Cc1ccccc1 Amb24485048 [0,0,0,0,1,0|2,0,1]=4 1421 B11R1.40 CCS(=O)Nc1ccccc1 Amb24752666 [0,0,0,0,1,0|3,0,0]=4 1422 B11R1.40 CC\C(\I)=C/c1ccccc1 Amb22641702 [0,0,0,0,1,0|2,0,0]=3 1423 B11R1.40 CC\C(\N)=N\c1ccccc1 Amb24453266 [0,0,0,0,1,0|3,0,0]=4 1424 B11R1.40 CNC(=O)C[n+]1ccccc1 Amb10553027 [0,0,0,0,1,0|2,0,1]=4 1425 B11R1.40 CNC(=O)Cc1cccnc1 Amb16231203 [0,0,0,0,1,0|2,0,1]=4 1426 B11R1.40 CNC(=O)Cc1ccncc1 Amb16231202 [0,0,0,0,1,0|2,0,1]=4 1427 B11R1.40 CNC(=O)Nc1ccccn1 Amb2132780 [0,0,0,0,1,0|3,0,0]=4 1428 B11R1.40 CNC(=O)Nc1cccnc1 Amb2132752 [0,0,0,0,1,0|3,0,0]=4 1429 B11R1.40 CNC(=O)Oc1ccc[n]c1 Amb24362237 [0,0,0,0,1,0|3,0,0]=4 1430 B11R1.40 CNC(=S)Cc1ccccc1 Amb24559245 [0,0,0,0,1,0|1,1,1]=4 1431 B11R1.40 CN\C(\Cl)=N\c1ccccc1 Amb24670343 [0,0,0,0,1,0|3,0,0]=4 1432 B11R1.40 COC(=N)Cc1cc[n]cc1 Amb18182737 [0,0,0,0,1,0|2,0,1]=4 1433 B11R1.40 COC(=N)Cc1ccc[n]c1 Amb18799364 [0,0,0,0,1,0|2,0,1]=4 1434 B11R1.40 COC(=N)Cc1cccc[n]1 Amb18179377 [0,0,0,0,1,0|2,0,1]=4 1435 B11R1.40 COC(=N)Cc1ccccc1 Amb17673180 [0,0,0,0,1,0|1,0,1]=3 1436 B11R1.40 COC(=N)Cc1ccccc1 Amb22366095 [0,0,0,0,1,0|1,0,1]=3 1437 B11R1.40 COC(=N)Nc1ccccc1 Amb24509579 [0,0,0,0,1,0|2,0,0]=3 1438 B11R1.40 COC(=O)Cc1c[n]c[n]c1 Amb25763089 [0,0,0,0,1,0|2,0,1]=4 1439 B11R1.40 COC(=O)Cc1cc[n][n]c1 Amb22405879 [0,0,0,0,1,0|2,0,1]=4 1440 B11R1.40 COC(=O)Cc1cc[n]c[n]1 Amb22500240 [0,0,0,0,1,0|2,0,1]=4 1441 B11R1.40 COC(=O)Cc1cc[n]cc1 Amb20240688 [0,0,0,0,1,0|1,0,1]=3 1442 B11R1.40 COC(=O)Cc1ccc[n]c1 Amb22497118 [0,0,0,0,1,0|1,0,1]=3 1443 B11R1.40 COC(=O)Cc1ccccn1 Amb1223230 [0,0,0,0,1,0|1,0,1]=3 1444 B11R1.40 COC(=O)Cc1ncccn1 Amb17912090 [0,0,0,0,1,0|2,0,1]=4 1445 B11R1.40 COC(=O)Nc1c[n]c[n]c1 Amb25122552 [0,0,0,0,1,0|3,0,0]=4 1446 B11R1.40 COC(=O)Nc1cc[n]c[n]1 Amb25701812 [0,0,0,0,1,0|3,0,0]=4 1447 B11R1.40 COC(=O)Nc1ccc[n][n]1 Amb24356600 [0,0,0,0,1,0|3,0,0]=4 1448 B11R1.40 COC(=O)Nc1ccccc1 Amb1200636 [0,0,0,0,1,0|1,0,0]=2 1449 B11R1.40 COC(=O)Nc1ccccn1 Amb17860931 [0,0,0,0,1,0|2,0,0]=3 1450 B11R1.40 COC(=O)Nc1cccnc1 Amb2222993 [0,0,0,0,1,0|2,0,0]=3 1451 B11R1.40 COC(=O)Oc1ccccc1 Amb10807421 [0,0,0,0,1,0|1,0,0]=2 1452 B11R1.40 COC(Cl)Cc1ccccc1 Amb24711453 [0,0,0,0,1,0|1,0,2]=4 1453 B11R1.40 COC(O)Cc1ccccc1 Amb24659514 [0,0,0,0,1,0|0,0,3]=4 1454 B11R1.40 CO[SiH](C)Cc1ccccc1 Amb19893555 [0,0,0,0,1,0|1,1,1]=4 1455 B11R1.40 CO\C(=N/c1ccccc1)\[O-] Amb16224823 [0,0,0,0,1,0|1,0,1]=3 1456 B11R1.40 CO\[N+](\[O-])=C\c1c[n]ccc1 Amb25083494 [0,0,0,0,1,0|2,0,1]=4 1457 B11R1.40 CSC(=N)Cc1ccccc1 Amb25211803 [0,0,0,0,1,0|1,1,1]=4 1458 B11R1.40 CSC(=O)Cc1ccccc1 Amb25293907 [0,0,0,0,1,0|0,1,1]=3 1459 B11R1.40 CSC(=O)Nc1ccc[n]c1 Amb24486137 [0,0,0,0,1,0|2,1,0]=4 1460 B11R1.40 C\C(=C/c1cc[n]cc1)\NC Amb25727273 [0,0,0,0,1,0|3,0,0]=4 1461 B11R1.40 C\C(=C/c1ccccc1)\C#N Amb18644009 [0,0,0,0,1,0|3,0,0]=4 1462 B11R1.40 C\C(=C/c1ccccc1)\NC Amb25825428 [0,0,0,0,1,0|2,0,0]=3 1463 B11R1.40 C\C(=C\c1ccccc1)\C=O Amb22058732 [0,0,0,0,1,0|3,0,0]=4 1464 B11R1.40 C\C(=C\c1ccccc1)\N=O Amb25246172 [0,0,0,0,1,0|3,0,0]=4 1465 B11R1.40 C\C(=N\c1cccc[n]1)\OC Amb24095834 [0,0,0,0,1,0|3,0,0]=4 1466 B11R1.40 C\C(\CBr)=C/c1ccccc1 Amb24605004 [0,0,0,0,1,0|3,0,0]=4 1467 B11R1.40 C\C(\CC)=C\c1ccccc1 Amb22546773 [0,0,0,0,1,0|2,0,0]=3 1468 B11R1.40 C\C(\CN)=C/c1ccccc1 Amb25076849 [0,0,0,0,1,0|3,0,0]=4 1469 B11R1.40 C\C(\CN)=C\c1ccccc1 Amb24634730 [0,0,0,0,1,0|3,0,0]=4 1470 B11R1.40 C\N=C(\N)/Cc1ccccc1 Amb23569051 [0,0,0,0,1,0|2,0,1]=4 1471 B11R1.40 ClCC(=O)Cc1ccccc1 Amb2371529 [0,0,0,0,1,0|2,0,1]=4 1472 B11R1.40 ClCC(=O)Oc1ccccc1 Amb1914503 [0,0,0,0,1,0|3,0,0]=4 1473 B11R1.40 ClC\C(\Br)=C\c1ccccc1 Amb25283246 [0,0,0,0,1,0|3,0,0]=4 1474 B11R1.40 Cl\C(\CCl)=C/c1ccccc1 Amb25362063 [0,0,0,0,1,0|3,0,0]=4 1475 B11R1.40 F\C(\CBr)=C\c1ccccc1 Amb24745736 [0,0,0,0,1,0|3,0,0]=4 1476 B11R1.40 N#C\C(\Cl)=C/c1ccccc1 Amb25209358 [0,0,0,0,1,0|3,0,0]=4 1477 B11R1.40 N#C\C(\Cl)=C\c1ccccc1 Amb18126389 [0,0,0,0,1,0|3,0,0]=4 1478 B11R1.40 N#C\C(\F)=C/c1ccccc1 Amb25187404 [0,0,0,0,1,0|3,0,0]=4 1479 B11R1.40 N#C\C(\F)=C\c1ccccc1 Amb18644314 [0,0,0,0,1,0|3,0,0]=4 1480 B11R1.40 NCC(=O)Cc1ccccc1 Amb18202084 [0,0,0,0,1,0|2,0,1]=4 1481 B11R1.40 NCC(=O)Cc1ccccc1 Amb19516183 [0,0,0,0,1,0|2,0,1]=4 1482 B11R1.40 NCC(=O)Nc1ccccc1 Amb10609338 [0,0,0,0,1,0|3,0,0]=4 1483 B11R1.40 NCC(=O)Oc1ccccc1 Amb17334310 [0,0,0,0,1,0|3,0,0]=4 1484 B11R1.40 NC\C(\Cl)=C\c1ccccc1 Amb25259250 [0,0,0,0,1,0|3,0,0]=4 1485 B11R1.40 NNC(=O)Cc1ccccc1 Amb24081244 [0,0,0,0,1,0|2,0,1]=4 1486 B11R1.40 NNC(=O)Nc1ccccc1 Amb1204373 [0,0,0,0,1,0|3,0,0]=4 1487 B11R1.40 NOC(=O)Nc1ccccc1 Amb24484939 [0,0,0,0,1,0|2,0,0]=3 1488 B11R1.40 O=C(C=O)Oc1ccccc1 Amb18125060 [0,0,0,0,1,0|3,0,0]=4 1489 B11R1.40 O=C(CBr)Sc1ccccc1 Amb24730786 [0,0,0,0,1,0|3,0,0]=4 1490 B11R1.40 O=C(CCl)Sc1ccccc1 Amb24712200 [0,0,0,0,1,0|3,0,0]=4 1491 B11R1.40 O=C(CF)Nc1ccccc1 Amb20246909 [0,0,0,0,1,0|3,0,0]=4 1492 B11R1.40 O=C(CI)Nc1ccccc1 Amb21964671 [0,0,0,0,1,0|3,0,0]=4 1493 B11R1.40 O=C(CP)Nc1ccccc1 Amb25032359 [0,0,0,0,1,0|3,0,0]=4 1494 B11R1.40 O=C(Cc1ccccc1)CF Amb22234964 [0,0,0,0,1,0|2,0,1]=4 1495 B11R1.40 O=C(Cc1ccccc1)CS Amb25294429 [0,0,0,0,1,0|2,0,1]=4 1496 B11R1.40 O=C(Cc1ccccc1)O[Ag] Amb22359200 [0,0,0,0,1,0|1,0,1]=3 1497 B11R1.40 O=C(Nc1ccccc1)NCl Amb25756195 [0,0,0,0,1,0|3,0,0]=4 1498 B11R1.40 O=C(Nc1ccccc1)SCl Amb25095177 [0,0,0,0,1,0|2,1,0]=4 1499 B11R1.40 O=CC(=O)Cc1ccccc1 Amb17593687 [0,0,0,0,1,0|2,0,1]=4 1500 B11R1.40 O=C\C(\Br)=C/c1ccccc1 Amb25047719 [0,0,0,0,1,0|3,0,0]=4 1501 B11R1.40 O=C\C(\F)=C/c1ccccc1 Amb25714375 [0,0,0,0,1,0|3,0,0]=4 1502 B11R1.40 O=C\C(\F)=C\c1ccccc1 Amb18125101 [0,0,0,0,1,0|3,0,0]=4 1503 B11R1.40 O=N\C(\Br)=C\c1ccccc1 Amb24666519 [0,0,0,0,1,0|3,0,0]=4 1504 B11R1.40 OCC(=O)Cc1ccccc1 Amb18182729 [0,0,0,0,1,0|2,0,1]=4 1505 B11R1.40 OCC(=O)Nc1ccccc1 Amb1110212 [0,0,0,0,1,0|3,0,0]=4 1506 B11R1.40 OCC(=O)Oc1ccccc1 Amb25149728 [0,0,0,0,1,0|3,0,0]=4 1507 B11R1.40 OC\C(\Br)=C\c1ccccc1 Amb25187542 [0,0,0,0,1,0|3,0,0]=4 1508 B11R1.40 ONC(=O)Oc1ccccc1 Amb22493600 [0,0,0,0,1,0|3,0,0]=4 1509 B11R1.40 O\C(=C/c1ccccc1)\C=O Amb18124881 [0,0,0,0,1,0|2,0,1]=4 1510 B11R1.40 O\C(=C\c1ccccc1)\C=O Amb24595210 [0,0,0,0,1,0|2,0,1]=4 1511 B11R1.40 SCC(=O)Nc1ccccc1 Amb1349645 [0,0,0,0,1,0|3,0,0]=4 1512 B13R1.718 C#CC(=O)C\C=C\c1ccccc1 Amb25706938 [0,0,0,0,0,1|1,0,1]=3 1513 B13R1.718 CC(CN)=C\C=C\c1ccccc1 Amb24710652 [0,0,0,0,0,1|3,0,0]=4 1514 B13R1.718 CC(CO)=C\C=C\c1ccccc1 Amb24693372 [0,0,0,0,0,1|3,0,0]=4 1515 B13R1.718 CCC(=O)C=C=Cc1ccccc1 Amb25713065 [0,0,0,0,0,1|1,0,0]=2 1516 B13R1.718 CCC(=O)CCCc1ccccc1 Amb17138784 [0,0,0,0,0,1|1,0,2]=4 1517 B13R1.718 CCC(=O)COCc1ccccc1 Amb18186198 [0,0,0,0,0,1|1,0,2]=4 1518 B13R1.718 CCC(=O)NOCc1ccccc1 Amb15742563 [0,0,0,0,0,1|2,0,1]=4 1519 B13R1.718 CCC(=O)N\C=C\c1ccccc1 Amb10561812 [0,0,0,0,0,1|1,0,0]=2 1520 B13R1.718 CCC(=O)\C=C\Nc1cccc[n]1 Amb24727148 [0,0,0,0,0,1|2,0,0]=3 1521 B13R1.718 CNC(=O)CCNc1ccccc1 Amb18180793 [0,0,0,0,0,1|1,0,2]=4 1522 B13R1.718 CNC(=O)C\C=C\c1ccccc1 Amb25857434 [0,0,0,0,0,1|1,0,0]=2 1523 B13R1.718 CNC(=O)NCCc1ccccc1 Amb2132768 [0,0,0,0,0,1|1,0,2]=4 1524 B13R1.718 CNC(=O)\C=C/Sc1ccccc1 Amb24669067 [0,0,0,0,0,1|1,0,0]=2 1525 B13R1.718 CNC(=O)\C=N\Nc1ccccc1 Amb24444432 [0,0,0,0,0,1|2,0,0]=3 1526 B13R1.718 CNC(=S)N\N=C\c1ccccc1 Amb25288173 [0,0,0,0,0,1|2,1,0]=4 1527 B13R1.718 COC(=N)CNCc1ccccc1 Amb25074070 [0,0,0,0,0,1|1,0,2]=4 1528 B13R1.718 COC(=N)COCc1ccccc1 Amb24607698 [0,0,0,0,0,1|1,0,2]=4 1529 B13R1.718 COC(=O)C#CCc1c[n]ccc1 Amb24406047 [0,0,0,0,0,1|1,0,2]=4 1530 B13R1.718 COC(=O)C#CCc1ccccc1 Amb24623934 [0,0,0,0,0,1|0,0,2]=3 1531 B13R1.718 COC(=O)CC#Cc1ccccc1 Amb25763626 [0,0,0,0,0,1|0,0,2]=3 1532 B13R1.718 COC(=O)CCCc1cc[n]cc1 Amb19888651 [0,0,0,0,0,1|1,0,2]=4 1533 B13R1.718 COC(=O)CCCc1ccc[n]c1 Amb24066737 [0,0,0,0,0,1|1,0,2]=4 1534 B13R1.718 COC(=O)CCNc1ccc[n]c1 Amb18933308 [0,0,0,0,0,1|1,0,2]=4 1535 B13R1.718 COC(=O)CCNc1ccccc1 Amb1930724 [0,0,0,0,0,1|0,0,2]=3 1536 B13R1.718 COC(=O)CCNc1ccccn1 Amb1243208 [0,0,0,0,0,1|1,0,2]=4 1537 B13R1.718 COC(=O)CC[NH2+]c1ccccc1 Amb10553942 [0,0,0,0,0,1|0,0,2]=3 1538 B13R1.718 COC(=O)CNCc1ccccc1 Amb21929289 [0,0,0,0,0,1|0,0,2]=3 1539 B13R1.718 COC(=O)C\C=C\c1ccccc1 Amb10563169 [0,0,0,0,0,1|0,0,0]=1 1540 B13R1.718 COC(=O)C\N=C\c1ccccc1 Amb22232615 [0,0,0,0,0,1|0,0,1]=2 1541 B13R1.718 COC(=O)NCCc1ccncc1 Amb1089154 [0,0,0,0,0,1|1,0,2]=4 1542 B13R1.718 COC(=O)NOCc1ccccc1 Amb25359225 [0,0,0,0,0,1|1,0,1]=3 1543 B13R1.718 COC(=O)N\C=C\c1ccccc1 Amb20001007 [0,0,0,0,0,1|0,0,0]=1 1544 B13R1.718 COC(=O)N\N=C\c1c[n]cc[n]1 Amb24362505 [0,0,0,0,0,1|3,0,0]=4 1545 B13R1.718 COC(=O)N\N=C\c1ccccc1 Amb2411289 [0,0,0,0,0,1|1,0,0]=2 1546 B13R1.718 COC(=O)\C=C\Nc1ccccc1 Amb2386662 [0,0,0,0,0,1|0,0,0]=1 1547 B13R1.718 COC(=O)\C=N/Nc1ccccc1 Amb24460271 [0,0,0,0,0,1|1,0,0]=2 1548 B13R1.718 CSC(=S)N\N=C\c1ccccc1 Amb1148482 [0,0,0,0,0,1|1,2,0]=4 1549 B13R1.718 CSC(N)=N\N=C\c1ccccc1 Amb25233191 [0,0,0,0,0,1|2,1,0]=4 1550 B13R1.718 CS\C(\N)=N\N=Cc1ccccc1 Amb25109141 [0,0,0,0,0,1|2,1,0]=4 1551 B13R1.718 C\C(\C=O)=C/C=C/c1ccccc1 Amb18126919 [0,0,0,0,0,1|3,0,0]=4 1552 B13R1.718 C\C(\CCl)=C\C=Cc1ccccc1 Amb25806846 [0,0,0,0,0,1|3,0,0]=4 1553 B13R1.718 C\C(\CN)=C\C=Cc1ccccc1 Amb24520771 [0,0,0,0,0,1|3,0,0]=4 1554 B13R1.718 N#CC(=O)N\N=C\c1ccccc1 Amb24069127 [0,0,0,0,0,1|3,0,0]=4 1555 B13R1.718 NCC(=O)N\N=C\c1ccccc1 Amb25360871 [0,0,0,0,0,1|3,0,0]=4 1556 B13R1.718 NNC(=O)C\C=C\c1ccccc1 Amb24540797 [0,0,0,0,0,1|2,0,0]=3 1557 B13R1.718 NNC(=O)N\N=C\c1ccccc1 Amb20093354 [0,0,0,0,0,1|3,0,0]=4 1558 B13R1.718 O=C(CCl)\C=C\Nc1ccccc1 Amb25295464 [0,0,0,0,0,1|2,0,0]=3 1559 B13R1.718 O\C(\C=O)=C/C=C/c1ccccc1 Amb18127198 [0,0,0,0,0,1|2,0,1]=4 1560 B10R0.4 C=C\C=C\C=C\C=C\C(O)=O Amb25386381 [1,0,1,0,0,0|0,0,0]=2 1561 B10R0.4 CC(=O)\C=C\C=C\C=C\C=O Amb25384480 [1,0,1,0,0,0|1,0,0]=3 1562 B10R0.71 CC=CC=CC=CC=CC=O Amb25384138 [1,0,1,0,0,0|2,0,0]=4 1563 B10R0.71 C\C=C\C=C\C=C\C=C\C=O Amb10069453 [1,0,1,0,0,0|2,0,0]=4 1564 B10R0.74 C\C=C\C=C\C=C\C(=O)CC Amb24766965 [1,0,1,0,0,0|1,0,1]=4 1565 B10R0.108 CC(\C=C\C(=O)OC)=CC=O Amb25383527 [1,0,1,0,0,0|1,0,1]=4 1566 B10R0.108 C\C(\C=C\C(=O)OC)=C/C=O Amb25384649 [1,0,1,0,0,0|1,0,1]=4 1567 B10R0.108 C\C(\C=C\C(=O)OC)=C\C=O Amb25383475 [1,0,1,0,0,0|1,0,1]=4 1568 B10R1.17 BrC=C=Cc1ccccc1 Amb17673290 [2,0,0,0,0,0|1,0,1]=4 1569 B10R1.17 Br\C=C/Oc1ccccc1 Amb25794486 [2,0,0,0,0,0|2,0,0]=4 1570 B10R1.17 Br\C=C\Cc1ccccc1 Amb22053885 [2,0,0,0,0,0|1,0,1]=4 1571 B10R1.17 C#C\C=C\c1ccccc1 Amb25146407 [2,0,0,0,0,0|0,0,2]=4 1572 B10R1.17 C=C/C=C/c1ccccc1 Amb17938988 [2,0,0,0,0,0|0,0,1]=3 1573 B10R1.17 C=C\C=C/c1cccc[n]1 Amb25697110 [2,0,0,0,0,0|1,0,1]=4 1574 B10R1.17 C=C\C=C\c1cccc[n]1 Amb24101872 [2,0,0,0,0,0|1,0,1]=4 1575 B10R1.17 CC/C=C/c1ccccc1 Amb17673826 [2,0,0,0,0,0|0,0,1]=3 1576 B10R1.17 CCC=Cc1c[n]ccc1 Amb24085334 [2,0,0,0,0,0|1,0,1]=4 1577 B10R1.17 CCN=Cc1ccccc1 Amb15692852 [2,0,0,0,0,0|1,0,1]=4 1578 B10R1.17 CC\C=C/c1c[n]ccc1 Amb24602371 [2,0,0,0,0,0|1,0,1]=4 1579 B10R1.17 CC\C=C/c1cc[n]cc1 Amb25831273 [2,0,0,0,0,0|1,0,1]=4 1580 B10R1.17 CC\C=C\c1cc[n]cc1 Amb25379243 [2,0,0,0,0,0|1,0,1]=4 1581 B10R1.17 CC\C=C\c1cccc[n]1 Amb22170387 [2,0,0,0,0,0|1,0,1]=4 1582 B10R1.17 CC\N=C\c1ccccc1 Amb10558476 [2,0,0,0,0,0|1,0,1]=4 1583 B10R1.17 CN/N=C/c1ccccc1 Amb17867553 [2,0,0,0,0,0|2,0,0]=4 1584 B10R1.17 CN\C=N\c1ccccc1 Amb25348617 [2,0,0,0,0,0|2,0,0]=4 1585 B10R1.17 COCNc1ccccc1 Amb10565397 [2,0,0,0,0,0|1,0,1]=4 1586 B10R1.17 CON=Cc1ccccc1 Amb22896936 [2,0,0,0,0,0|1,0,0]=3 1587 B10R1.17 CO\C=C/c1c[n]ccc1 Amb24085685 [2,0,0,0,0,0|1,0,0]=3 1588 B10R1.17 CO\C=C/c1cc[n]cc1 Amb24103279 [2,0,0,0,0,0|1,0,0]=3 1589 B10R1.17 CO\C=C/c1cccc[n]1 Amb24106783 [2,0,0,0,0,0|1,0,0]=3 1590 B10R1.17 CO\C=C\c1c[n]ccc1 Amb24085666 [2,0,0,0,0,0|1,0,0]=3 1591 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [2,0,0,0,0,0|0,0,0]=2 1592 B10R1.17 CO\C=N\c1c[n]ccc1 Amb25217756 [2,0,0,0,0,0|2,0,0]=4 1593 B10R1.17 CO\N=C\c1cc[n]cc1 Amb25173617 [2,0,0,0,0,0|2,0,0]=4 1594 B10R1.17 CO\N=C\c1cccc[n]1 Amb24719324 [2,0,0,0,0,0|2,0,0]=4 1595 B10R1.17 CO\N=C\c1ccccc1 Amb25762975 [2,0,0,0,0,0|1,0,0]=3 1596 B10R1.17 C\C=C/Oc1cccc[n]1 Amb24101907 [2,0,0,0,0,0|2,0,0]=4 1597 B10R1.17 C\C=C\C[n+]1ccccc1 Amb24464480 [2,0,0,0,0,0|1,0,1]=4 1598 B10R1.17 C\C=C\Oc1cccc[n]1 Amb24101879 [2,0,0,0,0,0|2,0,0]=4 1599 B10R1.17 C\C=C\Oc1ccccc1 Amb10564701 [2,0,0,0,0,0|1,0,0]=3 1600 B10R1.17 C\C=C\Sc1ccccc1 Amb24665698 [2,0,0,0,0,0|1,0,0]=3 1601 B10R1.17 ClC=C=Cc1ccccc1 Amb17670635 [2,0,0,0,0,0|1,0,1]=4 1602 B10R1.17 ClC=CCc1ccccc1 Amb24093913 [2,0,0,0,0,0|1,0,1]=4 1603 B10R1.17 Cl\C=C\Cc1ccccc1 Amb24384369 [2,0,0,0,0,0|1,0,1]=4 1604 B10R1.17 N#C\C=C\c1ccccc1 Amb1678044 [2,0,0,0,0,0|1,0,1]=4 1605 B10R1.17 NC\C=C/c1ccccc1 Amb24746209 [2,0,0,0,0,0|1,0,1]=4 1606 B10R1.17 NC\C=C\c1ccccc1 Amb16187112 [2,0,0,0,0,0|1,0,1]=4 1607 B10R1.17 O=C=C\C=C/1\C=CC=CN1 Amb25689817 [2,0,0,0,0,0|1,0,1]=4 1608 B10R1.17 O=CCNc1ccccc1 Amb24566865 [2,0,0,0,0,0|1,0,1]=4 1609 B10R1.17 O=CCSc1ccccc1 Amb17082903 [2,0,0,0,0,0|1,0,1]=4 1610 B10R1.17 O=CNCc1ccccc1 Amb1916036 [2,0,0,0,0,0|1,0,1]=4 1611 B10R1.17 O=C\C=C/c1ccccc1 Amb20246989 [2,0,0,0,0,0|0,0,0]=2 1612 B10R1.17 O=C\C=C\N1CC=CC=C1 Amb25829574 [2,0,0,0,0,0|1,0,1]=4 1613 B10R1.17 O=C\C=C\c1c[n][n]cc1 Amb18642955 [2,0,0,0,0,0|2,0,0]=4 1614 B10R1.17 O=C\C=C\c1c[n]c[n]c1 Amb25130263 [2,0,0,0,0,0|2,0,0]=4 1615 B10R1.17 O=C\C=C\c1cc[n]c[n]1 Amb18642951 [2,0,0,0,0,0|2,0,0]=4 1616 B10R1.17 O=C\C=C\c1cc[n]cc1 Amb24325387 [2,0,0,0,0,0|1,0,0]=3 1617 B10R1.17 O=C\C=C\c1ccc[n][n]1 Amb18642956 [2,0,0,0,0,0|2,0,0]=4 1618 B10R1.17 O=C\C=C\c1ccccn1 Amb17334135 [2,0,0,0,0,0|1,0,0]=3 1619 B10R1.17 O=C\C=C\c1cccnc1 Amb17334136 [2,0,0,0,0,0|1,0,0]=3 1620 B10R1.17 O=C\C=C\c1ccncc1 Amb17334137 [2,0,0,0,0,0|1,0,0]=3 1621 B10R1.17 O=C\C=N\c1ccccc1 Amb24561719 [2,0,0,0,0,0|1,0,0]=3 1622 B10R1.17 OC\C=C\c1cc[n]cc1 Amb22749186 [2,0,0,0,0,0|1,0,1]=4 1623 B10R1.17 OC\C=C\c1cccc[n]1 Amb22749315 [2,0,0,0,0,0|1,0,1]=4 1624 B10R1.17 OC\C=C\c1cccnc1 Amb17619713 [2,0,0,0,0,0|1,0,1]=4 1625 B10R1.17 OC\C=N\c1ccccc1 Amb25740591 [2,0,0,0,0,0|1,0,1]=4 1626 B10R1.17 OC\N=C\c1ccccc1 Amb25105990 [2,0,0,0,0,0|1,0,1]=4 1627 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC Amb21964531 [0,1,1,0,0,0|0,0,2]=4 1628 B12R1.1 CCC\C=C/c1ccc(O)cc1 Amb24706851 [1,1,0,0,0,0|1,0,1]=4 1629 B12R1.1 CCC\C=C\c1ccc(F)cc1 Amb24439442 [1,1,0,0,0,0|1,0,1]=4 1630 B12R1.1 CCC\C=C\c1ccc(O)cc1 Amb24604844 [1,1,0,0,0,0|1,0,1]=4 1631 B12R1.1 CCC\C=C\c1ccc(cc1)Cl Amb10566844 [1,1,0,0,0,0|1,0,1]=4 1632 B12R1.1 CC\C=C\Cc1ccc(O)cc1 Amb24612459 [1,1,0,0,0,0|1,0,1]=4 1633 B12R1.1 CC\C=C\Oc1ccc(N)cc1 Amb25689541 [1,1,0,0,0,0|2,0,0]=4 1634 B12R1.1 CNC\C=C\c1ccc(Br)cc1 Amb23555646 [1,1,0,0,0,0|1,0,1]=4 1635 B12R1.1 CNC\C=C\c1ccc(Cl)cc1 Amb23555634 [1,1,0,0,0,0|1,0,1]=4 1636 B12R1.1 CNC\C=C\c1ccc(F)cc1 Amb23442932 [1,1,0,0,0,0|1,0,1]=4 1637 B12R1.1 COC\C=C\c1ccc(O)cc1 Amb25205735 [1,1,0,0,0,0|0,0,1]=3 1638 B12R1.1 C\C=C\C=N\c1ccc(O)cc1 Amb25347542 [1,1,0,0,0,0|2,0,0]=4 1639 B12R1.1 C\N=C\N=Cc1ccc(O)cc1 Amb25328903 [1,1,0,0,0,0|2,0,0]=4 1640 B12R1.1 Cc1ccc(\C=C\C=CCl)cc1 Amb25065319 [1,1,0,0,0,0|2,0,0]=4 1641 B12R1.1 Cc1ccc(\C=C\CNC)cc1 Amb23442830 [1,1,0,0,0,0|1,0,1]=4 1642 B12R1.1 N\N=C\C=Cc1ccc(Cl)cc1 Amb25042591 [1,1,0,0,0,0|2,0,0]=4 1643 B12R1.1 Oc1ccc(C=C\C=N\O)cc1 Amb24697886 [1,1,0,0,0,0|2,0,0]=4 1644 B12R1.8 BrC\C=C\C=Cc1ccccc1 Amb25731131 [1,1,0,0,0,0|1,0,0]=3 1645 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [1,1,0,0,0,0|1,0,1]=4 1646 B12R1.8 CCCN\C=C\c1ccccc1 Amb24565827 [1,1,0,0,0,0|1,0,1]=4 1647 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [1,1,0,0,0,0|1,0,1]=4 1648 B12R1.8 CCO\N=C\Nc1ccccc1 Amb25696637 [1,1,0,0,0,0|2,0,0]=4 1649 B12R1.8 CC\C=C\NCc1ccccc1 Amb24519259 [1,1,0,0,0,0|1,0,1]=4 1650 B12R1.8 CN\C=N\N=Cc1ccccc1 Amb24427674 [1,1,0,0,0,0|2,0,0]=4 1651 B12R1.8 CN\N=C\C=Cc1ccccc1 Amb25807249 [1,1,0,0,0,0|1,0,0]=3 1652 B12R1.8 CS\C=C/CNc1ccccc1 Amb25312228 [1,1,0,0,0,0|0,1,1]=4 1653 B12R1.8 CS\C=C\CNc1ccccc1 Amb25167583 [1,1,0,0,0,0|0,1,1]=4 1654 B12R1.8 ClCC#C\C=C/c1ccccc1 Amb25363289 [1,1,0,0,0,0|1,0,1]=4 1655 B12R1.8 ClC\C=C\C=C\c1ccccc1 Amb25723712 [1,1,0,0,0,0|1,0,0]=3 1656 B12R1.8 ClC\C=C\C=Cc1ccccc1 Amb25677867 [1,1,0,0,0,0|1,0,0]=3 1657 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [1,1,0,0,0,0|1,0,1]=4 1658 B12R1.8 NC\C=C/C=C/c1ccccc1 Amb25199167 [1,1,0,0,0,0|1,0,0]=3 1659 B12R1.8 NC\C=C\C=C\c1ccccc1 Amb10567259 [1,1,0,0,0,0|1,0,0]=3 1660 B12R1.8 NOCC\C=C\c1ccccc1 Amb18563583 [1,1,0,0,0,0|1,0,1]=4 1661 B12R1.8 O=C\C=C\C=C/c1ccccc1 Amb24453384 [1,1,0,0,0,0|1,0,1]=4 1662 B12R1.8 O=C\C=C\C=C\c1ccccc1 Amb17593956 [1,1,0,0,0,0|1,0,1]=4 1663 B12R1.8 O=C\C=C\N=C\c1ccccc1 Amb25827583 [1,1,0,0,0,0|2,0,0]=4 1664 B12R1.8 O=C\C=C\N=Cc1ccccc1 Amb24741714 [1,1,0,0,0,0|2,0,0]=4 1665 B12R1.8 OCCN\C=C\c1ccccc1 Amb25087866 [1,1,0,0,0,0|2,0,0]=4 1666 B12R1.8 OC\C=C\C=Cc1c[n]ccc1 Amb25158051 [1,1,0,0,0,0|2,0,0]=4 1667 B12R1.8 OC\C=C\C=Cc1ccccc1 Amb24700798 [1,1,0,0,0,0|1,0,0]=3 1668 B12R1.28 CNC\C=C\c1cccc(Cl)c1 Amb23442784 [1,1,0,0,0,0|1,0,1]=4 1669 B12R1.28 CNC\C=C\c1cccc(F)c1 Amb23442889 [1,1,0,0,0,0|1,0,1]=4 1670 B12R1.28 CNC\C=C\c1cccc(I)c1 Amb24493313 [1,1,0,0,0,0|1,0,1]=4 1671 B12R1.28 COC\C=C\c1cccc(Br)c1 Amb25245073 [1,1,0,0,0,0|0,0,1]=3 1672 B12R1.28 C\C=C\C=Cc1cccc(O)c1 Amb24707058 [1,1,0,0,0,0|1,0,0]=3 1673 B12R1.28 Cc1cccc(c1)\C=C\CNC Amb23442961 [1,1,0,0,0,0|1,0,1]=4 1674 B12R1.30 C#C\C=C/C(=O)c1ccccc1 Amb25718417 [1,1,0,0,0,0|1,0,1]=4 1675 B12R1.30 CC\C=C/C(=O)c1ccccc1 Amb24722785 [1,1,0,0,0,0|1,0,0]=3 1676 B12R1.30 CC\C=C/C(N)c1ccccc1 Amb25696046 [1,1,0,0,0,0|1,0,1]=4 1677 B12R1.30 CC\C=C/N(C)c1ccccc1 Amb24072870 [1,1,0,0,0,0|2,0,0]=4 1678 B12R1.30 CC\C=C\C(=O)c1ccccc1 Amb24532703 [1,1,0,0,0,0|1,0,0]=3 1679 B12R1.30 CC\C=C\C(O)c1ccccc1 Amb22546781 [1,1,0,0,0,0|1,0,1]=4 1680 B12R1.30 CC\C=C\N(C)c1ccccc1 Amb24575001 [1,1,0,0,0,0|2,0,0]=4 1681 B12R1.30 CN=C=CC(=O)c1ccccc1 Amb24497080 [1,1,0,0,0,0|1,0,1]=4 1682 B12R1.30 CN\C=C/C(=O)c1ccccc1 Amb2386631 [1,1,0,0,0,0|1,0,0]=3 1683 B12R1.30 CN\N=C\C(=O)c1ccccc1 Amb25202730 [1,1,0,0,0,0|2,0,0]=4 1684 B12R1.30 COCCC(=O)c1ccccc1 Amb10602329 [1,1,0,0,0,0|0,0,2]=4 1685 B12R1.30 CO\C=C/C(=O)c1ccccc1 Amb24523909 [1,1,0,0,0,0|0,0,0]=2 1686 B12R1.30 CO\C=C\C(=O)c1ccc[n]c1 Amb24736135 [1,1,0,0,0,0|1,0,0]=3 1687 B12R1.30 CO\C=C\C(=O)c1ccccc1 Amb24370151 [1,1,0,0,0,0|0,0,0]=2 1688 B12R1.30 CO\C=C\C(O)c1ccccc1 Amb25204750 [1,1,0,0,0,0|0,0,1]=3 1689 B12R1.30 CO\N=C\C(=O)c1ccccc1 Amb24512562 [1,1,0,0,0,0|1,0,0]=3 1690 B12R1.30 CO\N=C\C(C)c1ccccc1 Amb24403672 [1,1,0,0,0,0|1,0,1]=4 1691 B12R1.30 CO\N=C\C(O)c1ccccc1 Amb25788975 [1,1,0,0,0,0|1,0,1]=4 1692 B12R1.30 CO\N=C\[C@@H](O)c1ccccc1 Amb24592391 [1,1,0,0,0,0|1,0,1]=4 1693 B12R1.30 C\C(=C/C=C\Cl)\c1ccccc1 Amb24740702 [1,1,0,0,0,0|2,0,0]=4 1694 B12R1.30 C\C(=C/CNC)\c1ccccc1 Amb23555664 [1,1,0,0,0,0|1,0,1]=4 1695 B12R1.30 C\C(=C\C=CCl)\c1ccccc1 Amb24627050 [1,1,0,0,0,0|2,0,0]=4 1696 B12R1.30 C\C=C/CC(=O)c1ccccc1 Amb24594702 [1,1,0,0,0,0|1,0,1]=4 1697 B12R1.30 C\C=C/NC(=O)c1ccccc1 Amb24072871 [1,1,0,0,0,0|2,0,0]=4 1698 B12R1.30 C\C=C/NC(=S)c1ccccc1 Amb25273960 [1,1,0,0,0,0|2,0,0]=4 1699 B12R1.30 C\N=C\CC(=O)c1ccccc1 Amb25834458 [1,1,0,0,0,0|1,0,1]=4 1700 B12R1.30 N#C\C=C\C(=O)c1ccccc1 Amb18644896 [1,1,0,0,0,0|2,0,0]=4 1701 B12R1.30 O=C(\C=C/C=O)c1ccccc1 Amb25359189 [1,1,0,0,0,0|2,0,0]=4 1702 B12R1.30 O=C(\C=C\C=O)c1ccccc1 Amb18645282 [1,1,0,0,0,0|2,0,0]=4 1703 B12R1.30 OC\C=C\C(=O)c1ccccc1 Amb24706829 [1,1,0,0,0,0|2,0,0]=4 1704 B12R1.30 O\N=C\C=C(/Cl)\c1ccccc1 Amb22224815 [1,1,0,0,0,0|2,0,0]=4 1705 B12R1.30 [Na]O\C=C\C(=O)c1ccccc1 Amb2370899 [1,1,0,0,0,0|1,0,0]=3 1706 B12R1.32 CCC\C(\I)=C/c1ccccc1 Amb22546627 [1,1,0,0,0,0|1,0,1]=4 1707 B12R1.32 CNC\C(=C\c1ccccc1)\C Amb17100030 [1,1,0,0,0,0|1,0,1]=4 1708 B12R1.32 CONC(=O)Cc1ccccc1 Amb16969924 [1,1,0,0,0,0|1,0,1]=4 1709 B12R1.32 CONC(=O)Oc1ccccc1 Amb16969957 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.32 CONC(=S)Nc1ccccc1 Amb24497042 [1,1,0,0,0,0|2,0,0]=4 1711 B12R1.32 C\C(=C\CC)\Nc1ccccc1 Amb25678437 [1,1,0,0,0,0|2,0,0]=4 1712 B12R1.32 C\C=C\C(=O)Nc1ccccc1 Amb24497299 [1,1,0,0,0,0|2,0,0]=4 1713 B12R1.32 N\N=C\C(Br)=Cc1ccccc1 Amb24406450 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.32 ON=CC(Cl)=Cc1ccccc1 Amb24061196 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.32 O\N=C\C(Br)=Cc1ccccc1 Amb25852504 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.32 O\N=C\C(Cl)=Cc1ccccc1 Amb25855465 [1,1,0,0,0,0|2,0,0]=4 1717 B12R1.252 BrC(Br)=CC=Cc1ccccc1 Amb24698537 [1,1,0,0,0,0|2,0,0]=4 1718 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [1,1,0,0,0,0|1,0,1]=4 1719 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb10565265 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb25735703 [1,1,0,0,0,0|2,0,0]=4 1722 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb25179518 [1,1,0,0,0,0|1,0,1]=4 1723 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [1,1,0,0,0,0|2,0,0]=4 1724 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb25179665 [1,1,0,0,0,0|2,0,0]=4 1725 B12R1.252 CC(=S)\C=C\Nc1ccccc1 Amb25732011 [1,1,0,0,0,0|2,0,0]=4 1726 B12R1.252 CC(C)=C\C=C/c1cccc[n]1 Amb22546609 [1,1,0,0,0,0|2,0,0]=4 1727 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb22347651 [1,1,0,0,0,0|1,0,0]=3 1728 B12R1.252 CC(C)\C=C\Nc1ccccc1 Amb25844091 [1,1,0,0,0,0|2,0,0]=4 1729 B12R1.252 CC(Cl)\C=C\Cc1ccccc1 Amb25724973 [1,1,0,0,0,0|1,0,1]=4 1730 B12R1.252 CC(N)=N\C=C\c1ccccc1 Amb25273902 [1,1,0,0,0,0|2,0,0]=4 1731 B12R1.252 CC(O)C=C=Cc1ccccc1 Amb24431362 [1,1,0,0,0,0|1,0,1]=4 1732 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb24645318 [1,1,0,0,0,0|1,0,1]=4 1733 B12R1.252 CN(C)C\C=C\c1ccccc1 Amb24434314 [1,1,0,0,0,0|1,0,1]=4 1734 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb25846224 [1,1,0,0,0,0|1,0,1]=4 1735 B12R1.252 C[C@@H](O)\C=C\Sc1ccccc1 Amb25052220 [1,1,0,0,0,0|2,0,0]=4 1736 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb25080010 [1,1,0,0,0,0|1,0,1]=4 1737 B12R1.252 C\C(\N)=C\C=Nc1ccccc1 Amb25200020 [1,1,0,0,0,0|2,0,0]=4 1738 B12R1.267 CCC\C=C/c1ccccc1O Amb24662307 [1,1,0,0,0,0|1,0,1]=4 1739 B12R1.267 CCC\C=C\c1ccccc1O Amb24707025 [1,1,0,0,0,0|1,0,1]=4 1740 B12R1.267 CCOC=Cc1ccccc1Cl Amb17611041 [1,1,0,0,0,0|2,0,0]=4 1741 B12R1.267 CCO\C=C/c1ccccc1Cl Amb24487266 [1,1,0,0,0,0|2,0,0]=4 1742 B12R1.267 CCO\C=C/c1ccccc1N Amb25808782 [1,1,0,0,0,0|2,0,0]=4 1743 B12R1.267 CCO\C=C\c1ccccc1Cl Amb24603799 [1,1,0,0,0,0|2,0,0]=4 1744 B12R1.267 CCO\C=C\c1ccccc1N Amb25275396 [1,1,0,0,0,0|2,0,0]=4 1745 B12R1.267 CC\C=C\Cc1ccccc1O Amb25730107 [1,1,0,0,0,0|1,0,1]=4 1746 B12R1.267 CNC\C=C\c1ccccc1Br Amb25088168 [1,1,0,0,0,0|1,0,1]=4 1747 B12R1.267 CNC\C=C\c1ccccc1Cl Amb23442848 [1,1,0,0,0,0|1,0,1]=4 1748 B12R1.267 CNC\C=C\c1ccccc1F Amb23442841 [1,1,0,0,0,0|1,0,1]=4 1749 B12R1.267 C\C=C\C=C/c1ccccc1O Amb25059605 [1,1,0,0,0,0|1,0,0]=3 1750 B12R1.267 C\C=C\C=C\c1ccccc1O Amb25142713 [1,1,0,0,0,0|1,0,0]=3 1751 B12R1.267 Cc1ccccc1\C=C\CNC Amb23442941 [1,1,0,0,0,0|1,0,1]=4 1752 B12R1.21 CC(=O)C#Cc1ccc(Cl)cc1 Amb24645414 [1,1,0,0,0,0|0,0,2]=4 1753 B12R1.21 CC(=O)C#Cc1ccc(F)cc1 Amb24484221 [1,1,0,0,0,0|0,0,2]=4 1754 B12R1.21 CC(=O)CNc1ccc(Cl)cc1 Amb24729554 [1,1,0,0,0,0|1,0,1]=4 1755 B12R1.21 CC(=O)COc1ccc(O)cc1 Amb18646453 [1,1,0,0,0,0|1,0,1]=4 1756 B12R1.21 CC(=O)COc1ccc(cc1)Br Amb17601394 [1,1,0,0,0,0|1,0,1]=4 1757 B12R1.21 CC(=O)COc1ccc(cc1)Cl Amb1094739 [1,1,0,0,0,0|1,0,1]=4 1758 B12R1.21 CC(=O)COc1ccc(cc1)N Amb17110083 [1,1,0,0,0,0|1,0,1]=4 1759 B12R1.21 CC(=O)NCc1ccc(Br)cc1 Amb20622638 [1,1,0,0,0,0|1,0,1]=4 1760 B12R1.21 CC(=O)NCc1ccc(cc1)O Amb10549495 [1,1,0,0,0,0|1,0,1]=4 1761 B12R1.21 CC(=O)NNc1ccc(N)cc1 Amb18646317 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.21 CC(=O)NNc1ccc(cc1)Br Amb1040272 [1,1,0,0,0,0|2,0,0]=4 1763 B12R1.21 CC(=O)NNc1ccc(cc1)C Amb1040273 [1,1,0,0,0,0|2,0,0]=4 1764 B12R1.21 CC(=O)NOc1ccc(N)cc1 Amb25742910 [1,1,0,0,0,0|2,0,0]=4 1765 B12R1.21 CC(=O)OCc1ccc(I)cc1 Amb25687671 [1,1,0,0,0,0|1,0,1]=4 1766 B12R1.21 CC(=O)OCc1ccc(O)cc1 Amb18646455 [1,1,0,0,0,0|1,0,1]=4 1767 B12R1.21 CC(=O)OCc1ccc(cc1)Cl Amb2421366 [1,1,0,0,0,0|1,0,1]=4 1768 B12R1.21 CC(=O)ONc1ccc(O)cc1 Amb24497023 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.21 CC(=O)OOc1ccc(N)cc1 Amb22233285 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.21 CC(=O)O[Hg]c1ccc(N)cc1 Amb22351859 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.21 CC(=O)SCc1ccc(Br)cc1 Amb22338619 [1,1,0,0,0,0|1,0,1]=4 1772 B12R1.21 CC(=O)SSc1ccc(O)cc1 Amb25373390 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.21 CC(=O)\C=C\c1ccc(I)cc1 Amb25736694 [1,1,0,0,0,0|0,0,0]=2 1774 B12R1.21 CC(=O)\C=C\c1ccc(N)cc1 Amb23247750 [1,1,0,0,0,0|0,0,0]=2 1775 B12R1.21 CC(=O)\N=C/c1ccc(Cl)cc1 Amb24073008 [1,1,0,0,0,0|1,0,0]=3 1776 B12R1.21 CC(=O)\N=C\c1ccc(Cl)cc1 Amb24404018 [1,1,0,0,0,0|1,0,0]=3 1777 B12R1.21 CC(=O)\N=C\c1ccc(O)cc1 Amb25059643 [1,1,0,0,0,0|1,0,0]=3 1778 B12R1.21 CC(Br)\C=C\c1ccc(Cl)cc1 Amb25297750 [1,1,0,0,0,0|1,0,1]=4 1779 B12R1.21 CC(Br)\C=C\c1ccc(F)cc1 Amb25847386 [1,1,0,0,0,0|1,0,1]=4 1780 B12R1.21 CC(C)=CNc1ccc(Cl)cc1 Amb25691550 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.21 CC(C)\C=C\c1ccc(O)cc1 Amb18645701 [1,1,0,0,0,0|1,0,1]=4 1782 B12R1.21 CC(Cl)\C=C\c1ccc(Br)cc1 Amb25823363 [1,1,0,0,0,0|1,0,1]=4 1783 B12R1.21 CC(N)\C=C/c1ccc(Cl)cc1 Amb25794177 [1,1,0,0,0,0|1,0,1]=4 1784 B12R1.21 CC(N)\C=C\c1ccc(Br)cc1 Amb24453464 [1,1,0,0,0,0|1,0,1]=4 1785 B12R1.21 CC(N)\C=C\c1ccc(O)cc1 Amb24405910 [1,1,0,0,0,0|1,0,1]=4 1786 B12R1.21 CC(O)\C=C\c1ccc(I)cc1 Amb24493262 [1,1,0,0,0,0|0,0,2]=4 1787 B12R1.21 CS(=O)\C=C/c1ccc(Cl)cc1 Amb24309137 [1,1,0,0,0,0|1,0,0]=3 1788 B12R1.21 C[C@@H](N)\C=C/c1ccc(Cl)cc1 Amb24601708 [1,1,0,0,0,0|1,0,1]=4 1789 B12R1.21 C[C@@H](O)\C=C\c1ccc(Cl)cc1 Amb24497692 [1,1,0,0,0,0|0,0,2]=4 1790 B12R1.21 C[C@H](O)\C=C\c1ccc(Cl)cc1 Amb25051261 [1,1,0,0,0,0|0,0,2]=4 1791 B12R1.21 C[C@H](O)\C=C\c1ccc(F)cc1 Amb25052234 [1,1,0,0,0,0|0,0,2]=4 1792 B12R1.21 Cc1ccc(\C=C/C(C)=O)cc1 Amb24422503 [1,1,0,0,0,0|0,0,0]=2 1793 B12R1.21 Cc1ccc(\C=C\B(O)O)cc1 Amb20671353 [1,1,0,0,0,0|1,0,1]=4 1794 B12R1.21 Cc1ccc(\C=C\C(C)=O)[n]c1 Amb24527877 [1,1,0,0,0,0|1,0,0]=3 1795 B12R1.21 Cc1ccc(\C=C\C(C)N)cc1 Amb24698144 [1,1,0,0,0,0|1,0,1]=4 1796 B12R1.21 Cc1ccc(\C=C\C(C)O)cc1 Amb24707156 [1,1,0,0,0,0|0,0,2]=4 1797 B12R1.21 Cc1ccc(\C=C\C(N)=O)[n]c1 Amb24351916 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.21 Cc1ccc(\C=C\C(N)=S)cc1 Amb18106294 [1,1,0,0,0,0|1,1,0]=4 1799 B12R1.21 Cc1ccc(\C=C\C(O)=O)[n]c1 Amb24711355 [1,1,0,0,0,0|1,0,0]=3 1800 B12R1.21 Cc1ccc(\C=C\C(O)=O)c[n]1 Amb18645813 [1,1,0,0,0,0|1,0,0]=3 1801 B12R1.21 Cc1ccc(\C=C\N(C)C)cc1 Amb24068828 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.21 Cc1ccc(\C=C\[C@@H](C)O)cc1 Amb25119983 [1,1,0,0,0,0|0,0,2]=4 1803 B12R1.21 Cc1ccc(cc1)NCC(C)=O Amb25068510 [1,1,0,0,0,0|1,0,1]=4 1804 B12R1.21 Cc1ccc(cc1)NOC(C)=O Amb24073550 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.21 Cc1ccc(cc1)\N=C\C(C)=O Amb25334923 [1,1,0,0,0,0|1,0,0]=3 1806 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)Br Amb16230246 [1,1,0,0,0,0|1,0,0]=3 1807 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)C Amb16230247 [1,1,0,0,0,0|1,0,0]=3 1808 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)Cl Amb16186540 [1,1,0,0,0,0|1,0,0]=3 1809 B12R1.21 NC(=N)\C=C\c1ccc(F)cc1 Amb24567885 [1,1,0,0,0,0|2,0,0]=4 1810 B12R1.21 NC(=N)\C=C\c1ccc(O)cc1 Amb25227444 [1,1,0,0,0,0|2,0,0]=4 1811 B12R1.21 NC(=O)\C=C/c1ccc(cc1)Cl Amb17142990 [1,1,0,0,0,0|1,0,0]=3 1812 B12R1.21 NC(=O)\C=C\c1ccc(Br)c[n]1 Amb24678129 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.21 NC(=O)\C=C\c1ccc(I)cc1 Amb24758181 [1,1,0,0,0,0|1,0,0]=3 1814 B12R1.21 NC(=O)\C=C\c1ccc(cc1)C Amb1662617 [1,1,0,0,0,0|1,0,0]=3 1815 B12R1.21 NC(=O)\N=C\c1ccc(Cl)cc1 Amb24557825 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.21 NC(=S)\C=C\c1ccc(Br)cc1 Amb25048524 [1,1,0,0,0,0|1,1,0]=4 1817 B12R1.21 NC(=S)\C=C\c1ccc(Cl)cc1 Amb18108355 [1,1,0,0,0,0|1,1,0]=4 1818 B12R1.21 NC(=S)\C=C\c1ccc(F)cc1 Amb18627061 [1,1,0,0,0,0|1,1,0]=4 1819 B12R1.21 NC(=S)\C=C\c1ccc(O)cc1 Amb25100687 [1,1,0,0,0,0|1,1,0]=4 1820 B12R1.21 Nc1ccc(\C=C\B(O)O)cc1 Amb24642812 [1,1,0,0,0,0|1,0,1]=4 1821 B12R1.21 Nc1ccc(\C=C\C(N)=O)cc1 Amb25365075 [1,1,0,0,0,0|1,0,0]=3 1822 B12R1.21 Nc1ccc(\C=C\C(O)=O)c[n]1 Amb19958812 [1,1,0,0,0,0|1,0,0]=3 1823 B12R1.21 Nc1ccc(cc1)C#CC(O)=O Amb25111179 [1,1,0,0,0,0|0,0,2]=4 1824 B12R1.21 Nc1ccc(cc1)NCC(O)=O Amb18296058 [1,1,0,0,0,0|1,0,1]=4 1825 B12R1.21 Nc1ccc(cc1)OCC(O)=O Amb22751390 [1,1,0,0,0,0|1,0,1]=4 1826 B12R1.21 O=N(=O)\C=C\c1ccc(Cl)cc1 Amb20620832 [1,1,0,0,0,0|1,0,1]=4 1827 B12R1.21 OB(\C=C\c1ccc(cc1)Cl)O Amb2455790 [1,1,0,0,0,0|1,0,1]=4 1828 B12R1.21 OB(\C=C\c1ccc(cc1)F)O Amb2455999 [1,1,0,0,0,0|1,0,1]=4 1829 B12R1.21 OC(=O)C#Cc1ccc(cc1)C Amb17138496 [1,1,0,0,0,0|0,0,2]=4 1830 B12R1.21 OC(=O)C#Cc1ccc(cc1)Cl Amb10575987 [1,1,0,0,0,0|0,0,2]=4 1831 B12R1.21 OC(=O)C#Cc1ccc(cc1)F Amb17138570 [1,1,0,0,0,0|0,0,2]=4 1832 B12R1.21 OC(=O)C=Cc1ccc(I)cc1 Amb24079623 [1,1,0,0,0,0|0,0,0]=2 1833 B12R1.21 OC(=O)CCc1ccc(cc1)Br Amb1220330 [1,1,0,0,0,0|0,0,2]=4 1834 B12R1.21 OC(=O)CCc1ccc(cc1)C Amb1225383 [1,1,0,0,0,0|0,0,2]=4 1835 B12R1.21 OC(=O)CCc1ccc(cc1)Cl Amb1093991 [1,1,0,0,0,0|0,0,2]=4 1836 B12R1.21 OC(=O)CCc1ccc(cc1)F Amb1214879 [1,1,0,0,0,0|0,0,2]=4 1837 B12R1.21 OC(=O)CNc1ccc(cc1)Br Amb1981434 [1,1,0,0,0,0|1,0,1]=4 1838 B12R1.21 OC(=O)CNc1ccc(cc1)C Amb1106469 [1,1,0,0,0,0|1,0,1]=4 1839 B12R1.21 OC(=O)CNc1ccc(cc1)Cl Amb1486152 [1,1,0,0,0,0|1,0,1]=4 1840 B12R1.21 OC(=O)CNc1ccc(cc1)O Amb1950558 [1,1,0,0,0,0|1,0,1]=4 1841 B12R1.21 OC(=O)COc1ccc(cc1)Cl Amb1830178 [1,1,0,0,0,0|1,0,1]=4 1842 B12R1.21 OC(=O)COc1ccc(cc1)F Amb1210357 [1,1,0,0,0,0|1,0,1]=4 1843 B12R1.21 OC(=O)COc1ccc(cc1)I Amb1152251 [1,1,0,0,0,0|1,0,1]=4 1844 B12R1.21 OC(=O)COc1ccc(cc1)N Amb1034889 [1,1,0,0,0,0|1,0,1]=4 1845 B12R1.21 OC(=O)CSc1ccc(S)cc1 Amb24341890 [1,1,0,0,0,0|1,0,1]=4 1846 B12R1.21 OC(=O)CSc1ccc(cc1)Br Amb1208368 [1,1,0,0,0,0|1,0,1]=4 1847 B12R1.21 OC(=O)CSc1ccc(cc1)C Amb1197696 [1,1,0,0,0,0|1,0,1]=4 1848 B12R1.21 OC(=O)CSc1ccc(cc1)F Amb1209262 [1,1,0,0,0,0|1,0,1]=4 1849 B12R1.21 OC(=O)\C=C/c1ccc(F)cc1 Amb24712642 [1,1,0,0,0,0|0,0,0]=2 1850 B12R1.21 OC(=O)\C=C/c1ccc(cc1)Cl Amb2553273 [1,1,0,0,0,0|0,0,0]=2 1851 B12R1.21 OC(=O)\C=C\C=1C=CC(=O)NN1 Amb18212061 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.21 OC(=O)\C=C\C=1C=CC(=O)ON1 Amb24573497 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.21 OC(=O)\C=C\c1ccc(Br)[n]c1 Amb21864750 [1,1,0,0,0,0|1,0,0]=3 1854 B12R1.21 OC(=O)\C=C\c1ccc(Br)c[n]1 Amb24593980 [1,1,0,0,0,0|1,0,0]=3 1855 B12R1.21 OC(=O)\C=C\c1ccc(Cl)[n]c1 Amb22002669 [1,1,0,0,0,0|1,0,0]=3 1856 B12R1.21 OC(=O)\C=C\c1ccc(F)c[n]1 Amb21962831 [1,1,0,0,0,0|1,0,0]=3 1857 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Br Amb1209603 [1,1,0,0,0,0|0,0,0]=2 1858 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl Amb1210744 [1,1,0,0,0,0|0,0,0]=2 1859 B12R1.21 OC(=O)\C=C\c1ccc(cc1)I Amb2227429 [1,1,0,0,0,0|0,0,0]=2 1860 B12R1.21 OC(=O)\C=C\c1ccc(cc1)N Amb1196689 [1,1,0,0,0,0|0,0,0]=2 1861 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O Amb1207922 [1,1,0,0,0,0|0,0,0]=2 1862 B12R1.21 OC(=O)\C=C\c1ccc(cc1)S Amb17616840 [1,1,0,0,0,0|0,0,0]=2 1863 B12R1.21 OC(=O)\C=C\c1cnc(nc1)C Amb12805675 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.21 Oc1ccc(\C=C\C(O)=O)[n]c1 Amb25794684 [1,1,0,0,0,0|1,0,0]=3 1865 B12R1.21 Oc1ccc(c[n]1)\C=C\C(O)=O Amb25111280 [1,1,0,0,0,0|1,0,0]=3 1866 B12R1.21 Oc1ccc(cc1)C#CC(O)=O Amb23569631 [1,1,0,0,0,0|0,0,2]=4 1867 B12R1.21 Oc1ccc(cc1)SCC(O)=O Amb18291566 [1,1,0,0,0,0|1,0,1]=4 1868 B12R1.21 Oc1ccc(cc1)\C=C\[N+](=O)[O-] Amb2459904 [1,1,0,0,0,0|1,0,1]=4 1869 B12R1.21 [O-]C(=O)\C=C\c1ccc(cc1)C Amb10553862 [1,1,0,0,0,0|0,0,1]=3 1870 B12R1.21 [O-]S(=O)\C=C\c1ccc(Br)cc1 Amb24629048 [1,1,0,0,0,0|1,0,1]=4 1871 B12R1.21 [O-]S(=O)\C=C\c1ccc(F)cc1 Amb25180163 [1,1,0,0,0,0|1,0,1]=4 1872 B12R1.21 [O-][N+](=O)C=Cc1ccc(Br)cc1 Amb24078358 [1,1,0,0,0,0|1,0,1]=4 1873 B12R1.21 [O-][N+](=O)\C=C/c1ccc(Cl)cc1 Amb24598645 [1,1,0,0,0,0|1,0,1]=4 1874 B12R1.21 [O-][N+](=O)\C=C/c1ccc(F)cc1 Amb24406706 [1,1,0,0,0,0|1,0,1]=4 1875 B12R1.21 [O-][N+](=O)\C=C\c1ccc(I)cc1 Amb24641629 [1,1,0,0,0,0|1,0,1]=4 1876 B12R1.21 [O-][N+](=O)\C=C\c1ccc(S)cc1 Amb24563523 [1,1,0,0,0,0|1,0,1]=4 1877 B12R1.21 [O-][n+]1ccc(\C=C\C(O)=O)cc1 Amb25076703 [1,1,0,0,0,0|1,0,0]=3 1878 B12R1.43 BrC(C(=O)C)Cc1ccccc1 Amb17507835 [1,1,0,0,0,0|0,0,2]=4 1879 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 Amb17610062 [1,1,0,0,0,0|0,0,2]=4 1880 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 Amb17610063 [1,1,0,0,0,0|0,0,2]=4 1881 B12R1.43 Br\C(=C/c1ccccc1)\C(=O)C Amb17596166 [1,1,0,0,0,0|0,0,0]=2 1882 B12R1.43 C=C(Cc1ccccc1)C(N)=O Amb24634331 [1,1,0,0,0,0|1,0,1]=4 1883 B12R1.43 C=C(Oc1ccccc1)C(O)=O Amb24692764 [1,1,0,0,0,0|1,0,0]=3 1884 B12R1.43 C=C(Sc1ccccc1)C(N)=O Amb24739855 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.43 CC(=Cc1c[n]c[n]c1)C(C)=O Amb25228861 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl Amb24061289 [1,1,0,0,0,0|1,0,0]=3 1887 B12R1.43 CC(=O)C(=C)Oc1ccccc1 Amb25714243 [1,1,0,0,0,0|1,0,0]=3 1888 B12R1.43 CC(=O)C(=O)Cc1c[n]ccc1 Amb24556780 [1,1,0,0,0,0|1,0,1]=4 1889 B12R1.43 CC(=O)C(=O)Cc1cc[n]cc1 Amb24555440 [1,1,0,0,0,0|1,0,1]=4 1890 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [1,1,0,0,0,0|0,0,1]=3 1891 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [1,1,0,0,0,0|0,0,2]=4 1892 B12R1.43 CC(=O)N(C)Nc1ccccc1 Amb22359748 [1,1,0,0,0,0|2,0,0]=4 1893 B12R1.43 CC(=O)N(O)Cc1ccccc1 Amb25297453 [1,1,0,0,0,0|1,0,1]=4 1894 B12R1.43 CC(=O)[C@@H](C)Cc1ccccc1 Amb24356281 [1,1,0,0,0,0|0,0,2]=4 1895 B12R1.43 CC(=O)[C@@H](C)Oc1ccccc1 Amb25833650 [1,1,0,0,0,0|1,0,1]=4 1896 B12R1.43 CC(=O)[C@@H](Cl)Cc1ccccc1 Amb24595784 [1,1,0,0,0,0|0,0,2]=4 1897 B12R1.43 CC(=O)[C@@H](O)Cc1ccccc1 Amb24722888 [1,1,0,0,0,0|0,0,2]=4 1898 B12R1.43 CC(=O)[C@H](C)Cc1ccccc1 Amb25233687 [1,1,0,0,0,0|0,0,2]=4 1899 B12R1.43 CC(=O)\C(\O)=C\c1ccccc1 Amb24456527 [1,1,0,0,0,0|0,0,0]=2 1900 B12R1.43 CC(C(=O)C)Cc1ccccc1 Amb17232407 [1,1,0,0,0,0|0,0,2]=4 1901 B12R1.43 CC(C(=O)C)Oc1ccccc1 Amb2439364 [1,1,0,0,0,0|1,0,1]=4 1902 B12R1.43 CC(C(=O)O)Nc1ccccc1 Amb1213440 [1,1,0,0,0,0|1,0,1]=4 1903 B12R1.43 CC(C(=O)O)Sc1ccccc1 Amb1215286 [1,1,0,0,0,0|1,0,1]=4 1904 B12R1.43 CC(Pc1ccccc1)C(O)=O Amb25059181 [1,1,0,0,0,0|1,0,1]=4 1905 B12R1.43 CN(C)\C(\S)=C/c1ccccc1 Amb25129445 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 Amb10844541 [1,1,0,0,0,0|0,0,2]=4 1907 B12R1.43 C[C@@H](Nc1ccccc1)C(O)=O Amb22801823 [1,1,0,0,0,0|1,0,1]=4 1908 B12R1.43 C[C@@H](Oc1ccccc1)C(O)=O Amb22736710 [1,1,0,0,0,0|1,0,1]=4 1909 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 Amb10844540 [1,1,0,0,0,0|0,0,2]=4 1910 B12R1.43 C[C@H](Nc1ccccc1)C(O)=O Amb24434019 [1,1,0,0,0,0|1,0,1]=4 1911 B12R1.43 C[C@H](Oc1ccccc1)C(O)=O Amb22736711 [1,1,0,0,0,0|1,0,1]=4 1912 B12R1.43 C[C@H](Sc1ccccc1)C(O)=O Amb24390829 [1,1,0,0,0,0|1,0,1]=4 1913 B12R1.43 C\C(=C/c1c[n]ccc1)\C(C)=O Amb25373091 [1,1,0,0,0,0|1,0,0]=3 1914 B12R1.43 C\C(=C/c1cc[n]cc1)\C(C)=O Amb24424922 [1,1,0,0,0,0|1,0,0]=3 1915 B12R1.43 C\C(=C/c1cccc[n]1)\C(C)=O Amb25066316 [1,1,0,0,0,0|1,0,0]=3 1916 B12R1.43 C\C(=C/c1ccccc1)\C(=O)C Amb17594004 [1,1,0,0,0,0|0,0,0]=2 1917 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O Amb2099512 [1,1,0,0,0,0|0,0,0]=2 1918 B12R1.43 C\C(=C/c1ccccc1)\[C@@H](C)O Amb25816522 [1,1,0,0,0,0|0,0,2]=4 1919 B12R1.43 C\C(=C\c1cc[n]c[n]1)\C(O)=O Amb25383291 [1,1,0,0,0,0|2,0,0]=4 1920 B12R1.43 C\C(=C\c1ccccc1)\C(N)=O Amb24388896 [1,1,0,0,0,0|1,0,0]=3 1921 B12R1.43 C\C(=C\c1ccccc1)\C(O)=O Amb24603461 [1,1,0,0,0,0|0,0,0]=2 1922 B12R1.43 C\C(=C\c1ccccc1)\[N+]([O-])=O Amb21520351 [1,1,0,0,0,0|1,0,1]=4 1923 B12R1.43 C\C(=N/c1ccccc1)\C(C)=O Amb24537849 [1,1,0,0,0,0|1,0,0]=3 1924 B12R1.43 C\C(=N\c1ccccc1)\C(O)=O Amb24068331 [1,1,0,0,0,0|1,0,0]=3 1925 B12R1.43 ClC(C(=O)C)Cc1ccccc1 Amb17204329 [1,1,0,0,0,0|0,0,2]=4 1926 B12R1.43 ClC(C(=O)O)Cc1ccccc1 Amb17204339 [1,1,0,0,0,0|0,0,2]=4 1927 B12R1.43 N=C(Nc1ccccc1)C(O)=O Amb18645991 [1,1,0,0,0,0|1,0,0]=3 1928 B12R1.43 NC(=Cc1ccccc1)C(O)=O Amb24081025 [1,1,0,0,0,0|0,0,0]=2 1929 B12R1.43 NC(=O)C(=N)Nc1ccccc1 Amb24106231 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.43 NC(C(=O)C)Cc1ccccc1 Amb1099237 [1,1,0,0,0,0|0,0,2]=4 1931 B12R1.43 NC(C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22367486 [1,1,0,0,0,0|0,0,2]=4 1932 B12R1.43 NC(Cc1ccccc1)C(O)=O Amb19958284 [1,1,0,0,0,0|0,0,2]=4 1933 B12R1.43 NC(Cc1ccccc1)[13C](O)=O Amb22363196 [1,1,0,0,0,0|0,0,2]=4 1934 B12R1.43 NC(Oc1ccccc1)C(O)=O Amb25060706 [1,1,0,0,0,0|1,0,1]=4 1935 B12R1.43 NC([13CH2]c1ccccc1)C(O)=O Amb22363309 [1,1,0,0,0,0|0,0,2]=4 1936 B12R1.43 N[13C@@H](Cc1ccccc1)C(O)=O Amb22351319 [1,1,0,0,0,0|0,0,2]=4 1937 B12R1.43 N[13CH](Cc1ccccc1)C(O)=O Amb22367538 [1,1,0,0,0,0|0,0,2]=4 1938 B12R1.43 N[14CH]([14CH2]c1ccccc1)[14C](O)=O Amb22352760 [1,1,0,0,0,0|0,0,2]=4 1939 B12R1.43 N[C@@H](C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22353689 [1,1,0,0,0,0|0,0,2]=4 1940 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O Amb22351110 [1,1,0,0,0,0|0,0,2]=4 1941 B12R1.43 N\C(=C/c1cc[n]c[n]1)\C(O)=O Amb24390213 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.43 N\C(=C\c1cc[n]c[n]1)\C(O)=O Amb24518466 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.43 N\C(=C\c1ccc[n]c1)\C(O)=O Amb25254657 [1,1,0,0,0,0|1,0,0]=3 1944 B12R1.43 O=C(C(=O)C)Nc1ccccc1 Amb2383839 [1,1,0,0,0,0|1,0,0]=3 1945 B12R1.43 O=C(C(=O)N)Nc1ccccc1 Amb1859924 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.43 O=C(C(=O)O)Cc1ccncc1 Amb17477816 [1,1,0,0,0,0|1,0,1]=4 1947 B12R1.43 O=C(Nc1ccccc1)C(=O)Cl Amb24537614 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.43 O=C(Oc1ccccc1)C(=O)Cl Amb25207901 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.43 OB(O)\C(\F)=C\c1ccccc1 Amb25667549 [1,1,0,0,0,0|1,0,1]=4 1950 B12R1.43 OC(=O)C(=O)Cc1ccccn1 Amb17477815 [1,1,0,0,0,0|1,0,1]=4 1951 B12R1.43 OC(=O)C(=O)Cc1cccnc1 Amb17232515 [1,1,0,0,0,0|1,0,1]=4 1952 B12R1.43 OC(=O)C(=S)Cc1cccc[n]1 Amb25059246 [1,1,0,0,0,0|1,0,1]=4 1953 B12R1.43 OC(=O)C(=S)Nc1cc[n]cc1 Amb24368096 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.43 OC(=O)C(Br)Oc1ccccc1 Amb24406770 [1,1,0,0,0,0|1,0,1]=4 1955 B12R1.43 OC(=O)C(Cc1ccccc1)Br Amb16210937 [1,1,0,0,0,0|0,0,2]=4 1956 B12R1.43 OC(=O)C(Cl)Oc1ccccc1 Amb24635704 [1,1,0,0,0,0|1,0,1]=4 1957 B12R1.43 OC(=O)C(F)=Cc1ccccc1 Amb24093652 [1,1,0,0,0,0|0,0,0]=2 1958 B12R1.43 OC(=O)C(F)Oc1ccccc1 Amb24433426 [1,1,0,0,0,0|1,0,1]=4 1959 B12R1.43 OC(=O)C(F)Sc1ccccc1 Amb24350687 [1,1,0,0,0,0|1,0,1]=4 1960 B12R1.43 OC(=O)C(O)Sc1ccccc1 Amb24748903 [1,1,0,0,0,0|1,0,1]=4 1961 B12R1.43 OC(=O)C(S)Cc1ccccc1 Amb18289035 [1,1,0,0,0,0|0,0,2]=4 1962 B12R1.43 OC(=O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [1,1,0,0,0,0|0,0,2]=4 1963 B12R1.43 OC(=O)[C@@H](S)Cc1ccccc1 Amb25124079 [1,1,0,0,0,0|0,0,2]=4 1964 B12R1.43 OC(=O)[C@H](Cl)Cc1ccccc1 Amb22225171 [1,1,0,0,0,0|0,0,2]=4 1965 B12R1.43 OC(=O)[C@H](F)Cc1ccccc1 Amb25061394 [1,1,0,0,0,0|0,0,2]=4 1966 B12R1.43 OC(=O)\C(=C\c1ccccn1)\S Amb1761004 [1,1,0,0,0,0|1,0,0]=3 1967 B12R1.43 OC(=O)\C(=C\c1cccnc1)\F Amb17614474 [1,1,0,0,0,0|1,0,0]=3 1968 B12R1.43 OC(=O)\C(=C\c1cccnc1)\S Amb1761005 [1,1,0,0,0,0|1,0,0]=3 1969 B12R1.43 OC(=O)\C(\Cl)=C/c1ccccc1 Amb18648695 [1,1,0,0,0,0|0,0,0]=2 1970 B12R1.43 OC(=O)\C(\Cl)=C\c1ccccc1 Amb19651416 [1,1,0,0,0,0|0,0,0]=2 1971 B12R1.43 OC(=O)\C(\F)=C\c1cc[n]cc1 Amb24377793 [1,1,0,0,0,0|1,0,0]=3 1972 B12R1.43 O\C(=C/c1ccccc1)\C(O)=O Amb18645966 [1,1,0,0,0,0|0,0,0]=2 1973 B12R1.43 S=C(C(=O)O)Nc1ccccc1 Amb10558556 [1,1,0,0,0,0|1,0,0]=3 1974 B12R1.43 S\C(=C/c1ccccc1)\C(=O)O Amb1250109 [1,1,0,0,0,0|0,0,0]=2 1975 B12R1.43 S\C(=C/c1ccncc1)\C(=O)O Amb1761003 [1,1,0,0,0,0|1,0,0]=3 1976 B12R1.43 S\C(=C\c1ccccc1)\C(=O)O Amb2550972 [1,1,0,0,0,0|0,0,0]=2 1977 B12R1.43 [15NH2]C(Cc1ccccc1)C(O)=O Amb22338047 [1,1,0,0,0,0|0,0,2]=4 1978 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 Amb19884048 [1,1,0,0,0,0|0,0,2]=4 1979 B12R1.43 [O-][N+](=O)\C(\Br)=C\c1ccccc1 Amb22476019 [1,1,0,0,0,0|1,0,1]=4 1980 B12R1.107 Br\C(=C/C(=O)O)\c1ccccc1 Amb10069265 [1,1,0,0,0,0|0,0,0]=2 1981 B12R1.107 C=C(CC(N)=O)c1ccccc1 Amb25798918 [1,1,0,0,0,0|1,0,1]=4 1982 B12R1.107 C=C(CC(O)=O)c1ccccc1 Amb18645643 [1,1,0,0,0,0|0,0,1]=3 1983 B12R1.107 C=C(NC(N)=O)c1ccccc1 Amb25258325 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.107 CC(=C)CC(=O)c1ccccc1 Amb18563490 [1,1,0,0,0,0|1,0,1]=4 1985 B12R1.107 CC(=C)NC(=O)c1ccccc1 Amb24096681 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.107 CC(=O)NC(=O)c1c[n]ccc1 Amb25756189 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.107 CC(=O)NC(=O)c1cccc[n]1 Amb25040960 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.107 CC(=O)NC(=O)c1ccccc1 Amb24073560 [1,1,0,0,0,0|1,0,0]=3 1989 B12R1.107 CC(=O)NC(=S)c1ccccc1 Amb24073591 [1,1,0,0,0,0|1,0,0]=3 1990 B12R1.107 CC(=O)OC(=C)c1ccccc1 Amb22730633 [1,1,0,0,0,0|1,0,0]=3 1991 B12R1.107 CC(=O)OC(=O)c1ccccc1 Amb17678790 [1,1,0,0,0,0|1,0,0]=3 1992 B12R1.107 CC(=O)O[C@@H](C)c1ccccc1 Amb25144207 [1,1,0,0,0,0|1,0,1]=4 1993 B12R1.107 CC(=O)O[C@H](C)c1ccccc1 Amb25160190 [1,1,0,0,0,0|1,0,1]=4 1994 B12R1.107 CC(=O)\C=C(/N)\c1[n]ccc[n]1 Amb25773330 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.107 CC(=O)\C=C(/O)\c1cccc[n]1 Amb24309430 [1,1,0,0,0,0|1,0,0]=3 1996 B12R1.107 CC(=O)\C=C(/S)\c1ccccc1 Amb25730212 [1,1,0,0,0,0|0,0,0]=2 1997 B12R1.107 CC(=O)\C=C(\N)/c1[n]ccc[n]1 Amb25150917 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.107 CC(=O)\C=C(\N)/c1cc[n]cc1 Amb25059228 [1,1,0,0,0,0|1,0,0]=3 1999 B12R1.107 CC(=O)\C=C(\N)/c1ccccc1 Amb25309296 [1,1,0,0,0,0|0,0,0]=2 2000 B12R1.107 CC(=O)\C=C(\O)/c1c[n][n]cc1 Amb25179545 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.107 CC(=O)\N=C(\N)/c1ccccc1 Amb25150972 [1,1,0,0,0,0|1,0,0]=3 2002 B12R1.107 CC(=S)NC(=O)c1ccccc1 Amb24640397 [1,1,0,0,0,0|1,1,0]=4 2003 B12R1.107 CC(C)=CC(=O)c1cc[n]cc1 Amb24573701 [1,1,0,0,0,0|2,0,0]=4 2004 B12R1.107 CC(C)=CC(N)c1ccccc1 Amb24355884 [1,1,0,0,0,0|1,0,1]=4 2005 B12R1.107 CC(C)=NC(=O)c1ccccc1 Amb24096687 [1,1,0,0,0,0|2,0,0]=4 2006 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22446280 [1,1,0,0,0,0|0,0,1]=3 2007 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22446311 [1,1,0,0,0,0|0,0,1]=3 2008 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22474103 [1,1,0,0,0,0|0,0,1]=3 2009 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22474104 [1,1,0,0,0,0|0,0,1]=3 2010 B12R1.107 CC(c1ccccc1)CC(=O)O Amb1207393 [1,1,0,0,0,0|0,0,2]=4 2011 B12R1.107 CN(C)\C=C(/O)\c1ccccc1 Amb24068870 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.107 CN(c1ccccc1)CC(=O)O Amb10610413 [1,1,0,0,0,0|1,0,1]=4 2013 B12R1.107 CP(CC(O)=O)c1ccccc1 Amb25108110 [1,1,0,0,0,0|1,0,1]=4 2014 B12R1.107 CS(=O)CC(=O)c1ccccc1 Amb24741512 [1,1,0,0,0,0|1,0,1]=4 2015 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O Amb10844340 [1,1,0,0,0,0|0,0,2]=4 2016 B12R1.107 C[C@H](c1ccccc1)CC(=O)O Amb10844379 [1,1,0,0,0,0|0,0,2]=4 2017 B12R1.107 C\C(=C/C(=O)Cl)\c1ccccc1 Amb25195673 [1,1,0,0,0,0|1,0,0]=3 2018 B12R1.107 C\C(=C/C(=O)c1ccccn1)\N Amb10242646 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.107 C\C(=C/C(N)=O)\c1ccccc1 Amb24648875 [1,1,0,0,0,0|1,0,0]=3 2020 B12R1.107 C\C(=C/[N+]([O-])=O)\c1ccccc1 Amb21858900 [1,1,0,0,0,0|1,0,1]=4 2021 B12R1.107 C\C(=C\C(=O)Cl)\c1ccccc1 Amb25220154 [1,1,0,0,0,0|1,0,0]=3 2022 B12R1.107 C\C(=C\C(C)=O)\c1c[n]ccc1 Amb25308395 [1,1,0,0,0,0|1,0,0]=3 2023 B12R1.107 C\C(=C\C(C)=O)\c1cc[n]cc1 Amb25783222 [1,1,0,0,0,0|1,0,0]=3 2024 B12R1.107 C\C(=C\C(C)=O)\c1ccccc1 Amb24367599 [1,1,0,0,0,0|0,0,0]=2 2025 B12R1.107 C\C(=C\C(C)O)\c1ccccc1 Amb25823380 [1,1,0,0,0,0|0,0,2]=4 2026 B12R1.107 C\C(=C\C(N)=O)\c1ccc[n]c1 Amb25296908 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.107 C\C(=C\C(O)=O)\c1cc[n]cc1 Amb20626499 [1,1,0,0,0,0|1,0,0]=3 2028 B12R1.107 C\C(=C\C(O)=O)\c1ccc[n]c1 Amb20626498 [1,1,0,0,0,0|1,0,0]=3 2029 B12R1.107 C\C(=C\C(O)=O)\c1cccc[n]1 Amb24393080 [1,1,0,0,0,0|1,0,0]=3 2030 B12R1.107 C\C(=C\C(O)=O)\c1ccccc1 Amb24271190 [1,1,0,0,0,0|0,0,0]=2 2031 B12R1.107 C\C(=C\N(C)C)\c1ccccc1 Amb25711045 [1,1,0,0,0,0|2,0,0]=4 2032 B12R1.107 C\C(=C\[N+]([O-])=O)\c1ccccc1 Amb25338387 [1,1,0,0,0,0|1,0,1]=4 2033 B12R1.107 C\C(\Cl)=C\C(Cl)c1ccccc1 Amb25277290 [1,1,0,0,0,0|1,0,1]=4 2034 B12R1.107 C\C(\Cl)=C\C(O)c1ccccc1 Amb25681436 [1,1,0,0,0,0|1,0,1]=4 2035 B12R1.107 C\C(\F)=C/C(=O)c1ccccc1 Amb24497135 [1,1,0,0,0,0|1,0,0]=3 2036 B12R1.107 C\C(\F)=C\C(=O)c1ccccc1 Amb24631194 [1,1,0,0,0,0|1,0,0]=3 2037 B12R1.107 C\C(\N)=C\C(=O)c1cccc[n]1 Amb25319980 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.107 C\C(\N)=C\C(=S)c1ccccc1 Amb25264968 [1,1,0,0,0,0|1,0,0]=3 2039 B12R1.107 C\C(\N)=N\C(=S)c1ccccc1 Amb25669598 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22043283 [1,1,0,0,0,0|0,0,1]=3 2041 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22729931 [1,1,0,0,0,0|0,0,1]=3 2042 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22729983 [1,1,0,0,0,0|0,0,1]=3 2043 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22733686 [1,1,0,0,0,0|0,0,1]=3 2044 B12R1.107 C\C(\[O-])=C\C(=O)c1ccccc1 Amb22729984 [1,1,0,0,0,0|0,0,1]=3 2045 B12R1.107 Cl\C(=C/C(=O)O)\c1ccccc1 Amb17594707 [1,1,0,0,0,0|0,0,0]=2 2046 B12R1.107 NC(=CC(N)=S)c1ccccc1 Amb19374001 [1,1,0,0,0,0|1,1,0]=4 2047 B12R1.107 NC(=N)\C=C(\O)/c1ccccc1 Amb25327780 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.107 NC(=O)NC(=N)c1ccccc1 Amb25337571 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.107 NC(=O)NC(=S)c1ccccc1 Amb24532795 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.107 NC(=O)\C=C(\O)/c1cccc[n]1 Amb25150829 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.107 NC(=O)\C=C(\O)/c1ccccc1 Amb24580412 [1,1,0,0,0,0|1,0,0]=3 2052 B12R1.107 NC(=S)\C=C(/S)\c1ccccc1 Amb24637728 [1,1,0,0,0,0|1,1,0]=4 2053 B12R1.107 NC(=S)\C=C(\S)/c1ccccc1 Amb25223139 [1,1,0,0,0,0|1,1,0]=4 2054 B12R1.107 NC(N)=CC(=O)c1ccccc1 Amb25108111 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.107 NC(c1ccccc1)CC(=O)O Amb1048120 [1,1,0,0,0,0|0,0,2]=4 2056 B12R1.107 NN(CC(O)=O)c1ccccc1 Amb22757137 [1,1,0,0,0,0|1,0,1]=4 2057 B12R1.107 N\C(=C/C(O)=O)\c1ccccc1 Amb22054873 [1,1,0,0,0,0|0,0,0]=2 2058 B12R1.107 N\C(=C\C(N)=S)\c1ccccc1 Amb22225089 [1,1,0,0,0,0|1,1,0]=4 2059 B12R1.107 N\C(=C\C(O)=O)\c1cccc[n]1 Amb24426187 [1,1,0,0,0,0|1,0,0]=3 2060 B12R1.107 N\C(=C\C(O)=O)\c1ccccc1 Amb25274098 [1,1,0,0,0,0|0,0,0]=2 2061 B12R1.107 O=C(CC(=O)[Na])c1ccccc1 Amb24364157 [1,1,0,0,0,0|1,0,1]=4 2062 B12R1.107 O=C(c1ccccc1)C=C(C)C Amb10874044 [1,1,0,0,0,0|1,0,0]=3 2063 B12R1.107 O=C(c1ccccc1)CC(=O)O Amb10576353 [1,1,0,0,0,0|0,0,1]=3 2064 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C Amb2386640 [1,1,0,0,0,0|1,0,0]=3 2065 B12R1.107 O=C(c1ccccc1)\N=C(/N)\C Amb10553700 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.107 OB(O)\C=C(\Br)/c1ccccc1 Amb24690203 [1,1,0,0,0,0|1,0,1]=4 2067 B12R1.107 OC(=O)CC(Cl)c1ccccc1 Amb18120400 [1,1,0,0,0,0|0,0,2]=4 2068 B12R1.107 OC(=O)CC(F)c1ccccc1 Amb24554792 [1,1,0,0,0,0|0,0,2]=4 2069 B12R1.107 OC(=O)CC(S)c1ccccc1 Amb18303085 [1,1,0,0,0,0|0,0,2]=4 2070 B12R1.107 OC(=O)CS(=O)c1ccccc1 Amb18290924 [1,1,0,0,0,0|1,0,1]=4 2071 B12R1.107 OC(=O)\C=C(\F)/c1ccccc1 Amb24426178 [1,1,0,0,0,0|0,0,0]=2 2072 B12R1.107 [O-]C(=O)CC(=O)c1ccccc1 Amb22491482 [1,1,0,0,0,0|0,0,2]=4 2073 B12R1.107 [O-]C(=O)CC(=O)c1ccccc1 Amb23401058 [1,1,0,0,0,0|0,0,2]=4 2074 B12R1.107 [OH2+]\C(=C/C(=O)C)\c1ccccc1 Amb1395651 [1,1,0,0,0,0|0,0,0]=2 2075 B12R1.107 [OH2+]\C(=C/C(=O)C)\c1ccccc1 Amb2563772 [1,1,0,0,0,0|0,0,0]=2 2076 B12R1.125 CC(=O)C#Cc1ccccc1F Amb25767750 [1,1,0,0,0,0|0,0,2]=4 2077 B12R1.125 CC(=O)C=Cc1ccccc1O Amb24065680 [1,1,0,0,0,0|0,0,0]=2 2078 B12R1.125 CC(=O)CCc1ccccc1O Amb17507153 [1,1,0,0,0,0|0,0,2]=4 2079 B12R1.125 CC(=O)CNc1ccccc1Cl Amb24552973 [1,1,0,0,0,0|1,0,1]=4 2080 B12R1.125 CC(=O)COc1ccccc1Br Amb17226707 [1,1,0,0,0,0|1,0,1]=4 2081 B12R1.125 CC(=O)COc1ccccc1Cl Amb19075143 [1,1,0,0,0,0|1,0,1]=4 2082 B12R1.125 CC(=O)COc1ccccc1I Amb25692816 [1,1,0,0,0,0|1,0,1]=4 2083 B12R1.125 CC(=O)COc1ccccc1N Amb17110085 [1,1,0,0,0,0|1,0,1]=4 2084 B12R1.125 CC(=O)COc1ccccc1O Amb18646466 [1,1,0,0,0,0|1,0,1]=4 2085 B12R1.125 CC(=O)CSc1ccccc1N Amb17305639 [1,1,0,0,0,0|1,0,1]=4 2086 B12R1.125 CC(=O)NCc1ccccc1Br Amb2134482 [1,1,0,0,0,0|1,0,1]=4 2087 B12R1.125 CC(=O)NCc1ccccc1F Amb2020110 [1,1,0,0,0,0|1,0,1]=4 2088 B12R1.125 CC(=O)NCc1ccccc1N Amb18284299 [1,1,0,0,0,0|1,0,1]=4 2089 B12R1.125 CC(=O)NCc1ccccc1O Amb18646279 [1,1,0,0,0,0|1,0,1]=4 2090 B12R1.125 CC(=O)NNc1ccccc1N Amb18646313 [1,1,0,0,0,0|2,0,0]=4 2091 B12R1.125 CC(=O)OCc1ccccc1C Amb17778968 [1,1,0,0,0,0|1,0,1]=4 2092 B12R1.125 CC(=O)OCc1ccccc1F Amb25788639 [1,1,0,0,0,0|1,0,1]=4 2093 B12R1.125 CC(=O)OCc1ccccc1O Amb18646465 [1,1,0,0,0,0|1,0,1]=4 2094 B12R1.125 CC(=O)SCc1ccccc1F Amb22231630 [1,1,0,0,0,0|1,0,1]=4 2095 B12R1.125 CC(=O)\C=C\C1=CC=CNC1=O Amb25780424 [1,1,0,0,0,0|1,0,0]=3 2096 B12R1.125 CC(=O)\C=C\c1[n]cccc1O Amb25291018 [1,1,0,0,0,0|1,0,0]=3 2097 B12R1.125 CC(=O)\C=C\c1ccccc1Br Amb18068027 [1,1,0,0,0,0|0,0,0]=2 2098 B12R1.125 CC(=O)\C=C\c1ccccc1C Amb17477498 [1,1,0,0,0,0|0,0,0]=2 2099 B12R1.125 CC(=O)\C=C\c1ccccc1F Amb18563599 [1,1,0,0,0,0|0,0,0]=2 2100 B12R1.125 CC(=O)\C=C\c1ccccc1O Amb1266216 [1,1,0,0,0,0|0,0,0]=2 2101 B12R1.125 CC(=O)\N=C\c1ccccc1Cl Amb24072988 [1,1,0,0,0,0|1,0,0]=3 2102 B12R1.125 CC(Br)\C=C\c1ccccc1Br Amb25317864 [1,1,0,0,0,0|1,0,1]=4 2103 B12R1.125 CC(Br)\C=C\c1ccccc1Cl Amb24525845 [1,1,0,0,0,0|1,0,1]=4 2104 B12R1.125 CC(C)=CCc1ccccc1N Amb18645540 [1,1,0,0,0,0|1,0,1]=4 2105 B12R1.125 CC(C)=CCc1ccccc1O Amb24357144 [1,1,0,0,0,0|1,0,1]=4 2106 B12R1.125 CC(C)=C\C=C/1\C=CC=CC1=O Amb25674179 [1,1,0,0,0,0|1,0,0]=3 2107 B12R1.125 CC(C)\C=C\c1ccccc1O Amb18645700 [1,1,0,0,0,0|1,0,1]=4 2108 B12R1.125 CC(Cl)\C=C\c1ccccc1F Amb25323308 [1,1,0,0,0,0|1,0,1]=4 2109 B12R1.125 CC(N)\C=C\c1ccccc1Br Amb25735538 [1,1,0,0,0,0|1,0,1]=4 2110 B12R1.125 CC(N)\C=C\c1ccccc1Cl Amb24589046 [1,1,0,0,0,0|1,0,1]=4 2111 B12R1.125 CC(N)\C=C\c1ccccc1F Amb24450172 [1,1,0,0,0,0|1,0,1]=4 2112 B12R1.125 CC(N)\C=C\c1ccccc1O Amb25159673 [1,1,0,0,0,0|1,0,1]=4 2113 B12R1.125 CC(O)\C=C\c1ccccc1Br Amb25086864 [1,1,0,0,0,0|0,0,2]=4 2114 B12R1.125 CS(=O)\C=C\c1ccccc1N Amb18128933 [1,1,0,0,0,0|1,0,0]=3 2115 B12R1.125 CS(=O)\N=C\c1ccccc1O Amb25302229 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.125 C[C@H](N)\C=C\c1ccccc1Cl Amb25787277 [1,1,0,0,0,0|1,0,1]=4 2117 B12R1.125 C\C(\Cl)=C\Cc1ccccc1O Amb24614705 [1,1,0,0,0,0|1,0,1]=4 2118 B12R1.125 Cc1[n]cccc1\C=C\C(O)=O Amb18522806 [1,1,0,0,0,0|1,0,0]=3 2119 B12R1.125 Cc1c[n]ccc1\C=C/C(N)=O Amb24761320 [1,1,0,0,0,0|2,0,0]=4 2120 B12R1.125 Cc1c[n]ccc1\C=C\C(C)=O Amb24551288 [1,1,0,0,0,0|1,0,0]=3 2121 B12R1.125 Cc1c[n]ccc1\C=C\C(N)=O Amb24595511 [1,1,0,0,0,0|2,0,0]=4 2122 B12R1.125 Cc1c[n]ccc1\C=C\C(O)=O Amb25148916 [1,1,0,0,0,0|1,0,0]=3 2123 B12R1.125 Cc1cc[n]cc1\C=C\C(C)=O Amb24392396 [1,1,0,0,0,0|1,0,0]=3 2124 B12R1.125 Cc1cc[n]cc1\C=C\C(N)=O Amb24422127 [1,1,0,0,0,0|2,0,0]=4 2125 B12R1.125 Cc1cc[n]cc1\C=C\C(O)=O Amb25210821 [1,1,0,0,0,0|1,0,0]=3 2126 B12R1.125 Cc1ccccc1C#CC(C)=O Amb23438225 [1,1,0,0,0,0|0,0,2]=4 2127 B12R1.125 Cc1ccccc1C#CC(O)=O Amb20673097 [1,1,0,0,0,0|0,0,2]=4 2128 B12R1.125 Cc1ccccc1CNC(C)=O Amb24721874 [1,1,0,0,0,0|1,0,1]=4 2129 B12R1.125 Cc1ccccc1CSC(C)=O Amb22231631 [1,1,0,0,0,0|1,0,1]=4 2130 B12R1.125 Cc1ccccc1NCC(C)=O Amb25062983 [1,1,0,0,0,0|1,0,1]=4 2131 B12R1.125 Cc1ccccc1SCC(C)=O Amb18796318 [1,1,0,0,0,0|1,0,1]=4 2132 B12R1.125 Cc1ccccc1\C=C/[N+]([O-])=O Amb24537629 [1,1,0,0,0,0|1,0,1]=4 2133 B12R1.125 Cc1ccccc1\C=C\B(O)O Amb22011802 [1,1,0,0,0,0|1,0,1]=4 2134 B12R1.125 Cc1ccccc1\C=C\C(C)Br Amb24551092 [1,1,0,0,0,0|1,0,1]=4 2135 B12R1.125 Cc1ccccc1\C=C\C(N)=N Amb25305607 [1,1,0,0,0,0|2,0,0]=4 2136 B12R1.125 Cc1ccncc1C=CC(O)=O Amb17844101 [1,1,0,0,0,0|1,0,0]=3 2137 B12R1.125 ClC(=O)\C=C/c1ccccc1Cl Amb10070071 [1,1,0,0,0,0|1,0,0]=3 2138 B12R1.125 ClC(=O)\C=C\c1ccccc1Br Amb16230254 [1,1,0,0,0,0|1,0,0]=3 2139 B12R1.125 N=C1C=CC=CN1\C=C\C(O)=O Amb25310995 [1,1,0,0,0,0|1,0,0]=3 2140 B12R1.125 NC(=N)\C=C\c1ccccc1Cl Amb24573032 [1,1,0,0,0,0|2,0,0]=4 2141 B12R1.125 NC(=N)\C=C\c1ccccc1F Amb25751618 [1,1,0,0,0,0|2,0,0]=4 2142 B12R1.125 NC(=O)\C=C/c1cc[n]cc1Cl Amb25148590 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.125 NC(=O)\C=C/c1cc[n]cc1F Amb25135827 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.125 NC(=O)\C=C\c1cc[n]cc1Br Amb24574659 [1,1,0,0,0,0|2,0,0]=4 2145 B12R1.125 NC(=O)\C=C\c1cc[n]cc1Cl Amb24563483 [1,1,0,0,0,0|2,0,0]=4 2146 B12R1.125 NC(=O)\C=C\c1cc[n]cc1F Amb25322379 [1,1,0,0,0,0|2,0,0]=4 2147 B12R1.125 NC(=O)\C=C\c1ccc[n]c1Cl Amb24670214 [1,1,0,0,0,0|2,0,0]=4 2148 B12R1.125 NC(=O)\C=C\c1ccc[n]c1F Amb24558302 [1,1,0,0,0,0|2,0,0]=4 2149 B12R1.125 NC(=O)\C=C\c1ccccc1O Amb18645808 [1,1,0,0,0,0|1,0,0]=3 2150 B12R1.125 Nc1[n]cccc1\C=C\C(N)=O Amb24376277 [1,1,0,0,0,0|2,0,0]=4 2151 B12R1.125 Nc1cc[n]cc1\C=C/C(N)=O Amb25757422 [1,1,0,0,0,0|2,0,0]=4 2152 B12R1.125 Nc1cc[n]cc1\C=C\C(O)=O Amb22044028 [1,1,0,0,0,0|1,0,0]=3 2153 B12R1.125 Nc1ccc[n]c1\C=C\C(N)=O Amb25836763 [1,1,0,0,0,0|2,0,0]=4 2154 B12R1.125 Nc1ccc[n]c1\C=C\C(O)=O Amb25725011 [1,1,0,0,0,0|1,0,0]=3 2155 B12R1.125 Nc1ccccc1/C=C/C(O)=O Amb17777291 [1,1,0,0,0,0|0,0,0]=2 2156 B12R1.125 Nc1ccccc1C#CC(O)=O Amb24355867 [1,1,0,0,0,0|0,0,2]=4 2157 B12R1.125 Nc1ccccc1CCC(O)=O Amb24118035 [1,1,0,0,0,0|0,0,2]=4 2158 B12R1.125 Nc1ccccc1NCC(O)=O Amb18296519 [1,1,0,0,0,0|1,0,1]=4 2159 B12R1.125 Nc1ccccc1\C=C/C(N)=O Amb25149881 [1,1,0,0,0,0|1,0,0]=3 2160 B12R1.125 O=C(Cl)C=Cc1ccccc1F Amb24090144 [1,1,0,0,0,0|1,0,0]=3 2161 B12R1.125 OB(O)\C=C\c1ccccc1Br Amb25364964 [1,1,0,0,0,0|1,0,1]=4 2162 B12R1.125 OB(O)\C=C\c1ccccc1Cl Amb25788046 [1,1,0,0,0,0|1,0,1]=4 2163 B12R1.125 OB(O)\C=C\c1ccccc1F Amb25709562 [1,1,0,0,0,0|1,0,1]=4 2164 B12R1.125 OC(=O)C#Cc1ccccc1Br Amb25266206 [1,1,0,0,0,0|0,0,2]=4 2165 B12R1.125 OC(=O)CCc1ccccc1Cl Amb1209214 [1,1,0,0,0,0|0,0,2]=4 2166 B12R1.125 OC(=O)CCc1ccccc1I Amb10071543 [1,1,0,0,0,0|0,0,2]=4 2167 B12R1.125 OC(=O)CCc1ccccc1N Amb17477727 [1,1,0,0,0,0|0,0,2]=4 2168 B12R1.125 OC(=O)CCc1ccccc1O Amb1211927 [1,1,0,0,0,0|0,0,2]=4 2169 B12R1.125 OC(=O)CCc1ccccc1S Amb18648646 [1,1,0,0,0,0|0,0,2]=4 2170 B12R1.125 OC(=O)CNc1ccccc1C Amb1258286 [1,1,0,0,0,0|1,0,1]=4 2171 B12R1.125 OC(=O)CNc1ccccc1S Amb25124141 [1,1,0,0,0,0|1,0,1]=4 2172 B12R1.125 OC(=O)COc1ccccc1C Amb1215022 [1,1,0,0,0,0|1,0,1]=4 2173 B12R1.125 OC(=O)COc1ccccc1O Amb1030005 [1,1,0,0,0,0|1,0,1]=4 2174 B12R1.125 OC(=O)CSc1ccccc1Br Amb1113386 [1,1,0,0,0,0|1,0,1]=4 2175 B12R1.125 OC(=O)CSc1ccccc1C Amb1205492 [1,1,0,0,0,0|1,0,1]=4 2176 B12R1.125 OC(=O)CSc1ccccc1Cl Amb1105912 [1,1,0,0,0,0|1,0,1]=4 2177 B12R1.125 OC(=O)CSc1ccccc1F Amb1105913 [1,1,0,0,0,0|1,0,1]=4 2178 B12R1.125 OC(=O)\C=C/C1=CN=CNC1=O Amb25241227 [1,1,0,0,0,0|2,0,0]=4 2179 B12R1.125 OC(=O)\C=C/c1ccccc1Cl Amb10070070 [1,1,0,0,0,0|0,0,0]=2 2180 B12R1.125 OC(=O)\C=C\C1=CC=CNC1=O Amb18263181 [1,1,0,0,0,0|1,0,0]=3 2181 B12R1.125 OC(=O)\C=C\C1=CN=CNC1=O Amb18646423 [1,1,0,0,0,0|2,0,0]=4 2182 B12R1.125 OC(=O)\C=C\c1cc[n]cc1Br Amb18659757 [1,1,0,0,0,0|1,0,0]=3 2183 B12R1.125 OC(=O)\C=C\c1cc[n]cc1Cl Amb23590832 [1,1,0,0,0,0|1,0,0]=3 2184 B12R1.125 OC(=O)\C=C\c1cccc[n+]1[O-] Amb10552947 [1,1,0,0,0,0|1,0,0]=3 2185 B12R1.125 OC(=O)\C=C\c1ccccc1I Amb22584152 [1,1,0,0,0,0|0,0,0]=2 2186 B12R1.125 OC(=O)\C=C\c1ccccc1O Amb1935207 [1,1,0,0,0,0|0,0,0]=2 2187 B12R1.125 OC(=O)\C=C\c1ccccc1S Amb18128711 [1,1,0,0,0,0|0,0,0]=2 2188 B12R1.125 Oc1cc[n]cc1\C=C\C(O)=O Amb18646198 [1,1,0,0,0,0|1,0,0]=3 2189 B12R1.125 Oc1ccccc1SCC(O)=O Amb18294823 [1,1,0,0,0,0|1,0,1]=4 2190 B12R1.125 [O-][N+](=O)\C=C/c1ccccc1F Amb10839832 [1,1,0,0,0,0|1,0,1]=4 2191 B12R1.125 [O-][N+](=O)\C=C\c1ccccc1I Amb15772315 [1,1,0,0,0,0|1,0,1]=4 2192 B12R1.226 CC(=O)C=Cc1cccc(O)c1 Amb24094413 [1,1,0,0,0,0|0,0,0]=2 2193 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl Amb10808067 [1,1,0,0,0,0|0,0,0]=2 2194 B12R1.226 CC(=O)CCc1cccc(O)c1 Amb18646057 [1,1,0,0,0,0|0,0,2]=4 2195 B12R1.226 CC(=O)CNc1cccc(Cl)c1 Amb24626052 [1,1,0,0,0,0|1,0,1]=4 2196 B12R1.226 CC(=O)COc1cccc(Cl)c1 Amb19075144 [1,1,0,0,0,0|1,0,1]=4 2197 B12R1.226 CC(=O)COc1cccc(O)c1 Amb25053053 [1,1,0,0,0,0|1,0,1]=4 2198 B12R1.226 CC(=O)COc1cccc(c1)Br Amb17226706 [1,1,0,0,0,0|1,0,1]=4 2199 B12R1.226 CC(=O)COc1cccc(c1)N Amb17110084 [1,1,0,0,0,0|1,0,1]=4 2200 B12R1.226 CC(=O)CSc1cccc(Br)c1 Amb24612317 [1,1,0,0,0,0|1,0,1]=4 2201 B12R1.226 CC(=O)CSc1cccc(Cl)c1 Amb18331367 [1,1,0,0,0,0|1,0,1]=4 2202 B12R1.226 CC(=O)NCc1cccc(I)c1 Amb25148829 [1,1,0,0,0,0|1,0,1]=4 2203 B12R1.226 CC(=O)NCc1cccc(N)c1 Amb18286659 [1,1,0,0,0,0|1,0,1]=4 2204 B12R1.226 CC(=O)NCc1cccc(O)c1 Amb18792630 [1,1,0,0,0,0|1,0,1]=4 2205 B12R1.226 CC(=O)NCc1cccc(c1)Br Amb2085743 [1,1,0,0,0,0|1,0,1]=4 2206 B12R1.226 CC(=O)NCc1cccc(c1)Cl Amb2023612 [1,1,0,0,0,0|1,0,1]=4 2207 B12R1.226 CC(=O)NNc1cc(F)ccc1 Amb25036298 [1,1,0,0,0,0|2,0,0]=4 2208 B12R1.226 CC(=O)OCc1cccc(Br)c1 Amb25099120 [1,1,0,0,0,0|1,0,1]=4 2209 B12R1.226 CC(=O)OCc1cccc(Cl)c1 Amb25306228 [1,1,0,0,0,0|1,0,1]=4 2210 B12R1.226 CC(=O)OCc1cccc(F)c1 Amb25145061 [1,1,0,0,0,0|1,0,1]=4 2211 B12R1.226 CC(=O)OCc1cccc(N)c1 Amb22229178 [1,1,0,0,0,0|1,0,1]=4 2212 B12R1.226 CC(=O)OCc1cccc(c1)C Amb10601899 [1,1,0,0,0,0|1,0,1]=4 2213 B12R1.226 CC(=O)SCc1cccc(Cl)c1 Amb22231632 [1,1,0,0,0,0|1,0,1]=4 2214 B12R1.226 CC(=O)SCc1cccc(F)c1 Amb22231633 [1,1,0,0,0,0|1,0,1]=4 2215 B12R1.226 CC(=O)\C=C\[n+]1cccc(c1)O Amb10553687 [1,1,0,0,0,0|1,0,0]=3 2216 B12R1.226 CC(=O)\C=C\c1cccc(Br)[n]1 Amb25233145 [1,1,0,0,0,0|1,0,0]=3 2217 B12R1.226 CC(=O)\C=C\c1cccc(F)c1 Amb18563600 [1,1,0,0,0,0|0,0,0]=2 2218 B12R1.226 CC(=O)\C=C\c1cccc(N)c1 Amb23247751 [1,1,0,0,0,0|0,0,0]=2 2219 B12R1.226 CC(=O)\C=C\c1cccc(c1)Br Amb10601440 [1,1,0,0,0,0|0,0,0]=2 2220 B12R1.226 CC(=O)\C=C\c1cccc(c1)C Amb17477497 [1,1,0,0,0,0|0,0,0]=2 2221 B12R1.226 CC(=O)\C=C\c1cccc(c1)O Amb17615740 [1,1,0,0,0,0|0,0,0]=2 2222 B12R1.226 CC(Br)\C=C\c1cc(Br)ccc1 Amb24525695 [1,1,0,0,0,0|1,0,1]=4 2223 B12R1.226 CC(Br)\C=C\c1cccc(I)c1 Amb25286015 [1,1,0,0,0,0|1,0,1]=4 2224 B12R1.226 CC(C)=CCc1cccc(O)c1 Amb24341888 [1,1,0,0,0,0|1,0,1]=4 2225 B12R1.226 CC(Cl)\C=C\c1cccc(Br)c1 Amb24720056 [1,1,0,0,0,0|1,0,1]=4 2226 B12R1.226 CC(Cl)\C=C\c1cccc(F)c1 Amb25065720 [1,1,0,0,0,0|1,0,1]=4 2227 B12R1.226 CC(Cl)\C=C\c1cccc(I)c1 Amb25768004 [1,1,0,0,0,0|1,0,1]=4 2228 B12R1.226 CC(N)\C=C\c1cccc(Br)c1 Amb25759836 [1,1,0,0,0,0|1,0,1]=4 2229 B12R1.226 CC(O)\C=C\c1cc(O)ccc1 Amb25065736 [1,1,0,0,0,0|0,0,2]=4 2230 B12R1.226 CC(O)\C=C\c1cccc(Br)c1 Amb25098989 [1,1,0,0,0,0|0,0,2]=4 2231 B12R1.226 CC(O)\C=C\c1cccc(Cl)c1 Amb24590748 [1,1,0,0,0,0|0,0,2]=4 2232 B12R1.226 CC(O)\C=C\c1cccc(F)c1 Amb25730368 [1,1,0,0,0,0|0,0,2]=4 2233 B12R1.226 Cc1[n]c(\C=C\C(O)=O)cc[n]1 Amb23592256 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.226 Cc1[n]c(cc[n]1)\C=C\C(C)=O Amb25708271 [1,1,0,0,0,0|2,0,0]=4 2235 B12R1.226 Cc1c[n]cc(\C=C\C(O)=O)[n]1 Amb24539383 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.226 Cc1cc(C=CC(O)=O)c[n]c1 Amb20668532 [1,1,0,0,0,0|1,0,0]=3 2237 B12R1.226 Cc1cc(\C=C/C(N)=O)[n]cc1 Amb25144673 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.226 Cc1cc(\C=C/C(N)=O)cc[n]1 Amb25703055 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.226 Cc1cc(\C=C\B(O)O)ccc1 Amb24487550 [1,1,0,0,0,0|1,0,1]=4 2240 B12R1.226 Cc1cc(\C=C\C(O)=O)[n]cc1 Amb23592143 [1,1,0,0,0,0|1,0,0]=3 2241 B12R1.226 Cc1cc(\C=C\C(O)=O)c[n]c1 Amb22059615 [1,1,0,0,0,0|1,0,0]=3 2242 B12R1.226 Cc1cc(\C=C\C(O)=O)cc[n]1 Amb23535924 [1,1,0,0,0,0|1,0,0]=3 2243 B12R1.226 Cc1cc(cc[n]1)\C=C\C(C)=O Amb24676762 [1,1,0,0,0,0|1,0,0]=3 2244 B12R1.226 Cc1cc(ccc1)C#CC(O)=O Amb20673071 [1,1,0,0,0,0|0,0,2]=4 2245 B12R1.226 Cc1cccc(\C=C\C(N)=O)[n]1 Amb25189622 [1,1,0,0,0,0|2,0,0]=4 2246 B12R1.226 Cc1cccc(c1)NCC(C)=O Amb25831083 [1,1,0,0,0,0|1,0,1]=4 2247 B12R1.226 Cc1cccc(c1)SCC(C)=O Amb18791171 [1,1,0,0,0,0|1,0,1]=4 2248 B12R1.226 Cc1cccc(c1)\C=C\C(C)N Amb25055229 [1,1,0,0,0,0|1,0,1]=4 2249 B12R1.226 Cc1cccc(c1)\C=C\C(C)O Amb25683937 [1,1,0,0,0,0|0,0,2]=4 2250 B12R1.226 Cc1cccc(c1)\C=C\[C@@H](C)O Amb24404792 [1,1,0,0,0,0|0,0,2]=4 2251 B12R1.226 Cc1cccc(c1)\C=C\[C@H](C)O Amb25725509 [1,1,0,0,0,0|0,0,2]=4 2252 B12R1.226 Cc1cccc(n1)\C=C\C(=O)O Amb10669513 [1,1,0,0,0,0|1,0,0]=3 2253 B12R1.226 ClC(=O)\C=C\c1cccc(c1)Br Amb17145216 [1,1,0,0,0,0|1,0,0]=3 2254 B12R1.226 ClC(=O)\C=C\c1cccc(c1)Cl Amb16230245 [1,1,0,0,0,0|1,0,0]=3 2255 B12R1.226 NC(=N)\C=C\c1cccc(Cl)c1 Amb24580393 [1,1,0,0,0,0|2,0,0]=4 2256 B12R1.226 NC(=N)\C=C\c1cccc(F)c1 Amb25377778 [1,1,0,0,0,0|2,0,0]=4 2257 B12R1.226 NC(=O)\C=C/c1cccc(Cl)c1 Amb24484173 [1,1,0,0,0,0|1,0,0]=3 2258 B12R1.226 NC(=O)\C=C/c1cccc(O)c1 Amb24744387 [1,1,0,0,0,0|1,0,0]=3 2259 B12R1.226 NC(=O)\C=C\c1cc[n]c(Br)c1 Amb24451667 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.226 NC(=O)\C=C\c1cccc(Br)[n]1 Amb24536280 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.226 NC(=O)\C=C\c1cccc(I)c1 Amb25338405 [1,1,0,0,0,0|1,0,0]=3 2262 B12R1.226 NC(=S)\C=C\c1cccc(F)c1 Amb25103719 [1,1,0,0,0,0|1,1,0]=4 2263 B12R1.226 NC(=S)\C=C\c1cccc(O)c1 Amb25260823 [1,1,0,0,0,0|1,1,0]=4 2264 B12R1.226 Nc1cc(\C=C\C(O)=O)cc[n]1 Amb25201755 [1,1,0,0,0,0|1,0,0]=3 2265 B12R1.226 Nc1cc(ccc1)C#CC(O)=O Amb24650985 [1,1,0,0,0,0|0,0,2]=4 2266 B12R1.226 Nc1cc(ccc1)NCC(O)=O Amb18987711 [1,1,0,0,0,0|1,0,1]=4 2267 B12R1.226 Nc1cc(ccc1)SCC(O)=O Amb25700944 [1,1,0,0,0,0|1,0,1]=4 2268 B12R1.226 Nc1cccc(\C=C\C(O)=O)[n]1 Amb24558794 [1,1,0,0,0,0|1,0,0]=3 2269 B12R1.226 Nc1cccc(c1)\C=C\C(N)=O Amb24626095 [1,1,0,0,0,0|1,0,0]=3 2270 B12R1.226 OB(O)\C=C\c1cccc(Br)c1 Amb25208384 [1,1,0,0,0,0|1,0,1]=4 2271 B12R1.226 OB(\C=C\c1cccc(c1)Cl)O Amb10603469 [1,1,0,0,0,0|1,0,1]=4 2272 B12R1.226 OC(=O)C#Cc1cc(Br)ccc1 Amb23504362 [1,1,0,0,0,0|0,0,2]=4 2273 B12R1.226 OC(=O)C#Cc1cc(Cl)ccc1 Amb20673086 [1,1,0,0,0,0|0,0,2]=4 2274 B12R1.226 OC(=O)C#Cc1cc(F)ccc1 Amb20673102 [1,1,0,0,0,0|0,0,2]=4 2275 B12R1.226 OC(=O)C=Cc1cc[n]c(Cl)c1 Amb20668239 [1,1,0,0,0,0|1,0,0]=3 2276 B12R1.226 OC(=O)CCc1cccc(c1)Br Amb1209216 [1,1,0,0,0,0|0,0,2]=4 2277 B12R1.226 OC(=O)CCc1cccc(c1)C Amb1106242 [1,1,0,0,0,0|0,0,2]=4 2278 B12R1.226 OC(=O)CCc1cccc(c1)Cl Amb1672952 [1,1,0,0,0,0|0,0,2]=4 2279 B12R1.226 OC(=O)CCc1cccc(c1)F Amb1091868 [1,1,0,0,0,0|0,0,2]=4 2280 B12R1.226 OC(=O)CCc1cccc(c1)I Amb16232982 [1,1,0,0,0,0|0,0,2]=4 2281 B12R1.226 OC(=O)CNc1cccc(F)c1 Amb19341704 [1,1,0,0,0,0|1,0,1]=4 2282 B12R1.226 OC(=O)CNc1cccc(c1)Cl Amb10609174 [1,1,0,0,0,0|1,0,1]=4 2283 B12R1.226 OC(=O)COc1cccc(c1)Cl Amb1211231 [1,1,0,0,0,0|1,0,1]=4 2284 B12R1.226 OC(=O)COc1cccc(c1)F Amb1102803 [1,1,0,0,0,0|1,0,1]=4 2285 B12R1.226 OC(=O)CSc1cccc(F)c1 Amb19887452 [1,1,0,0,0,0|1,0,1]=4 2286 B12R1.226 OC(=O)CSc1cccc(c1)Br Amb2372547 [1,1,0,0,0,0|1,0,1]=4 2287 B12R1.226 OC(=O)\C=C/c1cccc(c1)F Amb16185904 [1,1,0,0,0,0|0,0,0]=2 2288 B12R1.226 OC(=O)\C=C\C1=CC=CC(=O)N1 Amb25705720 [1,1,0,0,0,0|1,0,0]=3 2289 B12R1.226 OC(=O)\C=C\C1=CC=CC(=O)O1 Amb24425498 [1,1,0,0,0,0|1,0,0]=3 2290 B12R1.226 OC(=O)\C=C\[n+]1cccc(c1)C Amb1030018 [1,1,0,0,0,0|1,0,0]=3 2291 B12R1.226 OC(=O)\C=C\c1c[n]cc(Br)c1 Amb22491337 [1,1,0,0,0,0|1,0,0]=3 2292 B12R1.226 OC(=O)\C=C\c1c[n]cc(F)c1 Amb18283058 [1,1,0,0,0,0|1,0,0]=3 2293 B12R1.226 OC(=O)\C=C\c1cc[n]c(Br)c1 Amb19929893 [1,1,0,0,0,0|1,0,0]=3 2294 B12R1.226 OC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10552948 [1,1,0,0,0,0|1,0,0]=3 2295 B12R1.226 OC(=O)\C=C\c1cccc(Br)[n]1 Amb25674136 [1,1,0,0,0,0|1,0,0]=3 2296 B12R1.226 OC(=O)\C=C\c1cccc(Cl)[n]1 Amb25060200 [1,1,0,0,0,0|1,0,0]=3 2297 B12R1.226 OC(=O)\C=C\c1cccc(F)[n]1 Amb24702245 [1,1,0,0,0,0|1,0,0]=3 2298 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br Amb1207365 [1,1,0,0,0,0|0,0,0]=2 2299 B12R1.226 OC(=O)\C=C\c1cccc(c1)C Amb1212079 [1,1,0,0,0,0|0,0,0]=2 2300 B12R1.226 OC(=O)\C=C\c1cccc(c1)Cl Amb1209598 [1,1,0,0,0,0|0,0,0]=2 2301 B12R1.226 OC(=O)\C=C\c1cccc(c1)F Amb1210956 [1,1,0,0,0,0|0,0,0]=2 2302 B12R1.226 OC(=O)\C=C\c1cccc(c1)I Amb2236388 [1,1,0,0,0,0|0,0,0]=2 2303 B12R1.226 OC(=O)\C=C\c1cccc(c1)N Amb1197625 [1,1,0,0,0,0|0,0,0]=2 2304 B12R1.226 OC(=O)\C=C\c1cccc(c1)O Amb1137756 [1,1,0,0,0,0|0,0,0]=2 2305 B12R1.226 Oc1cc(cc[n]1)\C=C\C(O)=O Amb24682988 [1,1,0,0,0,0|1,0,0]=3 2306 B12R1.226 Oc1cccc(c1)C#CC(O)=O Amb23569602 [1,1,0,0,0,0|0,0,2]=4 2307 B12R1.226 Oc1cccc(c1)\C=C/C(O)=O Amb24584528 [1,1,0,0,0,0|0,0,0]=2 2308 B12R1.226 [O-][N+](=O)\C=C\c1cccc(c1)I Amb1144728 [1,1,0,0,0,0|1,0,1]=4 2309 B12R1.891 CC(C)(C)\C=C/c1ccccc1 Amb22546614 [1,1,0,0,0,0|1,0,1]=4 2310 B12R1.891 CC(C)(C)\C=C\c1ccccc1 Amb24578535 [1,1,0,0,0,0|1,0,1]=4 2311 B12R1.891 CS(=O)(=O)C=Cc1ccccc1 Amb24081201 [1,1,0,0,0,0|1,0,0]=3 2312 B12R1.891 ClS(=O)(=O)\C=C\c1ccccc1 Amb1149990 [1,1,0,0,0,0|1,0,1]=4 2313 B12R1.891 NS(=O)(=O)\C=C\c1ccccc1 Amb1107339 [1,1,0,0,0,0|1,0,1]=4 2314 B12R1.891 O=S(=O)(F)\C=C\c1ccccc1 Amb25332326 [1,1,0,0,0,0|1,0,1]=4 2315 B12R1.891 OP(=O)(\C=C\c1ccccc1)O Amb1041442 [1,1,0,0,0,0|1,0,0]=3 2316 B12R1.891 OS(=O)(=O)/C=C/c1ccccc1 Amb17672591 [1,1,0,0,0,0|1,0,0]=3 2317 B12R1.891 OS(=O)(=O)\C=C\c1ccccc1 Amb22364622 [1,1,0,0,0,0|1,0,0]=3 2318 B12R1.891 OS(=O)(=O)\C=C\c1ccccc1 Amb22364623 [1,1,0,0,0,0|1,0,0]=3 2319 B12R1.891 [O-]S(=O)(=O)C=Cc1ccccc1 Amb22446683 [1,1,0,0,0,0|1,0,1]=4 2320 B12R1.3110 OC(=O)\C=C\C1(O)CC=CC=C1 Amb25261377 [1,1,0,0,0,0|0,0,2]=4 2321 B12R1.15 CCC(=O)\C=C(/N)\c1ccco1 Amb25807522 [0,1,0,0,1,0|2,0,0]=4 2322 B12R1.15 CCC(=O)\C=C(\N)/c1ccco1 Amb24485639 [0,1,0,0,1,0|2,0,0]=4 2323 B12R1.15 COC(=O)CC(=O)c1c[nH]cc1 Amb18563786 [0,1,0,0,1,0|1,0,1]=4 2324 B12R1.15 COC(=O)CC(=O)c1c[s]cc1 Amb19737337 [0,1,0,0,1,0|1,0,1]=4 2325 B12R1.15 COC(=O)NC(=O)c1ccc[s]1 Amb25334476 [0,1,0,0,1,0|2,0,0]=4 2326 B12R1.15 C\C(=C/C(=O)OC)\[n]1c[n]cc1 Amb25082518 [0,1,0,0,1,0|2,0,0]=4 2327 B12R1.15 C\C(=C\C(=O)OC)\[n]1c[n]cc1 Amb24536328 [0,1,0,0,1,0|2,0,0]=4 2328 B12R1.15 C\C(=C\C(=O)OC)\c1[n]cc[s]1 Amb25837502 [0,1,0,0,1,0|2,0,0]=4 2329 B12R1.15 C\C(=C\C(=O)OC)\c1ccco1 Amb24649107 [0,1,0,0,1,0|1,0,0]=3 2330 B12R1.15 C\C(=C\C(=O)OC)\c1cocc1 Amb24491672 [0,1,0,0,1,0|1,0,0]=3 2331 B12R1.26 CNC(=O)\C=C\c1c[s]c(Br)c1 Amb25730946 [0,1,0,0,1,0|2,0,0]=4 2332 B12R1.26 CNC(=O)\C=C\c1ccc(Br)[s]1 Amb25189489 [0,1,0,0,1,0|2,0,0]=4 2333 B12R1.26 CNC(=O)\C=C\c1ccc(I)o1 Amb25847670 [0,1,0,0,1,0|2,0,0]=4 2334 B12R1.26 COC(=O)C=Cc1ccc(Br)[s]1 Amb24078597 [0,1,0,0,1,0|1,0,0]=3 2335 B12R1.26 COC(=O)\C=C/c1c[nH]c(F)[n]1 Amb24411569 [0,1,0,0,1,0|2,0,0]=4 2336 B12R1.26 COC(=O)\C=C\C1=CC(=O)NO1 Amb24712654 [0,1,0,0,1,0|2,0,0]=4 2337 B12R1.26 COC(=O)\C=C\C=1CCC(=O)C1 Amb24625806 [0,1,0,0,1,0|0,0,2]=4 2338 B12R1.26 COC(=O)\C=C\c1c[s]c(Cl)c1 Amb22458355 [0,1,0,0,1,0|1,0,0]=3 2339 B12R1.26 COC(=O)\C=C\c1ccc(Br)o1 Amb22342228 [0,1,0,0,1,0|1,0,0]=3 2340 B12R1.26 COC(=O)\C=C\c1ccc(Cl)[s]1 Amb25070249 [0,1,0,0,1,0|1,0,0]=3 2341 B12R1.26 COC(=O)\C=C\c1ccc(Cl)o1 Amb25723979 [0,1,0,0,1,0|1,0,0]=3 2342 B12R1.26 COC(=O)\C=C\c1ccc(I)o1 Amb25740448 [0,1,0,0,1,0|1,0,0]=3 2343 B12R1.26 C[n]1cc(\C=C\C(=O)OC)cc1 Amb24364856 [0,1,0,0,1,0|1,0,0]=3 2344 B12R1.26 Cc1[nH]cc(\C=C\C(=O)OC)[n]1 Amb25264956 [0,1,0,0,1,0|2,0,0]=4 2345 B12R1.26 Cc1[n]c(\C=C\C(=O)OC)c[s]1 Amb25034820 [0,1,0,0,1,0|2,0,0]=4 2346 B12R1.26 Cc1cc(\C=C\C(=O)OC)[s]c1 Amb25034620 [0,1,0,0,1,0|1,0,0]=3 2347 B12R1.26 Cc1ccc(\C=C\C(=O)NC)[s]1 Amb25725868 [0,1,0,0,1,0|2,0,0]=4 2348 B12R1.26 Cc1ccc(\C=C\C(=O)OC)[s]1 Amb24487446 [0,1,0,0,1,0|1,0,0]=3 2349 B12R1.26 Cc1ccc(\C=C\C(=O)OC)o1 Amb22009458 [0,1,0,0,1,0|1,0,0]=3 2350 B12R1.26 Cc1coc(\C=C\C(=O)OC)[n]1 Amb25344699 [0,1,0,0,1,0|2,0,0]=4 2351 B12R1.51 CC#CC(=O)\C=C\c1cc[s]c1 Amb24577828 [0,1,0,0,1,0|2,0,0]=4 2352 B12R1.51 CC#CC(=O)\C=C\c1ccco1 Amb24721789 [0,1,0,0,1,0|2,0,0]=4 2353 B12R1.51 CCNC(=O)/C=C/c1ccco1 Amb17869798 [0,1,0,0,1,0|2,0,0]=4 2354 B12R1.51 CCNC(=O)/C=C/c1cccs1 Amb17786755 [0,1,0,0,1,0|2,0,0]=4 2355 B12R1.51 CCNC(=O)\C=C\c1c[nH]cc1 Amb24397725 [0,1,0,0,1,0|2,0,0]=4 2356 B12R1.51 CCNC(=O)\C=C\c1cc[s]c1 Amb25345688 [0,1,0,0,1,0|2,0,0]=4 2357 B12R1.51 CCOC(=O)C=Cc1c[nH]c[nH+]1 Amb22452697 [0,1,0,0,1,0|2,0,0]=4 2358 B12R1.51 CCOC(=O)\C=C\c1cc[s]c1 Amb22388596 [0,1,0,0,1,0|1,0,0]=3 2359 B12R1.51 CCOC(=O)\C=C\c1ccc[s]1 Amb21858181 [0,1,0,0,1,0|1,0,0]=3 2360 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [0,1,0,0,1,0|1,0,0]=3 2361 B12R1.51 CONC(=O)\C=C\c1[n]cc[s]1 Amb24353972 [0,1,0,0,1,0|2,0,0]=4 2362 B12R1.51 CONC(=O)\C=C\c1c[s]c[n]1 Amb24747808 [0,1,0,0,1,0|2,0,0]=4 2363 B12R1.51 C\C=C\C(=O)C=Cc1ccc[s]1 Amb24662366 [0,1,0,0,1,0|2,0,0]=4 2364 B12R1.51 C\C=C\C(=O)\C=C\c1ccc[s]1 Amb24496106 [0,1,0,0,1,0|2,0,0]=4 2365 B12R1.51 C\C=C\C(=O)\C=C\c1ccco1 Amb25717785 [0,1,0,0,1,0|2,0,0]=4 2366 B12R1.51 OCNC(=O)\C=C\c1ccco1 Amb25255369 [0,1,0,0,1,0|2,0,0]=4 2367 B12R1.108 COC(=O)C(=O)Cc1ccco1 Amb17138626 [0,1,0,0,1,0|1,0,1]=4 2368 B12R1.108 COC(=O)\C(\N)=C\c1ccc[s]1 Amb24571173 [0,1,0,0,1,0|1,0,0]=3 2369 B12R1.108 COC(=O)\C(\N)=C\c1ccco1 Amb25129514 [0,1,0,0,1,0|1,0,0]=3 2370 B12R1.108 COC(=O)\C(\O)=C\c1ccc[s]1 Amb18010728 [0,1,0,0,1,0|1,0,0]=3 2371 B12R1.264 CC(=C)C(=O)\C=C\c1ccco1 Amb25252220 [0,1,0,0,1,0|2,0,0]=4 2372 B12R1.264 CC(=O)C(=O)\C=C\c1ccco1 Amb25373372 [0,1,0,0,1,0|2,0,0]=4 2373 B12R1.264 CC(C)C(=O)\C=C\c1cc[nH]c1 Amb25829547 [0,1,0,0,1,0|2,0,0]=4 2374 B12R1.264 CN(C)C(=O)\C=C\c1cc[nH]c1 Amb24433291 [0,1,0,0,1,0|2,0,0]=4 2375 B12R1.264 CN(C)C(=O)\C=C\c1cc[s]c1 Amb25256497 [0,1,0,0,1,0|2,0,0]=4 2376 B12R1.264 CN(C)C(=O)\C=C\c1ccc[nH]1 Amb24674978 [0,1,0,0,1,0|2,0,0]=4 2377 B12R1.353 COC(=O)\C=C/c1[nH]ccc1Cl Amb25173637 [0,1,0,0,1,0|1,0,0]=3 2378 B12R1.353 COC(=O)\C=C\N1C=CNC1=O Amb24753716 [0,1,0,0,1,0|2,0,0]=4 2379 B12R1.353 COC(=O)\C=C\c1[nH]ccc1Cl Amb24595434 [0,1,0,0,1,0|1,0,0]=3 2380 B12R1.353 COC(=O)\C=C\c1[n]cc[n]1O Amb24385306 [0,1,0,0,1,0|2,0,0]=4 2381 B12R1.353 COC(=O)\C=C\c1[s]ccc1N Amb18129258 [0,1,0,0,1,0|1,0,0]=3 2382 B12R1.353 COC(=O)\C=C\c1c[n]c[n]1C Amb25360230 [0,1,0,0,1,0|2,0,0]=4 2383 B12R1.353 COC(=O)\C=C\c1cc[s]c1Cl Amb25108756 [0,1,0,0,1,0|1,0,0]=3 2384 B12R1.353 COC(=O)\C=C\c1ccc[n]1C Amb24726149 [0,1,0,0,1,0|1,0,0]=3 2385 B12R1.353 COC(=O)\C=C\c1occc1Br Amb24497733 [0,1,0,0,1,0|1,0,0]=3 2386 B12R1.353 C[n]1cc[n]c1\C=C\C(=O)OC Amb23440780 [0,1,0,0,1,0|2,0,0]=4 2387 B12R1.353 C[n]1cccc1\C=C\C(=O)CC Amb25263047 [0,1,0,0,1,0|2,0,0]=4 2388 B12R1.353 Cc1[n][nH]cc1\C=C\C(=O)OC Amb24685274 [0,1,0,0,1,0|2,0,0]=4 2389 B12R1.353 Cc1[n]c[nH]c1\C=C\C(=O)OC Amb25111978 [0,1,0,0,1,0|2,0,0]=4 2390 B12R1.353 Cc1c[nH]cc1\C=C\C(=O)OC Amb25827709 [0,1,0,0,1,0|1,0,0]=3 2391 B12R1.353 Cc1c[n]oc1\C=C\C(=O)OC Amb25308954 [0,1,0,0,1,0|2,0,0]=4 2392 B12R1.353 Cc1cc[nH]c1\C=C\C(=O)OC Amb24610444 [0,1,0,0,1,0|1,0,0]=3 2393 B12R1.353 Cc1cc[s]c1C=CC(=O)OC Amb24066666 [0,1,0,0,1,0|1,0,0]=3 2394 B12R1.34 BrCC(=O)C(=O)c1ccccc1 Amb17406921 [0,1,0,0,1,0|2,0,0]=4 2395 B12R1.34 C=C(C(=O)C=C)c1ccccc1 Amb24559066 [0,1,0,0,1,0|1,0,1]=4 2396 B12R1.34 CCC(=C)C(=O)c1ccccc1 Amb24722842 [0,1,0,0,1,0|2,0,0]=4 2397 B12R1.34 CCC(=O)C(=O)c1cc[n]cc1 Amb25245097 [0,1,0,0,1,0|2,0,0]=4 2398 B12R1.34 CCC(=O)C(=O)c1cccc[n]1 Amb25762144 [0,1,0,0,1,0|2,0,0]=4 2399 B12R1.34 CCC(=O)C(=O)c1ccccc1 Amb17400106 [0,1,0,0,1,0|1,0,0]=3 2400 B12R1.34 CCC(=O)C(c1ccccc1)Br Amb17596238 [0,1,0,0,1,0|1,0,1]=4 2401 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 Amb25706991 [0,1,0,0,1,0|1,0,1]=4 2402 B12R1.34 CCC(=O)[C@H](C)c1ccccc1 Amb25730209 [0,1,0,0,1,0|1,0,1]=4 2403 B12R1.34 CCC(=O)[C@H](N)c1ccccc1 Amb25757342 [0,1,0,0,1,0|1,0,1]=4 2404 B12R1.34 CN(C(=O)NC)c1ccccc1 Amb24488531 [0,1,0,0,1,0|2,0,0]=4 2405 B12R1.34 CN(C(=O)OC)c1ccc[n]c1 Amb25667300 [0,1,0,0,1,0|2,0,0]=4 2406 B12R1.34 CN(C(=O)OC)c1ccccc1 Amb24612519 [0,1,0,0,1,0|1,0,0]=3 2407 B12R1.34 CNC(=O)C(=O)c1ccccc1 Amb17334577 [0,1,0,0,1,0|1,0,0]=3 2408 B12R1.34 CNC(=O)C(c1ccccc1)N Amb10609276 [0,1,0,0,1,0|1,0,1]=4 2409 B12R1.34 CNC(=O)C(c1ccccc1)O Amb17400179 [0,1,0,0,1,0|1,0,1]=4 2410 B12R1.34 CNC(=O)N(N)c1ccccc1 Amb18646326 [0,1,0,0,1,0|2,0,0]=4 2411 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 Amb24682080 [0,1,0,0,1,0|1,0,1]=4 2412 B12R1.34 CNC(=O)[C@H](C)c1ccccc1 Amb25277288 [0,1,0,0,1,0|1,0,1]=4 2413 B12R1.34 CNC(=O)[C@H](N)c1ccccc1 Amb24678684 [0,1,0,0,1,0|1,0,1]=4 2414 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 Amb25792321 [0,1,0,0,1,0|1,0,1]=4 2415 B12R1.34 CNC(=O)[C@H](c1ccccc1)N Amb17232478 [0,1,0,0,1,0|1,0,1]=4 2416 B12R1.34 COC(=C)C(=O)c1ccccc1 Amb17594034 [0,1,0,0,1,0|1,0,0]=3 2417 B12R1.34 COC(=N)C(=O)c1ccccc1 Amb24647710 [0,1,0,0,1,0|1,0,0]=3 2418 B12R1.34 COC(=N)C(C)c1ccccc1 Amb24095998 [0,1,0,0,1,0|1,0,1]=4 2419 B12R1.34 COC(=N)C(N)c1ccccc1 Amb22471822 [0,1,0,0,1,0|1,0,1]=4 2420 B12R1.34 COC(=N)[C@H](O)c1ccccc1 Amb25832728 [0,1,0,0,1,0|1,0,1]=4 2421 B12R1.34 COC(=O)C(=O)c1cc[n]cc1 Amb25370850 [0,1,0,0,1,0|1,0,0]=3 2422 B12R1.34 COC(=O)C(=O)c1cccc[n]1 Amb25735105 [0,1,0,0,1,0|1,0,0]=3 2423 B12R1.34 COC(=O)C(Br)c1cccc[n]1 Amb25381199 [0,1,0,0,1,0|1,0,1]=4 2424 B12R1.34 COC(=O)C(C)c1cc[n]cc1 Amb19374810 [0,1,0,0,1,0|1,0,1]=4 2425 B12R1.34 COC(=O)C(C)c1ccc[n]c1 Amb18798400 [0,1,0,0,1,0|1,0,1]=4 2426 B12R1.34 COC(=O)C(C)c1cccc[n]1 Amb19375013 [0,1,0,0,1,0|1,0,1]=4 2427 B12R1.34 COC(=O)C(Cl)c1cc[n]cc1 Amb24497439 [0,1,0,0,1,0|1,0,1]=4 2428 B12R1.34 COC(=O)C(Cl)c1ccc[n]c1 Amb19075672 [0,1,0,0,1,0|1,0,1]=4 2429 B12R1.34 COC(=O)C(Cl)c1ccc[n]c1 Amb20668455 [0,1,0,0,1,0|1,0,1]=4 2430 B12R1.34 COC(=O)C(F)c1ccccc1 Amb24179152 [0,1,0,0,1,0|0,0,1]=3 2431 B12R1.34 COC(=O)C(N)c1cc[n]cc1 Amb23400053 [0,1,0,0,1,0|1,0,1]=4 2432 B12R1.34 COC(=O)C(N)c1cc[n]cc1 Amb23401700 [0,1,0,0,1,0|1,0,1]=4 2433 B12R1.34 COC(=O)C(N)c1ccc[n]c1 Amb23401702 [0,1,0,0,1,0|1,0,1]=4 2434 B12R1.34 COC(=O)C(N)c1cccc[n]1 Amb19148994 [0,1,0,0,1,0|1,0,1]=4 2435 B12R1.34 COC(=O)C(N)c1cccc[n]1 Amb22640969 [0,1,0,0,1,0|1,0,1]=4 2436 B12R1.34 COC(=O)C(O)c1cc[n]cc1 Amb23580591 [0,1,0,0,1,0|1,0,1]=4 2437 B12R1.34 COC(=O)C(O)c1ccc[n]c1 Amb18805578 [0,1,0,0,1,0|1,0,1]=4 2438 B12R1.34 COC(=O)C(O)c1ccc[n]c1 Amb19351687 [0,1,0,0,1,0|1,0,1]=4 2439 B12R1.34 COC(=O)C(O)c1ccccc1 Amb22500374 [0,1,0,0,1,0|0,0,1]=3 2440 B12R1.34 COC(=O)C(c1ccccc1)C Amb16185437 [0,1,0,0,1,0|0,0,1]=3 2441 B12R1.34 COC(=O)C(c1ccccc1)Cl Amb1212399 [0,1,0,0,1,0|0,0,1]=3 2442 B12R1.34 COC(=O)C(c1ccccc1)N Amb1196141 [0,1,0,0,1,0|0,0,1]=3 2443 B12R1.34 COC(=O)C(c1ccccc1)N Amb1911591 [0,1,0,0,1,0|0,0,1]=3 2444 B12R1.34 COC(=O)C(c1ccccn1)N Amb13883488 [0,1,0,0,1,0|1,0,1]=4 2445 B12R1.34 COC(=O)C(c1cccnc1)N Amb13951620 [0,1,0,0,1,0|1,0,1]=4 2446 B12R1.34 COC(=O)N(N)c1ccccc1 Amb24688001 [0,1,0,0,1,0|1,0,0]=3 2447 B12R1.34 COC(=O)N(O)c1ccccc1 Amb25174008 [0,1,0,0,1,0|1,0,0]=3 2448 B12R1.34 COC(=O)[C@@H](C)c1ccccc1 Amb24704365 [0,1,0,0,1,0|0,0,1]=3 2449 B12R1.34 COC(=O)[C@H](Cl)c1ccccc1 Amb25210876 [0,1,0,0,1,0|0,0,1]=3 2450 B12R1.34 COC(=O)[C@H](N)c1ccc[n]c1 Amb24447814 [0,1,0,0,1,0|1,0,1]=4 2451 B12R1.34 COC(=O)[C@H](N)c1ccccc1 Amb20240647 [0,1,0,0,1,0|0,0,1]=3 2452 B12R1.34 COC(Br)C(=O)c1ccccc1 Amb25729950 [0,1,0,0,1,0|1,0,1]=4 2453 B12R1.34 COC(O)C(=O)c1ccccc1 Amb24416714 [0,1,0,0,1,0|0,0,2]=4 2454 B12R1.34 COP(=O)[C@@H](O)c1ccccc1 Amb25065497 [0,1,0,0,1,0|1,0,1]=4 2455 B12R1.34 CO[C@@H](C)C(=O)c1ccccc1 Amb25116501 [0,1,0,0,1,0|1,0,1]=4 2456 B12R1.34 CO[C@H](O)C(=O)c1ccccc1 Amb25735094 [0,1,0,0,1,0|0,0,2]=4 2457 B12R1.34 C\C(=C\C)\C(=O)c1ccccc1 Amb25730208 [0,1,0,0,1,0|2,0,0]=4 2458 B12R1.34 C\C=C(/Br)\C(=O)c1ccccc1 Amb22471932 [0,1,0,0,1,0|2,0,0]=4 2459 B12R1.34 C\C=C(/N)\C(=O)c1ccccc1 Amb25144133 [0,1,0,0,1,0|2,0,0]=4 2460 B12R1.34 C\C=C(\N)/C(=O)c1ccccc1 Amb25377894 [0,1,0,0,1,0|2,0,0]=4 2461 B12R1.34 O=C(O[SiH3])C(Cl)c1ccccc1 Amb25313110 [0,1,0,0,1,0|0,1,1]=4 2462 B12R1.49 CCC(=O)Cc1ccc(I)cc1 Amb25229794 [0,1,0,0,1,0|1,0,1]=4 2463 B12R1.49 CCC(=O)Cc1ccc(O)cc1 Amb18646040 [0,1,0,0,1,0|1,0,1]=4 2464 B12R1.49 CCC(=O)Cc1ccc(cc1)Br Amb17477612 [0,1,0,0,1,0|1,0,1]=4 2465 B12R1.49 CCC(=O)Cc1ccc(cc1)C Amb17138536 [0,1,0,0,1,0|1,0,1]=4 2466 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl Amb17139038 [0,1,0,0,1,0|1,0,1]=4 2467 B12R1.49 CCC(=O)Cc1ccc(cc1)F Amb17138600 [0,1,0,0,1,0|1,0,1]=4 2468 B12R1.49 CCC(=O)N=C1C=CC(=O)C=C1 Amb24537744 [0,1,0,0,1,0|2,0,0]=4 2469 B12R1.49 CCC(=O)Nc1ccc(cc1)I Amb254968 [0,1,0,0,1,0|2,0,0]=4 2470 B12R1.49 CCC(=O)Nc1ccc(cc1)N Amb10187476 [0,1,0,0,1,0|2,0,0]=4 2471 B12R1.49 CCC(=O)Nc1ccc(cc1)N Amb1116465 [0,1,0,0,1,0|2,0,0]=4 2472 B12R1.49 CCC(=O)Nc1ccc(cc1)O Amb2041133 [0,1,0,0,1,0|2,0,0]=4 2473 B12R1.49 CCC(=O)Oc1ccc(I)cc1 Amb24430745 [0,1,0,0,1,0|2,0,0]=4 2474 B12R1.49 CCC(=O)Oc1ccc(N)cc1 Amb18646257 [0,1,0,0,1,0|2,0,0]=4 2475 B12R1.49 CCC(=O)Oc1ccc(O)cc1 Amb18646456 [0,1,0,0,1,0|2,0,0]=4 2476 B12R1.49 CCC(=O)Sc1ccc(cc1)C Amb2447238 [0,1,0,0,1,0|2,0,0]=4 2477 B12R1.49 CNC(=O)Cc1ccc(I)cc1 Amb25680399 [0,1,0,0,1,0|1,0,1]=4 2478 B12R1.49 CNC(=O)Cc1ccc(O)cc1 Amb18646280 [0,1,0,0,1,0|1,0,1]=4 2479 B12R1.49 CNC(=O)Cc1ccc(S)cc1 Amb24346465 [0,1,0,0,1,0|1,0,1]=4 2480 B12R1.49 CNC(=O)Cc1ccc(cc1)C Amb1795465 [0,1,0,0,1,0|1,0,1]=4 2481 B12R1.49 CNC(=O)Cc1ccc(cc1)N Amb1117771 [0,1,0,0,1,0|1,0,1]=4 2482 B12R1.49 CNC(=O)Cc1ccc(cc1)N Amb15740907 [0,1,0,0,1,0|1,0,1]=4 2483 B12R1.49 CNC(=O)Nc1ccc(O)cc1 Amb21858114 [0,1,0,0,1,0|2,0,0]=4 2484 B12R1.49 CNC(=O)Nc1ccc(cc1)Br Amb1794857 [0,1,0,0,1,0|2,0,0]=4 2485 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl Amb1196554 [0,1,0,0,1,0|2,0,0]=4 2486 B12R1.49 CNC(=O)Oc1ccc(Cl)cc1 Amb22446687 [0,1,0,0,1,0|2,0,0]=4 2487 B12R1.49 CNC(=O)Oc1ccc(N)cc1 Amb24063598 [0,1,0,0,1,0|2,0,0]=4 2488 B12R1.49 COC(=N)Cc1ccc(Cl)cc1 Amb19057372 [0,1,0,0,1,0|1,0,1]=4 2489 B12R1.49 COC(=N)Cc1ccc(F)cc1 Amb18180127 [0,1,0,0,1,0|1,0,1]=4 2490 B12R1.49 COC(=N)Cc1ccc(O)cc1 Amb18792627 [0,1,0,0,1,0|1,0,1]=4 2491 B12R1.49 COC(=N)Nc1ccc(Cl)cc1 Amb25075628 [0,1,0,0,1,0|2,0,0]=4 2492 B12R1.49 COC(=O)C=C1C=CN(C)C=C1 Amb24099075 [0,1,0,0,1,0|1,0,0]=3 2493 B12R1.49 COC(=O)CN1C=CC(=O)C=C1 Amb18788533 [0,1,0,0,1,0|1,0,1]=4 2494 B12R1.49 COC(=O)C[n+]1ccc(cc1)C Amb10553711 [0,1,0,0,1,0|1,0,1]=4 2495 B12R1.49 COC(=O)C[n+]1ccc(cc1)C Amb2228082 [0,1,0,0,1,0|1,0,1]=4 2496 B12R1.49 COC(=O)Cc1cc[n+](cc1)C Amb10553717 [0,1,0,0,1,0|1,0,1]=4 2497 B12R1.49 COC(=O)Cc1ccc(Br)c[n]1 Amb22388580 [0,1,0,0,1,0|1,0,1]=4 2498 B12R1.49 COC(=O)Cc1ccc(Cl)[n]c1 Amb22494153 [0,1,0,0,1,0|1,0,1]=4 2499 B12R1.49 COC(=O)Cc1ccc(Cl)c[n]1 Amb23437494 [0,1,0,0,1,0|1,0,1]=4 2500 B12R1.49 COC(=O)Cc1ccc(I)[n]c1 Amb25223569 [0,1,0,0,1,0|1,0,1]=4 2501 B12R1.49 COC(=O)Cc1ccc(N)c[n]1 Amb20248326 [0,1,0,0,1,0|1,0,1]=4 2502 B12R1.49 COC(=O)Cc1ccc(cc1)I Amb10601390 [0,1,0,0,1,0|0,0,1]=3 2503 B12R1.49 COC(=O)Nc1ccc(C)cc1 Amb17787412 [0,1,0,0,1,0|1,0,0]=3 2504 B12R1.49 COC(=O)Nc1ccc(Cl)[n]c1 Amb22449324 [0,1,0,0,1,0|2,0,0]=4 2505 B12R1.49 COC(=O)Nc1ccc(F)c[n]1 Amb25838414 [0,1,0,0,1,0|2,0,0]=4 2506 B12R1.49 COC(=O)Nc1ccc(I)c[n]1 Amb24358514 [0,1,0,0,1,0|2,0,0]=4 2507 B12R1.49 COC(=O)Nc1ccc(I)cc1 Amb17861293 [0,1,0,0,1,0|1,0,0]=3 2508 B12R1.49 COC(=O)Nc1ccc(N)[n]c1 Amb18965518 [0,1,0,0,1,0|2,0,0]=4 2509 B12R1.49 COC(=O)Nc1ccc(nc1)Br Amb16982206 [0,1,0,0,1,0|2,0,0]=4 2510 B12R1.49 COC(=O)Oc1ccc(Br)cc1 Amb25307376 [0,1,0,0,1,0|1,0,0]=3 2511 B12R1.49 COC(=O)Oc1ccc(F)cc1 Amb25821230 [0,1,0,0,1,0|1,0,0]=3 2512 B12R1.49 COC(=S)Nc1ccc(Cl)cc1 Amb25800054 [0,1,0,0,1,0|1,1,0]=4 2513 B12R1.49 CSC(=O)Nc1ccc(Cl)cc1 Amb25326091 [0,1,0,0,1,0|1,1,0]=4 2514 B12R1.49 Cc1ccc(CC(=N)OC)cc1 Amb18798199 [0,1,0,0,1,0|1,0,1]=4 2515 B12R1.49 Cc1ccc(CC(=O)OC)[n]c1 Amb22750281 [0,1,0,0,1,0|1,0,1]=4 2516 B12R1.49 Cc1ccc(CC(=O)OC)c[n]1 Amb24179228 [0,1,0,0,1,0|1,0,1]=4 2517 B12R1.49 Cc1ccc(c[n]1)NC(=O)OC Amb24388337 [0,1,0,0,1,0|2,0,0]=4 2518 B12R1.49 Cc1ccc(cc1)NC(=O)SC Amb25326064 [0,1,0,0,1,0|1,1,0]=4 2519 B12R1.49 Cc1ccc(cc1)NC(=S)OC Amb24452259 [0,1,0,0,1,0|1,1,0]=4 2520 B12R1.49 Cc1ccc(cc1)OC(=O)OC Amb24676402 [0,1,0,0,1,0|1,0,0]=3 2521 B12R1.49 Cc1ccc(cc1)SC(=O)NC Amb25691145 [0,1,0,0,1,0|2,0,0]=4 2522 B12R1.49 Cc1ccc(cc1)[C]C(=O)OC Amb22831259 [0,1,0,0,1,0|0,0,1]=3 2523 B12R1.49 NOC(=O)Nc1ccc(F)cc1 Amb25054608 [0,1,0,0,1,0|2,0,0]=4 2524 B12R1.50 CCC(=O)Cc1cccc(c1)Br Amb17477613 [0,1,0,0,1,0|1,0,1]=4 2525 B12R1.50 CCC(=O)Cc1cccc(c1)C Amb17138543 [0,1,0,0,1,0|1,0,1]=4 2526 B12R1.50 CCC(=O)Cc1cccc(c1)Cl Amb17139042 [0,1,0,0,1,0|1,0,1]=4 2527 B12R1.50 CCC(=O)Cc1cccc(c1)F Amb17138604 [0,1,0,0,1,0|1,0,1]=4 2528 B12R1.50 CCC(=O)Nc1cccc(c1)Br Amb1885365 [0,1,0,0,1,0|2,0,0]=4 2529 B12R1.50 CCC(=O)Nc1cccc(c1)N Amb1118353 [0,1,0,0,1,0|2,0,0]=4 2530 B12R1.50 CCC(=O)Nc1cccc(c1)O Amb2025988 [0,1,0,0,1,0|2,0,0]=4 2531 B12R1.50 CCC(=O)Oc1cccc(Br)c1 Amb25219957 [0,1,0,0,1,0|2,0,0]=4 2532 B12R1.50 CCC(=O)Oc1cccc(Cl)c1 Amb25800916 [0,1,0,0,1,0|2,0,0]=4 2533 B12R1.50 CCC(=O)Oc1cccc(F)c1 Amb25153440 [0,1,0,0,1,0|2,0,0]=4 2534 B12R1.50 CCC(=O)Oc1cccc(I)c1 Amb25220812 [0,1,0,0,1,0|2,0,0]=4 2535 B12R1.50 CCC(=O)Oc1cccc(O)c1 Amb22167292 [0,1,0,0,1,0|2,0,0]=4 2536 B12R1.50 CNC(=O)Cc1cccc(Br)c1 Amb23111023 [0,1,0,0,1,0|1,0,1]=4 2537 B12R1.50 CNC(=O)Cc1cccc(Cl)c1 Amb22984156 [0,1,0,0,1,0|1,0,1]=4 2538 B12R1.50 CNC(=O)Cc1cccc(O)c1 Amb18788342 [0,1,0,0,1,0|1,0,1]=4 2539 B12R1.50 CNC(=O)Cc1cccc(c1)C Amb2106610 [0,1,0,0,1,0|1,0,1]=4 2540 B12R1.50 CNC(=O)Nc1cc(F)ccc1 Amb22435126 [0,1,0,0,1,0|2,0,0]=4 2541 B12R1.50 CNC(=O)Nc1cccc(c1)I Amb11258974 [0,1,0,0,1,0|2,0,0]=4 2542 B12R1.50 CNC(=O)Oc1cccc(Cl)c1 Amb24309165 [0,1,0,0,1,0|2,0,0]=4 2543 B12R1.50 CNC(=O)Oc1cccc(F)c1 Amb25674242 [0,1,0,0,1,0|2,0,0]=4 2544 B12R1.50 CNC(=O)Oc1cccc(O)c1 Amb24063537 [0,1,0,0,1,0|2,0,0]=4 2545 B12R1.50 COC(=N)Cc1cccc(Br)c1 Amb25046776 [0,1,0,0,1,0|1,0,1]=4 2546 B12R1.50 COC(=N)Cc1cccc(Cl)c1 Amb19057373 [0,1,0,0,1,0|1,0,1]=4 2547 B12R1.50 COC(=N)Cc1cccc(F)c1 Amb18788552 [0,1,0,0,1,0|1,0,1]=4 2548 B12R1.50 COC(=O)C[n+]1cc(Br)ccc1 Amb24389497 [0,1,0,0,1,0|1,0,1]=4 2549 B12R1.50 COC(=O)C[n+]1cccc(c1)O Amb11238724 [0,1,0,0,1,0|1,0,1]=4 2550 B12R1.50 COC(=O)Cc1c[n]cc(Br)c1 Amb21857140 [0,1,0,0,1,0|1,0,1]=4 2551 B12R1.50 COC(=O)Cc1c[n]cc(O)c1 Amb25808579 [0,1,0,0,1,0|1,0,1]=4 2552 B12R1.50 COC(=O)Cc1cc(Cl)cc[n]1 Amb22752816 [0,1,0,0,1,0|1,0,1]=4 2553 B12R1.50 COC(=O)Cc1cc(Cl)cc[n]1 Amb22899188 [0,1,0,0,1,0|1,0,1]=4 2554 B12R1.50 COC(=O)Cc1cc(F)cc[n]1 Amb24747640 [0,1,0,0,1,0|1,0,1]=4 2555 B12R1.50 COC(=O)Cc1cc[n]c(Br)c1 Amb24483854 [0,1,0,0,1,0|1,0,1]=4 2556 B12R1.50 COC(=O)Cc1cc[n]c(F)c1 Amb25106259 [0,1,0,0,1,0|1,0,1]=4 2557 B12R1.50 COC(=O)Cc1cc[n]c(N)c1 Amb25299195 [0,1,0,0,1,0|1,0,1]=4 2558 B12R1.50 COC(=O)Cc1cccc(Br)[n]1 Amb22232089 [0,1,0,0,1,0|1,0,1]=4 2559 B12R1.50 COC(=O)Cc1cccc(F)[n]1 Amb24422962 [0,1,0,0,1,0|1,0,1]=4 2560 B12R1.50 COC(=O)Cc1cccc(N)[n]1 Amb25336485 [0,1,0,0,1,0|1,0,1]=4 2561 B12R1.50 COC(=O)Cc1cccc(S)c1 Amb22490996 [0,1,0,0,1,0|0,0,1]=3 2562 B12R1.50 COC(=O)Cc1cccc(c1)N Amb10071208 [0,1,0,0,1,0|0,0,1]=3 2563 B12R1.50 COC(=O)Cc1cccc(n1)Cl Amb10976128 [0,1,0,0,1,0|1,0,1]=4 2564 B12R1.50 COC(=O)Nc1c[n]cc(Br)c1 Amb25732556 [0,1,0,0,1,0|2,0,0]=4 2565 B12R1.50 COC(=O)Nc1c[n]cc(I)c1 Amb24331628 [0,1,0,0,1,0|2,0,0]=4 2566 B12R1.50 COC(=O)Nc1cc(Cl)ccn1 Amb10070699 [0,1,0,0,1,0|2,0,0]=4 2567 B12R1.50 COC(=O)Nc1cccc(C)c1 Amb17731515 [0,1,0,0,1,0|1,0,0]=3 2568 B12R1.50 COC(=O)Nc1cccc(I)c1 Amb25774750 [0,1,0,0,1,0|1,0,0]=3 2569 B12R1.50 COC(=O)Nc1cccc(c1)Cl Amb1625032 [0,1,0,0,1,0|1,0,0]=3 2570 B12R1.50 COC(=O)Nc1cccc(c1)N Amb17622185 [0,1,0,0,1,0|1,0,0]=3 2571 B12R1.50 COC(=O)Oc1cc(N)ccc1 Amb25759843 [0,1,0,0,1,0|1,0,0]=3 2572 B12R1.50 COC(=S)Nc1cccc(O)c1 Amb25311054 [0,1,0,0,1,0|1,1,0]=4 2573 B12R1.50 CSC(=O)Nc1cccc(N)c1 Amb24531527 [0,1,0,0,1,0|1,1,0]=4 2574 B12R1.50 C[n+]1cc(ccc1)NC(=O)OC Amb24225243 [0,1,0,0,1,0|2,0,0]=4 2575 B12R1.50 Cc1cc(CC(=N)OC)ccc1 Amb18798192 [0,1,0,0,1,0|1,0,1]=4 2576 B12R1.50 Cc1cc(CC(=O)OC)cc[n]1 Amb23441228 [0,1,0,0,1,0|1,0,1]=4 2577 B12R1.50 Cc1cc(cc[n]1)NC(=O)OC Amb25358566 [0,1,0,0,1,0|2,0,0]=4 2578 B12R1.50 Cc1cc(ccc1)NC(=O)SC Amb24743264 [0,1,0,0,1,0|1,1,0]=4 2579 B12R1.50 Cc1cc(ccc1)NC(=S)OC Amb25743468 [0,1,0,0,1,0|1,1,0]=4 2580 B12R1.50 Cc1cc(ccc1)OC(=O)CC Amb25198730 [0,1,0,0,1,0|2,0,0]=4 2581 B12R1.50 Cc1cc[n]c(CC(=O)OC)c1 Amb22750287 [0,1,0,0,1,0|1,0,1]=4 2582 B12R1.50 Cc1cccc(CC(=O)OC)[n]1 Amb21857032 [0,1,0,0,1,0|1,0,1]=4 2583 B12R1.118 C=C\C(\C=O)=C\c1ccccc1 Amb24553053 [0,1,0,0,1,0|1,0,1]=4 2584 B12R1.118 CC\C(=C/c1ccccn1)\C=O Amb17334523 [0,1,0,0,1,0|2,0,0]=4 2585 B12R1.118 CC\C(=C/c1cccnc1)\C=O Amb17334524 [0,1,0,0,1,0|2,0,0]=4 2586 B12R1.118 CC\C(=C/c1ccncc1)\C=O Amb17334525 [0,1,0,0,1,0|2,0,0]=4 2587 B12R1.118 CC\C(\C=O)=C\c1cc[n]cc1 Amb25271672 [0,1,0,0,1,0|2,0,0]=4 2588 B12R1.118 CC\C(\C=O)=C\c1cccc[n]1 Amb24474541 [0,1,0,0,1,0|2,0,0]=4 2589 B12R1.118 CC\C(\CN)=C\c1ccccc1 Amb25138398 [0,1,0,0,1,0|2,0,0]=4 2590 B12R1.118 CO\C(=C\c1ccccc1)\C=O Amb17594035 [0,1,0,0,1,0|0,0,0]=2 2591 B12R1.118 CO\C(\C=O)=C/c1ccc[n]c1 Amb25713631 [0,1,0,0,1,0|1,0,0]=3 2592 B12R1.118 CS\C(=C\c1ccccc1)\C#N Amb17594452 [0,1,0,0,1,0|1,1,0]=4 2593 B12R1.118 C\C=C(/C=O)\Oc1ccccc1 Amb24697807 [0,1,0,0,1,0|2,0,0]=4 2594 B12R1.118 C\C=C(/Cc1ccccc1)\C=O Amb18645376 [0,1,0,0,1,0|1,0,1]=4 2595 B12R1.118 C\C=C(\C=O)/Sc1ccccc1 Amb18648151 [0,1,0,0,1,0|2,0,0]=4 2596 B12R1.118 C\C=C(\Cc1ccccc1)/C=O Amb25743406 [0,1,0,0,1,0|1,0,1]=4 2597 B12R1.118 N#C\C(\C=O)=C/c1ccccc1 Amb24566216 [0,1,0,0,1,0|2,0,0]=4 2598 B12R1.118 N#C\C(\C=O)=C\c1ccccc1 Amb18644900 [0,1,0,0,1,0|2,0,0]=4 2599 B12R1.118 O=CC(=Cc1ccccc1)C=O Amb18645276 [0,1,0,0,1,0|2,0,0]=4 2600 B12R1.118 O=C\C(\CCl)=C\c1ccccc1 Amb25669592 [0,1,0,0,1,0|2,0,0]=4 2601 B12R1.194 COP(O)(=O)Cc1ccccc1 Amb25353668 [0,1,0,0,1,0|1,0,1]=4 2602 B12R1.371 CCC(=O)Cc1ccccc1Br Amb19148340 [0,1,0,0,1,0|1,0,1]=4 2603 B12R1.371 CCC(=O)Cc1ccccc1C Amb17138542 [0,1,0,0,1,0|1,0,1]=4 2604 B12R1.371 CCC(=O)Cc1ccccc1Cl Amb17139041 [0,1,0,0,1,0|1,0,1]=4 2605 B12R1.371 CCC(=O)Cc1ccccc1F Amb17138603 [0,1,0,0,1,0|1,0,1]=4 2606 B12R1.371 CCC(=O)Cc1ccccc1O Amb18646038 [0,1,0,0,1,0|1,0,1]=4 2607 B12R1.371 CCC(=O)Nc1ccccc1Br Amb2222500 [0,1,0,0,1,0|2,0,0]=4 2608 B12R1.371 CCC(=O)Nc1ccccc1I Amb1788758 [0,1,0,0,1,0|2,0,0]=4 2609 B12R1.371 CCC(=O)Nc1ccccc1N Amb1114296 [0,1,0,0,1,0|2,0,0]=4 2610 B12R1.371 CCC(=O)Oc1ccccc1F Amb25039137 [0,1,0,0,1,0|2,0,0]=4 2611 B12R1.371 CCC(=O)Oc1ccccc1N Amb24743412 [0,1,0,0,1,0|2,0,0]=4 2612 B12R1.371 CCC(=O)Oc1ccccc1O Amb22167293 [0,1,0,0,1,0|2,0,0]=4 2613 B12R1.371 CN/1C=CC=C\C1=C/C(=O)CC Amb25203895 [0,1,0,0,1,0|2,0,0]=4 2614 B12R1.371 CNC(=O)Cc1ccccc1Br Amb22001453 [0,1,0,0,1,0|1,0,1]=4 2615 B12R1.371 CNC(=O)Cc1ccccc1C Amb2106609 [0,1,0,0,1,0|1,0,1]=4 2616 B12R1.371 CNC(=O)Cc1ccccc1Cl Amb23014080 [0,1,0,0,1,0|1,0,1]=4 2617 B12R1.371 CNC(=O)Cc1ccccc1F Amb23014294 [0,1,0,0,1,0|1,0,1]=4 2618 B12R1.371 CNC(=O)Cc1ccccc1N Amb1114729 [0,1,0,0,1,0|1,0,1]=4 2619 B12R1.371 CNC(=O)Nc1ccccc1Br Amb11316867 [0,1,0,0,1,0|2,0,0]=4 2620 B12R1.371 CNC(=O)Nc1ccccc1F Amb2444100 [0,1,0,0,1,0|2,0,0]=4 2621 B12R1.371 CNC(=O)Nc1ccccc1I Amb14010753 [0,1,0,0,1,0|2,0,0]=4 2622 B12R1.371 CNC(=O)Nc1ccccc1N Amb25242450 [0,1,0,0,1,0|2,0,0]=4 2623 B12R1.371 CNC(=O)Oc1ccccc1Cl Amb22479442 [0,1,0,0,1,0|2,0,0]=4 2624 B12R1.371 CNC(=O)Oc1ccccc1F Amb24669113 [0,1,0,0,1,0|2,0,0]=4 2625 B12R1.371 CNC(=O)Oc1ccccc1N Amb24429125 [0,1,0,0,1,0|2,0,0]=4 2626 B12R1.371 CNC(=O)Oc1ccccc1O Amb18646674 [0,1,0,0,1,0|2,0,0]=4 2627 B12R1.371 COC(=N)Cc1ccccc1Cl Amb19074651 [0,1,0,0,1,0|1,0,1]=4 2628 B12R1.371 COC(=N)Cc1ccccc1F Amb18792903 [0,1,0,0,1,0|1,0,1]=4 2629 B12R1.371 COC(=O)CN1C=CC=CC1=O Amb18805575 [0,1,0,0,1,0|1,0,1]=4 2630 B12R1.371 COC(=O)CN1C=CC=CC1=S Amb24192816 [0,1,0,0,1,0|1,0,1]=4 2631 B12R1.371 COC(=O)C[n+]1ccccc1C Amb16224766 [0,1,0,0,1,0|1,0,1]=4 2632 B12R1.371 COC(=O)C[n+]1ccccc1Cl Amb25848252 [0,1,0,0,1,0|1,0,1]=4 2633 B12R1.371 COC(=O)Cc1[n]cccc1Br Amb22263925 [0,1,0,0,1,0|1,0,1]=4 2634 B12R1.371 COC(=O)Cc1[n]cccc1Cl Amb22750289 [0,1,0,0,1,0|1,0,1]=4 2635 B12R1.371 COC(=O)Cc1c[n]ccc1Br Amb25248822 [0,1,0,0,1,0|1,0,1]=4 2636 B12R1.371 COC(=O)Cc1c[n]ccc1Cl Amb25333659 [0,1,0,0,1,0|1,0,1]=4 2637 B12R1.371 COC(=O)Cc1c[n]ccc1N Amb24524861 [0,1,0,0,1,0|1,0,1]=4 2638 B12R1.371 COC(=O)Cc1cc[n]cc1Br Amb22586456 [0,1,0,0,1,0|1,0,1]=4 2639 B12R1.371 COC(=O)Cc1cc[n]cc1N Amb22371407 [0,1,0,0,1,0|1,0,1]=4 2640 B12R1.371 COC(=O)Cc1ccc[n]c1Cl Amb22396231 [0,1,0,0,1,0|1,0,1]=4 2641 B12R1.371 COC(=O)Cc1ccccc1I Amb22749395 [0,1,0,0,1,0|0,0,1]=3 2642 B12R1.371 COC(=O)Cc1ccccc1N Amb20623565 [0,1,0,0,1,0|0,0,1]=3 2643 B12R1.371 COC(=O)Nc1[n]cccc1Br Amb24454429 [0,1,0,0,1,0|2,0,0]=4 2644 B12R1.371 COC(=O)Nc1[n]cccc1Cl Amb25339981 [0,1,0,0,1,0|2,0,0]=4 2645 B12R1.371 COC(=O)Nc1[n]cccc1N Amb18646705 [0,1,0,0,1,0|2,0,0]=4 2646 B12R1.371 COC(=O)Nc1c[n]ccc1Cl Amb24525628 [0,1,0,0,1,0|2,0,0]=4 2647 B12R1.371 COC(=O)Nc1c[n]ccc1N Amb24443744 [0,1,0,0,1,0|2,0,0]=4 2648 B12R1.371 COC(=O)Nc1c[n]ccc1O Amb25847626 [0,1,0,0,1,0|2,0,0]=4 2649 B12R1.371 COC(=O)Nc1cc[n]cc1Br Amb24737452 [0,1,0,0,1,0|2,0,0]=4 2650 B12R1.371 COC(=O)Nc1cc[n]cc1I Amb25160208 [0,1,0,0,1,0|2,0,0]=4 2651 B12R1.371 COC(=O)Nc1cc[n]cc1N Amb18967350 [0,1,0,0,1,0|2,0,0]=4 2652 B12R1.371 COC(=O)Nc1cc[n]cc1O Amb25829808 [0,1,0,0,1,0|2,0,0]=4 2653 B12R1.371 COC(=O)Nc1ccc[n]c1O Amb24369945 [0,1,0,0,1,0|2,0,0]=4 2654 B12R1.371 COC(=O)Nc1cccc[n+]1C Amb2237836 [0,1,0,0,1,0|2,0,0]=4 2655 B12R1.371 COC(=O)Nc1ccccc1C Amb17846660 [0,1,0,0,1,0|1,0,0]=3 2656 B12R1.371 COC(=O)Nc1cccnc1Cl Amb17737912 [0,1,0,0,1,0|2,0,0]=4 2657 B12R1.371 COC(=O)Nc1ncccc1C Amb17739509 [0,1,0,0,1,0|2,0,0]=4 2658 B12R1.371 COC(=O)Oc1ccc[n]c1N Amb24594850 [0,1,0,0,1,0|2,0,0]=4 2659 B12R1.371 COC(=O)Oc1ccccc1N Amb25337714 [0,1,0,0,1,0|1,0,0]=3 2660 B12R1.371 COC(=O)\C=C\1/C=CC=CN1C Amb24099067 [0,1,0,0,1,0|1,0,0]=3 2661 B12R1.371 C\C(\CC)=C/c1ccccc1O Amb25039084 [0,1,0,0,1,0|2,0,0]=4 2662 B12R1.371 Cc1[n]cccc1CC(=O)OC Amb25139680 [0,1,0,0,1,0|1,0,1]=4 2663 B12R1.371 Cc1ccc[n]c1CC(=O)OC Amb22750241 [0,1,0,0,1,0|1,0,1]=4 2664 B12R1.371 Cc1cccc[n+]1CC(=O)OC Amb25683216 [0,1,0,0,1,0|1,0,1]=4 2665 B12R1.371 Cc1ccccc1CC(=N)OC Amb18798191 [0,1,0,0,1,0|1,0,1]=4 2666 B12R1.371 Cc1ccccc1NC(=S)OC Amb25783782 [0,1,0,0,1,0|1,1,0]=4 2667 B12R1.371 Cc1ccccc1OC(=O)OC Amb24474007 [0,1,0,0,1,0|1,0,0]=3 2668 B14R1.13 CNC(=O)N\N=C\c1ccc(O)cc1 Amb24336747 [0,1,0,0,0,1|2,0,0]=4 2669 B14R1.13 CNC(=O)O\N=C\c1ccc(Cl)cc1 Amb24342907 [0,1,0,0,0,1|2,0,0]=4 2670 B14R1.13 COC(=O)C#CCc1ccc(F)cc1 Amb25067541 [0,1,0,0,0,1|0,0,2]=4 2671 B14R1.13 COC(=O)C=CNc1ccc(Br)cc1 Amb22461269 [0,1,0,0,0,1|0,0,0]=2 2672 B14R1.13 COC(=O)CCCc1ccc(Br)cc1 Amb18629275 [0,1,0,0,0,1|0,0,2]=4 2673 B14R1.13 COC(=O)CCCc1ccc(Cl)cc1 Amb18629276 [0,1,0,0,0,1|0,0,2]=4 2674 B14R1.13 COC(=O)CCCc1ccc(F)cc1 Amb18110191 [0,1,0,0,0,1|0,0,2]=4 2675 B14R1.13 COC(=O)CCCc1ccc(N)cc1 Amb22728278 [0,1,0,0,0,1|0,0,2]=4 2676 B14R1.13 COC(=O)CCNc1ccc(cc1)Br Amb1981435 [0,1,0,0,0,1|0,0,2]=4 2677 B14R1.13 COC(=O)CCOc1ccc(cc1)N Amb13951735 [0,1,0,0,0,1|0,0,2]=4 2678 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl Amb10609077 [0,1,0,0,0,1|0,0,2]=4 2679 B14R1.13 COC(=O)NCCc1ccc(Br)cc1 Amb23589074 [0,1,0,0,0,1|0,0,2]=4 2680 B14R1.13 COC(=O)N\C=C\c1ccc(O)cc1 Amb24336614 [0,1,0,0,0,1|0,0,0]=2 2681 B14R1.13 COC(=O)N\N=C\c1ccc(cc1)Cl Amb1650057 [0,1,0,0,0,1|1,0,0]=3 2682 B14R1.13 COC(=O)\C=C\Nc1ccc(Cl)cc1 Amb24375390 [0,1,0,0,0,1|0,0,0]=2 2683 B14R1.13 Cc1ccc(CCCC(=O)OC)cc1 Amb18110189 [0,1,0,0,0,1|0,0,2]=4 2684 B14R1.13 Cc1ccc(\C=C\NC(=O)OC)cc1 Amb24757598 [0,1,0,0,0,1|0,0,0]=2 2685 B14R1.13 Cc1ccc(\C=C\SC(=N)NC)cc1 Amb24730522 [0,1,0,0,0,1|2,0,0]=4 2686 B14R1.13 Cc1ccc(\C=N\NC(=O)NC)cc1 Amb25041140 [0,1,0,0,0,1|2,0,0]=4 2687 B14R1.13 NCC(=O)N\C=C\c1ccc(O)cc1 Amb24615678 [0,1,0,0,0,1|2,0,0]=4 2688 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 Amb23555724 [0,1,0,0,0,1|1,0,1]=4 2689 B14R1.163 CCC(=O)NCC(=O)c1ccccc1 Amb17336295 [0,1,0,0,0,1|1,0,1]=4 2690 B14R1.163 CNC(=O)CCC(=O)c1ccccc1 Amb17336307 [0,1,0,0,0,1|1,0,1]=4 2691 B14R1.163 CNC(=O)CNC(=N)c1ccccc1 Amb24677147 [0,1,0,0,0,1|1,0,1]=4 2692 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 Amb1666156 [0,1,0,0,0,1|1,0,1]=4 2693 B14R1.163 CNC(=O)NCC(=O)c1ccccc1 Amb24639111 [0,1,0,0,0,1|1,0,1]=4 2694 B14R1.163 CNC(=O)NNC(=N)c1ccccc1 Amb25119281 [0,1,0,0,0,1|2,0,0]=4 2695 B14R1.163 CNC(=O)NNC(=S)c1ccccc1 Amb25035857 [0,1,0,0,0,1|2,0,0]=4 2696 B14R1.163 CNC(=O)S\N=C(\O)/c1ccccc1 Amb24653673 [0,1,0,0,0,1|2,0,0]=4 2697 B14R1.163 COC(=O)C#CC(C)c1ccccc1 Amb24461465 [0,1,0,0,0,1|0,0,2]=4 2698 B14R1.163 COC(=O)C#CC(O)c1ccccc1 Amb25796421 [0,1,0,0,0,1|0,0,2]=4 2699 B14R1.163 COC(=O)C#C[C@H](O)c1ccccc1 Amb25079187 [0,1,0,0,0,1|0,0,2]=4 2700 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb19373309 [0,1,0,0,0,1|0,0,2]=4 2701 B14R1.163 COC(=O)CCC(c1ccccc1)N Amb10610596 [0,1,0,0,0,1|0,0,2]=4 2702 B14R1.163 COC(=O)CNC(=O)c1ccccc1 Amb1006962 [0,1,0,0,0,1|0,0,1]=3 2703 B14R1.163 COC(=O)CNC(=O)c1ccncc1 Amb2214174 [0,1,0,0,0,1|1,0,1]=4 2704 B14R1.163 COC(=O)CNC(=S)c1ccccc1 Amb22495668 [0,1,0,0,0,1|0,0,1]=3 2705 B14R1.163 COC(=O)N\N=C(\c1ccncc1)/C Amb2409833 [0,1,0,0,0,1|2,0,0]=4 2706 B14R1.163 COC(=O)\C=C\C(=O)c1ccccc1 Amb2435415 [0,1,0,0,0,1|0,0,0]=2 2707 B14R1.163 O=C(NCC(=O)O[Na])c1ccccc1 Amb22349455 [0,1,0,0,0,1|1,0,1]=4 2708 B14R1.520 CC#CC(=O)\C=C\Nc1ccccc1 Amb25046844 [0,1,0,0,0,1|1,0,0]=3 2709 B14R1.520 CCCC(=O)N\N=C\c1ccccc1 Amb1624995 [0,1,0,0,0,1|2,0,0]=4 2710 B14R1.520 CCCC(=O)\C=C\Nc1cccc[n]1 Amb24664394 [0,1,0,0,0,1|2,0,0]=4 2711 B14R1.520 CCNC(=O)N\N=C\c1ccccc1 Amb24413358 [0,1,0,0,0,1|2,0,0]=4 2712 B14R1.520 CCOC(=O)CCNc1ccccc1 Amb21961618 [0,1,0,0,0,1|0,0,2]=4 2713 B14R1.520 CCOC(=O)CNCc1ccccc1 Amb20247257 [0,1,0,0,0,1|0,0,2]=4 2714 B14R1.520 CCOC(=O)CNNc1ccccc1 Amb2228018 [0,1,0,0,0,1|1,0,1]=4 2715 B14R1.520 CCOC(=O)NN=Cc1ccccc1 Amb24103594 [0,1,0,0,0,1|1,0,0]=3 2716 B14R1.520 CCOC(=O)NNCc1ccccc1 Amb25183830 [0,1,0,0,0,1|1,0,1]=4 2717 B14R1.520 CCOC(=O)N\C=C\c1ccccc1 Amb19987022 [0,1,0,0,0,1|0,0,0]=2 2718 B14R1.520 CCOC(=O)N\C=N\c1c[n]ccc1 Amb25072607 [0,1,0,0,0,1|2,0,0]=4 2719 B14R1.520 CCOC(=O)N\N=C\c1cccnc1 Amb1637634 [0,1,0,0,0,1|2,0,0]=4 2720 B14R1.520 CCOC(=O)ONNc1ccccc1 Amb22438848 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.520 CCOC(=O)\C=C\Cc1ccccc1 Amb10873144 [0,1,0,0,0,1|0,0,0]=2 2722 B14R1.520 CCOC(=O)\C=C\Nc1[n]ccc[n]1 Amb25200928 [0,1,0,0,0,1|2,0,0]=4 2723 B14R1.520 CCOC(=O)\C=C\Nc1ccccc1 Amb24563491 [0,1,0,0,0,1|0,0,0]=2 2724 B14R1.520 COCC(=O)NOCc1ccccc1 Amb10682506 [0,1,0,0,0,1|1,0,1]=4 2725 B14R1.520 C\C=C\C(=O)\C=C\Nc1ccccc1 Amb24400394 [0,1,0,0,0,1|1,0,0]=3 2726 B14R1.520 N#CCC(=O)N\C=C/c1ccccc1 Amb24381403 [0,1,0,0,0,1|1,0,1]=4 2727 B14R1.520 N#CCC(=O)N\C=C\c1ccccc1 Amb25296434 [0,1,0,0,0,1|1,0,1]=4 2728 B14R1.546 N#C\C(\C=O)=C/C=C/c1ccccc1 Amb25273054 [0,1,0,0,0,1|2,0,0]=4 2729 B14R1.546 N#C\C(\C=O)=C/C=Cc1ccccc1 Amb25339559 [0,1,0,0,0,1|2,0,0]=4 2730 B14R1.743 CCC(=O)NC(=N)Nc1ccccc1 Amb24336514 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.743 CCC(=O)NC(=O)Cc1ccccc1 Amb10563533 [0,1,0,0,0,1|1,0,1]=4 2732 B14R1.743 CCC(=O)NC(=S)Oc1ccccc1 Amb25201996 [0,1,0,0,0,1|2,0,0]=4 2733 B14R1.743 CNC(=O)CC(=O)Nc1ccccc1 Amb24506382 [0,1,0,0,0,1|1,0,1]=4 2734 B14R1.743 CNC(=O)\N=C(\N)/Nc1ccccc1 Amb25336354 [0,1,0,0,0,1|2,0,0]=4 2735 B14R1.743 CN\C(=C/C(=O)Oc1ccccc1)\C Amb2386641 [0,1,0,0,0,1|2,0,0]=4 2736 B14R1.743 COC(=N)NC(=O)Cc1ccccc1 Amb25686037 [0,1,0,0,0,1|1,0,1]=4 2737 B14R1.743 COC(=O)CC(Br)Cc1ccccc1 Amb18111203 [0,1,0,0,0,1|0,0,2]=4 2738 B14R1.743 COC(=O)CC(Cl)Cc1ccccc1 Amb18111202 [0,1,0,0,0,1|0,0,2]=4 2739 B14R1.743 COC(=O)CC(N)Cc1ccccc1 Amb18110742 [0,1,0,0,0,1|0,0,2]=4 2740 B14R1.743 COC(=O)CC(N)Cc1ccccc1 Amb21964184 [0,1,0,0,0,1|0,0,2]=4 2741 B14R1.743 COC(=O)NC(=N)Nc1ccccc1 Amb25338054 [0,1,0,0,0,1|1,0,0]=3 2742 B14R1.743 COC(=O)\C=C(/Nc1ccccc1)\C Amb2386652 [0,1,0,0,0,1|0,0,0]=2 2743 B14R1.743 COC(=O)\C=C(\N)/Nc1ccccc1 Amb25843964 [0,1,0,0,0,1|0,0,0]=2 2744 B14R1.743 COC(=S)NC(=O)Nc1ccccc1 Amb24342895 [0,1,0,0,0,1|1,1,0]=4 2745 B14R1.743 CSC(=O)NC(=O)Nc1ccccc1 Amb24639071 [0,1,0,0,0,1|1,1,0]=4 2746 B14R1.743 C\C(=C/C(=O)Nc1ccccc1)\OC Amb24558304 [0,1,0,0,0,1|1,0,0]=3 2747 B14R1.743 C\C(=C/C(=O)Oc1ccccc1)\NC Amb25233525 [0,1,0,0,0,1|2,0,0]=4 2748 B14R1.743 C\C(=C/C(=S)Nc1ccccc1)\NC Amb24682808 [0,1,0,0,0,1|2,0,0]=4 2749 B14R1.743 C\C(=C\C(=O)CC)\Nc1ccccc1 Amb24447082 [0,1,0,0,0,1|1,0,0]=3 2750 B14R1.743 C\C(=C\C(=S)NC)\Nc1ccccc1 Amb24640385 [0,1,0,0,0,1|1,1,0]=4 2751 B14R1.743 C\C(=C\C(=S)Nc1ccccc1)\NC Amb24506567 [0,1,0,0,0,1|2,0,0]=4 2752 B14R1.743 C\C(\CC)=C/C(=O)Nc1ccccc1 Amb24512804 [0,1,0,0,0,1|2,0,0]=4 2753 B14R1.756 CN(\C=N\c1ccccc1)C(=O)NC Amb25087563 [0,1,0,0,0,1|2,0,0]=4 2754 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 Amb2422863 [0,1,0,0,0,1|1,0,1]=4 2755 B14R1.756 CNC(=O)C(=O)NNc1ccccc1 Amb24574715 [0,1,0,0,0,1|2,0,0]=4 2756 B14R1.756 CNC(=O)C(O)\C=C\c1ccccc1 Amb25243537 [0,1,0,0,0,1|1,0,0]=3 2757 B14R1.756 CNC(=O)C(\C=C\c1ccccc1)C Amb10559934 [0,1,0,0,0,1|1,0,0]=3 2758 B14R1.756 COC(=O)C(=O)CCc1ccccc1 Amb10069228 [0,1,0,0,0,1|0,0,1]=3 2759 B14R1.756 COC(=O)C(=O)NCc1ccccc1 Amb24444903 [0,1,0,0,0,1|0,0,1]=3 2760 B14R1.756 COC(=O)C(Br)CCc1ccccc1 Amb22500039 [0,1,0,0,0,1|0,0,2]=4 2761 B14R1.756 COC(=O)C(C)CCc1ccccc1 Amb17844109 [0,1,0,0,0,1|0,0,2]=4 2762 B14R1.756 COC(=O)C(C)NCc1ccccc1 Amb20625132 [0,1,0,0,0,1|0,0,2]=4 2763 B14R1.756 COC(=O)C(C)NCc1ccccc1 Amb22741033 [0,1,0,0,0,1|0,0,2]=4 2764 B14R1.756 COC(=O)C(N)CCc1ccccc1 Amb23439021 [0,1,0,0,0,1|0,0,2]=4 2765 B14R1.756 COC(=O)C(\N=C\c1ccccc1)C Amb2426902 [0,1,0,0,0,1|0,0,1]=3 2766 B14R1.756 COC(=O)[C@@H](C)NCc1ccccc1 Amb22746683 [0,1,0,0,0,1|0,0,2]=4 2767 B14R1.756 COC(=O)[C@@H](N)CCc1ccccc1 Amb23439002 [0,1,0,0,0,1|0,0,2]=4 2768 B14R1.756 COC(=O)[C@H](C)OCc1ccccc1 Amb25833053 [0,1,0,0,0,1|0,0,2]=4 2769 B14R1.756 COC(=O)[C@H](NCc1ccccc1)C Amb16183003 [0,1,0,0,0,1|0,0,2]=4 2770 B14R1.756 COC(=O)[C@H](O)C#Cc1ccccc1 Amb25687820 [0,1,0,0,0,1|0,0,2]=4 2771 B14R1.756 COC(=O)[C@H](OCc1ccccc1)C Amb17617220 [0,1,0,0,0,1|0,0,2]=4 2772 B14R1.756 COC(=O)\C(\Cl)=N\Nc1ccccc1 Amb24277024 [0,1,0,0,0,1|1,0,0]=3 2773 B14R1.756 CON(C(=O)\C=C\c1ccccc1)C Amb10569707 [0,1,0,0,0,1|2,0,0]=4 2774 B14R1.756 C\C(=C/Sc1ccccc1)\C(=O)NC Amb25113975 [0,1,0,0,0,1|1,0,0]=3 2775 B14R1.756 C\C(=C\Nc1ccccc1)\C(=O)CC Amb25780797 [0,1,0,0,0,1|1,0,0]=3 2776 B14R1.756 C\C(=N\Nc1ccccc1)\C(=O)OC Amb22551092 [0,1,0,0,0,1|1,0,0]=3 2777 B14R1.837 CNC(=O)N\N=C\c1ccccc1Cl Amb24624798 [0,1,0,0,0,1|2,0,0]=4 2778 B14R1.837 CNC(=O)N\N=C\c1ccccc1O Amb25335921 [0,1,0,0,0,1|2,0,0]=4 2779 B14R1.837 CNC(=O)O\N=C\c1ccccc1Br Amb24664342 [0,1,0,0,0,1|2,0,0]=4 2780 B14R1.837 COC(=O)C#CCc1ccccc1F Amb25338856 [0,1,0,0,0,1|0,0,2]=4 2781 B14R1.837 COC(=O)CCOc1ccccc1N Amb19148869 [0,1,0,0,0,1|0,0,2]=4 2782 B14R1.837 COC(=O)CCSc1ccccc1N Amb22461590 [0,1,0,0,0,1|0,0,2]=4 2783 B14R1.837 COC(=O)CNCc1ccccc1C Amb10610000 [0,1,0,0,0,1|0,0,2]=4 2784 B14R1.837 COC(=O)CNCc1ccccc1Cl Amb10609298 [0,1,0,0,0,1|0,0,2]=4 2785 B14R1.837 COC(=O)NCCc1ccccc1Br Amb22831370 [0,1,0,0,0,1|0,0,2]=4 2786 B14R1.837 COC(=O)NCCc1ccccc1N Amb17777450 [0,1,0,0,0,1|0,0,2]=4 2787 B14R1.837 COC(=O)NSNc1ccccc1N Amb25240068 [0,1,0,0,0,1|2,0,0]=4 2788 B14R1.837 COC(=O)N\C=C\c1ccccc1O Amb24523801 [0,1,0,0,0,1|0,0,0]=2 2789 B14R1.837 COC(=O)N\N=C\c1ccccc1Br Amb1210788 [0,1,0,0,0,1|1,0,0]=3 2790 B14R1.837 COC(=O)N\N=C\c1ccccc1Cl Amb2411285 [0,1,0,0,0,1|1,0,0]=3 2791 B14R1.837 COC(=O)\C=C/Nc1ccccc1O Amb18651395 [0,1,0,0,0,1|0,0,0]=2 2792 B14R1.837 COC(=O)\C=C\Nc1ccccc1Br Amb25229830 [0,1,0,0,0,1|0,0,0]=2 2793 B14R1.837 COC(=O)\C=C\Nc1ccccc1F Amb25315731 [0,1,0,0,0,1|0,0,0]=2 2794 B14R1.837 COC(=O)\C=C\Nc1ccccc1I Amb24447872 [0,1,0,0,0,1|0,0,0]=2 2795 B14R1.837 COC(=O)\C=C\Nc1ccccc1N Amb18651164 [0,1,0,0,0,1|0,0,0]=2 2796 B14R1.837 COC(=O)\C=C\Nc1ccccc1O Amb25238758 [0,1,0,0,0,1|0,0,0]=2 2797 B14R1.837 COC(=S)N\N=C\c1ccccc1O Amb24602939 [0,1,0,0,0,1|1,1,0]=4 2798 B14R1.837 CSC(=O)N\N=C\c1ccccc1O Amb25729210 [0,1,0,0,0,1|1,1,0]=4 2799 B14R1.837 [Na]OC(=O)\C=C\Nc1ncccc1C Amb2525911 [0,1,0,0,0,1|2,0,0]=4 2800 B14R1.1025 CNC(=O)N\N=C\c1cccc(Cl)c1 Amb24336745 [0,1,0,0,0,1|2,0,0]=4 2801 B14R1.1025 COC(=O)C=CCc1cccc(Cl)c1 Amb22229468 [0,1,0,0,0,1|0,0,0]=2 2802 B14R1.1025 COC(=O)CCSc1cccc(N)c1 Amb22058830 [0,1,0,0,0,1|0,0,2]=4 2803 B14R1.1025 COC(=O)CNCc1cccc(c1)F Amb10609869 [0,1,0,0,0,1|0,0,2]=4 2804 B14R1.1025 COC(=O)COCc1cccc(N)c1 Amb23443790 [0,1,0,0,0,1|0,0,2]=4 2805 B14R1.1025 COC(=O)NCCc1cccc(O)c1 Amb22395729 [0,1,0,0,0,1|0,0,2]=4 2806 B14R1.1025 COC(=O)N\N=C/c1cccc(c1)O Amb2438471 [0,1,0,0,0,1|1,0,0]=3 2807 B14R1.1025 COC(=O)\C=C\Nc1cccc(Br)c1 Amb25353092 [0,1,0,0,0,1|0,0,0]=2 2808 B14R1.1025 COC(=O)\C=C\Nc1cccc(Cl)c1 Amb22434469 [0,1,0,0,0,1|0,0,0]=2 2809 B14R1.6449 CC(=C)C(=O)N\C=C/c1ccccc1 Amb24381404 [0,1,0,0,0,1|1,0,0]=3 2810 B14R1.6449 CC(=C)C(=O)N\C=C\c1ccccc1 Amb25356426 [0,1,0,0,0,1|1,0,0]=3 2811 B14R1.6449 CC(C)C(=O)N\N=C\c1ccccc1 Amb24472325 [0,1,0,0,0,1|2,0,0]=4 2812 B14R1.6449 CC(Cl)C(=O)\C=N\Nc1ccccc1 Amb24593525 [0,1,0,0,0,1|2,0,0]=4 2813 B14R1.6449 CN(C)C(=O)C\C=C\c1ccccc1 Amb24110298 [0,1,0,0,0,1|1,0,0]=3 2814 B14R1.6449 C\C(=C/C=Cc1ccccc1)\C(C)N Amb24419397 [0,1,0,0,0,1|2,0,0]=4 2815 B14R1.6449 C\C(=C/C=Cc1ccccc1)\C(C)O Amb24507416 [0,1,0,0,0,1|2,0,0]=4 2816 B14R1.10 CC\C(=C/C(=O)c1ccc(cc1)Br)\O Amb1035220 [0,2,0,0,0,0|1,0,1]=4 2817 B14R1.10 CN\C(\C)=C/C(=O)c1ccc(C)cc1 Amb25691475 [0,2,0,0,0,0|2,0,0]=4 2818 B14R1.10 COC(=N)CC(=O)c1ccc(Cl)cc1 Amb22433454 [0,2,0,0,0,0|1,0,1]=4 2819 B14R1.10 COC(=N)NC(=O)c1ccc(Cl)cc1 Amb22471792 [0,2,0,0,0,0|2,0,0]=4 2820 B14R1.10 COC(=O)CC(=O)c1c[n]c(N)cc1 Amb18815365 [0,2,0,0,0,0|1,0,1]=4 2821 B14R1.10 COC(=O)CC(=O)c1ccc(I)cc1 Amb23400644 [0,2,0,0,0,0|0,0,1]=3 2822 B14R1.10 COC(=O)CC(=O)c1ccc(O)cc1 Amb22731193 [0,2,0,0,0,0|0,0,1]=3 2823 B14R1.10 COC(=O)CC(=O)c1ccc(nc1)C Amb17617563 [0,2,0,0,0,0|1,0,1]=4 2824 B14R1.10 COC(=O)CC(c1ccc(cc1)Br)C Amb17265526 [0,2,0,0,0,0|0,0,2]=4 2825 B14R1.10 COC(=O)CC(c1ccc(cc1)Br)N Amb10619468 [0,2,0,0,0,0|0,0,2]=4 2826 B14R1.10 COC(=O)CC(c1ccc(cc1)Br)N Amb2371490 [0,2,0,0,0,0|0,0,2]=4 2827 B14R1.10 COC(=O)CC(c1ccc(cc1)C)C Amb17235400 [0,2,0,0,0,0|0,0,2]=4 2828 B14R1.10 COC(=O)CC(c1ccc(cc1)Cl)C Amb17241254 [0,2,0,0,0,0|0,0,2]=4 2829 B14R1.10 COC(=O)CC(c1ccc(cc1)Cl)N Amb1104817 [0,2,0,0,0,0|0,0,2]=4 2830 B14R1.10 COC(=O)CC(c1ccc(cc1)Cl)N Amb2260568 [0,2,0,0,0,0|0,0,2]=4 2831 B14R1.10 COC(=O)CC(c1ccc(cc1)F)C Amb17236380 [0,2,0,0,0,0|0,0,2]=4 2832 B14R1.10 COC(=O)CC(c1ccc(cc1)F)N Amb10610265 [0,2,0,0,0,0|0,0,2]=4 2833 B14R1.10 COC(=O)CS(=O)c1ccc(Br)cc1 Amb19375540 [0,2,0,0,0,0|1,0,1]=4 2834 B14R1.10 COC(=O)C[C@@H](N)c1ccc(Br)cc1 Amb23440353 [0,2,0,0,0,0|0,0,2]=4 2835 B14R1.10 COC(=O)C[C@@H](N)c1ccc(Cl)cc1 Amb22747570 [0,2,0,0,0,0|0,0,2]=4 2836 B14R1.10 COC(=O)C[C@@H](N)c1ccc(O)cc1 Amb24181931 [0,2,0,0,0,0|0,0,2]=4 2837 B14R1.10 COC(=O)C[C@H](N)c1ccc(Cl)cc1 Amb24271443 [0,2,0,0,0,0|0,0,2]=4 2838 B14R1.10 COC(=O)NC(C)c1ccc(Br)cc1 Amb25670911 [0,2,0,0,0,0|1,0,1]=4 2839 B14R1.10 COC(=O)NC(C)c1ccc(F)cc1 Amb25782128 [0,2,0,0,0,0|1,0,1]=4 2840 B14R1.10 COC(=O)\C=C(\N)/c1ccc(F)cc1 Amb25799414 [0,2,0,0,0,0|0,0,0]=2 2841 B14R1.10 C\C(=C/C(=O)OC)\c1c[n]c(N)cc1 Amb25691030 [0,2,0,0,0,0|1,0,0]=3 2842 B14R1.10 C\C(=C/C(=O)OC)\c1ccc(Br)cc1 Amb25256042 [0,2,0,0,0,0|0,0,0]=2 2843 B14R1.10 C\C(=C\C(=O)OC)\c1c[n]c(N)cc1 Amb25311550 [0,2,0,0,0,0|1,0,0]=3 2844 B14R1.10 C\C(=C\C(=O)OC)\c1ccc(Br)cc1 Amb25717231 [0,2,0,0,0,0|0,0,0]=2 2845 B14R1.10 Cc1ccc(cc1)C(=O)NC(=O)CC Amb24506566 [0,2,0,0,0,0|2,0,0]=4 2846 B14R1.10 Cc1ccc(cc1)C(=O)NC(=O)OC Amb25709680 [0,2,0,0,0,0|1,0,0]=3 2847 B14R1.10 Cc1ccc(cc1)C(=O)NC(=S)OC Amb25254179 [0,2,0,0,0,0|1,1,0]=4 2848 B14R1.10 Cc1ccc(cc1)C(C)NC(=O)OC Amb24752178 [0,2,0,0,0,0|1,0,1]=4 2849 B14R1.10 Cc1ccc(cc1)\C(\C)=C/C(=O)NC Amb25690812 [0,2,0,0,0,0|1,0,0]=3 2850 B14R1.10 Cc1ccc(cc1)\C(\C)=C/C(=O)OC Amb24635465 [0,2,0,0,0,0|0,0,0]=2 2851 B14R1.10 Cc1ccc(cc1)\C(\C)=C\C(=O)OC Amb25049394 [0,2,0,0,0,0|0,0,0]=2 2852 B14R1.11 CN(CC(=O)OC)c1cccc(Cl)c1 Amb18269092 [0,2,0,0,0,0|1,0,1]=4 2853 B14R1.11 CNC(=O)NC(=O)c1cccc(N)c1 Amb25351503 [0,2,0,0,0,0|2,0,0]=4 2854 B14R1.11 COC(=N)NC(=O)c1cccc(Cl)c1 Amb25714527 [0,2,0,0,0,0|2,0,0]=4 2855 B14R1.11 COC(=O)CC(=O)c1cc[n]c(Cl)c1 Amb22296180 [0,2,0,0,0,0|1,0,1]=4 2856 B14R1.11 COC(=O)CC(N)c1cccc(O)c1 Amb18814212 [0,2,0,0,0,0|0,0,2]=4 2857 B14R1.11 COC(=O)CC(c1cccc(c1)Br)N Amb10610090 [0,2,0,0,0,0|0,0,2]=4 2858 B14R1.11 COC(=O)CC(c1cccc(c1)F)N Amb1884736 [0,2,0,0,0,0|0,0,2]=4 2859 B14R1.11 COC(=O)CC(c1cccc(c1)F)[NH3+] Amb1770964 [0,2,0,0,0,0|0,0,2]=4 2860 B14R1.11 COC(=O)C[C@@H](N)c1cccc(O)c1 Amb24181932 [0,2,0,0,0,0|0,0,2]=4 2861 B14R1.11 COC(=O)C[C@@H](O)c1cc(O)ccc1 Amb24181934 [0,2,0,0,0,0|0,0,2]=4 2862 B14R1.11 COC(=O)NC(=O)c1cccc(Cl)c1 Amb24547065 [0,2,0,0,0,0|1,0,0]=3 2863 B14R1.11 COC(=O)NC(C)c1cccc(Br)c1 Amb25183234 [0,2,0,0,0,0|1,0,1]=4 2864 B14R1.11 COC(=O)NC(C)c1cccc(Cl)c1 Amb24575794 [0,2,0,0,0,0|1,0,1]=4 2865 B14R1.11 COC(=O)NC(C)c1cccc(F)c1 Amb25206914 [0,2,0,0,0,0|1,0,1]=4 2866 B14R1.11 COC(=O)\C=C(\N)/c1cccc(F)c1 Amb25317935 [0,2,0,0,0,0|0,0,0]=2 2867 B14R1.11 C\C(=C\C(=O)OC)\c1cc(Cl)ccc1 Amb25850659 [0,2,0,0,0,0|0,0,0]=2 2868 B14R1.11 C\C(=C\C(=O)OC)\c1cc(F)c[n]c1 Amb25116864 [0,2,0,0,0,0|1,0,0]=3 2869 B14R1.11 Cc1cc(ccc1)C(=O)NC(=S)OC Amb25311175 [0,2,0,0,0,0|1,1,0]=4 2870 B14R1.29 CC#CC(=O)NC(=O)c1ccccc1 Amb24096479 [0,2,0,0,0,0|2,0,0]=4 2871 B14R1.29 CCCC(=O)NC(=O)c1ccccc1 Amb25131173 [0,2,0,0,0,0|2,0,0]=4 2872 B14R1.29 CCNC(=O)NC(=N)c1ccccc1 Amb25081406 [0,2,0,0,0,0|2,0,0]=4 2873 B14R1.29 CCOC(=N)NC(=O)c1ccccc1 Amb25790534 [0,2,0,0,0,0|2,0,0]=4 2874 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 Amb1212681 [0,2,0,0,0,0|0,0,1]=3 2875 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 Amb13951245 [0,2,0,0,0,0|1,0,1]=4 2876 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 Amb1647670 [0,2,0,0,0,0|1,0,1]=4 2877 B14R1.29 CCOC(=O)CS(=O)c1ccccc1 Amb22732228 [0,2,0,0,0,0|1,0,1]=4 2878 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb19051013 [0,2,0,0,0,0|0,0,2]=4 2879 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O Amb10070415 [0,2,0,0,0,0|0,0,2]=4 2880 B14R1.29 CCOC(=O)NC(=O)c1c[n]ccc1 Amb24356576 [0,2,0,0,0,0|2,0,0]=4 2881 B14R1.29 CCOC(=O)NC(=O)c1cc[n]cc1 Amb25054599 [0,2,0,0,0,0|2,0,0]=4 2882 B14R1.29 CCOC(=O)NC(=S)c1ccccc1 Amb25290179 [0,2,0,0,0,0|1,0,0]=3 2883 B14R1.29 CCOC(=O)NC(=S)c1cccnc1 Amb10559604 [0,2,0,0,0,0|2,0,0]=4 2884 B14R1.29 CCOC(=O)NC(c1ccccc1)C Amb2558890 [0,2,0,0,0,0|1,0,1]=4 2885 B14R1.29 CCOC(=O)[CH-]C(=O)c1ccccc1 Amb22456153 [0,2,0,0,0,0|0,0,1]=3 2886 B14R1.29 CCOC(=O)\C=C(/N)\c1ccccc1 Amb22285050 [0,2,0,0,0,0|0,0,0]=2 2887 B14R1.29 CCOC(=O)\C=C(/c1ccccc1)\C Amb10566527 [0,2,0,0,0,0|0,0,0]=2 2888 B14R1.29 CCOC(=S)NC(=O)c1ccccc1 Amb1641309 [0,2,0,0,0,0|1,1,0]=4 2889 B14R1.29 COCC(=O)N[C@@H](C)c1ccccc1 Amb23166824 [0,2,0,0,0,0|1,0,1]=4 2890 B14R1.29 NCCC(=O)NC(=O)c1ccccc1 Amb25361031 [0,2,0,0,0,0|2,0,0]=4 2891 B14R1.29 N\C(=C\C(=O)CC#N)\c1ccccc1 Amb24601803 [0,2,0,0,0,0|1,0,1]=4 2892 B14R1.29 [N-]=[N+]=NC(=O)\C=C(\Cl)/c1ccccc1 Amb25267823 [0,2,0,0,0,0|2,0,0]=4 2893 B14R1.58 CC\C(=C\C(=O)c1ccccc1)\NC Amb25664183 [0,2,0,0,0,0|2,0,0]=4 2894 B14R1.58 CSC(=CC(=O)c1ccccc1)SC Amb2409773 [0,2,0,0,0,0|0,2,0]=4 2895 B14R1.85 CC(C(Cl)C(=O)OC)c1ccccc1 Amb22059076 [0,2,0,0,0,0|0,0,2]=4 2896 B14R1.85 CC(C(N)C(=O)OC)c1ccccc1 Amb19013065 [0,2,0,0,0,0|0,0,2]=4 2897 B14R1.85 CC(C(N)c1ccccc1)C(=O)OC Amb20623659 [0,2,0,0,0,0|0,0,2]=4 2898 B14R1.85 CNC(=O)N(C)C(=O)c1ccccc1 Amb24551879 [0,2,0,0,0,0|2,0,0]=4 2899 B14R1.85 CN\C(\C)=C(\C)/C(=O)c1ccccc1 Amb25366557 [0,2,0,0,0,0|2,0,0]=4 2900 B14R1.85 COC(=O)C(=O)C(Cl)c1c[n]ccc1 Amb18866485 [0,2,0,0,0,0|1,0,1]=4 2901 B14R1.85 COC(=O)C(=O)C(Cl)c1cc[n]cc1 Amb18225175 [0,2,0,0,0,0|1,0,1]=4 2902 B14R1.85 COC(=O)C(=O)C(Cl)c1cccc[n]1 Amb18866484 [0,2,0,0,0,0|1,0,1]=4 2903 B14R1.85 COC(=O)C(=O)C(Cl)c1ccccc1 Amb18866388 [0,2,0,0,0,0|0,0,1]=3 2904 B14R1.85 COC(=O)C(=O)C(c1ccccc1)C Amb17139343 [0,2,0,0,0,0|0,0,1]=3 2905 B14R1.85 COC(=O)C(=O)N(c1ccccc1)C Amb2438091 [0,2,0,0,0,0|1,0,0]=3 2906 B14R1.85 COC(=O)C(C(=O)c1ccccc1)C Amb10553472 [0,2,0,0,0,0|0,0,1]=3 2907 B14R1.85 COC(=O)C(Cl)C(=O)c1ccccc1 Amb18866389 [0,2,0,0,0,0|0,0,1]=3 2908 B14R1.85 COC(=O)C(N)C(=O)c1ccccc1 Amb22325263 [0,2,0,0,0,0|0,0,1]=3 2909 B14R1.85 COC(=O)[C@@H](O)[C@@H](N)c1ccccc1 Amb23439859 [0,2,0,0,0,0|0,0,2]=4 2910 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)c1ccccc1 Amb17844463 [0,2,0,0,0,0|0,0,2]=4 2911 B14R1.85 COC(=O)[C@@H](O)[C@H](N)c1ccccc1 Amb22744727 [0,2,0,0,0,0|0,0,2]=4 2912 B14R1.85 COC(=O)[C@@H](O)[C@H](O)c1ccccc1 Amb22336526 [0,2,0,0,0,0|0,0,2]=4 2913 B14R1.85 COC(=O)[C@@H]([C@H](c1ccccc1)N)O Amb10603125 [0,2,0,0,0,0|0,0,2]=4 2914 B14R1.85 COC(=O)[C@H](O)[C@@H](O)c1ccccc1 Amb22230835 [0,2,0,0,0,0|0,0,2]=4 2915 B14R1.85 CON(C)C(=O)C(=O)c1ccccc1 Amb22444281 [0,2,0,0,0,0|2,0,0]=4 2916 B14R1.85 C\C(\C(=O)OC)=C(\N)/c1ccccc1 Amb24711435 [0,2,0,0,0,0|0,0,0]=2 2917 B14R1.85 C\C(\NC)=C(/Cl)\C(=O)c1ccccc1 Amb24336448 [0,2,0,0,0,0|2,0,0]=4 2918 B14R1.290 C\C(=C\S(=O)(=O)NC)\c1ccccc1 Amb25079697 [0,2,0,0,0,0|2,0,0]=4 2919 B14R1.415 CC(C)C(=O)NC(=O)c1ccccc1 Amb24092603 [0,2,0,0,0,0|2,0,0]=4 2920 B14R1.415 CC(C)C(=O)NC(=S)c1ccccc1 Amb25082870 [0,2,0,0,0,0|2,0,0]=4 2921 B14R1.415 CC(C)C(=O)\C=C(\N)/c1ccccc1 Amb24536316 [0,2,0,0,0,0|1,0,0]=3 2922 B14R1.415 CC(C)\C(\N)=C\C(=O)c1ccccc1 Amb24568969 [0,2,0,0,0,0|2,0,0]=4 2923 B14R1.415 CC(O)\C(\N)=C\C(=O)c1ccccc1 Amb25087850 [0,2,0,0,0,0|2,0,0]=4 2924 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 Amb25237559 [0,2,0,0,0,0|2,0,0]=4 2925 B14R1.415 CN(C)C(=O)NC(=S)c1ccccc1 Amb24398694 [0,2,0,0,0,0|2,0,0]=4 2926 B14R1.415 C\C(=C\C(=O)C(O)=O)\c1ccccc1 Amb24617870 [0,2,0,0,0,0|2,0,0]=4 2927 B14R1.415 NC(=O)C(=O)\C=C(\N)/c1ccccc1 Amb24467921 [0,2,0,0,0,0|2,0,0]=4 2928 B14R1.587 CCC(=O)NC(=O)c1ccccc1O Amb18651408 [0,2,0,0,0,0|2,0,0]=4 2929 B14R1.587 CNC(=O)CC(=O)c1ccccc1Cl Amb25166136 [0,2,0,0,0,0|1,0,1]=4 2930 B14R1.587 CNC(=O)\C=C(\O)/c1ccccc1Cl Amb24563874 [0,2,0,0,0,0|1,0,0]=3 2931 B14R1.587 COC(=O)CC(=O)c1[n]cccc1Br Amb23402730 [0,2,0,0,0,0|1,0,1]=4 2932 B14R1.587 COC(=O)CC(=O)c1[n]cccc1Cl Amb23402714 [0,2,0,0,0,0|1,0,1]=4 2933 B14R1.587 COC(=O)CC(=O)c1[n]cccc1F Amb23402727 [0,2,0,0,0,0|1,0,1]=4 2934 B14R1.587 COC(=O)CC(=O)c1ccc[n]c1Cl Amb22296183 [0,2,0,0,0,0|1,0,1]=4 2935 B14R1.587 COC(=O)CC(=O)c1ccccc1O Amb18130065 [0,2,0,0,0,0|0,0,1]=3 2936 B14R1.587 COC(=O)CC(c1ccccc1Cl)N Amb1106205 [0,2,0,0,0,0|0,0,2]=4 2937 B14R1.587 COC(=O)CC(c1ccccc1F)N Amb1080280 [0,2,0,0,0,0|0,0,2]=4 2938 B14R1.587 COC(=O)NC(=O)c1[n]cccc1O Amb24336584 [0,2,0,0,0,0|2,0,0]=4 2939 B14R1.587 C\C(=C/C(=O)OC)\c1ccccc1Cl Amb25776873 [0,2,0,0,0,0|0,0,0]=2 2940 B14R1.587 C\C(=C/C(=O)OC)\c1ccccc1O Amb25094328 [0,2,0,0,0,0|0,0,0]=2 2941 B14R1.587 C\C(=C\C(=O)OC)\c1ccccc1Br Amb24687209 [0,2,0,0,0,0|0,0,0]=2 2942 B14R1.587 C\C(=C\C(=O)OC)\c1ccccc1Cl Amb24463095 [0,2,0,0,0,0|0,0,0]=2 2943 B14R1.587 C\C(=C\C(=O)OC)\c1ccccc1F Amb25856433 [0,2,0,0,0,0|0,0,0]=2 2944 B14R1.587 Cc1[n]cc[n]c1\C(\C)=C/C(=O)OC Amb25831473 [0,2,0,0,0,0|2,0,0]=4 2945 B14R1.587 Cc1ccccc1C(=O)NC(=S)OC Amb25347667 [0,2,0,0,0,0|1,1,0]=4 2946 B14R1.587 Cc1ccccc1[C@@H](C)NC(=O)OC Amb25036982 [0,2,0,0,0,0|1,0,1]=4 2947 B14R1.587 Cc1ccccc1[C@@H](O)CC(=O)OC Amb19515343 [0,2,0,0,0,0|0,0,2]=4 2948 B14R1.587 Cc1ccccc1[C@H](C)NC(=O)OC Amb24392176 [0,2,0,0,0,0|1,0,1]=4 2949 B14R1.587 Cc1ccccc1\C(\C)=C/C(=O)OC Amb24701693 [0,2,0,0,0,0|0,0,0]=2 2950 B14R1.587 Cc1ccccc1\C(\C)=C\C(=O)OC Amb25228450 [0,2,0,0,0,0|0,0,0]=2 2951 B14R1.587 Cc1ccccc1\C(\N)=C/C(=O)OC Amb24634141 [0,2,0,0,0,0|0,0,0]=2 2952 B14R1.3297 CC[C@@H](c1ccccc1)NC(=O)OC Amb10559460 [0,2,0,0,0,0|1,0,1]=4 2953 B14R1.3297 CNC(=O)\C=C(\SC)/c1ccccc1 Amb25243048 [0,2,0,0,0,0|1,0,0]=3 2954 B14R1.3297 CN\C(=C/C(=S)NC)\c1ccccc1 Amb25289078 [0,2,0,0,0,0|1,1,0]=4 2955 B14R1.3297 CN\C(=C\C(=O)NC)\c1ccccc1 Amb24571935 [0,2,0,0,0,0|1,0,0]=3 2956 B14R1.3297 COC(=O)NC(C#N)c1ccccc1 Amb19060872 [0,2,0,0,0,0|1,0,1]=4 2957 B14R1.3297 C\C=C(\CC(=O)NC)/c1ccccc1 Amb25201547 [0,2,0,0,0,0|1,0,1]=4 2958 B14R1.3297 NCC(c1ccccc1)CC(=O)OC Amb17401739 [0,2,0,0,0,0|0,0,2]=4 2959 B14R1.5 CCc1ccc(\C=C\C(=O)NC)cc1 Amb24336028 [0,2,0,0,0,0|1,0,0]=3 2960 B14R1.5 CNC(=O)\C=C\c1ccc(cc1)OC Amb1955661 [0,2,0,0,0,0|1,0,0]=3 2961 B14R1.5 CNc1ccc(CNC(=O)OC)cc1 Amb24337668 [0,2,0,0,0,0|1,0,1]=4 2962 B14R1.5 COC(=O)C#Cc1ccc(cc1)C=O Amb25793511 [0,2,0,0,0,0|0,0,2]=4 2963 B14R1.5 COC(=O)C#Cc1ccc(cc1)SC Amb25766355 [0,2,0,0,0,0|0,0,2]=4 2964 B14R1.5 COC(=O)C=Cc1ccc(CCl)cc1 Amb22229515 [0,2,0,0,0,0|0,0,0]=2 2965 B14R1.5 COC(=O)CCc1ccc(CN)cc1 Amb21618941 [0,2,0,0,0,0|0,0,2]=4 2966 B14R1.5 COC(=O)CCc1ccc(cc1)C#N Amb18650150 [0,2,0,0,0,0|0,0,2]=4 2967 B14R1.5 COC(=O)CCc1ccc(cc1)CC Amb17401643 [0,2,0,0,0,0|0,0,2]=4 2968 B14R1.5 COC(=O)CCc1ccc(cc1)SC Amb18942909 [0,2,0,0,0,0|0,0,2]=4 2969 B14R1.5 COC(=O)COc1ccc(cc1)C#N Amb1071792 [0,2,0,0,0,0|1,0,1]=4 2970 B14R1.5 COC(=O)COc1ccc(cc1)C=O Amb1005677 [0,2,0,0,0,0|1,0,1]=4 2971 B14R1.5 COC(=O)COc1ccc(cc1)NC Amb24271451 [0,2,0,0,0,0|1,0,1]=4 2972 B14R1.5 COC(=O)COc1ccc(cc1)OC Amb2551843 [0,2,0,0,0,0|1,0,1]=4 2973 B14R1.5 COC(=O)NCc1ccc(CN)cc1 Amb19005899 [0,2,0,0,0,0|1,0,1]=4 2974 B14R1.5 COC(=O)NCc1ccc(OC)cc1 Amb17737966 [0,2,0,0,0,0|1,0,1]=4 2975 B14R1.5 COC(=O)NCc1ccc(cc1)C#N Amb19040834 [0,2,0,0,0,0|1,0,1]=4 2976 B14R1.5 COC(=O)\C=C/c1ccc(cc1)C#N Amb10808002 [0,2,0,0,0,0|0,0,0]=2 2977 B14R1.5 COC(=O)\C=C\c1ccc(cc1)CC Amb2407737 [0,2,0,0,0,0|0,0,0]=2 2978 B14R1.5 COC(=O)\C=C\c1ccc(cc1)NN Amb24515138 [0,2,0,0,0,0|0,0,0]=2 2979 B14R1.5 COC(=O)\C=C\c1ccc(cc1)SC Amb16494115 [0,2,0,0,0,0|0,0,0]=2 2980 B14R1.5 COC(=O)\N=C/c1ccc(cc1)C#N Amb25195265 [0,2,0,0,0,0|1,0,0]=3 2981 B14R1.5 COc1ccc(\C=C\C(=O)OC)[n][n]1 Amb23586405 [0,2,0,0,0,0|2,0,0]=4 2982 B14R1.5 COc1ccc(cc1)C#CC(=O)OC Amb22001786 [0,2,0,0,0,0|0,0,2]=4 2983 B14R1.5 COc1ccc(cc1)\C=C\C(=O)C=C Amb20248601 [0,2,0,0,0,0|1,0,1]=4 2984 B14R1.5 OCc1ccc(cc1)OCC(=O)OC Amb1010441 [0,2,0,0,0,0|1,0,1]=4 2985 B14R1.5 ONC(=O)\C=C\c1ccc(cc1)C=O Amb24580414 [0,2,0,0,0,0|2,0,0]=4 2986 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C Amb1808222 [0,2,0,0,0,0|2,0,0]=4 2987 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl Amb1856171 [0,2,0,0,0,0|2,0,0]=4 2988 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F Amb1931362 [0,2,0,0,0,0|2,0,0]=4 2989 B14R1.134 CNC(=S)\C(\C)=C\c1ccc(C)cc1 Amb25104845 [0,2,0,0,0,0|1,1,0]=4 2990 B14R1.134 COC(=O)C(=O)Cc1ccc(cc1)Br Amb17162561 [0,2,0,0,0,0|0,0,1]=3 2991 B14R1.134 COC(=O)C(=O)Cc1ccc(cc1)C Amb17139342 [0,2,0,0,0,0|0,0,1]=3 2992 B14R1.134 COC(=O)C(=O)Cc1ccc(cc1)Cl Amb17140710 [0,2,0,0,0,0|0,0,1]=3 2993 B14R1.134 COC(=O)C(=O)Cc1ccc(cc1)F Amb17139585 [0,2,0,0,0,0|0,0,1]=3 2994 B14R1.134 COC(=O)C(=O)NC1=CNC(=O)C=C1 Amb25029313 [0,2,0,0,0,0|2,0,0]=4 2995 B14R1.134 COC(=O)C(=O)Nc1ccc(Br)c[n]1 Amb25331380 [0,2,0,0,0,0|2,0,0]=4 2996 B14R1.134 COC(=O)C(=O)Nc1ccc(Br)cc1 Amb25693653 [0,2,0,0,0,0|1,0,0]=3 2997 B14R1.134 COC(=O)C(=O)Nc1ccc(F)c[n]1 Amb24095898 [0,2,0,0,0,0|2,0,0]=4 2998 B14R1.134 COC(=O)C(=O)Nc1ccc(I)cc1 Amb24644865 [0,2,0,0,0,0|1,0,0]=3 2999 B14R1.134 COC(=O)C(=O)Nc1ccc(cn1)Cl Amb10071055 [0,2,0,0,0,0|2,0,0]=4 3000 B14R1.134 COC(=O)C(C)Cc1ccc(C)cc1 Amb17844107 [0,2,0,0,0,0|0,0,2]=4 3001 B14R1.134 COC(=O)C(C)Nc1ccc(Br)cc1 Amb20628639 [0,2,0,0,0,0|1,0,1]=4 3002 B14R1.134 COC(=O)C(C)Nc1ccc(Cl)cc1 Amb19018827 [0,2,0,0,0,0|1,0,1]=4 3003 B14R1.134 COC(=O)C(C)Nc1ccc(F)cc1 Amb18307969 [0,2,0,0,0,0|1,0,1]=4 3004 B14R1.134 COC(=O)C(C)Nc1ccc(I)cc1 Amb25200887 [0,2,0,0,0,0|1,0,1]=4 3005 B14R1.134 COC(=O)C(C)Nc1ccc(N)cc1 Amb19017407 [0,2,0,0,0,0|1,0,1]=4 3006 B14R1.134 COC(=O)C(C)Nc1ccc(O)cc1 Amb25091338 [0,2,0,0,0,0|1,0,1]=4 3007 B14R1.134 COC(=O)C(C)Sc1ccc(Cl)cc1 Amb22802820 [0,2,0,0,0,0|1,0,1]=4 3008 B14R1.134 COC(=O)C(Cc1ccc(cc1)Br)Cl Amb17204951 [0,2,0,0,0,0|0,0,2]=4 3009 B14R1.134 COC(=O)C(Cc1ccc(cc1)Br)N Amb17415249 [0,2,0,0,0,0|0,0,2]=4 3010 B14R1.134 COC(=O)C(Cc1ccc(cc1)Br)O Amb17163100 [0,2,0,0,0,0|0,0,2]=4 3011 B14R1.134 COC(=O)C(Cc1ccc(cc1)C)Cl Amb17204448 [0,2,0,0,0,0|0,0,2]=4 3012 B14R1.134 COC(=O)C(Cc1ccc(cc1)C)N Amb17401774 [0,2,0,0,0,0|0,0,2]=4 3013 B14R1.134 COC(=O)C(Cc1ccc(cc1)C)O Amb17139450 [0,2,0,0,0,0|0,0,2]=4 3014 B14R1.134 COC(=O)C(Cc1ccc(cc1)Cl)Cl Amb17204593 [0,2,0,0,0,0|0,0,2]=4 3015 B14R1.134 COC(=O)C(Cc1ccc(cc1)Cl)N Amb2228449 [0,2,0,0,0,0|0,0,2]=4 3016 B14R1.134 COC(=O)C(Cc1ccc(cc1)Cl)O Amb17140888 [0,2,0,0,0,0|0,0,2]=4 3017 B14R1.134 COC(=O)C(Cc1ccc(cc1)F)Cl Amb17204463 [0,2,0,0,0,0|0,0,2]=4 3018 B14R1.134 COC(=O)C(Cc1ccc(cc1)F)N Amb17402183 [0,2,0,0,0,0|0,0,2]=4 3019 B14R1.134 COC(=O)C(Cc1ccc(cc1)F)O Amb17139694 [0,2,0,0,0,0|0,0,2]=4 3020 B14R1.134 COC(=O)C(Cc1ccc(cc1)O)N Amb1210958 [0,2,0,0,0,0|0,0,2]=4 3021 B14R1.134 COC(=O)C(N)Cc1ccc(Br)cc1 Amb17943431 [0,2,0,0,0,0|0,0,2]=4 3022 B14R1.134 COC(=O)C(O)Cc1ccc(O)cc1 Amb18652328 [0,2,0,0,0,0|0,0,2]=4 3023 B14R1.134 COC(=O)C(Oc1ccc(cc1)N)C Amb17109999 [0,2,0,0,0,0|1,0,1]=4 3024 B14R1.134 COC(=O)C(Oc1ccc(cc1)O)C Amb2423203 [0,2,0,0,0,0|1,0,1]=4 3025 B14R1.134 COC(=O)C([NH3+])Cc1ccc(Cl)cc1 Amb22492774 [0,2,0,0,0,0|0,0,2]=4 3026 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(F)cc1 Amb22745758 [0,2,0,0,0,0|0,0,2]=4 3027 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(I)cc1 Amb22226738 [0,2,0,0,0,0|0,0,2]=4 3028 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(N)cc1 Amb22746725 [0,2,0,0,0,0|0,0,2]=4 3029 B14R1.134 COC(=O)[C@@H](O)Cc1ccc(F)cc1 Amb22747622 [0,2,0,0,0,0|0,0,2]=4 3030 B14R1.134 COC(=O)[C@@H](O)Cc1ccc(O)cc1 Amb22747623 [0,2,0,0,0,0|0,0,2]=4 3031 B14R1.134 COC(=O)[C@H](N)Cc1ccc(O)cc1 Amb19944299 [0,2,0,0,0,0|0,0,2]=4 3032 B14R1.134 COC(=O)[C@H](O)Cc1ccc(F)cc1 Amb17935903 [0,2,0,0,0,0|0,0,2]=4 3033 B14R1.134 COC(=O)\C(\N)=C\c1ccc(Cl)cc1 Amb25743045 [0,2,0,0,0,0|0,0,0]=2 3034 B14R1.134 COC(=O)\C(\N)=C\c1ccc(O)cc1 Amb18651414 [0,2,0,0,0,0|0,0,0]=2 3035 B14R1.134 COC(=O)\C(\O)=C/c1ccc(O)cc1 Amb24422360 [0,2,0,0,0,0|0,0,0]=2 3036 B14R1.134 COC(=O)\C(\O)=C\c1ccc(O)cc1 Amb25262758 [0,2,0,0,0,0|0,0,0]=2 3037 B14R1.134 COC(=O)\C(\S)=C/c1ccc(O)cc1 Amb24380870 [0,2,0,0,0,0|0,0,0]=2 3038 B14R1.134 COC(=O)\C(\S)=C\c1ccc(O)cc1 Amb25366564 [0,2,0,0,0,0|0,0,0]=2 3039 B14R1.134 C\C(=C/c1ccc(F)cc1)\C(=O)CC Amb22738967 [0,2,0,0,0,0|1,0,0]=3 3040 B14R1.134 C\C(=C/c1ccc(N)[n]c1)\C(=O)OC Amb25844013 [0,2,0,0,0,0|1,0,0]=3 3041 B14R1.134 C\C(=C/c1ccc(N)cc1)\C(=O)OC Amb25664150 [0,2,0,0,0,0|0,0,0]=2 3042 B14R1.134 C\C(=C/c1ccc(O)cc1)\C(=O)OC Amb25767747 [0,2,0,0,0,0|0,0,0]=2 3043 B14R1.134 C\C(=C\c1ccc(O)cc1)\C(=O)OC Amb25087135 [0,2,0,0,0,0|0,0,0]=2 3044 B14R1.134 Cc1ccc(NC(=O)C(=O)OC)[n]c1 Amb25665775 [0,2,0,0,0,0|2,0,0]=4 3045 B14R1.134 Cc1ccc(cc1)NC(=O)C(=O)CC Amb25110053 [0,2,0,0,0,0|2,0,0]=4 3046 B14R1.134 Cc1ccc(cc1)N[C@H](C)C(=O)OC Amb25075902 [0,2,0,0,0,0|1,0,1]=4 3047 B14R1.293 CCS(=O)(=O)\C=C\c1ccc(Br)cc1 Amb23449957 [0,2,0,0,0,0|2,0,0]=4 3048 B14R1.293 CCS(=O)(=O)\C=C\c1ccc(Cl)cc1 Amb23449963 [0,2,0,0,0,0|2,0,0]=4 3049 B14R1.293 CCS(=O)(=O)\C=C\c1ccc(F)cc1 Amb23449969 [0,2,0,0,0,0|2,0,0]=4 3050 B14R1.293 CCS(=O)(=O)\C=C\c1ccc(N)cc1 Amb23449960 [0,2,0,0,0,0|2,0,0]=4 3051 B14R1.293 CNS(=O)(=O)\C=C\c1ccc(cc1)Cl Amb144115 [0,2,0,0,0,0|2,0,0]=4 3052 B14R1.293 Cc1ccc(\C=C\S(=O)(=O)CC)cc1 Amb23449968 [0,2,0,0,0,0|2,0,0]=4 3053 B14R1.293 Cc1ccc(\C=C\S(=O)(=O)O[K])cc1 Amb20248386 [0,2,0,0,0,0|2,0,0]=4 3054 B14R1.293 O=S(=O)(\C=C\c1ccc(Cl)cc1)O[K] Amb20248387 [0,2,0,0,0,0|2,0,0]=4 3055 B14R1.502 C#CCC(=O)\C=C\c1ccc(N)cc1 Amb24377384 [0,2,0,0,0,0|1,0,1]=4 3056 B14R1.502 CCNC(=O)/C=C/c1ccc(C)cc1 Amb17868654 [0,2,0,0,0,0|1,0,0]=3 3057 B14R1.502 CCNC(=O)/C=C/c1ccc(Cl)cc1 Amb17775297 [0,2,0,0,0,0|1,0,0]=3 3058 B14R1.502 CCNC(=O)/C=C/c1ccc(F)cc1 Amb17859931 [0,2,0,0,0,0|1,0,0]=3 3059 B14R1.502 CCNC(=O)\C=C\c1ccc(O)cc1 Amb24336027 [0,2,0,0,0,0|1,0,0]=3 3060 B14R1.502 CCOC(=O)C#Cc1ccc(Br)cc1 Amb24643932 [0,2,0,0,0,0|0,0,2]=4 3061 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 Amb19515859 [0,2,0,0,0,0|0,0,2]=4 3062 B14R1.502 CCOC(=O)C#Cc1ccc(F)cc1 Amb25814599 [0,2,0,0,0,0|0,0,2]=4 3063 B14R1.502 CCOC(=O)C#Cc1ccc(O)cc1 Amb25042066 [0,2,0,0,0,0|0,0,2]=4 3064 B14R1.502 CCOC(=O)C=Cc1ccc(Cl)[n]c1 Amb24097721 [0,2,0,0,0,0|1,0,0]=3 3065 B14R1.502 CCOC(=O)C=Cc1ccc(Cl)cc1 Amb24078556 [0,2,0,0,0,0|0,0,0]=2 3066 B14R1.502 CCOC(=O)C=Cc1ccc(F)cc1 Amb24089413 [0,2,0,0,0,0|0,0,0]=2 3067 B14R1.502 CCOC(=O)CCc1ccc(Cl)cc1 Amb21962138 [0,2,0,0,0,0|0,0,2]=4 3068 B14R1.502 CCOC(=O)CCc1ccc(F)cc1 Amb21962143 [0,2,0,0,0,0|0,0,2]=4 3069 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19042046 [0,2,0,0,0,0|0,0,2]=4 3070 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19349650 [0,2,0,0,0,0|0,0,2]=4 3071 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br Amb15692691 [0,2,0,0,0,0|0,0,2]=4 3072 B14R1.502 CCOC(=O)CNc1ccc(I)cc1 Amb22282335 [0,2,0,0,0,0|1,0,1]=4 3073 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br Amb1798245 [0,2,0,0,0,0|1,0,1]=4 3074 B14R1.502 CCOC(=O)CNc1ccc(cc1)F Amb1649074 [0,2,0,0,0,0|1,0,1]=4 3075 B14R1.502 CCOC(=O)CNc1ccc(cc1)I Amb1003062 [0,2,0,0,0,0|1,0,1]=4 3076 B14R1.502 CCOC(=O)COc1ccc(O)cc1 Amb18652309 [0,2,0,0,0,0|1,0,1]=4 3077 B14R1.502 CCOC(=O)COc1ccc(cc1)Br Amb1019625 [0,2,0,0,0,0|1,0,1]=4 3078 B14R1.502 CCOC(=O)COc1ccc(cc1)N Amb1121477 [0,2,0,0,0,0|1,0,1]=4 3079 B14R1.502 CCOC(=O)CSc1ccc(cc1)C Amb2436495 [0,2,0,0,0,0|1,0,1]=4 3080 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl Amb2439238 [0,2,0,0,0,0|1,0,1]=4 3081 B14R1.502 CCOC(=O)CSc1ccc(cc1)O Amb2439237 [0,2,0,0,0,0|1,0,1]=4 3082 B14R1.502 CCOC(=O)NCc1ccc(Br)cc1 Amb22452221 [0,2,0,0,0,0|1,0,1]=4 3083 B14R1.502 CCOC(=O)NNc1ccc(Br)cc1 Amb22485020 [0,2,0,0,0,0|2,0,0]=4 3084 B14R1.502 CCOC(=O)NNc1ccc(N)cc1 Amb25109171 [0,2,0,0,0,0|2,0,0]=4 3085 B14R1.502 CCOC(=O)\C=C/c1ccc(Cl)cc1 Amb23504475 [0,2,0,0,0,0|0,0,0]=2 3086 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)N Amb1197562 [0,2,0,0,0,0|0,0,0]=2 3087 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)O Amb2445150 [0,2,0,0,0,0|0,0,0]=2 3088 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)S Amb17614100 [0,2,0,0,0,0|0,0,0]=2 3089 B14R1.502 CCOC(=O)\C=N\c1ccc(Br)cc1 Amb20241622 [0,2,0,0,0,0|1,0,0]=3 3090 B14R1.502 COCC(=O)NCc1ccc(F)cc1 Amb19526738 [0,2,0,0,0,0|1,0,1]=4 3091 B14R1.502 CONC(=O)C=Cc1ccc(F)cc1 Amb19241888 [0,2,0,0,0,0|0,0,0]=2 3092 B14R1.502 CONC(=O)CCc1ccc(Cl)cc1 Amb20892818 [0,2,0,0,0,0|0,0,2]=4 3093 B14R1.502 CONC(=O)CCc1ccc(cc1)C Amb13994098 [0,2,0,0,0,0|0,0,2]=4 3094 B14R1.502 CONC(=O)CNc1ccc(Cl)cc1 Amb25087023 [0,2,0,0,0,0|1,0,1]=4 3095 B14R1.502 CONC(=O)CNc1ccc(F)cc1 Amb25100032 [0,2,0,0,0,0|1,0,1]=4 3096 B14R1.502 CONC(=O)CNc1ccc(I)cc1 Amb25319643 [0,2,0,0,0,0|1,0,1]=4 3097 B14R1.502 CONC(=O)COc1ccc(cc1)I Amb11261162 [0,2,0,0,0,0|1,0,1]=4 3098 B14R1.502 CONC(=O)CSc1ccc(F)cc1 Amb20813802 [0,2,0,0,0,0|1,0,1]=4 3099 B14R1.502 CONC(=O)\C=C\c1ccc(O)cc1 Amb25072920 [0,2,0,0,0,0|0,0,0]=2 3100 B14R1.502 Cc1ccc(C=C\C(\C)=C/CO)cc1 Amb25763932 [0,2,0,0,0,0|2,0,0]=4 3101 B14R1.502 Cc1ccc(CCC(=O)OCC)cc1 Amb19073887 [0,2,0,0,0,0|0,0,2]=4 3102 B14R1.502 Cc1ccc(\C=C\C(=O)N=[N+]=[N-])cc1 Amb22055753 [0,2,0,0,0,0|2,0,0]=4 3103 B14R1.502 Cc1ccc(\C=C\C(=O)NOC)cc1 Amb25205472 [0,2,0,0,0,0|0,0,0]=2 3104 B14R1.502 Cc1ccc(cc1)C#CC(=O)OCC Amb25205982 [0,2,0,0,0,0|0,0,2]=4 3105 B14R1.502 Cc1ccc(cc1)NCC(=O)NOC Amb25714103 [0,2,0,0,0,0|1,0,1]=4 3106 B14R1.502 Cc1ccc(cc1)SCC(=O)NOC Amb21423888 [0,2,0,0,0,0|1,0,1]=4 3107 B14R1.502 Nc1ccc(\C=C\C(=O)NC#N)cc1 Amb25137494 [0,2,0,0,0,0|1,0,1]=4 3108 B14R1.502 [N-]=[N+]=NC(=O)\C=C\c1ccc(Cl)cc1 Amb24595923 [0,2,0,0,0,0|2,0,0]=4 3109 B14R1.529 CC\C(\C=O)=C/Nc1ccc(Cl)cc1 Amb18656668 [0,2,0,0,0,0|2,0,0]=4 3110 B14R1.529 Cc1ccc(cc1)N\C=C(/CC)\C=O Amb18650253 [0,2,0,0,0,0|2,0,0]=4 3111 B14R1.679 CC(C)C(=O)\C=C\c1ccc(Br)cc1 Amb25038254 [0,2,0,0,0,0|1,0,0]=3 3112 B14R1.679 CC(C)C(=O)\C=C\c1ccc(O)cc1 Amb25134105 [0,2,0,0,0,0|1,0,0]=3 3113 B14R1.679 CN(C(=O)\C=C\c1ccc(cc1)Cl)C Amb2343408 [0,2,0,0,0,0|1,0,0]=3 3114 B14R1.679 CN(C)C(=O)\C=C\c1ccc(F)cc1 Amb24059350 [0,2,0,0,0,0|1,0,0]=3 3115 B14R1.679 CN(C)C(=O)\C=C\c1ccc(O)cc1 Amb18650810 [0,2,0,0,0,0|1,0,0]=3 3116 B14R1.679 O=C(C(=O)O)\C=C\c1ccc(cc1)Br Amb17473509 [0,2,0,0,0,0|2,0,0]=4 3117 B14R1.679 O=C(C(=O)O)\C=C\c1ccc(cc1)C Amb17470740 [0,2,0,0,0,0|2,0,0]=4 3118 B14R1.679 O=C(C(=O)O)\C=C\c1ccc(cc1)Cl Amb2444591 [0,2,0,0,0,0|2,0,0]=4 3119 B14R1.679 O=C(C(=O)O)\C=C\c1ccc(cc1)F Amb17470867 [0,2,0,0,0,0|2,0,0]=4 3120 B14R1.679 OC(=O)C(=O)\C=C\c1ccc(I)cc1 Amb24648526 [0,2,0,0,0,0|2,0,0]=4 3121 B14R1.679 OC(=O)C(=O)\C=C\c1ccc(O)cc1 Amb24730165 [0,2,0,0,0,0|2,0,0]=4 3122 B14R1.679 [O-]C(=O)C(=O)\C=C\c1ccc(Cl)cc1 Amb22434319 [0,2,0,0,0,0|2,0,0]=4 3123 B14R1.727 CNC(=O)C=Cc1ccc(C)cc1C Amb20637048 [0,2,0,0,0,0|1,0,0]=3 3124 B14R1.727 CNC(=O)\C=C\c1ccc(cc1Cl)Cl Amb11217724 [0,2,0,0,0,0|1,0,0]=3 3125 B14R1.727 COC(=O)CCc1ccc(O)cc1O Amb18940295 [0,2,0,0,0,0|0,0,2]=4 3126 B14R1.727 COC(=O)CCc1ccc(cc1C)C Amb17401645 [0,2,0,0,0,0|0,0,2]=4 3127 B14R1.727 COC(=O)CCc1ccc(cc1Cl)Cl Amb17408129 [0,2,0,0,0,0|0,0,2]=4 3128 B14R1.727 COC(=O)CNc1ccc(Br)cc1Br Amb25663880 [0,2,0,0,0,0|1,0,1]=4 3129 B14R1.727 COC(=O)CNc1ccc(Cl)cc1Br Amb25322980 [0,2,0,0,0,0|1,0,1]=4 3130 B14R1.727 COC(=O)CNc1ccc(Cl)cc1F Amb19015448 [0,2,0,0,0,0|1,0,1]=4 3131 B14R1.727 COC(=O)CNc1ccc(Cl)cc1I Amb25765479 [0,2,0,0,0,0|1,0,1]=4 3132 B14R1.727 COC(=O)CNc1ccc(F)cc1I Amb25664832 [0,2,0,0,0,0|1,0,1]=4 3133 B14R1.727 COC(=O)CNc1ccc(I)cc1Cl Amb25033185 [0,2,0,0,0,0|1,0,1]=4 3134 B14R1.727 COC(=O)CNc1ccc(I)cc1N Amb24498880 [0,2,0,0,0,0|1,0,1]=4 3135 B14R1.727 COC(=O)CNc1ccc(N)cc1Br Amb24665413 [0,2,0,0,0,0|1,0,1]=4 3136 B14R1.727 COC(=O)CNc1ccc(N)cc1I Amb24469128 [0,2,0,0,0,0|1,0,1]=4 3137 B14R1.727 COC(=O)COc1ccc(N)cc1O Amb24095874 [0,2,0,0,0,0|1,0,1]=4 3138 B14R1.727 COC(=O)COc1ccc(cc1C)Cl Amb2473138 [0,2,0,0,0,0|1,0,1]=4 3139 B14R1.727 COC(=O)NCc1ccc(F)cc1F Amb25092580 [0,2,0,0,0,0|1,0,1]=4 3140 B14R1.727 COC(=O)NCc1ccc(cc1Cl)Cl Amb2154108 [0,2,0,0,0,0|1,0,1]=4 3141 B14R1.727 COC(=O)\C=C\c1[n]cc(Cl)[n]c1N Amb25056928 [0,2,0,0,0,0|2,0,0]=4 3142 B14R1.727 COC(=O)\C=C\c1[n]cc(Cl)cc1N Amb24743841 [0,2,0,0,0,0|1,0,0]=3 3143 B14R1.727 COC(=O)\C=C\c1ccc(Br)cc1Cl Amb24730946 [0,2,0,0,0,0|0,0,0]=2 3144 B14R1.727 COC(=O)\C=C\c1ccc(Br)cc1F Amb24626815 [0,2,0,0,0,0|0,0,0]=2 3145 B14R1.727 COC(=O)\C=C\c1ccc(Br)cc1N Amb24518606 [0,2,0,0,0,0|0,0,0]=2 3146 B14R1.727 COC(=O)\C=C\c1ccc(Cl)cc1Cl Amb20527695 [0,2,0,0,0,0|0,0,0]=2 3147 B14R1.727 COC(=O)\C=C\c1ccc(F)cc1Cl Amb24395635 [0,2,0,0,0,0|0,0,0]=2 3148 B14R1.727 COC(=O)\C=C\c1ccc(F)cc1N Amb25362255 [0,2,0,0,0,0|0,0,0]=2 3149 B14R1.727 COC(=O)\C=C\c1ccc(F)cc1O Amb25773350 [0,2,0,0,0,0|0,0,0]=2 3150 B14R1.727 COC(=O)\C=C\c1ccc(N)cc1Cl Amb24547004 [0,2,0,0,0,0|0,0,0]=2 3151 B14R1.727 COC(=O)\C=C\c1ccc(O)cc1Cl Amb24634524 [0,2,0,0,0,0|0,0,0]=2 3152 B14R1.727 COC(=O)\C=C\c1ccc(nc1Cl)Br Amb13889854 [0,2,0,0,0,0|1,0,0]=3 3153 B14R1.727 Cc1[n]c(N)ccc1\C=C\C(=O)OC Amb24695169 [0,2,0,0,0,0|1,0,0]=3 3154 B14R1.727 Cc1cc(Br)ccc1OCC(=O)OC Amb24092477 [0,2,0,0,0,0|1,0,1]=4 3155 B14R1.727 Cc1cc(Br)ccc1\C=C\C(=O)OC Amb25210619 [0,2,0,0,0,0|0,0,0]=2 3156 B14R1.727 Cc1cc(C)ccc1\C=C\C(=O)CCl Amb25183533 [0,2,0,0,0,0|2,0,0]=4 3157 B14R1.727 Cc1cc(N)ccc1\C=C\C(=O)OC Amb18650802 [0,2,0,0,0,0|0,0,0]=2 3158 B14R1.727 Cc1cc(O)ccc1CCC(=O)OC Amb18651801 [0,2,0,0,0,0|0,0,2]=4 3159 B14R1.727 Cc1cc(O)ccc1OCC(=O)OC Amb22497406 [0,2,0,0,0,0|1,0,1]=4 3160 B14R1.727 Cc1ccc(C#CC(=O)OC)c(Br)c1 Amb25035744 [0,2,0,0,0,0|0,0,2]=4 3161 B14R1.727 Cc1ccc(C#CC(=O)OC)c(Cl)c1 Amb24464150 [0,2,0,0,0,0|0,0,2]=4 3162 B14R1.727 Cc1ccc(C#CC(=O)OC)c(F)c1 Amb25089965 [0,2,0,0,0,0|0,0,2]=4 3163 B14R1.727 Cc1ccc(CNC(=O)OC)c(C)c1 Amb24452605 [0,2,0,0,0,0|1,0,1]=4 3164 B14R1.727 Cc1ccc(\C=C\C(=O)NC)c(Br)c1 Amb24335898 [0,2,0,0,0,0|1,0,0]=3 3165 B14R1.727 Cc1ccc(\C=C\C(=O)OC)c(Br)c1 Amb25752789 [0,2,0,0,0,0|0,0,0]=2 3166 B14R1.727 Cc1ccc(\C=C\C(=O)OC)c(F)c1 Amb25313400 [0,2,0,0,0,0|0,0,0]=2 3167 B14R1.727 Cc1ccc(\C=C\C(=O)OC)c(N)c1 Amb25326792 [0,2,0,0,0,0|0,0,0]=2 3168 B14R1.727 NNC(=O)\C=C\c1ccc(cc1Cl)Cl Amb2422939 [0,2,0,0,0,0|2,0,0]=4 3169 B14R1.727 Nc1cc(Cl)ccc1\C=C\C(=O)NO Amb24560985 [0,2,0,0,0,0|2,0,0]=4 3170 B14R1.727 O=C(CCl)\C=C\c1ccc(Cl)cc1Cl Amb24521168 [0,2,0,0,0,0|2,0,0]=4 3171 B14R1.727 O=C(\C=C\c1ccc(F)cc1F)O[*] Amb20246952 [0,2,0,0,0,0|1,0,0]=3 3172 B14R1.833 CNC(=O)\C=C\c1ccc(F)c(Cl)c1 Amb25307757 [0,2,0,0,0,0|1,0,0]=3 3173 B14R1.833 CNC(=O)\C=C\c1ccc(O)c(O)c1 Amb24512838 [0,2,0,0,0,0|1,0,0]=3 3174 B14R1.833 CNC(=O)\C=C\c1ccc(c(c1)Cl)C Amb11217660 [0,2,0,0,0,0|1,0,0]=3 3175 B14R1.833 CNC(=O)\C=C\c1ccc(c(c1)Cl)Cl Amb11217530 [0,2,0,0,0,0|1,0,0]=3 3176 B14R1.833 CNC(=O)\C=C\c1ccc(c(c1)N)C Amb17139256 [0,2,0,0,0,0|1,0,0]=3 3177 B14R1.833 CNC(=O)\C=C\c1ccc(c(c1)N)Cl Amb17140548 [0,2,0,0,0,0|1,0,0]=3 3178 B14R1.833 CNC(=O)\C=C\c1ccc(c(c1)N)F Amb17139444 [0,2,0,0,0,0|1,0,0]=3 3179 B14R1.833 COC(=O)C#Cc1cc(Br)c(Cl)cc1 Amb25813455 [0,2,0,0,0,0|0,0,2]=4 3180 B14R1.833 COC(=O)C#Cc1cc(Cl)c(F)cc1 Amb24683762 [0,2,0,0,0,0|0,0,2]=4 3181 B14R1.833 COC(=O)CCc1cc(F)c(F)cc1 Amb18942896 [0,2,0,0,0,0|0,0,2]=4 3182 B14R1.833 COC(=O)CCc1ccc(c(c1)Cl)Cl Amb17408130 [0,2,0,0,0,0|0,0,2]=4 3183 B14R1.833 COC(=O)CCc1ccc(c(c1)Cl)O Amb17509215 [0,2,0,0,0,0|0,0,2]=4 3184 B14R1.833 COC(=O)CCc1ccc(c(c1)N)C Amb13950420 [0,2,0,0,0,0|0,0,2]=4 3185 B14R1.833 COC(=O)CNc1ccc(Br)c(Cl)c1 Amb24368128 [0,2,0,0,0,0|1,0,1]=4 3186 B14R1.833 COC(=O)CNc1ccc(Br)c(I)c1 Amb24534977 [0,2,0,0,0,0|1,0,1]=4 3187 B14R1.833 COC(=O)CNc1ccc(Cl)c(F)c1 Amb19015650 [0,2,0,0,0,0|1,0,1]=4 3188 B14R1.833 COC(=O)CNc1ccc(F)c(Br)c1 Amb25112247 [0,2,0,0,0,0|1,0,1]=4 3189 B14R1.833 COC(=O)CNc1ccc(F)c(Cl)c1 Amb21690435 [0,2,0,0,0,0|1,0,1]=4 3190 B14R1.833 COC(=O)CNc1ccc(I)c(Br)c1 Amb24680785 [0,2,0,0,0,0|1,0,1]=4 3191 B14R1.833 COC(=O)CNc1ccc(N)c(N)c1 Amb25677587 [0,2,0,0,0,0|1,0,1]=4 3192 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C Amb1814351 [0,2,0,0,0,0|1,0,1]=4 3193 B14R1.833 COC(=O)COc1ccc(Br)c(N)c1 Amb23555867 [0,2,0,0,0,0|1,0,1]=4 3194 B14R1.833 COC(=O)COc1ccc(Cl)c(N)c1 Amb23555871 [0,2,0,0,0,0|1,0,1]=4 3195 B14R1.833 COC(=O)COc1ccc(S)c(Cl)c1 Amb24092470 [0,2,0,0,0,0|1,0,1]=4 3196 B14R1.833 COC(=O)COc1ccc(c(c1)C)N Amb1113989 [0,2,0,0,0,0|1,0,1]=4 3197 B14R1.833 COC(=O)NCc1cc(F)c(F)cc1 Amb25853275 [0,2,0,0,0,0|1,0,1]=4 3198 B14R1.833 COC(=O)\C=C\c1cc(Br)c(Br)cc1 Amb25195216 [0,2,0,0,0,0|0,0,0]=2 3199 B14R1.833 COC(=O)\C=C\c1ccc(Br)c(Cl)c1 Amb25826841 [0,2,0,0,0,0|0,0,0]=2 3200 B14R1.833 COC(=O)\C=C\c1ccc(Br)c(F)c1 Amb25134561 [0,2,0,0,0,0|0,0,0]=2 3201 B14R1.833 COC(=O)\C=C\c1ccc(Cl)c(Br)c1 Amb24389000 [0,2,0,0,0,0|0,0,0]=2 3202 B14R1.833 COC(=O)\C=C\c1ccc(N)c(N)c1 Amb22284422 [0,2,0,0,0,0|0,0,0]=2 3203 B14R1.833 COC(=O)\C=C\c1ccc(O)c(Br)c1 Amb18667890 [0,2,0,0,0,0|0,0,0]=2 3204 B14R1.833 COC(=O)\C=C\c1ccc(O)c(Cl)c1 Amb18657375 [0,2,0,0,0,0|0,0,0]=2 3205 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O Amb1094602 [0,2,0,0,0,0|0,0,0]=2 3206 B14R1.833 Cc1cc(CCC(=O)OC)ccc1Br Amb18277188 [0,2,0,0,0,0|0,0,2]=4 3207 B14R1.833 Cc1cc(CCC(=O)OC)ccc1C Amb18941462 [0,2,0,0,0,0|0,0,2]=4 3208 B14R1.833 Cc1cc(CCC(=O)OC)ccc1Cl Amb18942764 [0,2,0,0,0,0|0,0,2]=4 3209 B14R1.833 Cc1cc(CCC(=O)OC)ccc1F Amb18940747 [0,2,0,0,0,0|0,0,2]=4 3210 B14R1.833 Cc1cc(CCC(=O)OC)ccc1O Amb20621633 [0,2,0,0,0,0|0,0,2]=4 3211 B14R1.833 Cc1cc(\C=C\C(=O)CCl)ccc1F Amb24392404 [0,2,0,0,0,0|2,0,0]=4 3212 B14R1.833 Cc1cc(\C=C\C(=O)OC)ccc1Br Amb25724563 [0,2,0,0,0,0|0,0,0]=2 3213 B14R1.833 Cc1cc(\C=C\C(=O)OC)ccc1O Amb25785637 [0,2,0,0,0,0|0,0,0]=2 3214 B14R1.833 Cc1cc(ccc1Br)NNC(=O)OC Amb24528272 [0,2,0,0,0,0|2,0,0]=4 3215 B14R1.833 Cc1cc(ccc1Cl)NCC(=O)OC Amb20671653 [0,2,0,0,0,0|1,0,1]=4 3216 B14R1.833 Cc1cc(ccc1F)NCC(=O)OC Amb19032151 [0,2,0,0,0,0|1,0,1]=4 3217 B14R1.833 Cc1ccc(\C=C\C(=O)OC)cc1Cl Amb25281369 [0,2,0,0,0,0|0,0,0]=2 3218 B14R1.833 Cc1ccc(cc1Br)NCC(=O)OC Amb25276970 [0,2,0,0,0,0|1,0,1]=4 3219 B14R1.833 Cc1ccc(cc1N)NCC(=O)OC Amb19034337 [0,2,0,0,0,0|1,0,1]=4 3220 B14R1.833 NNC(=O)\C=C\c1ccc(O)c(O)c1 Amb24722929 [0,2,0,0,0,0|2,0,0]=4 3221 B14R1.833 O=C(CCl)\C=C\c1cc(Cl)c(Cl)cc1 Amb25792546 [0,2,0,0,0,0|2,0,0]=4 3222 B14R1.833 O=C(CCl)\C=C\c1ccc(F)c(Br)c1 Amb25298858 [0,2,0,0,0,0|2,0,0]=4 3223 B14R1.833 ONC(=O)\C=C\c1ccc(O)c(O)c1 Amb24506220 [0,2,0,0,0,0|2,0,0]=4 3224 B14R1.15 CNC(=O)\C=C\c1cccc(c1Cl)Cl Amb11217637 [0,2,0,0,0,0|1,0,0]=3 3225 B14R1.15 COC(=O)C#Cc1cccc(Br)c1Cl Amb25083085 [0,2,0,0,0,0|0,0,2]=4 3226 B14R1.15 COC(=O)C#Cc1cccc(Br)c1F Amb25126519 [0,2,0,0,0,0|0,0,2]=4 3227 B14R1.15 COC(=O)C#Cc1cccc(Cl)c1F Amb24526263 [0,2,0,0,0,0|0,0,2]=4 3228 B14R1.15 COC(=O)C#Cc1cccc(F)c1Cl Amb25801560 [0,2,0,0,0,0|0,0,2]=4 3229 B14R1.15 COC(=O)CNc1cccc(F)c1Cl Amb25072226 [0,2,0,0,0,0|1,0,1]=4 3230 B14R1.15 COC(=O)CNc1cccc(F)c1F Amb19009368 [0,2,0,0,0,0|1,0,1]=4 3231 B14R1.15 COC(=O)CNc1cccc(F)c1N Amb19003277 [0,2,0,0,0,0|1,0,1]=4 3232 B14R1.15 COC(=O)COc1cccc(O)c1O Amb23483122 [0,2,0,0,0,0|1,0,1]=4 3233 B14R1.15 COC(=O)\C=C\c1cccc(Br)c1F Amb24639755 [0,2,0,0,0,0|0,0,0]=2 3234 B14R1.15 COC(=O)\C=C\c1cccc(C)c1C Amb25133283 [0,2,0,0,0,0|0,0,0]=2 3235 B14R1.15 COC(=O)\C=C\c1cccc(Cl)c1Br Amb25258507 [0,2,0,0,0,0|0,0,0]=2 3236 B14R1.15 COC(=O)\C=C\c1cccc(Cl)c1F Amb25679610 [0,2,0,0,0,0|0,0,0]=2 3237 B14R1.15 COC(=O)\C=C\c1cccc(F)c1F Amb24635466 [0,2,0,0,0,0|0,0,0]=2 3238 B14R1.15 COC(=O)\C=C\c1cccc(F)c1O Amb24452689 [0,2,0,0,0,0|0,0,0]=2 3239 B14R1.15 COC(=O)\C=C\c1cccc(O)c1Cl Amb24555834 [0,2,0,0,0,0|0,0,0]=2 3240 B14R1.15 COC(=O)\C=C\c1cccc(O)c1O Amb24567639 [0,2,0,0,0,0|0,0,0]=2 3241 B14R1.15 Cc1c(Br)cccc1NCC(=O)OC Amb24727788 [0,2,0,0,0,0|1,0,1]=4 3242 B14R1.15 Cc1c(F)cccc1NCC(=O)OC Amb19065605 [0,2,0,0,0,0|1,0,1]=4 3243 B14R1.15 Cc1c(N)cccc1CNC(=O)OC Amb25702188 [0,2,0,0,0,0|1,0,1]=4 3244 B14R1.15 Cc1c(N)cccc1NCC(=O)OC Amb18316252 [0,2,0,0,0,0|1,0,1]=4 3245 B14R1.15 Cc1c(cccc1Cl)C#CC(=O)OC Amb25665516 [0,2,0,0,0,0|0,0,2]=4 3246 B14R1.15 Cc1c(cccc1F)C#CC(=O)OC Amb24543239 [0,2,0,0,0,0|0,0,2]=4 3247 B14R1.15 Cc1cccc(C#CC(=O)OC)c1Br Amb25726253 [0,2,0,0,0,0|0,0,2]=4 3248 B14R1.15 Cc1cccc(C#CC(=O)OC)c1Cl Amb25803759 [0,2,0,0,0,0|0,0,2]=4 3249 B14R1.15 Cc1cccc(C#CC(=O)OC)c1F Amb24397268 [0,2,0,0,0,0|0,0,2]=4 3250 B14R1.15 Cc1cccc(NCC(=O)OC)c1Br Amb24446179 [0,2,0,0,0,0|1,0,1]=4 3251 B14R1.15 Cc1cccc(NCC(=O)OC)c1F Amb25214359 [0,2,0,0,0,0|1,0,1]=4 3252 B14R1.15 Cc1cccc(NCC(=O)OC)c1N Amb24348596 [0,2,0,0,0,0|1,0,1]=4 3253 B14R1.32 CCNC(=O)/C=C/c1cccc(Cl)c1 Amb17861655 [0,2,0,0,0,0|1,0,0]=3 3254 B14R1.32 CCNC(=O)\C=C\c1cccc(F)c1 Amb24411842 [0,2,0,0,0,0|1,0,0]=3 3255 B14R1.32 CCNC(=O)\C=C\c1cccc(c1)N Amb17139254 [0,2,0,0,0,0|1,0,0]=3 3256 B14R1.32 CCOC(=O)C#Cc1cc(Cl)ccc1 Amb24093911 [0,2,0,0,0,0|0,0,2]=4 3257 B14R1.32 CCOC(=O)C#Cc1cc(F)ccc1 Amb24063534 [0,2,0,0,0,0|0,0,2]=4 3258 B14R1.32 CCOC(=O)C#Cc1cc(N)ccc1 Amb25088348 [0,2,0,0,0,0|0,0,2]=4 3259 B14R1.32 CCOC(=O)C#Cc1cc(O)ccc1 Amb25814600 [0,2,0,0,0,0|0,0,2]=4 3260 B14R1.32 CCOC(=O)C=Cc1cc[n]c(Cl)c1 Amb24090593 [0,2,0,0,0,0|1,0,0]=3 3261 B14R1.32 CCOC(=O)C=Cc1cccc(N)c1 Amb24061861 [0,2,0,0,0,0|0,0,0]=2 3262 B14R1.32 CCOC(=O)CCc1cccc(Br)c1 Amb22232484 [0,2,0,0,0,0|0,0,2]=4 3263 B14R1.32 CCOC(=O)CCc1cccc(N)c1 Amb22396481 [0,2,0,0,0,0|0,0,2]=4 3264 B14R1.32 CCOC(=O)CCc1cccc(O)c1 Amb19515925 [0,2,0,0,0,0|0,0,2]=4 3265 B14R1.32 CCOC(=O)COc1cccc(c1)Cl Amb2574396 [0,2,0,0,0,0|1,0,1]=4 3266 B14R1.32 CCOC(=O)COc1cccc(c1)N Amb1119292 [0,2,0,0,0,0|1,0,1]=4 3267 B14R1.32 CCOC(=O)NNc1cc(N)ccc1 Amb25797768 [0,2,0,0,0,0|2,0,0]=4 3268 B14R1.32 CCOC(=O)\C=C\c1cc(F)cc[n]1 Amb22898931 [0,2,0,0,0,0|1,0,0]=3 3269 B14R1.32 CCOC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10553943 [0,2,0,0,0,0|1,0,0]=3 3270 B14R1.32 CCOC(=O)\C=C\c1cccc(Br)c1 Amb23504994 [0,2,0,0,0,0|0,0,0]=2 3271 B14R1.32 CCOC(=O)\C=C\c1cccc(Cl)c1 Amb23504715 [0,2,0,0,0,0|0,0,0]=2 3272 B14R1.32 CCOC(=O)\C=C\c1cccc(O)c1 Amb18651075 [0,2,0,0,0,0|0,0,0]=2 3273 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)C Amb10566723 [0,2,0,0,0,0|0,0,0]=2 3274 B14R1.32 COCC(=O)NCc1cccc(Br)c1 Amb19342675 [0,2,0,0,0,0|1,0,1]=4 3275 B14R1.32 COCC(=O)NCc1cccc(c1)C Amb13999455 [0,2,0,0,0,0|1,0,1]=4 3276 B14R1.32 COCC(=O)NNc1cc(Cl)ccc1 Amb19262827 [0,2,0,0,0,0|2,0,0]=4 3277 B14R1.32 CONC(=O)CCc1cccc(c1)Cl Amb16988906 [0,2,0,0,0,0|0,0,2]=4 3278 B14R1.32 CONC(=O)CNc1cc(Cl)ccc1 Amb24646082 [0,2,0,0,0,0|1,0,1]=4 3279 B14R1.32 CONC(=O)CNc1cc(F)ccc1 Amb24432020 [0,2,0,0,0,0|1,0,1]=4 3280 B14R1.32 CONC(=O)CNc1cc(I)ccc1 Amb25094200 [0,2,0,0,0,0|1,0,1]=4 3281 B14R1.32 CONC(=O)\C=C\c1cccc(N)c1 Amb25779106 [0,2,0,0,0,0|0,0,0]=2 3282 B14R1.32 CONC(=O)\C=C\c1cccc(c1)Br Amb11260940 [0,2,0,0,0,0|0,0,0]=2 3283 B14R1.32 CONC(=O)\C=C\c1cccc(c1)Cl Amb168265 [0,2,0,0,0,0|0,0,0]=2 3284 B14R1.32 Cc1cc(CCC(=O)OCC)ccc1 Amb19073886 [0,2,0,0,0,0|0,0,2]=4 3285 B14R1.32 Cc1cc(\C=C\C(=O)N=[N+]=[N-])ccc1 Amb25288232 [0,2,0,0,0,0|2,0,0]=4 3286 B14R1.32 Cc1cc(\C=C\C(=O)NC#N)ccc1 Amb24498812 [0,2,0,0,0,0|1,0,1]=4 3287 B14R1.32 Cc1cc(ccc1)C#CC(=O)OCC Amb24450274 [0,2,0,0,0,0|0,0,2]=4 3288 B14R1.32 Cc1cc(ccc1)NCC(=O)NOC Amb24632057 [0,2,0,0,0,0|1,0,1]=4 3289 B14R1.32 N#CNC(=O)\C=C\c1cccc(Br)c1 Amb24498723 [0,2,0,0,0,0|1,0,1]=4 3290 B14R1.32 [N-]=[N+]=NC(=O)\C=C\c1cccc(Cl)c1 Amb24366106 [0,2,0,0,0,0|2,0,0]=4 3291 B14R1.32 [N-]=[N+]=NC(=O)\C=C\c1cccc(F)c1 Amb22551093 [0,2,0,0,0,0|2,0,0]=4 3292 B14R1.77 CCc1cc(C=CC(=O)OC)ccc1 Amb24066665 [0,2,0,0,0,0|0,0,0]=2 3293 B14R1.77 CNC(=O)C=Cc1cc(ccc1)OC Amb19384441 [0,2,0,0,0,0|1,0,0]=3 3294 B14R1.77 CNC(=O)\C=C\c1cc(ccc1)OC Amb24335833 [0,2,0,0,0,0|1,0,0]=3 3295 B14R1.77 COC(=O)C#Cc1cc(ccc1)SC Amb24453944 [0,2,0,0,0,0|0,0,2]=4 3296 B14R1.77 COC(=O)CCc1cccc(CN)c1 Amb22047768 [0,2,0,0,0,0|0,0,2]=4 3297 B14R1.77 COC(=O)CCc1cccc(c1)CN Amb10808054 [0,2,0,0,0,0|0,0,2]=4 3298 B14R1.77 COC(=O)CCc1cccc(c1)OC Amb17401860 [0,2,0,0,0,0|0,0,2]=4 3299 B14R1.77 COC(=O)COc1cc(CBr)ccc1 Amb24095913 [0,2,0,0,0,0|1,0,1]=4 3300 B14R1.77 COC(=O)COc1cc(CN)ccc1 Amb19515170 [0,2,0,0,0,0|1,0,1]=4 3301 B14R1.77 COC(=O)COc1cccc(c1)CN Amb1116214 [0,2,0,0,0,0|1,0,1]=4 3302 B14R1.77 COC(=O)NCc1cc(ccc1)C#N Amb19040833 [0,2,0,0,0,0|1,0,1]=4 3303 B14R1.77 COC(=O)\C=C/c1cccc(c1)C#N Amb10808008 [0,2,0,0,0,0|0,0,0]=2 3304 B14R1.77 COC(=O)\C=C\c1cncc(c1)OC Amb13889782 [0,2,0,0,0,0|1,0,0]=3 3305 B14R1.77 COc1cc(ccc1)\C=C\C(=O)OC Amb22584287 [0,2,0,0,0,0|0,0,0]=2 3306 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C Amb1786276 [0,2,0,0,0,0|2,0,0]=4 3307 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl Amb1772795 [0,2,0,0,0,0|2,0,0]=4 3308 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F Amb1008328 [0,2,0,0,0,0|2,0,0]=4 3309 B14R1.135 COC(=O)C(=O)Cc1cccc(c1)Br Amb17162560 [0,2,0,0,0,0|0,0,1]=3 3310 B14R1.135 COC(=O)C(=O)Cc1cccc(c1)C Amb17139341 [0,2,0,0,0,0|0,0,1]=3 3311 B14R1.135 COC(=O)C(=O)Cc1cccc(c1)Cl Amb17140709 [0,2,0,0,0,0|0,0,1]=3 3312 B14R1.135 COC(=O)C(=O)Nc1c[n]cc(Br)c1 Amb24658245 [0,2,0,0,0,0|2,0,0]=4 3313 B14R1.135 COC(=O)C(=O)Nc1c[n]cc(F)c1 Amb24454224 [0,2,0,0,0,0|2,0,0]=4 3314 B14R1.135 COC(=O)C(=O)Nc1cccc(Br)c1 Amb24359229 [0,2,0,0,0,0|1,0,0]=3 3315 B14R1.135 COC(=O)C(=O)Nc1cccc(Cl)c1 Amb24687413 [0,2,0,0,0,0|1,0,0]=3 3316 B14R1.135 COC(=O)C(=O)Nc1cccc(I)c1 Amb25665663 [0,2,0,0,0,0|1,0,0]=3 3317 B14R1.135 COC(=O)C(C)Nc1cccc(Cl)c1 Amb18307968 [0,2,0,0,0,0|1,0,1]=4 3318 B14R1.135 COC(=O)C(C)Nc1cccc(F)c1 Amb19018826 [0,2,0,0,0,0|1,0,1]=4 3319 B14R1.135 COC(=O)C(C)Nc1cccc(N)c1 Amb19017409 [0,2,0,0,0,0|1,0,1]=4 3320 B14R1.135 COC(=O)C(Cc1cccc(c1)Br)Cl Amb17204953 [0,2,0,0,0,0|0,0,2]=4 3321 B14R1.135 COC(=O)C(Cc1cccc(c1)Br)N Amb17415246 [0,2,0,0,0,0|0,0,2]=4 3322 B14R1.135 COC(=O)C(Cc1cccc(c1)Br)O Amb17163099 [0,2,0,0,0,0|0,0,2]=4 3323 B14R1.135 COC(=O)C(Cc1cccc(c1)C)Cl Amb17204447 [0,2,0,0,0,0|0,0,2]=4 3324 B14R1.135 COC(=O)C(Cc1cccc(c1)C)N Amb17401771 [0,2,0,0,0,0|0,0,2]=4 3325 B14R1.135 COC(=O)C(Cc1cccc(c1)C)O Amb17139449 [0,2,0,0,0,0|0,0,2]=4 3326 B14R1.135 COC(=O)C(Cc1cccc(c1)Cl)Cl Amb17204592 [0,2,0,0,0,0|0,0,2]=4 3327 B14R1.135 COC(=O)C(Cc1cccc(c1)Cl)N Amb17404295 [0,2,0,0,0,0|0,0,2]=4 3328 B14R1.135 COC(=O)C(Cc1cccc(c1)Cl)O Amb17140887 [0,2,0,0,0,0|0,0,2]=4 3329 B14R1.135 COC(=O)C(Cc1cccc(c1)F)Br Amb17357773 [0,2,0,0,0,0|0,0,2]=4 3330 B14R1.135 COC(=O)C(Cc1cccc(c1)F)Cl Amb17204464 [0,2,0,0,0,0|0,0,2]=4 3331 B14R1.135 COC(=O)C(Cc1cccc(c1)O)N Amb17621158 [0,2,0,0,0,0|0,0,2]=4 3332 B14R1.135 COC(=O)C(Oc1cccc(c1)N)C Amb17110000 [0,2,0,0,0,0|1,0,1]=4 3333 B14R1.135 COC(=O)[C@@H](N)Cc1cccc(O)c1 Amb22746779 [0,2,0,0,0,0|0,0,2]=4 3334 B14R1.135 COC(=O)\C(\Cl)=C\c1cccc(O)c1 Amb24564924 [0,2,0,0,0,0|0,0,0]=2 3335 B14R1.135 C\C(=C/c1cccc(O)c1)\C(=O)OC Amb25706936 [0,2,0,0,0,0|0,0,0]=2 3336 B14R1.135 Cc1c[n]cc(c1)NC(=O)C(=O)OC Amb24722032 [0,2,0,0,0,0|2,0,0]=4 3337 B14R1.135 Cc1cc(ccc1)OC(C)C(=O)OC Amb19079942 [0,2,0,0,0,0|1,0,1]=4 3338 B14R1.135 Cc1cc[n]c(c1)NC(=O)C(=O)OC Amb24361650 [0,2,0,0,0,0|2,0,0]=4 3339 B14R1.135 Cc1cccc(NC(=O)C(=O)OC)[n]1 Amb25716370 [0,2,0,0,0,0|2,0,0]=4 3340 B14R1.294 CCS(=O)(=O)\C=C\c1cccc(Cl)c1 Amb23449958 [0,2,0,0,0,0|2,0,0]=4 3341 B14R1.294 CCS(=O)(=O)\C=C\c1cccc(F)c1 Amb23449972 [0,2,0,0,0,0|2,0,0]=4 3342 B14R1.294 CCS(=O)(=O)\C=C\c1cccc(N)c1 Amb23449967 [0,2,0,0,0,0|2,0,0]=4 3343 B14R1.294 Cc1cccc(c1)\C=C\S(=O)(=O)CC Amb23449916 [0,2,0,0,0,0|2,0,0]=4 3344 B14R1.820 CNC(=O)C=Cc1cc(Br)ccc1F Amb20635138 [0,2,0,0,0,0|1,0,0]=3 3345 B14R1.820 CNC(=O)C=Cc1cc(Cl)ccc1Cl Amb11276489 [0,2,0,0,0,0|1,0,0]=3 3346 B14R1.820 CNC(=O)\C=C\c1cc(Br)ccc1F Amb25838166 [0,2,0,0,0,0|1,0,0]=3 3347 B14R1.820 CNC(=O)\C=C\c1cc(Cl)c[n]c1N Amb24586341 [0,2,0,0,0,0|2,0,0]=4 3348 B14R1.820 CNC(=O)\C=C\c1cc(Cl)ccc1Cl Amb25089163 [0,2,0,0,0,0|1,0,0]=3 3349 B14R1.820 COC(=O)C#Cc1cc(Br)ccc1Br Amb25096110 [0,2,0,0,0,0|0,0,2]=4 3350 B14R1.820 COC(=O)C#Cc1cc(Br)ccc1F Amb25050639 [0,2,0,0,0,0|0,0,2]=4 3351 B14R1.820 COC(=O)C#Cc1cc(Cl)ccc1O Amb24614750 [0,2,0,0,0,0|0,0,2]=4 3352 B14R1.820 COC(=O)C#Cc1cc(F)ccc1Cl Amb24636694 [0,2,0,0,0,0|0,0,2]=4 3353 B14R1.820 COC(=O)C#Cc1cc(F)ccc1F Amb25675852 [0,2,0,0,0,0|0,0,2]=4 3354 B14R1.820 COC(=O)C=Cc1cc(Br)c[n]c1N Amb24090103 [0,2,0,0,0,0|1,0,0]=3 3355 B14R1.820 COC(=O)CCc1cc(Br)ccc1F Amb18275119 [0,2,0,0,0,0|0,0,2]=4 3356 B14R1.820 COC(=O)CCc1cc(C)ccc1C Amb17401644 [0,2,0,0,0,0|0,0,2]=4 3357 B14R1.820 COC(=O)CCc1cc(Cl)ccc1Cl Amb18940742 [0,2,0,0,0,0|0,0,2]=4 3358 B14R1.820 COC(=O)CCc1cc(Cl)ccc1O Amb18940881 [0,2,0,0,0,0|0,0,2]=4 3359 B14R1.820 COC(=O)CCc1cc(F)ccc1Br Amb22276083 [0,2,0,0,0,0|0,0,2]=4 3360 B14R1.820 COC(=O)CCc1cc(F)ccc1F Amb18942901 [0,2,0,0,0,0|0,0,2]=4 3361 B14R1.820 COC(=O)CCc1cc(F)ccc1O Amb18941516 [0,2,0,0,0,0|0,0,2]=4 3362 B14R1.820 COC(=O)CNc1cc(Br)ccc1Br Amb24372367 [0,2,0,0,0,0|1,0,1]=4 3363 B14R1.820 COC(=O)CNc1cc(Br)ccc1Cl Amb25282027 [0,2,0,0,0,0|1,0,1]=4 3364 B14R1.820 COC(=O)CNc1cc(Cl)ccc1Br Amb25325780 [0,2,0,0,0,0|1,0,1]=4 3365 B14R1.820 COC(=O)CNc1cc(F)ccc1Cl Amb24700900 [0,2,0,0,0,0|1,0,1]=4 3366 B14R1.820 COC(=O)CNc1cc(F)ccc1N Amb18309640 [0,2,0,0,0,0|1,0,1]=4 3367 B14R1.820 COC(=O)CNc1cc(I)ccc1Br Amb25841857 [0,2,0,0,0,0|1,0,1]=4 3368 B14R1.820 COC(=O)CNc1cc(I)ccc1Cl Amb24534976 [0,2,0,0,0,0|1,0,1]=4 3369 B14R1.820 COC(=O)NCc1cc(Br)ccc1F Amb25047006 [0,2,0,0,0,0|1,0,1]=4 3370 B14R1.820 COC(=O)NCc1cc(N)ccc1Cl Amb25703640 [0,2,0,0,0,0|1,0,1]=4 3371 B14R1.820 COC(=O)\C=C/c1cc(O)ccc1N Amb24575920 [0,2,0,0,0,0|0,0,0]=2 3372 B14R1.820 COC(=O)\C=C/c1cc(O)ccc1O Amb25773423 [0,2,0,0,0,0|0,0,0]=2 3373 B14R1.820 COC(=O)\C=C\c1cc(Br)ccc1Br Amb24499115 [0,2,0,0,0,0|0,0,0]=2 3374 B14R1.820 COC(=O)\C=C\c1cc(Br)ccc1N Amb18667774 [0,2,0,0,0,0|0,0,0]=2 3375 B14R1.820 COC(=O)\C=C\c1cc(Br)ccc1O Amb18667877 [0,2,0,0,0,0|0,0,0]=2 3376 B14R1.820 COC(=O)\C=C\c1cc(C)ccc1C Amb2438243 [0,2,0,0,0,0|0,0,0]=2 3377 B14R1.820 COC(=O)\C=C\c1cc(C)cnc1Cl Amb13889988 [0,2,0,0,0,0|1,0,0]=3 3378 B14R1.820 COC(=O)\C=C\c1cc(C)cnc1N Amb13889715 [0,2,0,0,0,0|1,0,0]=3 3379 B14R1.820 COC(=O)\C=C\c1cc(Cl)ccc1Br Amb25826190 [0,2,0,0,0,0|0,0,0]=2 3380 B14R1.820 COC(=O)\C=C\c1cc(Cl)ccc1Cl Amb25069816 [0,2,0,0,0,0|0,0,0]=2 3381 B14R1.820 COC(=O)\C=C\c1cc(Cl)ccc1F Amb24667820 [0,2,0,0,0,0|0,0,0]=2 3382 B14R1.820 COC(=O)\C=C\c1cc(Cl)ccc1N Amb25817675 [0,2,0,0,0,0|0,0,0]=2 3383 B14R1.820 COC(=O)\C=C\c1cc(Cl)ccc1O Amb18657374 [0,2,0,0,0,0|0,0,0]=2 3384 B14R1.820 COC(=O)\C=C\c1cc(F)ccc1Cl Amb24498933 [0,2,0,0,0,0|0,0,0]=2 3385 B14R1.820 COC(=O)\C=C\c1cc(F)ccc1F Amb24425803 [0,2,0,0,0,0|0,0,0]=2 3386 B14R1.820 COC(=O)\C=C\c1cc(F)ccc1N Amb25322209 [0,2,0,0,0,0|0,0,0]=2 3387 B14R1.820 COC(=O)\C=C\c1cc(F)cnc1N Amb13889716 [0,2,0,0,0,0|1,0,0]=3 3388 B14R1.820 COC(=O)\C=C\c1cc(N)ccc1Cl Amb18657163 [0,2,0,0,0,0|0,0,0]=2 3389 B14R1.820 COC(=O)\C=C\c1cc(O)ccc1N Amb24692665 [0,2,0,0,0,0|0,0,0]=2 3390 B14R1.820 Cc1cc(C#CC(=O)OC)c(C)cc1 Amb25717125 [0,2,0,0,0,0|0,0,2]=4 3391 B14R1.820 Cc1cc(\C=C\C(=O)CC)c(O)cc1 Amb24670478 [0,2,0,0,0,0|1,0,0]=3 3392 B14R1.820 Cc1cc(\C=C\C(=O)OC)c(O)cc1 Amb18651097 [0,2,0,0,0,0|0,0,0]=2 3393 B14R1.820 Cc1ccc(Br)c(c1)C#CC(=O)OC Amb25101412 [0,2,0,0,0,0|0,0,2]=4 3394 B14R1.820 Cc1ccc(C)cc1\C=C\C(=O)CCl Amb25102601 [0,2,0,0,0,0|2,0,0]=4 3395 B14R1.820 Cc1ccc(Cl)c(c1)C#CC(=O)OC Amb24339229 [0,2,0,0,0,0|0,0,2]=4 3396 B14R1.820 Cc1ccc(Cl)cc1\C=C\C(=O)OC Amb25045392 [0,2,0,0,0,0|0,0,0]=2 3397 B14R1.820 Cc1ccc(F)c(c1)C#CC(=O)OC Amb24555220 [0,2,0,0,0,0|0,0,2]=4 3398 B14R1.820 Cc1ccc(F)cc1C#CC(=O)OC Amb25050640 [0,2,0,0,0,0|0,0,2]=4 3399 B14R1.820 Cc1ccc(N)c(c1)NCC(=O)OC Amb25254089 [0,2,0,0,0,0|1,0,1]=4 3400 B14R1.820 Cc1ccc(N)cc1NCC(=O)OC Amb18312814 [0,2,0,0,0,0|1,0,1]=4 3401 B14R1.820 Cc1ccc(O)c(CCC(=O)OC)c1 Amb18275180 [0,2,0,0,0,0|0,0,2]=4 3402 B14R1.820 Cc1ccc(cc1OCC(=O)OC)Cl Amb10783759 [0,2,0,0,0,0|1,0,1]=4 3403 B14R1.820 O=C(CCl)\C=C\c1cc(Cl)ccc1Cl Amb25792547 [0,2,0,0,0,0|2,0,0]=4 3404 B14R1.825 CNC(=O)\C=C\c1cc(Cl)cc(c1)Cl Amb11276490 [0,2,0,0,0,0|1,0,0]=3 3405 B14R1.825 COC(=O)C#Cc1cc(Cl)cc(Br)c1 Amb24369635 [0,2,0,0,0,0|0,0,2]=4 3406 B14R1.825 COC(=O)C#Cc1cc(Cl)cc(Cl)c1 Amb25341760 [0,2,0,0,0,0|0,0,2]=4 3407 B14R1.825 COC(=O)C#Cc1cc(F)cc(Br)c1 Amb25119434 [0,2,0,0,0,0|0,0,2]=4 3408 B14R1.825 COC(=O)C#Cc1cc(F)cc(Cl)c1 Amb25698979 [0,2,0,0,0,0|0,0,2]=4 3409 B14R1.825 COC(=O)CCc1cc(C)cc(C)c1 Amb22234547 [0,2,0,0,0,0|0,0,2]=4 3410 B14R1.825 COC(=O)CNc1cc(Cl)cc(Br)c1 Amb24425654 [0,2,0,0,0,0|1,0,1]=4 3411 B14R1.825 COC(=O)CNc1cc(F)cc(Cl)c1 Amb25685707 [0,2,0,0,0,0|1,0,1]=4 3412 B14R1.825 COC(=O)CNc1cc(I)cc(I)c1 Amb24337669 [0,2,0,0,0,0|1,0,1]=4 3413 B14R1.825 COC(=O)CNc1cc(N)cc(F)c1 Amb19005090 [0,2,0,0,0,0|1,0,1]=4 3414 B14R1.825 COC(=O)COc1cc(O)cc(N)c1 Amb24095937 [0,2,0,0,0,0|1,0,1]=4 3415 B14R1.825 COC(=O)\C=C\c1cc(C)cc(C)c1 Amb25056143 [0,2,0,0,0,0|0,0,0]=2 3416 B14R1.825 COC(=O)\C=C\c1cc(Cl)cc(Br)c1 Amb25275482 [0,2,0,0,0,0|0,0,0]=2 3417 B14R1.825 COC(=O)\C=C\c1cc(F)cc(Br)c1 Amb24403387 [0,2,0,0,0,0|0,0,0]=2 3418 B14R1.825 COC(=O)\C=C\c1cc(F)cc(Cl)c1 Amb24385989 [0,2,0,0,0,0|0,0,0]=2 3419 B14R1.825 COC(=O)\C=C\c1cc(F)cc(F)c1 Amb25679578 [0,2,0,0,0,0|0,0,0]=2 3420 B14R1.825 COC(=O)\C=C\c1cc(O)cc(F)c1 Amb24701713 [0,2,0,0,0,0|0,0,0]=2 3421 B14R1.825 Cc1cc(CNC(=O)OC)cc(N)c1 Amb24657603 [0,2,0,0,0,0|1,0,1]=4 3422 B14R1.825 Cc1cc(F)cc(c1)C#CC(=O)OC Amb24455586 [0,2,0,0,0,0|0,0,2]=4 3423 B14R1.825 Cc1cc(\C=C\C(=O)OC)cc(Cl)c1 Amb24569061 [0,2,0,0,0,0|0,0,0]=2 3424 B14R1.825 Cc1cc(\C=C\C(=O)OC)cc(F)c1 Amb24713479 [0,2,0,0,0,0|0,0,0]=2 3425 B14R1.825 Cc1cc(cc(Br)c1)NCC(=O)OC Amb25125492 [0,2,0,0,0,0|1,0,1]=4 3426 B14R1.825 Cc1cc(cc(N)c1)NCC(=O)OC Amb25799220 [0,2,0,0,0,0|1,0,1]=4 3427 B14R1.825 Cc1cc(cc(N)c1)OCC(=O)OC Amb23441437 [0,2,0,0,0,0|1,0,1]=4 3428 B14R1.5956 Brc1cccc(c1)\C=C\C(=O)C(=O)O Amb17473508 [0,2,0,0,0,0|2,0,0]=4 3429 B14R1.5956 CN(C)C(=O)\C=C\c1cccc(Cl)c1 Amb24689652 [0,2,0,0,0,0|1,0,0]=3 3430 B14R1.5956 CN(C)C(=O)\C=C\c1cccc(F)c1 Amb25767184 [0,2,0,0,0,0|1,0,0]=3 3431 B14R1.5956 Cc1cc(\C=C\C(=O)N(C)C)ccc1 Amb24510743 [0,2,0,0,0,0|1,0,0]=3 3432 B14R1.5956 Cc1cccc(c1)\C=C\C(=O)C(=O)O Amb17470739 [0,2,0,0,0,0|2,0,0]=4 3433 B14R1.5956 Clc1cccc(c1)\C=C\C(=O)C(=O)O Amb17471418 [0,2,0,0,0,0|2,0,0]=4 3434 B14R1.5956 Fc1cccc(c1)\C=C\C(=O)C(=O)O Amb17470868 [0,2,0,0,0,0|2,0,0]=4 3435 B14R1.5956 Nc1cccc(c1)\C=C\C(=O)N(C)C Amb17139255 [0,2,0,0,0,0|1,0,0]=3 3436 B14R1.5956 OC(=O)C(=O)\C=C\c1cc(O)ccc1 Amb24643279 [0,2,0,0,0,0|2,0,0]=4 3437 B14R1.5956 [O-]C(=O)C(=O)C=Cc1cccc(Cl)c1 Amb22484595 [0,2,0,0,0,0|2,0,0]=4 3438 B14R1.60 CC(=Cc1ccccc1)C(=O)C=C[O-] Amb24090361 [0,2,0,0,0,0|1,0,1]=4 3439 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 Amb25706664 [0,2,0,0,0,0|2,0,0]=4 3440 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 Amb17401495 [0,2,0,0,0,0|1,0,1]=4 3441 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 Amb1814008 [0,2,0,0,0,0|2,0,0]=4 3442 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 Amb1196006 [0,2,0,0,0,0|1,0,0]=3 3443 B14R1.60 CCOC(=O)C(=O)Oc1cccc[n]1 Amb24103622 [0,2,0,0,0,0|2,0,0]=4 3444 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 Amb19051002 [0,2,0,0,0,0|1,0,1]=4 3445 B14R1.60 CCOC(=O)C(Cl)Cc1ccccc1 Amb24066460 [0,2,0,0,0,0|0,0,2]=4 3446 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 Amb17940943 [0,2,0,0,0,0|1,0,1]=4 3447 B14R1.60 CCOC(=O)C(N)Sc1ccccc1 Amb24066449 [0,2,0,0,0,0|1,0,1]=4 3448 B14R1.60 CCOC(=O)C(O)Cc1ccccc1 Amb19079971 [0,2,0,0,0,0|0,0,2]=4 3449 B14R1.60 CCOC(=O)C([O-])=Cc1cc[n]cc1 Amb19506687 [0,2,0,0,0,0|1,0,0]=3 3450 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb19889827 [0,2,0,0,0,0|0,0,2]=4 3451 B14R1.60 CCOC(=O)\C(=C/c1ccccc1)\C Amb10976899 [0,2,0,0,0,0|0,0,0]=2 3452 B14R1.60 CCOC(=O)\C(=C\c1ccccc1)\Br Amb2573602 [0,2,0,0,0,0|0,0,0]=2 3453 B14R1.60 CN(Cc1ccccc1)C(=O)OCCl Amb24371177 [0,2,0,0,0,0|1,0,1]=4 3454 B14R1.60 COC=C(Cl)C(=O)Nc1ccccc1 Amb22432715 [0,2,0,0,0,0|2,0,0]=4 3455 B14R1.60 CONC(=O)C(C)Sc1ccccc1 Amb20813816 [0,2,0,0,0,0|1,0,1]=4 3456 B14R1.60 CO\C=C(/F)\C(=O)Nc1ccccc1 Amb22547243 [0,2,0,0,0,0|2,0,0]=4 3457 B14R1.60 CO\C=C(/F)\C(=O)Sc1ccccc1 Amb22641707 [0,2,0,0,0,0|2,0,0]=4 3458 B14R1.60 CO\C=C(\F)/C(=O)Nc1ccccc1 Amb24616271 [0,2,0,0,0,0|2,0,0]=4 3459 B14R1.60 C\C(=C/c1ccccc1)\C(=O)\C=C/[O-] Amb22728792 [0,2,0,0,0,0|1,0,1]=4 3460 B14R1.60 [N-]=[N+]=NC(=O)\C(\F)=C/c1ccccc1 Amb25316233 [0,2,0,0,0,0|2,0,0]=4 3461 B14R1.60 [N-]=[N+]=NC(=O)\C(\F)=C\c1ccccc1 Amb24443717 [0,2,0,0,0,0|2,0,0]=4 3462 B14R1.156 C#CCOC(=O)OCc1ccccc1 Amb25777078 [0,2,0,0,0,0|1,0,1]=4 3463 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 Amb15739664 [0,2,0,0,0,0|1,0,0]=3 3464 B14R1.156 CCONC(=O)CCc1ccccc1 Amb10705048 [0,2,0,0,0,0|0,0,2]=4 3465 B14R1.156 CCONC(=O)CSc1ccccc1 Amb20866349 [0,2,0,0,0,0|1,0,1]=4 3466 B14R1.156 CCONC(=O)OCc1ccccc1 Amb24372859 [0,2,0,0,0,0|1,0,1]=4 3467 B14R1.156 CNOCC(=O)NCc1ccccc1 Amb25690900 [0,2,0,0,0,0|1,0,1]=4 3468 B14R1.156 N#CCOC(=O)\C=C/c1ccccc1 Amb2422957 [0,2,0,0,0,0|0,0,0]=2 3469 B14R1.156 O=C(COc1ccccc1)OCCBr Amb24065427 [0,2,0,0,0,0|1,0,1]=4 3470 B14R1.156 O=C(NCc1ccccc1)OCCI Amb24696581 [0,2,0,0,0,0|1,0,1]=4 3471 B14R1.156 O=C(NCc1ccccc1)OCCS Amb25756215 [0,2,0,0,0,0|1,0,1]=4 3472 B14R1.156 OCC#CC(=O)\C=C\c1ccccc1 Amb24355167 [0,2,0,0,0,0|1,0,0]=3 3473 B14R1.156 OCCOC(=O)C#Cc1ccccc1 Amb25357325 [0,2,0,0,0,0|0,0,2]=4 3474 B14R1.156 OCCOC(=O)NCc1ccccc1 Amb24335977 [0,2,0,0,0,0|1,0,1]=4 3475 B14R1.598 CCNC(=O)\C=C\c1ccccc1Br Amb24750223 [0,2,0,0,0,0|1,0,0]=3 3476 B14R1.598 CCNC(=O)\C=C\c1ccccc1F Amb25281395 [0,2,0,0,0,0|1,0,0]=3 3477 B14R1.598 CCOC(=O)C#Cc1ccccc1Cl Amb24079963 [0,2,0,0,0,0|0,0,2]=4 3478 B14R1.598 CCOC(=O)C#Cc1ccccc1F Amb24079971 [0,2,0,0,0,0|0,0,2]=4 3479 B14R1.598 CCOC(=O)C#Cc1ccccc1O Amb24613197 [0,2,0,0,0,0|0,0,2]=4 3480 B14R1.598 CCOC(=O)C=Cc1ccc[n]c1Cl Amb24090584 [0,2,0,0,0,0|1,0,0]=3 3481 B14R1.598 CCOC(=O)CCc1ccccc1Br Amb15692688 [0,2,0,0,0,0|0,0,2]=4 3482 B14R1.598 CCOC(=O)CCc1ccccc1Cl Amb21962867 [0,2,0,0,0,0|0,0,2]=4 3483 B14R1.598 CCOC(=O)CCc1ccccc1F Amb21962868 [0,2,0,0,0,0|0,0,2]=4 3484 B14R1.598 CCOC(=O)CCc1ccccc1O Amb18651832 [0,2,0,0,0,0|0,0,2]=4 3485 B14R1.598 CCOC(=O)COc1ccccc1O Amb1199351 [0,2,0,0,0,0|1,0,1]=4 3486 B14R1.598 CCOC(=O)NNc1ccccc1N Amb18652148 [0,2,0,0,0,0|2,0,0]=4 3487 B14R1.598 CCOC(=O)\C=C/c1cnccc1N Amb10807812 [0,2,0,0,0,0|1,0,0]=3 3488 B14R1.598 CCOC(=O)\C=C\c1cccc[n+]1[O-] Amb10553940 [0,2,0,0,0,0|1,0,0]=3 3489 B14R1.598 CCOC(=O)\C=C\c1ccccc1Br Amb10604255 [0,2,0,0,0,0|0,0,0]=2 3490 B14R1.598 CCOC(=O)\C=C\c1ccccc1N Amb18650800 [0,2,0,0,0,0|0,0,0]=2 3491 B14R1.598 CCOC(=O)\C=C\c1ccccc1O Amb18651061 [0,2,0,0,0,0|0,0,0]=2 3492 B14R1.598 CCOC(=O)\C=C\c1cccnc1N Amb10807777 [0,2,0,0,0,0|1,0,0]=3 3493 B14R1.598 CCOC(=O)\C=C\c1cnccc1N Amb10844701 [0,2,0,0,0,0|1,0,0]=3 3494 B14R1.598 COCC(=O)NCc1ccccc1C Amb10672032 [0,2,0,0,0,0|1,0,1]=4 3495 B14R1.598 COCC(=O)NCc1ccccc1Cl Amb11036698 [0,2,0,0,0,0|1,0,1]=4 3496 B14R1.598 CONC(=O)CCc1ccccc1Cl Amb16988909 [0,2,0,0,0,0|0,0,2]=4 3497 B14R1.598 CONC(=O)CNc1ccccc1Cl Amb24690330 [0,2,0,0,0,0|1,0,1]=4 3498 B14R1.598 CONC(=O)COc1ccccc1Cl Amb16158822 [0,2,0,0,0,0|1,0,1]=4 3499 B14R1.598 CONC(=O)\C=C\c1ccccc1Cl Amb11261129 [0,2,0,0,0,0|0,0,0]=2 3500 B14R1.598 CO\N=[N+](\C=C\c1ccccc1Cl)/[O-] Amb2370119 [0,2,0,0,0,0|1,0,1]=4 3501 B14R1.598 Cc1ccccc1C#CC(=O)OCC Amb24369087 [0,2,0,0,0,0|0,0,2]=4 3502 B14R1.598 Cc1ccccc1C=C\C(\C)=C/CO Amb24474205 [0,2,0,0,0,0|2,0,0]=4 3503 B14R1.598 Cc1ccccc1CCC(=O)OCC Amb19073901 [0,2,0,0,0,0|0,0,2]=4 3504 B14R1.598 Cc1ccccc1NCC(=O)NOC Amb24662003 [0,2,0,0,0,0|1,0,1]=4 3505 B14R1.598 Cc1ccccc1\C=C\C(=O)NCC Amb24388813 [0,2,0,0,0,0|1,0,0]=3 3506 B14R1.598 Cc1ccccc1\C=C\C(=O)NOC Amb25765386 [0,2,0,0,0,0|0,0,0]=2 3507 B14R1.598 N#CNC(=O)\C=C\c1ccccc1Br Amb24419154 [0,2,0,0,0,0|1,0,1]=4 3508 B14R1.598 N#CNC(=O)\C=C\c1ccccc1Cl Amb25130749 [0,2,0,0,0,0|1,0,1]=4 3509 B14R1.598 [N-]=[N+]=NC(=O)\C=C\c1ccccc1Cl Amb24392187 [0,2,0,0,0,0|2,0,0]=4 3510 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,2,0,0,0,0|1,0,0]=3 3511 B14R1.818 CC(=O)[CH-]C(=O)C=Cc1ccccc1 Amb22486320 [0,2,0,0,0,0|1,0,0]=3 3512 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 Amb22346076 [0,2,0,0,0,0|1,0,0]=3 3513 B14R1.818 CC(C)CC(=O)\C=C\c1ccccc1 Amb22731159 [0,2,0,0,0,0|1,0,0]=3 3514 B14R1.818 CC(C)NC(=O)\C=C\c1ccc[n]c1 Amb25728495 [0,2,0,0,0,0|2,0,0]=4 3515 B14R1.818 CC(C)NC(=S)\C=C\c1ccccc1 Amb25077260 [0,2,0,0,0,0|1,1,0]=4 3516 B14R1.818 CC(C)OC(=O)NCc1ccccc1 Amb25798341 [0,2,0,0,0,0|1,0,1]=4 3517 B14R1.818 CC(C)OC(=O)NNc1ccccc1 Amb22446043 [0,2,0,0,0,0|2,0,0]=4 3518 B14R1.818 CC(C)OC(=O)OCc1ccccc1 Amb25185793 [0,2,0,0,0,0|1,0,1]=4 3519 B14R1.818 CC(Cl)OC(=O)OCc1ccccc1 Amb25202460 [0,2,0,0,0,0|1,0,1]=4 3520 B14R1.818 CN(C)N=C(N)\C=C\c1ccccc1 Amb25829519 [0,2,0,0,0,0|2,0,0]=4 3521 B14R1.818 NC(=O)NC(=O)\C=C\c1ccccc1 Amb25291849 [0,2,0,0,0,0|1,0,1]=4 3522 B14R1.979 C#C\C(=C/C=O)\C=C\c1ccccc1 Amb24669015 [0,2,0,0,0,0|1,0,1]=4 3523 B14R1.979 C#C\C(=C/C=O)\C=Cc1ccccc1 Amb24697830 [0,2,0,0,0,0|1,0,1]=4 3524 B14R1.6829 CONS(=O)(=O)\C=C\c1ccccc1 Amb20666087 [0,2,0,0,0,0|1,0,0]=3 3525 B14R1.425 CC(=O)C(=O)C(=O)Nc1ccccc1 Amb24425068 [0,2,0,0,0,0|2,0,0]=4 3526 B14R1.425 CC(C)C(=O)C(=O)Nc1ccccc1 Amb25835670 [0,2,0,0,0,0|2,0,0]=4 3527 B14R1.425 CN(C(=O)C(=O)Cc1ccccc1)C Amb17401496 [0,2,0,0,0,0|1,0,1]=4 3528 B14R1.425 C\C(=C/c1ccccc1)\C(=O)C(C)O Amb25813489 [0,2,0,0,0,0|1,0,0]=3 3529 B14R1.532 C\C=C(\OC)/C(=O)Nc1ccccc1 Amb25287252 [0,2,0,0,0,0|2,0,0]=4 3530 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C Amb1811592 [0,2,0,0,0,0|2,0,0]=4 3531 B14R1.1007 COC(=O)C(=O)Cc1ccccc1C Amb17139340 [0,2,0,0,0,0|0,0,1]=3 3532 B14R1.1007 COC(=O)C(=O)Cc1ccccc1Cl Amb17140708 [0,2,0,0,0,0|0,0,1]=3 3533 B14R1.1007 COC(=O)C(=O)Cc1ccccc1F Amb17139584 [0,2,0,0,0,0|0,0,1]=3 3534 B14R1.1007 COC(=O)C(=O)Nc1[n]cccc1Br Amb24530694 [0,2,0,0,0,0|2,0,0]=4 3535 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br Amb24463900 [0,2,0,0,0,0|1,0,0]=3 3536 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl Amb25119278 [0,2,0,0,0,0|1,0,0]=3 3537 B14R1.1007 COC(=O)C(=O)Nc1ccccc1O Amb24678810 [0,2,0,0,0,0|1,0,0]=3 3538 B14R1.1007 COC(=O)C(=O)Nc1ccccc1S Amb25698410 [0,2,0,0,0,0|1,0,0]=3 3539 B14R1.1007 COC(=O)C(C)Nc1ccccc1Cl Amb19018595 [0,2,0,0,0,0|1,0,1]=4 3540 B14R1.1007 COC(=O)C(C)Nc1ccccc1F Amb19018598 [0,2,0,0,0,0|1,0,1]=4 3541 B14R1.1007 COC(=O)C(C)Nc1ccccc1N Amb19051593 [0,2,0,0,0,0|1,0,1]=4 3542 B14R1.1007 COC(=O)C(C)Nc1ccccc1O Amb24336771 [0,2,0,0,0,0|1,0,1]=4 3543 B14R1.1007 COC(=O)C(Cc1ccccc1Br)Cl Amb17204952 [0,2,0,0,0,0|0,0,2]=4 3544 B14R1.1007 COC(=O)C(Cc1ccccc1C)Br Amb17355935 [0,2,0,0,0,0|0,0,2]=4 3545 B14R1.1007 COC(=O)C(Cc1ccccc1C)Cl Amb17204446 [0,2,0,0,0,0|0,0,2]=4 3546 B14R1.1007 COC(=O)C(Cc1ccccc1C)N Amb17401769 [0,2,0,0,0,0|0,0,2]=4 3547 B14R1.1007 COC(=O)C(Cc1ccccc1C)O Amb17139448 [0,2,0,0,0,0|0,0,2]=4 3548 B14R1.1007 COC(=O)C(Cc1ccccc1Cl)Cl Amb17204591 [0,2,0,0,0,0|0,0,2]=4 3549 B14R1.1007 COC(=O)C(Cc1ccccc1Cl)N Amb17404292 [0,2,0,0,0,0|0,0,2]=4 3550 B14R1.1007 COC(=O)C(Cc1ccccc1Cl)O Amb17140886 [0,2,0,0,0,0|0,0,2]=4 3551 B14R1.1007 COC(=O)C(Cc1ccccc1F)Br Amb17357772 [0,2,0,0,0,0|0,0,2]=4 3552 B14R1.1007 COC(=O)C(Cc1ccccc1F)Cl Amb17204462 [0,2,0,0,0,0|0,0,2]=4 3553 B14R1.1007 COC(=O)C(Cc1ccccc1F)N Amb17402181 [0,2,0,0,0,0|0,0,2]=4 3554 B14R1.1007 COC(=O)C(Cc1ccccc1F)O Amb17139693 [0,2,0,0,0,0|0,0,2]=4 3555 B14R1.1007 COC(=O)C(Oc1ccccc1N)C Amb17110001 [0,2,0,0,0,0|1,0,1]=4 3556 B14R1.1007 C\C(=C/c1ccccc1O)\C(=O)CC Amb24506184 [0,2,0,0,0,0|1,0,0]=3 3557 B14R1.1007 C\C(=C/c1ccccc1O)\C(=O)OC Amb25347509 [0,2,0,0,0,0|0,0,0]=2 3558 B14R1.1007 Cc1[n]cccc1NC(=O)C(=O)OC Amb24687416 [0,2,0,0,0,0|2,0,0]=4 3559 B14R1.1007 Cc1c[n]ccc1NC(=O)C(=O)OC Amb25252705 [0,2,0,0,0,0|2,0,0]=4 3560 B14R1.1007 Cc1cc[n]cc1NC(=O)C(=O)OC Amb25720823 [0,2,0,0,0,0|2,0,0]=4 3561 B14R1.1007 Cc1ccccc1NC(=O)C(=O)OC Amb25770508 [0,2,0,0,0,0|1,0,0]=3 3562 B14R1.1007 Cc1ccccc1NC(C)C(=O)OC Amb19018596 [0,2,0,0,0,0|1,0,1]=4 3563 B14R1.1031 CCC(=O)\C(\Nc1ccccc1)=N\O Amb25694774 [0,2,0,0,0,0|2,0,0]=4 3564 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC Amb19050998 [0,2,0,0,0,0|1,0,1]=4 3565 B14R1.1031 CCN(Cc1ccccc1)C(=O)OC Amb24448645 [0,2,0,0,0,0|1,0,1]=4 3566 B14R1.1031 CNC(=O)\C(=C\c1ccccc1)\C#N Amb18649320 [0,2,0,0,0,0|1,0,0]=3 3567 B14R1.1031 CNC(=O)\C(=C\c1ccccc1)\SC Amb24741845 [0,2,0,0,0,0|1,0,0]=3 3568 B14R1.1031 CNC(=O)\C(\Cc1ccccc1)=N\O Amb24392175 [0,2,0,0,0,0|1,0,1]=4 3569 B14R1.1031 CNC(=O)\C(\Nc1ccccc1)=N\O Amb22522572 [0,2,0,0,0,0|2,0,0]=4 3570 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC Amb22463164 [0,2,0,0,0,0|0,0,2]=4 3571 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC Amb22745351 [0,2,0,0,0,0|0,0,2]=4 3572 B14R1.1031 COC(=O)C(C#N)Nc1ccccc1 Amb25223076 [0,2,0,0,0,0|1,0,1]=4 3573 B14R1.1031 COC(=O)C(Cc1ccccc1)C#N Amb17336069 [0,2,0,0,0,0|0,0,2]=4 3574 B14R1.1031 COC(=O)C(Cc1ccccc1)OC Amb22499910 [0,2,0,0,0,0|0,0,2]=4 3575 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC Amb22747354 [0,2,0,0,0,0|0,0,2]=4 3576 B14R1.1031 COC(=O)\C(=C\c1ccccc1)\C#N Amb10844663 [0,2,0,0,0,0|0,0,0]=2 3577 B14R1.1031 COC(=O)\C(=C\c1ccncc1)\C#N Amb17335958 [0,2,0,0,0,0|1,0,0]=3 3578 B14R1.1031 COC(=O)\C(\CBr)=C\c1ccccc1 Amb21959582 [0,2,0,0,0,0|0,0,0]=2 3579 B14R1.1031 COC(=O)\C(\CN)=C\c1ccccc1 Amb18650860 [0,2,0,0,0,0|0,0,0]=2 3580 B14R1.1031 C\C=C(/Sc1ccccc1)\C(=O)NC Amb25269555 [0,2,0,0,0,0|2,0,0]=4 3581 B14R1.1031 OCC(C(=O)OC)Cc1ccccc1 Amb10608962 [0,2,0,0,0,0|0,0,2]=4 3582 B14R1.1107 CC(C)(Nc1ccccc1)C(=O)OC Amb18304726 [0,2,0,0,0,0|1,0,1]=4 3583 B14R1.1107 COC(=O)C(C)(C)Cc1ccccc1 Amb17844108 [0,2,0,0,0,0|0,0,2]=4 3584 B14R1.1107 COC(=O)C(Cc1ccccc1)(N)C Amb17401738 [0,2,0,0,0,0|0,0,2]=4 3585 B14R1.1107 COC(=O)C(Oc1ccccc1)(C)C Amb17401865 [0,2,0,0,0,0|1,0,1]=4 3586 B14R1.298 CCS(=O)(=O)\C=C\c1ccccc1F Amb23449970 [0,2,0,0,0,0|2,0,0]=4 3587 B14R1.298 Cc1ccccc1\C=C\S(=O)(=O)CC Amb23449973 [0,2,0,0,0,0|2,0,0]=4 3588 B14R1.161 CC(=O)C(=C)\C=C\c1ccccc1O Amb24629204 [0,2,0,0,0,0|2,0,0]=4 3589 B14R1.161 CC(C)C(=O)\C=C\c1ccccc1O Amb25252165 [0,2,0,0,0,0|1,0,0]=3 3590 B14R1.161 CN(C)C(=O)\C=C\c1ccccc1Br Amb25789239 [0,2,0,0,0,0|1,0,0]=3 3591 B14R1.161 CN(C)C(=O)\C=C\c1ccccc1N Amb25804219 [0,2,0,0,0,0|1,0,0]=3 3592 B14R1.161 CN(C)C(=O)\C=C\c1ccccc1O Amb18650814 [0,2,0,0,0,0|1,0,0]=3 3593 B14R1.161 Cc1ccccc1\C=C\C(=N)N(C)C Amb22478082 [0,2,0,0,0,0|2,0,0]=4 3594 B14R1.161 OC(=O)C(=O)\C=C/c1ccccc1O Amb25068429 [0,2,0,0,0,0|2,0,0]=4 3595 B14R1.161 OC(=O)C(=O)\C=C\c1ccccc1Br Amb17473510 [0,2,0,0,0,0|2,0,0]=4 3596 B14R1.161 OC(=O)C(=O)\C=C\c1ccccc1C Amb17470738 [0,2,0,0,0,0|2,0,0]=4 3597 B14R1.161 OC(=O)C(=O)\C=C\c1ccccc1Cl Amb17471417 [0,2,0,0,0,0|2,0,0]=4 3598 B14R1.161 OC(=O)C(=O)\C=C\c1ccccc1F Amb17470866 [0,2,0,0,0,0|2,0,0]=4 3599 B14R1.161 OC(=O)C(=O)\C=C\c1ccccc1O Amb17508618 [0,2,0,0,0,0|2,0,0]=4 3600 B14R1.3099 CC(C)(C)C(=O)\C=C/c1cc[n]cc1 Amb22342921 [0,2,0,0,0,0|2,0,0]=4 3601 B14R1.3099 CC(C)(C)C(=O)\C=C\c1cc[n]cc1 Amb25361542 [0,2,0,0,0,0|2,0,0]=4 3602 B14R1.3099 O=C(C(F)(F)F)\C=C\c1ccccc1 Amb2236433 [0,2,0,0,0,0|2,0,0]=4 3603 B14R1.3099 O=C(C(O)(C)C)\C=C\c1ccccc1 Amb1028056 [0,2,0,0,0,0|1,0,0]=3 3604 B14R1.3099 O=C([Si](C)(C)C)\C=C\c1ccccc1 Amb10566563 [0,2,0,0,0,0|1,0,0]=3 3605 B14R1.4194 CC(=O)\C(=C/Nc1ccccc1)\C=O Amb24440185 [0,2,0,0,0,0|2,0,0]=4 3606 B14R1.4194 CC(=O)\C(=C\Nc1ccccc1)\C=O Amb18650142 [0,2,0,0,0,0|2,0,0]=4 3607 B14R1.4194 CCC(=C=Cc1ccccc1)C(O)=O Amb25224768 [0,2,0,0,0,0|1,0,1]=4 3608 B14R1.4194 COC(=C=Cc1ccccc1)C(C)O Amb25847056 [0,2,0,0,0,0|0,0,2]=4 3609 B14R1.4194 CO\C(=N\Nc1ccccc1)\C(O)=O Amb24498262 [0,2,0,0,0,0|2,0,0]=4 3610 B14R1.863 CC(\C=C\c1ccccc1NC)=CC Amb24550082 [0,2,0,0,0,0|2,0,0]=4 3611 B14R1.863 CNC(=O)\C=C/c1ccccc1OC Amb24336674 [0,2,0,0,0,0|1,0,0]=3 3612 B14R1.863 CNC(=O)\C=C\c1ccccc1OC Amb24336030 [0,2,0,0,0,0|1,0,0]=3 3613 B14R1.863 CNC(=O)\C=C\c1ccccc1SC Amb24666781 [0,2,0,0,0,0|1,0,0]=3 3614 B14R1.863 CNc1ccccc1\C=C\C(=O)OC Amb24517097 [0,2,0,0,0,0|0,0,0]=2 3615 B14R1.863 COC(=O)C#Cc1ccccc1C=O Amb24408289 [0,2,0,0,0,0|0,0,2]=4 3616 B14R1.863 COC(=O)C#Cc1ccccc1CO Amb25045734 [0,2,0,0,0,0|0,0,2]=4 3617 B14R1.863 COC(=O)CCc1ccccc1OC Amb17401859 [0,2,0,0,0,0|0,0,2]=4 3618 B14R1.863 COC(=O)CNc1ccccc1OC Amb1043473 [0,2,0,0,0,0|1,0,1]=4 3619 B14R1.863 COC(=O)CNc1ccccc1OC Amb22283115 [0,2,0,0,0,0|1,0,1]=4 3620 B14R1.863 COC(=O)CNc1ccccc1SC Amb19339741 [0,2,0,0,0,0|1,0,1]=4 3621 B14R1.863 COC(=O)COc1ccccc1C#N Amb2420034 [0,2,0,0,0,0|1,0,1]=4 3622 B14R1.863 COC(=O)COc1ccccc1CN Amb1112350 [0,2,0,0,0,0|1,0,1]=4 3623 B14R1.863 COC(=O)COc1ccccc1CN Amb19341302 [0,2,0,0,0,0|1,0,1]=4 3624 B14R1.863 COC(=O)\C=C\c1c[n]ccc1C#N Amb24567201 [0,2,0,0,0,0|1,0,0]=3 3625 B14R1.863 COC(=O)\C=C\c1ccccc1C#N Amb18649516 [0,2,0,0,0,0|0,0,0]=2 3626 B14R1.863 COC(=O)\C=C\c1ccccc1CBr Amb24120383 [0,2,0,0,0,0|0,0,0]=2 3627 B14R1.863 COc1ccccc1NNC(=O)OC Amb25089514 [0,2,0,0,0,0|2,0,0]=4 3628 B14R1.863 C\C(\C=C/c1ccccc1NC)=C\C Amb25068998 [0,2,0,0,0,0|2,0,0]=4 3629 B14R1.19598 CNC(=O)\C=C\c1c(F)cccc1Cl Amb24370281 [0,2,0,0,0,0|1,0,0]=3 3630 B14R1.19598 COC(=O)CCc1c(F)cccc1Cl Amb17404666 [0,2,0,0,0,0|0,0,2]=4 3631 B14R1.19598 COC(=O)CNc1c(Br)cccc1Br Amb25183995 [0,2,0,0,0,0|1,0,1]=4 3632 B14R1.19598 COC(=O)CNc1c(C)cccc1C Amb19079332 [0,2,0,0,0,0|1,0,1]=4 3633 B14R1.19598 COC(=O)CNc1c(Cl)cccc1Cl Amb25767316 [0,2,0,0,0,0|1,0,1]=4 3634 B14R1.19598 COC(=O)\C=C\N1C(=O)NC=CC1=O Amb25070439 [0,2,0,0,0,0|2,0,0]=4 3635 B14R1.19598 COC(=O)\C=C\c1c(C)cccc1C Amb25304892 [0,2,0,0,0,0|0,0,0]=2 3636 B14R1.19598 COC(=O)\C=C\c1c(F)cccc1F Amb24309474 [0,2,0,0,0,0|0,0,0]=2 3637 B14R1.19598 COC(=O)\C=C\c1c(I)ccnc1Cl Amb13889816 [0,2,0,0,0,0|1,0,0]=3 3638 B14R1.19598 COC(=O)\C=C\c1c(N)cccc1Cl Amb24512871 [0,2,0,0,0,0|0,0,0]=2 3639 B14R1.19598 COC(=O)\C=C\c1c(N)cccc1O Amb24696364 [0,2,0,0,0,0|0,0,0]=2 3640 B14R1.19598 COC(=O)\C=C\c1c(O)cccc1O Amb24612137 [0,2,0,0,0,0|0,0,0]=2 3641 B14R1.19598 Cc1cccc(N)c1NCC(=O)OC Amb25036858 [0,2,0,0,0,0|1,0,1]=4 3642 B12R1.77 C=CC(=O)c1ccccc1C=C Amb25298496 [0,0,1,1,0,0|1,0,1]=4 3643 B12R1.77 C=Cc1ccccc1C(=O)NN Amb24440330 [0,0,1,1,0,0|2,0,0]=4 3644 B12R1.77 CCC(=O)c1ccc[n]c1C=C Amb25693281 [0,0,1,1,0,0|2,0,0]=4 3645 B12R1.77 CCC(=O)c1ccccc1C=O Amb24452189 [0,0,1,1,0,0|2,0,0]=4 3646 B12R1.77 CCc1ccccc1C(=O)OC Amb20621604 [0,0,1,1,0,0|0,0,2]=4 3647 B12R1.77 CNC(=O)c1ccccc1C=C Amb24096715 [0,0,1,1,0,0|1,0,0]=3 3648 B12R1.77 CNC(=O)c1ccccc1C=O Amb18645820 [0,0,1,1,0,0|2,0,0]=4 3649 B12R1.77 COC(=O)c1[n]cccc1C=O Amb17933834 [0,0,1,1,0,0|2,0,0]=4 3650 B12R1.77 COC(=O)c1c[n]ccc1C=C Amb25343188 [0,0,1,1,0,0|1,0,0]=3 3651 B12R1.77 COC(=O)c1c[n]ccc1C=O Amb22500676 [0,0,1,1,0,0|2,0,0]=4 3652 B12R1.77 COC(=O)c1cc[n]cc1C=O Amb23538928 [0,0,1,1,0,0|2,0,0]=4 3653 B12R1.77 COC(=O)c1ccc[n]c1C=C Amb22728161 [0,0,1,1,0,0|1,0,0]=3 3654 B12R1.77 COC(=O)c1ccccc1C#C Amb20621612 [0,0,1,1,0,0|0,0,2]=4 3655 B12R1.77 COC(=O)c1ccccc1C=C Amb16185426 [0,0,1,1,0,0|0,0,0]=2 3656 B12R1.77 COC(=O)c1ccccc1C=O Amb1215595 [0,0,1,1,0,0|1,0,0]=3 3657 B12R1.77 COC(=O)c1ccccc1CO Amb1110579 [0,0,1,1,0,0|1,0,1]=4 3658 B12R1.77 COC(=O)c1ccccc1NN Amb24578734 [0,0,1,1,0,0|2,0,0]=4 3659 B12R1.77 COC(=O)c1ccccc1N[NH3+] Amb22489304 [0,0,1,1,0,0|2,0,0]=4 3660 B12R1.77 COC(=O)c1ccccc1SC Amb1398892 [0,0,1,1,0,0|1,0,1]=4 3661 B12R1.77 COC(=O)c1ccccc1SCl Amb25697461 [0,0,1,1,0,0|2,0,0]=4 3662 B12R1.77 [C-]#[N+]c1ccccc1C(=O)OC Amb19928642 [0,0,1,1,0,0|1,0,1]=4 3663 B12R1.291 COC(=O)c1ccc[n]1CC=C Amb22971297 [0,0,1,1,0,0|1,0,1]=4 3664 B12R1.291 C\C=C\c1c[nH]cc1C(=O)OC Amb24518545 [0,0,1,1,0,0|1,0,1]=4 3665 B12R1.382 COc1cccc(\C=C\C=C)c1 Amb24612051 [0,0,1,1,0,0|1,0,0]=3 3666 B12R1.382 COc1cccc(\C=C\C=O)[n]1 Amb25141837 [0,0,1,1,0,0|2,0,0]=4 3667 B12R1.382 O=C\C=C\c1cccc(c1)OC Amb17232402 [0,0,1,1,0,0|2,0,0]=4 3668 B12R1.477 COC(=O)N\C=C\c1ccc[s]1 Amb25313399 [0,0,1,1,0,0|2,0,0]=4 3669 B12R1.477 COC(=O)\C=C\N[n]1cccc1 Amb25353075 [0,0,1,1,0,0|2,0,0]=4 3670 B12R1.477 COC(=O)\C=C\Nc1cc[s]c1 Amb25179929 [0,0,1,1,0,0|2,0,0]=4 3671 B12R1.1659 COC(=O)C=1C=CC=CC=CC1 Amb24534302 [0,0,1,1,0,0|0,0,0]=2 3672 B12R1.71 COc1ccc(\C=C\C=C)cc1 Amb22546592 [0,0,1,1,0,0|1,0,0]=3 3673 B12R1.354 COC(=O)C1=CC(=O)C=CC1=O Amb17594120 [0,0,1,1,0,0|2,0,0]=4 3674 B12R1.354 COC(=O)c1cc(Br)ccc1N Amb2360414 [0,0,1,1,0,0|2,0,0]=4 3675 B12R1.354 COC(=O)c1cc(C)ccc1I Amb10982586 [0,0,1,1,0,0|1,0,1]=4 3676 B12R1.354 COC(=O)c1cc(Cl)ccc1I Amb16185427 [0,0,1,1,0,0|2,0,0]=4 3677 B12R1.354 COC(=O)c1cc(F)ccc1Cl Amb21856757 [0,0,1,1,0,0|2,0,0]=4 3678 B12R1.354 COC(=O)c1cc(F)ccc1I Amb21962102 [0,0,1,1,0,0|2,0,0]=4 3679 B12R1.354 COC(=O)c1cc(F)ccc1N Amb24099078 [0,0,1,1,0,0|2,0,0]=4 3680 B12R1.354 COC(=O)c1cc(F)ccc1O Amb10603999 [0,0,1,1,0,0|2,0,0]=4 3681 B12R1.354 COC(=O)c1cc(I)ccc1Br Amb19888248 [0,0,1,1,0,0|2,0,0]=4 3682 B12R1.354 COC(=O)c1cc(I)ccc1Cl Amb16231584 [0,0,1,1,0,0|2,0,0]=4 3683 B12R1.354 COC(=O)c1cc(I)ccc1F Amb16185940 [0,0,1,1,0,0|2,0,0]=4 3684 B12R1.354 COC(=O)c1cc(I)ccc1I Amb24553261 [0,0,1,1,0,0|2,0,0]=4 3685 B12R1.354 COC(=O)c1cc(I)ccc1S Amb25768584 [0,0,1,1,0,0|2,0,0]=4 3686 B12R1.354 COC(=O)c1cc(N)ccc1Cl Amb1090914 [0,0,1,1,0,0|2,0,0]=4 3687 B12R1.354 COC(=O)c1cc(N)ccc1F Amb1106409 [0,0,1,1,0,0|2,0,0]=4 3688 B12R1.354 COC(=O)c1cc(N)ccc1N Amb18953028 [0,0,1,1,0,0|2,0,0]=4 3689 B12R1.354 COC(=O)c1cc(N)ccc1O Amb22051657 [0,0,1,1,0,0|2,0,0]=4 3690 B12R1.354 COC(=O)c1cc(O)ccc1Br Amb22493091 [0,0,1,1,0,0|2,0,0]=4 3691 B12R1.354 COC(=O)c1cc(O)ccc1Cl Amb21963331 [0,0,1,1,0,0|2,0,0]=4 3692 B12R1.354 COC(=O)c1cc(O)ccc1F Amb21864823 [0,0,1,1,0,0|2,0,0]=4 3693 B12R1.354 COC(=O)c1cc(O)ccc1I Amb22737591 [0,0,1,1,0,0|2,0,0]=4 3694 B12R1.354 COC(=O)c1cc(S)ccc1Cl Amb20623815 [0,0,1,1,0,0|2,0,0]=4 3695 B12R1.354 Cc1ccc(Br)c(c1)C(=O)OC Amb21857016 [0,0,1,1,0,0|1,0,1]=4 3696 B12R1.354 Cc1ccc(Cl)c(c1)C(=O)OC Amb24066646 [0,0,1,1,0,0|1,0,1]=4 3697 B12R1.354 Cc1ccc(Cl)cc1C(=O)OC Amb20248840 [0,0,1,1,0,0|1,0,1]=4 3698 B12R1.354 Cc1ccc(F)c(c1)C(=O)OC Amb18805790 [0,0,1,1,0,0|1,0,1]=4 3699 B12R1.354 Cc1ccc(N)c(c1)C(=O)OC Amb19514943 [0,0,1,1,0,0|1,0,1]=4 3700 B12R1.354 Cc1ccc(cc1C(=O)OC)I Amb16232814 [0,0,1,1,0,0|1,0,1]=4 3701 B12R1.354 Cc1ccc(cc1C(=O)OC)O Amb13883583 [0,0,1,1,0,0|1,0,1]=4 3702 B12R1.1657 COC(=O)C1=CC(=O)C=CC=C1 Amb24646455 [0,0,1,1,0,0|1,0,0]=3 3703 B12R1.78 COc1ccc(C=C)c(C=O)c1 Amb18645651 [0,0,1,1,0,0|2,0,0]=4 3704 B12R1.78 COc1ccc(C=O)c(C=C)[n]1 Amb25677511 [0,0,1,1,0,0|2,0,0]=4 3705 B12R1.78 COc1ccc(C=O)c(C=C)c1 Amb25117921 [0,0,1,1,0,0|2,0,0]=4 3706 B12R1.179 COC(=O)c1ccc(CC=C)[s]1 Amb22295946 [0,0,1,1,0,0|1,0,1]=4 3707 B12R1.435 CCC(=O)c1cccc(c1)C=O Amb17334555 [0,0,1,1,0,0|2,0,0]=4 3708 B12R1.435 CNC(=O)c1c[n]cc(C=C)c1 Amb25308250 [0,0,1,1,0,0|2,0,0]=4 3709 B12R1.435 CNC(=O)c1cc(ccc1)C=O Amb19943944 [0,0,1,1,0,0|2,0,0]=4 3710 B12R1.435 CNC(=O)c1cccc(C=C)c1 Amb24056362 [0,0,1,1,0,0|1,0,0]=3 3711 B12R1.435 COC(=N)c1cccc(C=O)c1 Amb24669051 [0,0,1,1,0,0|2,0,0]=4 3712 B12R1.435 COC(=O)c1c[n]cc(C=C)c1 Amb24379577 [0,0,1,1,0,0|1,0,0]=3 3713 B12R1.435 COC(=O)c1cc(C=C)cc[n]1 Amb25774439 [0,0,1,1,0,0|1,0,0]=3 3714 B12R1.435 COC(=O)c1cc(C=O)[n]cc1 Amb21857368 [0,0,1,1,0,0|2,0,0]=4 3715 B12R1.435 COC(=O)c1cc(C=O)cnc1 Amb17614600 [0,0,1,1,0,0|2,0,0]=4 3716 B12R1.435 COC(=O)c1cc(cc[n]1)C=O Amb22002131 [0,0,1,1,0,0|2,0,0]=4 3717 B12R1.435 COC(=O)c1cc(ccc1)C#C Amb19895030 [0,0,1,1,0,0|0,0,2]=4 3718 B12R1.435 COC(=O)c1cc(ccc1)NN Amb22170359 [0,0,1,1,0,0|2,0,0]=4 3719 B12R1.435 COC(=O)c1cc(ccc1)SC Amb22261603 [0,0,1,1,0,0|1,0,1]=4 3720 B12R1.435 COC(=O)c1cc(ccc1)SCl Amb24702477 [0,0,1,1,0,0|2,0,0]=4 3721 B12R1.435 COC(=O)c1cccc(c1)C=C Amb16185423 [0,0,1,1,0,0|0,0,0]=2 3722 B12R1.435 COC(=O)c1cccc(c1)CBr Amb1210760 [0,0,1,1,0,0|1,0,1]=4 3723 B12R1.435 COC(=O)c1cccc(c1)CN Amb10976909 [0,0,1,1,0,0|1,0,1]=4 3724 B12R1.435 COC(=O)c1cccc(c1)NC Amb17307207 [0,0,1,1,0,0|1,0,1]=4 3725 B12R1.608 COC(=O)c1[nH]c(C=C)cc1O Amb24342045 [0,0,1,1,0,0|2,0,0]=4 3726 B12R2.1 CCc1csc2ccccc12 Amb17939293 [1,0,0,1,0,0|2,0,0]=4 3727 B12R2.1 CNc1c[nH]c2ccccc12 Amb18553874 [1,0,0,1,0,0|2,0,0]=4 3728 B12R2.1 CNc1c[s]c2ccccc21 Amb23403655 [1,0,0,1,0,0|2,0,0]=4 3729 B12R2.1 COC1=CCc2ccccc12 Amb17778910 [1,0,0,1,0,0|0,0,1]=3 3730 B12R2.1 COC1=NCc2ccccc12 Amb24527731 [1,0,0,1,0,0|1,0,1]=4 3731 B12R2.1 CO[n]1ccc2ccccc12 Amb24117866 [1,0,0,1,0,0|1,0,0]=3 3732 B12R2.1 COc1[n][nH]c2ccccc21 Amb21857106 [1,0,0,1,0,0|2,0,0]=4 3733 B12R2.1 COc1[n][s]c2ccccc21 Amb24577330 [1,0,0,1,0,0|2,0,0]=4 3734 B12R2.1 COc1[n]oc2ccccc12 Amb23571257 [1,0,0,1,0,0|2,0,0]=4 3735 B12R2.1 COc1[s][n]c2ccccc21 Amb24586169 [1,0,0,1,0,0|2,0,0]=4 3736 B12R2.1 COc1c[nH]c2ccc[n]c12 Amb24553821 [1,0,0,1,0,0|2,0,0]=4 3737 B12R2.1 COc1c[nH]c2ccccc12 Amb22489959 [1,0,0,1,0,0|1,0,0]=3 3738 B12R2.1 COc1c[s]c2ccc[n]c12 Amb25195397 [1,0,0,1,0,0|2,0,0]=4 3739 B12R2.1 COc1ccc2cccc[n]21 Amb24102347 [1,0,0,1,0,0|1,0,0]=3 3740 B12R2.1 COc1o[n]c2ccccc21 Amb25223546 [1,0,0,1,0,0|2,0,0]=4 3741 B12R2.1 CSc1coc2ccccc12 Amb24085388 [1,0,0,1,0,0|1,1,0]=4 3742 B12R2.1 C\C=C/1\C=Cc2ccccc21 Amb25322411 [1,0,0,1,0,0|1,0,0]=3 3743 B12R2.2 C1NCC=C1c2ccccc2 Amb22059494 [1,0,0,1,0,0|1,0,1]=4 3744 B12R2.2 C1OC=NC1c2ccccc2 Amb20247138 [1,0,0,1,0,0|1,0,1]=4 3745 B12R2.2 c1[n]cccc1-c2cco[n]2 Amb19887524 [1,0,0,1,0,0|2,0,0]=4 3746 B12R2.2 c1c[n]ccc1-c2cco[n]2 Amb25741647 [1,0,0,1,0,0|2,0,0]=4 3747 B12R2.2 c1ccc(cc1)c2c[nH]cc2 Amb10606854 [1,0,0,1,0,0|1,0,1]=4 3748 B12R2.2 c1ccc(cc1)c2cccs2 Amb1215646 [1,0,0,1,0,0|2,0,0]=4 3749 B12R2.2 c1ccc(cc1)c2ccn[nH]2 Amb10235721 [1,0,0,1,0,0|2,0,0]=4 3750 B12R2.2 c1ccc(cc1)c2ccno2 Amb2191136 [1,0,0,1,0,0|2,0,0]=4 3751 B12R2.2 c1ccc(cc1)c2cocn2 Amb17399894 [1,0,0,1,0,0|1,0,1]=4 3752 B12R2.2 c1ccc(cc1)c2n[nH]cc2 Amb15740832 [1,0,0,1,0,0|2,0,0]=4 3753 B12R2.2 c1ccc(cc1)c2n[nH]cc2 Amb1818207 [1,0,0,1,0,0|2,0,0]=4 3754 B12R2.2 c1ccccc1-c2cc[n][s]2 Amb24082008 [1,0,0,1,0,0|2,0,0]=4 3755 B12R2.2 c1ccccc1-c2cc[s][n]2 Amb24376714 [1,0,0,1,0,0|1,1,0]=4 3756 B12R2.2 c1ccccc1-c2cco[n]2 Amb19887522 [1,0,0,1,0,0|1,0,0]=3 3757 B12R2.2 c1nocc1-c2ccccc2 Amb17777666 [1,0,0,1,0,0|1,0,1]=4 3758 B12R2.2 c1occc1-c2cc[n]cc2 Amb25151842 [1,0,0,1,0,0|1,0,1]=4 3759 B12R2.41 C1C=Cc2c(CC1)cccc2 Amb2383779 [1,0,0,1,0,0|1,0,1]=4 3760 B12R2.41 C1NC=COc2ccccc21 Amb24486059 [1,0,0,1,0,0|2,0,0]=4 3761 B12R2.41 C1OC=CC=C2C=CN=CN21 Amb25144053 [1,0,0,1,0,0|2,0,0]=4 3762 B12R2.41 C1OC=COc2c[n]ccc21 Amb24090159 [1,0,0,1,0,0|2,0,0]=4 3763 B12R2.41 C1OC=COc2ccc[n]c21 Amb24090160 [1,0,0,1,0,0|2,0,0]=4 3764 B12R2.41 C=1N=COC=C2C=CC=CC21 Amb24681886 [1,0,0,1,0,0|1,0,1]=4 3765 B12R2.41 C=1NC=CC=C2C=CC=CC21 Amb24351660 [1,0,0,1,0,0|1,0,1]=4 3766 B12R2.41 C=1OC=CN=C2C=CC=CC21 Amb25142127 [1,0,0,1,0,0|1,0,1]=4 3767 B12R2.41 C=1ON=CC=C2C=CC=CC21 Amb24437474 [1,0,0,1,0,0|1,0,1]=4 3768 B12R2.41 c1cccc2NC=CC=Cc21 Amb25340361 [1,0,0,1,0,0|2,0,0]=4 3769 B12R2.1081 Bc1cccc2ccccc21 Amb24572623 [1,0,0,1,0,0|2,0,0]=4 3770 B12R2.1081 CC1SC=Cc2ccccc21 Amb24485795 [1,0,0,1,0,0|2,0,0]=4 3771 B12R2.1081 C[n+]1cccc2c1cccc2 Amb10553831 [1,0,0,1,0,0|1,0,0]=3 3772 B12R2.1081 C[n+]1cccc2c1cccc2 Amb2540187 [1,0,0,1,0,0|1,0,0]=3 3773 B12R2.1081 C[n+]1cccc2ccccc12 Amb22360002 [1,0,0,1,0,0|1,0,0]=3 3774 B12R2.1081 C[n+]1ccnc2c1cccc2 Amb2229303 [1,0,0,1,0,0|2,0,0]=4 3775 B12R2.1081 C[n+]1ccnc2c1cccc2 Amb2519210 [1,0,0,1,0,0|2,0,0]=4 3776 B12R2.1081 Cc1[n]ccc2ccccc21 Amb24074119 [1,0,0,1,0,0|2,0,0]=4 3777 B12R2.1081 Cc1cccc2c1cccn2 Amb2447286 [1,0,0,1,0,0|2,0,0]=4 3778 B12R2.1081 Cc1cccc2c1ccnc2 Amb2447327 [1,0,0,1,0,0|2,0,0]=4 3779 B12R2.1081 Cc1cccc2c1cncc2 Amb10070397 [1,0,0,1,0,0|2,0,0]=4 3780 B12R2.1081 Cc1cccc2c1nccc2 Amb1229978 [1,0,0,1,0,0|2,0,0]=4 3781 B12R2.1081 Cc1cncc2c1cccc2 Amb15691609 [1,0,0,1,0,0|2,0,0]=4 3782 B12R2.1081 Cc1nccc2ccccc12 Amb17672018 [1,0,0,1,0,0|2,0,0]=4 3783 B12R2.1081 N[13c]1[13cH][13cH][13cH][13c]2[13cH][13cH][13cH][13cH][13c]21 Amb22057463 [1,0,0,1,0,0|2,0,0]=4 3784 B12R2.1081 N[n+]1cccc2c1cccc2 Amb10553640 [1,0,0,1,0,0|2,0,0]=4 3785 B12R2.1081 N[n+]1cccc2c1cccc2 Amb10553663 [1,0,0,1,0,0|2,0,0]=4 3786 B12R2.1081 N[n+]1cccc2c1cccc2 Amb2237833 [1,0,0,1,0,0|2,0,0]=4 3787 B12R2.1081 Nc1cccc2c1cccc2 Amb1935098 [1,0,0,1,0,0|2,0,0]=4 3788 B12R2.1081 O[13c]1[13cH][13cH][13cH][13c]2[13c]1[13cH][13cH][13cH][13cH]2 Amb17618239 [1,0,0,1,0,0|2,0,0]=4 3789 B12R2.1081 O[14c]1cccc2ccccc12 Amb22352351 [1,0,0,1,0,0|2,0,0]=4 3790 B12R2.1081 Pc1cccc2ccccc21 Amb24739753 [1,0,0,1,0,0|2,0,0]=4 3791 B12R2.1081 [Mg+]c1cccc2ccccc21 Amb22044005 [1,0,0,1,0,0|2,0,0]=4 3792 B12R2.1081 [Na]c1cccc2ccccc21 Amb24485785 [1,0,0,1,0,0|2,0,0]=4 3793 B12R2.2057 C1OC1\C=C\c2cccc[n]2 Amb24411009 [1,0,0,1,0,0|1,0,1]=4 3794 B12R2.2057 C1OC1\C=C\c2ccccc2 Amb24418540 [1,0,0,1,0,0|0,0,1]=3 3795 B12R2.2058 C1NCC1=Cc2ccccc2 Amb24630245 [1,0,0,1,0,0|1,0,1]=4 3796 B12R2.22 BrC1CC(=C1)c2ccccc2 Amb24669104 [1,0,0,1,0,0|1,0,1]=4 3797 B12R2.22 O=C1CC(N1)c2ccccc2 Amb1993905 [1,0,0,1,0,0|1,0,1]=4 3798 B12R2.22 O=C1C[C@@H](N1)c2ccccc2 Amb24598586 [1,0,0,1,0,0|1,0,1]=4 3799 B12R2.22 OC1CC(=C1)c2ccccc2 Amb25198298 [1,0,0,1,0,0|0,0,2]=4 3800 B12R2.24 Brc1ccc2c(c1)cccc2 Amb1159157 [1,0,0,1,0,0|1,0,1]=4 3801 B12R2.24 CC1C=Cc2c(N1)cccc2 Amb17593644 [1,0,0,1,0,0|1,0,1]=4 3802 B12R2.24 CC1C=Cc2ccccc2O1 Amb24715788 [1,0,0,1,0,0|0,0,2]=4 3803 B12R2.24 C[n+]1ccc2c(c1)cccc2 Amb1147460 [1,0,0,1,0,0|2,0,0]=4 3804 B12R2.24 Cc1[n]c2ccccc2c[n]1 Amb23400987 [1,0,0,1,0,0|2,0,0]=4 3805 B12R2.24 Cc1cc2c[n]ccc2cc1 Amb18349166 [1,0,0,1,0,0|2,0,0]=4 3806 B12R2.24 Cc1cc2ccc[n]c2cc1 Amb22235973 [1,0,0,1,0,0|2,0,0]=4 3807 B12R2.24 Cc1ccc2c(c1)cccn2 Amb10553829 [1,0,0,1,0,0|2,0,0]=4 3808 B12R2.24 Cc1ccc2c(c1)ccnc2 Amb10071945 [1,0,0,1,0,0|2,0,0]=4 3809 B12R2.24 Cc1ccc2c(n1)cccc2 Amb1151967 [1,0,0,1,0,0|1,0,0]=3 3810 B12R2.24 Cc1ccc2c(n1)cccn2 Amb15692772 [1,0,0,1,0,0|2,0,0]=4 3811 B12R2.24 Cc1ccc2c[n]ccc2[n]1 Amb23441223 [1,0,0,1,0,0|2,0,0]=4 3812 B12R2.24 Cc1ccc2cc[n]cc2[n]1 Amb25305156 [1,0,0,1,0,0|2,0,0]=4 3813 B12R2.24 Cc1ccc2ccccc2[n]1 Amb24097096 [1,0,0,1,0,0|1,0,0]=3 3814 B12R2.24 Cc1cnc2c(c1)cccc2 Amb2447051 [1,0,0,1,0,0|2,0,0]=4 3815 B12R2.24 Fc1ccc2ccccc2[n]1 Amb20171185 [1,0,0,1,0,0|2,0,0]=4 3816 B12R2.24 Ic1ccc2c(n1)cccc2 Amb10604284 [1,0,0,1,0,0|2,0,0]=4 3817 B12R2.24 NC1C=Cc2c(C1)cccc2 Amb17470378 [1,0,0,1,0,0|1,0,1]=4 3818 B12R2.24 NC1C=Cc2ccccc2O1 Amb24618074 [1,0,0,1,0,0|1,0,1]=4 3819 B12R2.24 N[C@H]1Cc2ccccc2C=C1 Amb24699393 [1,0,0,1,0,0|1,0,1]=4 3820 B12R2.24 Nc1cc2ccccc2cc1 Amb22057457 [1,0,0,1,0,0|1,0,1]=4 3821 B12R2.24 Nc1cc[13c]2[13c](c1)[13cH][13cH][13cH][13cH]2 Amb17618259 [1,0,0,1,0,0|1,0,1]=4 3822 B12R2.24 Nc1ccc2c(n1)cccc2 Amb1152993 [1,0,0,1,0,0|2,0,0]=4 3823 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Amb19958596 [1,0,0,1,0,0|1,0,1]=4 3824 B12R2.24 O=C1C=C2C=CC=CC2=CO1 Amb25242585 [1,0,0,1,0,0|1,0,1]=4 3825 B12R2.24 O=C1C=Cc2[n]cccc2N1 Amb21856966 [1,0,0,1,0,0|2,0,0]=4 3826 B12R2.24 O=C1C=Cc2c[n]ccc2N1 Amb21618693 [1,0,0,1,0,0|2,0,0]=4 3827 B12R2.24 O=C1C=Cc2cc[n]cc2N1 Amb22493786 [1,0,0,1,0,0|2,0,0]=4 3828 B12R2.24 O=C1C=Cc2cc[n]cc2O1 Amb24395883 [1,0,0,1,0,0|1,0,0]=3 3829 B12R2.24 O=C1C=Cc2ccc[n]c2N1 Amb22001403 [1,0,0,1,0,0|2,0,0]=4 3830 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [1,0,0,1,0,0|1,0,0]=3 3831 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [1,0,0,1,0,0|0,0,0]=2 3832 B12R2.24 O=C1C=Cc2ccccc2S1 Amb20663396 [1,0,0,1,0,0|0,1,0]=3 3833 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [1,0,0,1,0,0|1,0,0]=3 3834 B12R2.24 O=C1C=Nc2ccccc2N1 Amb18372452 [1,0,0,1,0,0|2,0,0]=4 3835 B12R2.24 O=C1CCc2c(C1)cccc2 Amb2383557 [1,0,0,1,0,0|0,0,2]=4 3836 B12R2.24 O=C1CNc2ccccc2O1 Amb22166855 [1,0,0,1,0,0|1,0,1]=4 3837 B12R2.24 O=C1COc2c(C1)cccc2 Amb15692703 [1,0,0,1,0,0|1,0,1]=4 3838 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [1,0,0,1,0,0|1,0,1]=4 3839 B12R2.24 O=C1Cc2ccccc2N=C1 Amb24078566 [1,0,0,1,0,0|1,0,0]=3 3840 B12R2.24 O=C1Cc2ccccc2NC1 Amb18202302 [1,0,0,1,0,0|1,0,1]=4 3841 B12R2.24 O=C1Cc2ccccc2NN1 Amb24583135 [1,0,0,1,0,0|2,0,0]=4 3842 B12R2.24 O=C1Cc2ccccc2SC1 Amb22231635 [1,0,0,1,0,0|1,0,1]=4 3843 B12R2.24 O=C1N=Cc2ccccc2O1 Amb22054765 [1,0,0,1,0,0|1,0,0]=3 3844 B12R2.24 O=C1Nc2ccccc2C=N1 Amb20653982 [1,0,0,1,0,0|2,0,0]=4 3845 B12R2.24 O=C1Nc2ccccc2C=N1 Amb22752711 [1,0,0,1,0,0|2,0,0]=4 3846 B12R2.24 O=C1OCc2ccccc2O1 Amb24536007 [1,0,0,1,0,0|1,0,1]=4 3847 B12R2.24 O=[n]1cc2ccccc2cc1 Amb20247039 [1,0,0,1,0,0|1,0,1]=4 3848 B12R2.24 O=c1ccc2c(o1)cccc2 Amb1802468 [1,0,0,1,0,0|0,0,0]=2 3849 B12R2.24 O=c1ccc2c[n]c[n]c2o1 Amb24066304 [1,0,0,1,0,0|2,0,0]=4 3850 B12R2.24 O=c1ccc2c[n]ccc2o1 Amb24100794 [1,0,0,1,0,0|1,0,0]=3 3851 B12R2.24 O=c1cnc2c([nH]1)cccc2 Amb1352017 [1,0,0,1,0,0|2,0,0]=4 3852 B12R2.24 O=c1ncc2c([nH]1)cccc2 Amb2569659 [1,0,0,1,0,0|2,0,0]=4 3853 B12R2.24 OC1=CC=C2C=CC=CN2C1 Amb17835334 [1,0,0,1,0,0|1,0,1]=4 3854 B12R2.24 OC1=COc2ccccc2O1 Amb24060689 [1,0,0,1,0,0|1,0,1]=4 3855 B12R2.24 OC1C=Cc2ccccc2O1 Amb21964141 [1,0,0,1,0,0|0,0,2]=4 3856 B12R2.24 O[13c]1[13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH][13cH]1 Amb22055903 [1,0,0,1,0,0|1,0,0]=3 3857 B12R2.24 O[C@H]1Cc2ccccc2C=C1 Amb25792328 [1,0,0,1,0,0|0,0,2]=4 3858 B12R2.24 Oc1cc2c[n]ccc2cc1 Amb19373209 [1,0,0,1,0,0|2,0,0]=4 3859 B12R2.24 Oc1cc2cccc[n+]2cc1 Amb24309279 [1,0,0,1,0,0|2,0,0]=4 3860 B12R2.24 Oc1cc2ccccc2cc1 Amb21973568 [1,0,0,1,0,0|1,0,0]=3 3861 B12R2.24 Oc1ccc2[n]cccc2[n]1 Amb18124768 [1,0,0,1,0,0|2,0,0]=4 3862 B12R2.24 Oc1ccc2c(c1)ccnc2 Amb10067627 [1,0,0,1,0,0|2,0,0]=4 3863 B12R2.24 Oc1ccc2c(c1)cncc2 Amb1152014 [1,0,0,1,0,0|2,0,0]=4 3864 B12R2.24 Oc1ccc2c(n1)cccc2 Amb1818223 [1,0,0,1,0,0|1,0,0]=3 3865 B12R2.24 Oc1ncc2c(c1)cccc2 Amb10068513 [1,0,0,1,0,0|2,0,0]=4 3866 B12R2.24 Oc1ncc2c(n1)cccc2 Amb1971493 [1,0,0,1,0,0|2,0,0]=4 3867 B12R2.24 S=C1C=Cc2ccccc2N1 Amb18526983 [1,0,0,1,0,0|1,1,0]=4 3868 B12R2.24 S=C1C=Cc2ccccc2O1 Amb21884783 [1,0,0,1,0,0|0,1,0]=3 3869 B12R2.24 S=c1ccc2ccccc2[s]1 Amb24065643 [1,0,0,1,0,0|0,2,0]=4 3870 B12R2.24 SN1Cc2ccccc2C=C1 Amb25826109 [1,0,0,1,0,0|1,1,0]=4 3871 B12R2.24 Sc1ccc2c(c1)cccc2 Amb1152959 [1,0,0,1,0,0|0,1,1]=4 3872 B12R2.24 Sc1ccc2c(n1)cccc2 Amb1151737 [1,0,0,1,0,0|1,1,0]=4 3873 B12R2.24 [13CH3][13c]1[13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13cH][13cH]2 Amb17617622 [1,0,0,1,0,0|1,0,0]=3 3874 B12R2.24 [Mg+]c1cc2ccccc2cc1 Amb22044011 [1,0,0,1,0,0|1,0,1]=4 3875 B12R2.24 [NH3+]c1cc2[13cH][13cH][13cH][13cH]c2cc1 Amb22057458 [1,0,0,1,0,0|1,0,1]=4 3876 B12R2.24 [O-]c1ccc2ccccc2[n]1 Amb22474102 [1,0,0,1,0,0|1,0,1]=4 3877 B12R2.24 c1([2H])ccc2c(n1)cccc2 Amb10573520 [1,0,0,1,0,0|2,0,0]=4 3878 B12R2.2403 CC1(C)C=Cc2ccccc12 Amb17844051 [1,0,0,1,0,0|1,0,1]=4 3879 B12R2.3190 CC(=O)N1Cc2ccccc12 Amb25148191 [1,0,0,1,0,0|1,0,1]=4 3880 B12R2.3190 NC(=O)C1=Cc2ccccc21 Amb25169267 [1,0,0,1,0,0|1,0,0]=3 3881 B12R2.3190 O=C(Cl)C=1C=C2C=CC=CC21 Amb25779648 [1,0,0,1,0,0|1,0,0]=3 3882 B12R2.3190 OC(=O)C1=Cc2c1cccc2 Amb17593654 [1,0,0,1,0,0|0,0,0]=2 3883 B12R2.6 O=C1C=C(CN1)c2ccc[s]2 Amb24594123 [0,0,0,1,1,0|2,0,0]=4 3884 B12R2.6 O=C1C=C(CO1)c2ccoc2 Amb25270464 [0,0,0,1,1,0|1,0,0]=3 3885 B12R2.6 O=C1CCC(=C1)c2c[nH]cc2 Amb25855040 [0,0,0,1,1,0|2,0,0]=4 3886 B12R2.6 O=C1CCC(=C1)c2ccco2 Amb17138420 [0,0,0,1,1,0|2,0,0]=4 3887 B12R2.6 O=C1CCC(=C1)c2cccs2 Amb17138573 [0,0,0,1,1,0|2,0,0]=4 3888 B12R2.44 COc1c[n]2cccc2cc1 Amb24091741 [0,0,0,1,1,0|2,0,0]=4 3889 B12R2.44 COc1cc2[s]ccc2cc1 Amb22001743 [0,0,0,1,1,0|2,0,0]=4 3890 B12R2.44 COc1cc2ccc[n]2cc1 Amb24092167 [0,0,0,1,1,0|2,0,0]=4 3891 B12R2.44 COc1cc2occc2cc1 Amb21962786 [0,0,0,1,1,0|2,0,0]=4 3892 B12R2.44 COc1ccc2C=CCc2c1 Amb21857137 [0,0,0,1,1,0|1,0,1]=4 3893 B12R2.44 COc1ccc2c(c1)C=CC2 Amb2383764 [0,0,0,1,1,0|1,0,1]=4 3894 B12R2.44 COc1ccc2c(c1)[nH]cc2 Amb2234872 [0,0,0,1,1,0|2,0,0]=4 3895 B12R2.44 COc1ccc2c(c1)cc[nH]2 Amb1158048 [0,0,0,1,1,0|2,0,0]=4 3896 B12R2.44 COc1ccc2cc[s]c2[n]1 Amb25335420 [0,0,0,1,1,0|2,0,0]=4 3897 B12R2.18 CC1C(=O)Cc2ccccc21 Amb20622460 [0,0,0,1,1,0|1,0,1]=4 3898 B12R2.18 CC1C(=O)Oc2ccccc21 Amb25150504 [0,0,0,1,1,0|2,0,0]=4 3899 B12R2.18 CC1C(=O)Sc2ccccc21 Amb24519014 [0,0,0,1,1,0|2,0,0]=4 3900 B12R2.18 CN1C(=O)Nc2ccccc12 Amb18537193 [0,0,0,1,1,0|2,0,0]=4 3901 B12R2.18 CN1C(=O)Oc2ccccc12 Amb18043105 [0,0,0,1,1,0|2,0,0]=4 3902 B12R2.18 CN1C(=O)Sc2ccccc12 Amb19654015 [0,0,0,1,1,0|2,0,0]=4 3903 B12R2.18 C[n]1c(Br)cc2ccccc12 Amb22232574 [0,0,0,1,1,0|2,0,0]=4 3904 B12R2.18 C[n]1c(I)cc2ccccc12 Amb24067548 [0,0,0,1,1,0|2,0,0]=4 3905 B12R2.18 C[n]1c(N)cc2ccccc12 Amb18644284 [0,0,0,1,1,0|2,0,0]=4 3906 B12R2.18 C[n]1c(N)cc2ccccc12 Amb19944548 [0,0,0,1,1,0|2,0,0]=4 3907 B12R2.18 Cn1c(=O)[nH]c2c1cccc2 Amb1159144 [0,0,0,1,1,0|2,0,0]=4 3908 B12R2.18 Cn1c(=O)oc2c1cccc2 Amb1905664 [0,0,0,1,1,0|2,0,0]=4 3909 B12R2.18 Cn1c(C)cc2c1cccc2 Amb1934988 [0,0,0,1,1,0|2,0,0]=4 3910 B12R2.18 O=C1Cc2c(N1C)cccc2 Amb1398903 [0,0,0,1,1,0|1,0,1]=4 3911 B12R2.32 CCc1cc2c([nH]1)cccc2 Amb10553855 [0,0,0,1,1,0|2,0,0]=4 3912 B12R2.32 CCc1cc2c(s1)cccc2 Amb10568584 [0,0,0,1,1,0|1,1,0]=4 3913 B12R2.32 CNc1cc2ccccc2[nH]1 Amb18831442 [0,0,0,1,1,0|2,0,0]=4 3914 B12R2.32 COc1cc2c([nH]1)cccc2 Amb15690762 [0,0,0,1,1,0|1,0,0]=3 3915 B12R2.32 COc1cc2ccc[n]c2[nH]1 Amb25774284 [0,0,0,1,1,0|2,0,0]=4 3916 B12R2.32 COc1cc2cccc[n]2[n]1 Amb25726440 [0,0,0,1,1,0|2,0,0]=4 3917 B12R2.32 COc1cc2cccc[n]2c1 Amb24697003 [0,0,0,1,1,0|2,0,0]=4 3918 B12R2.32 COc1cc2ccccc2[s]1 Amb25130500 [0,0,0,1,1,0|0,1,0]=3 3919 B12R2.32 CSc1cc2ccccc2[nH]1 Amb25678622 [0,0,0,1,1,0|1,1,0]=4 3920 B12R2.32 CSc1cc2ccccc2o1 Amb24101348 [0,0,0,1,1,0|0,1,1]=4 3921 B12R2.32 NOc1cc2ccccc2o1 Amb24621929 [0,0,0,1,1,0|1,0,1]=4 3922 B12R2.37 CC1=C(C1=O)c2ccccc2 Amb1914070 [0,0,0,1,1,0|1,0,0]=3 3923 B12R2.37 Cc1c(-c2ccccc2)c1=O Amb17917365 [0,0,0,1,1,0|1,0,0]=3 3924 B12R2.37 NC=1C(=O)C1c2ccccc2 Amb24509252 [0,0,0,1,1,0|2,0,0]=4 3925 B12R2.37 O=C1C(Cl)=C1c2ccccc2 Amb25759566 [0,0,0,1,1,0|2,0,0]=4 3926 B12R2.37 OC=1C(=O)C1c2ccccc2 Amb24631580 [0,0,0,1,1,0|2,0,0]=4 3927 B12R2.3511 COC(=O)C1c2ccccc21 Amb25270277 [0,0,0,1,1,0|0,0,1]=3 3928 B14R2.8 CCc1[n]cc([s]1)-c2ccccc2 Amb25790313 [0,0,0,1,0,1|1,1,0]=4 3929 B14R2.8 CCc1c[nH]c([n]1)-c2ccccc2 Amb22753730 [0,0,0,1,0,1|2,0,0]=4 3930 B14R2.8 CCc1c[n]c([s]1)-c2ccccc2 Amb24471037 [0,0,0,1,0,1|1,1,0]=4 3931 B14R2.8 CCc1c[s]c([n]1)-c2ccccc2 Amb25250587 [0,0,0,1,0,1|2,0,0]=4 3932 B14R2.8 CCc1cc[n]([n]1)-c2ccccc2 Amb24411826 [0,0,0,1,0,1|2,0,0]=4 3933 B14R2.8 CCc1cnc(o1)c2ccccc2 Amb10571229 [0,0,0,1,0,1|1,0,1]=4 3934 B14R2.8 CCc1coc(c1)c2ccccc2 Amb10572838 [0,0,0,1,0,1|2,0,0]=4 3935 B14R2.8 CNc1[nH]cc([n]1)-c2ccccc2 Amb25153566 [0,0,0,1,0,1|2,0,0]=4 3936 B14R2.8 CNc1[n]c(co1)-c2ccccc2 Amb22301262 [0,0,0,1,0,1|2,0,0]=4 3937 B14R2.8 CNc1[n]cc([s]1)-c2ccccc2 Amb18966167 [0,0,0,1,0,1|1,1,0]=4 3938 B14R2.8 CNc1[n]cc(o1)-c2ccccc2 Amb23412493 [0,0,0,1,0,1|1,0,1]=4 3939 B14R2.8 CNc1c[nH]c([n]1)-c2ccccc2 Amb25760683 [0,0,0,1,0,1|2,0,0]=4 3940 B14R2.8 CNc1scc(n1)c2ccccc2 Amb2444640 [0,0,0,1,0,1|2,0,0]=4 3941 B14R2.8 COc1[n][n]c([s]1)-c2ccccc2 Amb25119329 [0,0,0,1,0,1|1,1,0]=4 3942 B14R2.8 COc1[n][n]c(o1)-c2ccccc2 Amb25742085 [0,0,0,1,0,1|1,0,1]=4 3943 B14R2.8 COc1c[nH]c([n]1)-c2ccccc2 Amb24578826 [0,0,0,1,0,1|1,0,0]=3 3944 B14R2.8 COc1c[nH]c(c1)-c2ccccc2 Amb20248434 [0,0,0,1,0,1|1,0,0]=3 3945 B14R2.8 COc1c[n]c(o1)-c2ccccc2 Amb25308890 [0,0,0,1,0,1|0,0,1]=3 3946 B14R2.8 COc1cc[n]([n]1)-c2ccccc2 Amb24086455 [0,0,0,1,0,1|1,0,0]=3 3947 B14R2.8 COc1ccc([nH]1)-c2ccccc2 Amb20248435 [0,0,0,1,0,1|1,0,0]=3 3948 B14R2.8 COc1onc(c1)c2ccccc2 Amb10553853 [0,0,0,1,0,1|2,0,0]=4 3949 B14R2.8 COc1onc(n1)c2ccccc2 Amb10553657 [0,0,0,1,0,1|2,0,0]=4 3950 B14R2.8 CSc1[nH]cc(n1)c2ccccc2 Amb1792184 [0,0,0,1,0,1|1,1,0]=4 3951 B14R2.8 CSc1cc(co1)-c2ccccc2 Amb24435930 [0,0,0,1,0,1|1,1,0]=4 3952 B14R2.19 Cc1cc(Nc2ccccc2)[n]o1 Amb25815758 [0,0,0,1,0,1|2,0,0]=4 3953 B14R2.19 Nc1onc(c1)Cc2ccccc2 Amb17233004 [0,0,0,1,0,1|2,0,0]=4 3954 B14R2.19 O=C1C=C(CO1)Nc2ccccc2 Amb22481357 [0,0,0,1,0,1|0,0,0]=2 3955 B14R2.19 O=C1C=C(CO1)Sc2ccccc2 Amb21928058 [0,0,0,1,0,1|0,0,0]=2 3956 B14R2.19 O=C1C=C(Cc2ccccc2)NN1 Amb25299854 [0,0,0,1,0,1|2,0,0]=4 3957 B14R2.19 O=C1C=C(Nc2ccccc2)NN1 Amb22049648 [0,0,0,1,0,1|2,0,0]=4 3958 B14R2.19 O=C1C=C(Nc2ccccc2)NO1 Amb24741763 [0,0,0,1,0,1|1,0,0]=3 3959 B14R2.19 O=C1C=CC(=Cc2ccccc2)O1 Amb24081371 [0,0,0,1,0,1|1,0,1]=4 3960 B14R2.19 O=C1CC(Nc2ccccc2)=NO1 Amb25192239 [0,0,0,1,0,1|1,0,1]=4 3961 B14R2.19 O=C1CCC(=C1)Sc2cc[n]cc2 Amb24565674 [0,0,0,1,0,1|2,0,0]=4 3962 B14R2.19 O=C1CCC(=C1)Sc2ccccc2 Amb25343199 [0,0,0,1,0,1|1,0,0]=3 3963 B14R2.19 O=C1CCC(Cc2cc[n]cc2)=C1 Amb24440775 [0,0,0,1,0,1|2,0,0]=4 3964 B14R2.19 O=C1CC\C(=C\c2ccccc2)\O1 Amb24490546 [0,0,0,1,0,1|1,0,0]=3 3965 B14R2.19 O=C1CC\C(\N1)=N\c2ccccc2 Amb24642454 [0,0,0,1,0,1|2,0,0]=4 3966 B14R2.19 O=C1CC\[N+](=C/c2ccccc2)\[N-]1 Amb2423893 [0,0,0,1,0,1|2,0,0]=4 3967 B14R2.19 O=C1CC\[N+](=C\c2ccccc2)\[N-]1 Amb24640748 [0,0,0,1,0,1|2,0,0]=4 3968 B14R2.19 O=C1CSC(=C1)Nc2ccccc2 Amb25365169 [0,0,0,1,0,1|2,0,0]=4 3969 B14R2.19 O=C1C\C(=C\c2ccccc2)\C=C1 Amb25233705 [0,0,0,1,0,1|1,0,1]=4 3970 B14R2.19 O=C1C\C(\CO1)=C\c2ccccc2 Amb24712490 [0,0,0,1,0,1|0,0,0]=2 3971 B14R2.19 O=C1NC(Cc2ccccc2)=NO1 Amb18184032 [0,0,0,1,0,1|1,0,1]=4 3972 B14R2.19 O=C1NC(Nc2ccccc2)=NO1 Amb25366198 [0,0,0,1,0,1|2,0,0]=4 3973 B14R2.19 O=C1OCC(O1)Sc2ccccc2 Amb25749160 [0,0,0,1,0,1|1,0,1]=4 3974 B14R2.19 O=C1ON=C(C1)Cc2ccccc2 Amb1099037 [0,0,0,1,0,1|1,0,1]=4 3975 B14R2.19 O=S1N=C(CO1)Nc2ccccc2 Amb25095293 [0,0,0,1,0,1|2,0,0]=4 3976 B14R2.19 OC1C\C(\CO1)=C\c2ccccc2 Amb22522086 [0,0,0,1,0,1|0,0,2]=4 3977 B14R2.19 Oc1cc(Cc2ccccc2)[n]o1 Amb20672899 [0,0,0,1,0,1|1,0,1]=4 3978 B14R2.31 O=C1CCC1\C=C\c2ccccc2 Amb25309301 [0,0,0,1,0,1|1,0,0]=3 3979 B14R2.68 O=C1C=CC(=NN1)c2ccccc2 Amb19514521 [0,0,0,1,0,1|2,0,0]=4 3980 B14R2.68 O=C1C=CC(=NO1)c2ccccc2 Amb19665399 [0,0,0,1,0,1|1,0,0]=3 3981 B14R2.68 O=C1C=CN(C=C1)c2ccccc2 Amb22522586 [0,0,0,1,0,1|1,0,1]=4 3982 B14R2.68 O=C1C=NC(=CN1)c2ccccc2 Amb20669858 [0,0,0,1,0,1|1,0,1]=4 3983 B14R2.68 O=C1C=NC(=NN1)c2ccccc2 Amb24183960 [0,0,0,1,0,1|2,0,0]=4 3984 B14R2.68 O=C1CCC(=NN1)c2ccccc2 Amb1017246 [0,0,0,1,0,1|2,0,0]=4 3985 B14R2.68 O=C1CCN(C=C1)c2ccccc2 Amb24570373 [0,0,0,1,0,1|1,0,0]=3 3986 B14R2.68 O=C1CNC(CO1)c2ccccc2 Amb18127910 [0,0,0,1,0,1|0,0,2]=4 3987 B14R2.68 O=C1CN[C@@H](CO1)c2ccccc2 Amb22748846 [0,0,0,1,0,1|0,0,2]=4 3988 B14R2.68 O=C1CN[C@H](CO1)c2ccccc2 Amb24052958 [0,0,0,1,0,1|0,0,2]=4 3989 B14R2.68 O=C1NC=C(C=N1)c2ccccc2 Amb18540687 [0,0,0,1,0,1|1,0,1]=4 3990 B14R2.68 O=C1NN=C(CO1)c2ccccc2 Amb24715861 [0,0,0,1,0,1|1,0,0]=3 3991 B14R2.68 O=C1NNC(=CN1)c2ccccc2 Amb25798347 [0,0,0,1,0,1|2,0,0]=4 3992 B14R2.68 O=C1NNC(C=C1)c2ccccc2 Amb17597676 [0,0,0,1,0,1|2,0,0]=4 3993 B14R2.68 O=C1[NH2+]C=C(C=N1)c2ccccc2 Amb17843327 [0,0,0,1,0,1|1,0,1]=4 3994 B14R2.68 O=c1ccc(n[nH]1)c2ccccc2 Amb1419861 [0,0,0,1,0,1|2,0,0]=4 3995 B14R2.95 C=CC(=O)c1c[nH]c2c1cccc2 Amb17594284 [0,0,0,1,0,1|1,0,1]=4 3996 B14R2.95 C=CC(=O)c1c[s]c2ccccc12 Amb25825739 [0,0,0,1,0,1|1,0,1]=4 3997 B14R2.95 C=CC(=O)c1coc2ccccc12 Amb25842127 [0,0,0,1,0,1|1,0,1]=4 3998 B14R2.95 CCC(=O)c1[n][s]c2ccccc21 Amb25268359 [0,0,0,1,0,1|2,0,0]=4 3999 B14R2.95 CCC(=O)c1[n]c[n]2ccccc21 Amb25079202 [0,0,0,1,0,1|2,0,0]=4 4000 B14R2.95 CCC(=O)c1c[nH]c2cc[n]cc21 Amb24452384 [0,0,0,1,0,1|2,0,0]=4 4001 B14R2.95 CCC(=O)c1c[n]c2cccc[n]12 Amb24459884 [0,0,0,1,0,1|2,0,0]=4 4002 B14R2.95 CCC(=O)c1ccc2cccc[n]21 Amb18148937 [0,0,0,1,0,1|2,0,0]=4 4003 B14R2.95 CCC(=O)c1coc2ccccc12 Amb25086526 [0,0,0,1,0,1|1,0,0]=3 4004 B14R2.95 CCC(=O)c1occ2ccccc21 Amb25374039 [0,0,0,1,0,1|1,0,0]=3 4005 B14R2.95 CCC(=O)n1cnc2c1cccc2 Amb1205539 [0,0,0,1,0,1|2,0,0]=4 4006 B14R2.95 CNC(=N)c1coc2ccccc12 Amb24492152 [0,0,0,1,0,1|2,0,0]=4 4007 B14R2.95 CNC(=O)[n]1c[n]c2ccccc12 Amb24310272 [0,0,0,1,0,1|2,0,0]=4 4008 B14R2.95 CNC(=O)c1c[nH]c2[n]cccc12 Amb25358395 [0,0,0,1,0,1|2,0,0]=4 4009 B14R2.95 CNC(=O)c1c[nH]c2ccc[n]c12 Amb25802637 [0,0,0,1,0,1|2,0,0]=4 4010 B14R2.95 CNC(=O)c1c[n][n]2ccccc21 Amb24395872 [0,0,0,1,0,1|2,0,0]=4 4011 B14R2.95 CNC(=O)c1c[n]c2cccc[n]12 Amb25837700 [0,0,0,1,0,1|2,0,0]=4 4012 B14R2.95 CNC(=O)c1cc[n]2ccccc21 Amb25270028 [0,0,0,1,0,1|2,0,0]=4 4013 B14R2.95 CNC(=O)c1coc2ccccc12 Amb25065021 [0,0,0,1,0,1|1,0,0]=3 4014 B14R2.95 CNC(=S)[n]1ccc2ccccc12 Amb24470175 [0,0,0,1,0,1|1,1,0]=4 4015 B14R2.95 COC(=N)[n]1c[n]c2ccccc12 Amb24078479 [0,0,0,1,0,1|2,0,0]=4 4016 B14R2.95 COC(=N)c1[n]c[n]2ccccc21 Amb23560046 [0,0,0,1,0,1|2,0,0]=4 4017 B14R2.95 COC(=N)c1c[nH]c2ccccc12 Amb22475108 [0,0,0,1,0,1|1,0,0]=3 4018 B14R2.95 COC(=N)c1c[nH]c2ccccc12 Amb22893527 [0,0,0,1,0,1|1,0,0]=3 4019 B14R2.95 COC(=N)c1c[s]c2ccccc12 Amb19073373 [0,0,0,1,0,1|1,0,0]=3 4020 B14R2.95 COC(=O)C1CCc2c1cccc2 Amb10563171 [0,0,0,1,0,1|0,0,2]=4 4021 B14R2.95 COC(=O)C1CNc2ccccc21 Amb19320764 [0,0,0,1,0,1|0,0,2]=4 4022 B14R2.95 COC(=O)C1CNc2ccccc21 Amb22234034 [0,0,0,1,0,1|0,0,2]=4 4023 B14R2.95 COC(=O)C1COc2ccccc21 Amb22059417 [0,0,0,1,0,1|0,0,2]=4 4024 B14R2.95 COC(=O)C1CSc2ccccc21 Amb24489808 [0,0,0,1,0,1|0,0,2]=4 4025 B14R2.95 COC(=O)C1NCc2c1cccc2 Amb10066941 [0,0,0,1,0,1|0,0,2]=4 4026 B14R2.95 COC(=O)C1NCc2ccccc21 Amb22490554 [0,0,0,1,0,1|0,0,2]=4 4027 B14R2.95 COC(=O)[C@H]1NCc2ccccc21 Amb25780034 [0,0,0,1,0,1|0,0,2]=4 4028 B14R2.95 COC(=O)[n]1[n]cc2ccccc12 Amb25709542 [0,0,0,1,0,1|1,0,0]=3 4029 B14R2.95 COC(=O)[n]1c[n]c2ccccc12 Amb24078482 [0,0,0,1,0,1|1,0,0]=3 4030 B14R2.95 COC(=O)[n]1ccc2ccccc12 Amb24106374 [0,0,0,1,0,1|0,0,0]=2 4031 B14R2.95 COC(=O)c1[nH]cc2ccccc21 Amb22499248 [0,0,0,1,0,1|0,0,0]=2 4032 B14R2.95 COC(=O)c1[n][nH]c2[n]cccc12 Amb21960711 [0,0,0,1,0,1|2,0,0]=4 4033 B14R2.95 COC(=O)c1[n][nH]c2ccc[n]c21 Amb22233567 [0,0,0,1,0,1|2,0,0]=4 4034 B14R2.95 COC(=O)c1[n][n][n]2ccccc21 Amb25142185 [0,0,0,1,0,1|2,0,0]=4 4035 B14R2.95 COC(=O)c1[n][n]c2cccc[n]21 Amb23449896 [0,0,0,1,0,1|2,0,0]=4 4036 B14R2.95 COC(=O)c1[n]c[n]2[n]cccc21 Amb25192712 [0,0,0,1,0,1|2,0,0]=4 4037 B14R2.95 COC(=O)c1[n]cc2c[n]cc[n]21 Amb25157008 [0,0,0,1,0,1|2,0,0]=4 4038 B14R2.95 COC(=O)c1[n]oc2[n]cccc12 Amb24547884 [0,0,0,1,0,1|2,0,0]=4 4039 B14R2.95 COC(=O)c1[n]oc2c[n]ccc12 Amb24715200 [0,0,0,1,0,1|2,0,0]=4 4040 B14R2.95 COC(=O)c1[n]oc2ccccc12 Amb23437527 [0,0,0,1,0,1|1,0,0]=3 4041 B14R2.95 COC(=O)c1[s]cc2ccccc21 Amb24066382 [0,0,0,1,0,1|0,0,0]=2 4042 B14R2.95 COC(=O)c1c[nH]c2[n]c[n]cc12 Amb22500638 [0,0,0,1,0,1|2,0,0]=4 4043 B14R2.95 COC(=O)c1c[nH]c2c[n]ccc12 Amb19959277 [0,0,0,1,0,1|1,0,0]=3 4044 B14R2.95 COC(=O)c1c[nH]c2cc[n]cc21 Amb22276019 [0,0,0,1,0,1|1,0,0]=3 4045 B14R2.95 COC(=O)c1c[n][n]2[n]cccc21 Amb24659222 [0,0,0,1,0,1|2,0,0]=4 4046 B14R2.95 COC(=O)c1c[n]c2c[n]cc[n]12 Amb23401669 [0,0,0,1,0,1|2,0,0]=4 4047 B14R2.95 COC(=O)c1c[n]c2cccc[n]12 Amb22755529 [0,0,0,1,0,1|1,0,0]=3 4048 B14R2.95 COC(=O)c1c[s]c2c[n]c[n]c21 Amb24490881 [0,0,0,1,0,1|2,0,0]=4 4049 B14R2.95 COC(=O)c1c[s]c2c[n]ccc21 Amb24066969 [0,0,0,1,0,1|1,0,0]=3 4050 B14R2.95 COC(=O)c1c[s]c2ccccc12 Amb18330285 [0,0,0,1,0,1|0,0,0]=2 4051 B14R2.95 COC(=O)c1cc[n]2ccccc21 Amb20241327 [0,0,0,1,0,1|1,0,0]=3 4052 B14R2.95 COC(=O)c1ccc2ccc[n][n]21 Amb24382767 [0,0,0,1,0,1|2,0,0]=4 4053 B14R2.95 COC(=O)c1ccc2cccc[n]21 Amb24119647 [0,0,0,1,0,1|1,0,0]=3 4054 B14R2.95 COC(=O)c1cnn2c1cccc2 Amb10067849 [0,0,0,1,0,1|1,0,0]=3 4055 B14R2.95 COC(=O)c1cnn2c1nccc2 Amb1043860 [0,0,0,1,0,1|2,0,0]=4 4056 B14R2.95 COC(=O)c1coc2c[n]ccc12 Amb25714999 [0,0,0,1,0,1|1,0,0]=3 4057 B14R2.95 COC(=O)c1coc2ccccc12 Amb22269388 [0,0,0,1,0,1|0,0,0]=2 4058 B14R2.95 COC(=O)c1n[nH]c2c1cccc2 Amb2223290 [0,0,0,1,0,1|1,0,0]=3 4059 B14R2.95 COC(=O)c1onc2c1cccc2 Amb10553624 [0,0,0,1,0,1|1,0,0]=3 4060 B14R2.95 COC(=O)n1nnc2c1cccc2 Amb10559902 [0,0,0,1,0,1|2,0,0]=4 4061 B14R2.95 COC(C)[n]1ccc2ccccc12 Amb25280039 [0,0,0,1,0,1|1,0,1]=4 4062 B14R2.95 CSC(=C)c1c[nH]c2ccccc12 Amb25376991 [0,0,0,1,0,1|1,1,0]=4 4063 B14R2.95 CSC(=S)c1c[nH]c2ccccc12 Amb25770076 [0,0,0,1,0,1|0,2,0]=4 4064 B14R2.95 ClCC(=O)c1c[nH]c2c1cccc2 Amb1206800 [0,0,0,1,0,1|2,0,0]=4 4065 B14R2.95 N#CC(=O)c1coc2ccccc12 Amb24534522 [0,0,0,1,0,1|2,0,0]=4 4066 B14R2.95 NCC(=O)c1c[nH]c2ccccc12 Amb22584108 [0,0,0,1,0,1|2,0,0]=4 4067 B14R2.95 NCC(=O)c1c[s]c2ccccc12 Amb18910163 [0,0,0,1,0,1|2,0,0]=4 4068 B14R2.95 NCC(=O)c1coc2ccccc12 Amb18197463 [0,0,0,1,0,1|2,0,0]=4 4069 B14R2.95 NNC(=O)[n]1ccc2ccccc12 Amb24501406 [0,0,0,1,0,1|2,0,0]=4 4070 B14R2.95 O=C(C=O)c1[s]cc2ccccc21 Amb25298460 [0,0,0,1,0,1|2,0,0]=4 4071 B14R2.95 O=C(C=O)c1c[nH]c2ccccc21 Amb18127019 [0,0,0,1,0,1|2,0,0]=4 4072 B14R2.95 O=C(C=O)c1c[s]c2ccccc21 Amb24490402 [0,0,0,1,0,1|2,0,0]=4 4073 B14R2.95 O=C(CCl)[n]1ccc2ccccc12 Amb25257982 [0,0,0,1,0,1|2,0,0]=4 4074 B14R2.95 O=C(CCl)c1coc2ccccc12 Amb25362239 [0,0,0,1,0,1|2,0,0]=4 4075 B14R2.95 O=C(CI)c1c[nH]c2ccccc12 Amb22886713 [0,0,0,1,0,1|2,0,0]=4 4076 B14R2.95 OCC(=O)C1=CCc2ccccc12 Amb25706926 [0,0,0,1,0,1|2,0,0]=4 4077 B14R2.95 OCC(=O)c1coc2ccccc12 Amb18808835 [0,0,0,1,0,1|2,0,0]=4 4078 B14R2.95 ONC(=O)c1c[s]c2ccccc12 Amb18330378 [0,0,0,1,0,1|2,0,0]=4 4079 B14R2.95 [Li]OC(=O)n1ccc2c1cccc2 Amb10553136 [0,0,0,1,0,1|1,0,0]=3 4080 B14R2.279 CC1C(=O)CC=Cc2ccccc21 Amb25838678 [0,0,0,1,0,1|1,0,0]=3 4081 B14R2.280 O=C1CC=Cc2ccccc2CC1 Amb25834467 [0,0,0,1,0,1|1,0,0]=3 4082 B14R2.280 O=C1COc2ccccc2CC=C1 Amb24424860 [0,0,0,1,0,1|2,0,0]=4 4083 B14R2.427 O=C1C=C(Nc2ccccc2)C1=O Amb22171800 [0,0,0,1,0,1|2,0,0]=4 4084 B14R2.427 O=C1C=C(Sc2ccccc2)C1=O Amb25815276 [0,0,0,1,0,1|2,0,0]=4 4085 B14R2.958 COC(=O)C1N=C1c2ccccc2 Amb22325239 [0,0,0,1,0,1|0,0,1]=3 4086 B14R2.958 COC(=O)N1CC1c2ccccc2 Amb1039317 [0,0,0,1,0,1|0,0,2]=4 4087 B14R2.958 COC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb24526297 [0,0,0,1,0,1|0,0,2]=4 4088 B14R2.3459 COC1(C)NC=Cc2ccccc12 Amb25111170 [0,0,0,1,0,1|1,0,1]=4 4089 B14R2.4514 CC1C(=O)NC=C1c2ccccc2 Amb16225831 [0,0,0,1,0,1|1,0,0]=3 4090 B14R2.4514 CC1C(=O)ON=C1c2ccccc2 Amb25675398 [0,0,0,1,0,1|2,0,0]=4 4091 B14R2.4514 CC1C(C=CC1=O)c2ccccc2 Amb25859267 [0,0,0,1,0,1|1,0,0]=3 4092 B14R2.4514 CC=1C(=O)CCC1c2ccccc2 Amb24408335 [0,0,0,1,0,1|1,0,1]=4 4093 B14R2.4514 CN1C(=N)SC=C1c2ccccc2 Amb19203330 [0,0,0,1,0,1|2,0,0]=4 4094 B14R2.4514 CN1C(=N)SC=C1c2ccccc2 Amb21866913 [0,0,0,1,0,1|2,0,0]=4 4095 B14R2.4514 CN1C(=O)C=CN1c2ccccc2 Amb19767333 [0,0,0,1,0,1|1,0,0]=3 4096 B14R2.4514 CN1C(=O)NC=C1c2cccc[n]2 Amb24664066 [0,0,0,1,0,1|2,0,0]=4 4097 B14R2.4514 CN1C(=O)SC=C1c2cccc[n]2 Amb25316873 [0,0,0,1,0,1|2,0,0]=4 4098 B14R2.4514 CN1C(=S)NC=C1c2ccccc2 Amb21937135 [0,0,0,1,0,1|1,1,0]=4 4099 B14R2.4514 CN1C(=S)SC=C1c2ccccc2 Amb22730579 [0,0,0,1,0,1|1,1,0]=4 4100 B14R2.4514 CN1C(=[NH2+])SC=C1c2ccccc2 Amb22564991 [0,0,0,1,0,1|2,0,0]=4 4101 B14R2.4514 C[n+]1c(N)c[s]c1-c2ccccc2 Amb25334825 [0,0,0,1,0,1|2,0,0]=4 4102 B14R2.4514 C[n]1c(Br)[n]cc1-c2ccccc2 Amb24456921 [0,0,0,1,0,1|2,0,0]=4 4103 B14R2.4514 C[n]1c(Br)c[n]c1-c2ccccc2 Amb22900007 [0,0,0,1,0,1|2,0,0]=4 4104 B14R2.4514 C[n]1c(I)[n]cc1-c2ccccc2 Amb24397088 [0,0,0,1,0,1|2,0,0]=4 4105 B14R2.4514 C[n]1c(I)c[n]c1-c2ccccc2 Amb22900008 [0,0,0,1,0,1|2,0,0]=4 4106 B14R2.4514 C[n]1c(N)c[n]c1-c2ccccc2 Amb18673487 [0,0,0,1,0,1|2,0,0]=4 4107 B14R2.4514 Cc1c(c[s]c1C)-c2ccccc2 Amb24714692 [0,0,0,1,0,1|2,0,0]=4 4108 B14R2.4514 Cc1c[nH]c(-c2ccccc2)c1C Amb24346774 [0,0,0,1,0,1|2,0,0]=4 4109 B14R2.4514 Cc1ccc(n1C)c2ccccc2 Amb17232815 [0,0,0,1,0,1|2,0,0]=4 4110 B14R2.4514 Cn1c(=S)scc1c2ccccc2 Amb10553848 [0,0,0,1,0,1|1,1,0]=4 4111 B14R2.4514 Cn1c(Cl)cnc1c2ccccc2 Amb2422867 [0,0,0,1,0,1|2,0,0]=4 4112 B14R2.4514 Cn1c(N)ncc1c2ccccc2 Amb2236688 [0,0,0,1,0,1|2,0,0]=4 4113 B14R2.4514 NN1C(=O)NC=C1c2ccccc2 Amb18127428 [0,0,0,1,0,1|2,0,0]=4 4114 B14R2.4514 O=C1C(=CNC1=O)c2ccccc2 Amb25192458 [0,0,0,1,0,1|2,0,0]=4 4115 B14R2.4514 O=c1o[nH]c(c1C)c2ccccc2 Amb10553850 [0,0,0,1,0,1|2,0,0]=4 4116 B14R2.4514 OC1C(C=CC1=O)c2ccccc2 Amb25262773 [0,0,0,1,0,1|2,0,0]=4 4117 B14R2.35816 COC(=O)NC1Cc2ccccc21 Amb25725896 [0,0,0,1,0,1|0,0,2]=4 4118 B14R2.5672 O=C1CCC=2CC(=CC=CC2)C=C1 Amb24370132 [0,0,0,1,0,1|1,0,0]=3 4119 B14R2.21 O=C1C=C(C=NN1)c2ccccc2 Amb25859226 [0,1,0,1,0,0|1,0,1]=4 4120 B14R2.21 O=C1C=C(N=CN1)c2ccccc2 Amb18001789 [0,1,0,1,0,0|1,0,1]=4 4121 B14R2.21 O=C1C=C(OC=C1)c2ccccc2 Amb22750060 [0,1,0,1,0,0|1,0,1]=4 4122 B14R2.21 O=C1CC(CCO1)c2ccccc2 Amb22499444 [0,1,0,1,0,0|0,0,2]=4 4123 B14R2.21 O=C1CCCC(=C1)c2cc[n]cc2 Amb25730131 [0,1,0,1,0,0|2,0,0]=4 4124 B14R2.21 O=C1CCNC(=N1)c2ccccc2 Amb25053953 [0,1,0,1,0,0|2,0,0]=4 4125 B14R2.21 O=C1CCOC(=C1)c2ccccc2 Amb22750040 [0,1,0,1,0,0|1,0,0]=3 4126 B14R2.21 O=C1COCC(N1)c2ccccc2 Amb21864800 [0,1,0,1,0,0|1,0,1]=4 4127 B14R2.21 O=C1COC[C@@H](N1)c2ccccc2 Amb24181880 [0,1,0,1,0,0|1,0,1]=4 4128 B14R2.21 O=C1COC[C@H](N1)c2ccccc2 Amb24654701 [0,1,0,1,0,0|1,0,1]=4 4129 B14R2.21 O=C1C[C@@H](CCO1)c2ccccc2 Amb25113432 [0,1,0,1,0,0|0,0,2]=4 4130 B14R2.21 O=C1NCC=C(N1)c2ccccc2 Amb25798331 [0,1,0,1,0,0|2,0,0]=4 4131 B14R2.21 O=C1NCC=C(O1)c2ccccc2 Amb23596887 [0,1,0,1,0,0|2,0,0]=4 4132 B14R2.21 O=C1N[C@@H](CCO1)c2ccccc2 Amb25153780 [0,1,0,1,0,0|1,0,1]=4 4133 B14R2.21 O=C1N[C@H](CCO1)c2ccccc2 Amb24427391 [0,1,0,1,0,0|1,0,1]=4 4134 B14R2.52 C=C1CC(O)c2ccccc2C=C1 Amb24355238 [0,1,0,1,0,0|2,0,0]=4 4135 B14R2.52 CC1=CC(=O)CCc2ccccc21 Amb24492363 [0,1,0,1,0,0|1,0,0]=3 4136 B14R2.52 CC1=CC(=O)c2ccccc2CO1 Amb25319953 [0,1,0,1,0,0|1,0,0]=3 4137 B14R2.52 O=C1CCc2c(C(=O)N1)cccc2 Amb17470514 [0,1,0,1,0,0|2,0,0]=4 4138 B14R2.52 O=C1CCc2c(C(=O)O1)cccc2 Amb17470546 [0,1,0,1,0,0|2,0,0]=4 4139 B14R2.52 O=C1NCc2ccccc2C(=O)N1 Amb25732496 [0,1,0,1,0,0|2,0,0]=4 4140 B14R2.260 CC1=NC(=CC1=O)c2ccccc2 Amb24432231 [0,1,0,1,0,0|1,0,0]=3 4141 B14R2.260 CC1OC(=CC1=O)c2ccccc2 Amb24620159 [0,1,0,1,0,0|1,0,0]=3 4142 B14R2.260 CN1C=C(NC1=O)c2ccccc2 Amb25790637 [0,1,0,1,0,0|2,0,0]=4 4143 B14R2.260 CN1N=C(CC1=O)c2ccccc2 Amb17712376 [0,1,0,1,0,0|1,0,1]=4 4144 B14R2.260 CN1NC(=CC1=O)c2ccccc2 Amb19769388 [0,1,0,1,0,0|1,0,0]=3 4145 B14R2.260 CN=1NC(=CC1N)c2ccccc2 Amb24193103 [0,1,0,1,0,0|2,0,0]=4 4146 B14R2.260 C[n+]1oc(cc1C)c2ccccc2 Amb10553455 [0,1,0,1,0,0|2,0,0]=4 4147 B14R2.260 C[n+]1oc(cc1C)c2ccccc2 Amb16757474 [0,1,0,1,0,0|2,0,0]=4 4148 B14R2.260 C[n+]1oc(cc1N)-c2ccccc2 Amb24452248 [0,1,0,1,0,0|2,0,0]=4 4149 B14R2.260 C[n]1[n]c(cc1Br)-c2ccccc2 Amb22301186 [0,1,0,1,0,0|2,0,0]=4 4150 B14R2.260 C[n]1[n]c(cc1Cl)-c2ccccc2 Amb22453272 [0,1,0,1,0,0|2,0,0]=4 4151 B14R2.260 C[n]1[n]c(cc1S)-c2ccccc2 Amb19073087 [0,1,0,1,0,0|1,1,0]=4 4152 B14R2.260 Cc1cc(cn1C)-c2ccccc2 Amb17666668 [0,1,0,1,0,0|2,0,0]=4 4153 B14R2.260 Cn1oc(cc1=O)c2ccccc2 Amb10553851 [0,1,0,1,0,0|1,0,0]=3 4154 B14R2.260 O=C1C=C(CC1=O)c2ccccc2 Amb24492584 [0,1,0,1,0,0|1,0,0]=3 4155 B14R2.260 OC1CC(=NC1=O)c2ccccc2 Amb25357649 [0,1,0,1,0,0|2,0,0]=4 4156 B14R2.335 O=C1CCC1C(=O)c2ccccc2 Amb25767043 [0,1,0,1,0,0|1,0,1]=4 4157 B14R2.335 O=C1CCN1C(=O)c2ccccc2 Amb25855874 [0,1,0,1,0,0|2,0,0]=4 4158 B14R2.1019 CCC1=CC(=O)c2ccccc2N1 Amb18790004 [0,1,0,1,0,0|2,0,0]=4 4159 B14R2.1019 CCC1=CC(=O)c2ccccc2O1 Amb18048528 [0,1,0,1,0,0|1,0,1]=4 4160 B14R2.1019 CCc1cc(N)c2ccccc2[n]1 Amb18946867 [0,1,0,1,0,0|2,0,0]=4 4161 B14R2.1019 CCc1cc(O)c2ccccc2[n]1 Amb22410671 [0,1,0,1,0,0|2,0,0]=4 4162 B14R2.1019 CCc1cc2ccccc2c(N)c1 Amb18126820 [0,1,0,1,0,0|2,0,0]=4 4163 B14R2.1019 CNc1cc(Cl)c2ccccc2[n]1 Amb25053425 [0,1,0,1,0,0|2,0,0]=4 4164 B14R2.1019 COC1=CC(=O)c2ccccc2O1 Amb22753593 [0,1,0,1,0,0|0,0,1]=3 4165 B14R2.1019 COC1=Cc2ccccc2C(=O)N1 Amb24394335 [0,1,0,1,0,0|2,0,0]=4 4166 B14R2.1019 COC1=Cc2ccccc2C(=O)O1 Amb24103762 [0,1,0,1,0,0|2,0,0]=4 4167 B14R2.1019 COC=1NC(=O)c2ccccc2N1 Amb21964345 [0,1,0,1,0,0|2,0,0]=4 4168 B14R2.1019 COc1[n]c2ccccc2c(N)[n]1 Amb25258020 [0,1,0,1,0,0|2,0,0]=4 4169 B14R2.1019 COc1c[n+]([O-])c2ccccc2[n]1 Amb24371120 [0,1,0,1,0,0|2,0,0]=4 4170 B14R2.1019 COc1cc(=O)n2c(n1)cccc2 Amb10553643 [0,1,0,1,0,0|2,0,0]=4 4171 B14R2.1019 COc1cc(Br)c2[n]cccc2c1 Amb21963302 [0,1,0,1,0,0|2,0,0]=4 4172 B14R2.1019 COc1cc(Br)c2ccc[n]c2c1 Amb24076016 [0,1,0,1,0,0|2,0,0]=4 4173 B14R2.1019 COc1cc(Br)c2ccccc2[n]1 Amb24490818 [0,1,0,1,0,0|1,0,0]=3 4174 B14R2.1019 COc1cc(Cl)c2[n]cccc2[n]1 Amb24364636 [0,1,0,1,0,0|2,0,0]=4 4175 B14R2.1019 COc1cc(Cl)c2[n]cccc2c1 Amb20670601 [0,1,0,1,0,0|2,0,0]=4 4176 B14R2.1019 COc1cc(Cl)c2ccccc2[n]1 Amb21962606 [0,1,0,1,0,0|1,0,0]=3 4177 B14R2.1019 COc1cc(F)c2[n]cccc2c1 Amb22495147 [0,1,0,1,0,0|2,0,0]=4 4178 B14R2.1019 COc1cc(F)c2ccc[n]c2c1 Amb25132477 [0,1,0,1,0,0|2,0,0]=4 4179 B14R2.1019 COc1cc(I)c2[n]cccc2c1 Amb23437327 [0,1,0,1,0,0|2,0,0]=4 4180 B14R2.1019 COc1cc(N)c2[n]cccc2c1 Amb20672000 [0,1,0,1,0,0|2,0,0]=4 4181 B14R2.1019 COc1cc(N)c2c(c1)cccn2 Amb1094006 [0,1,0,1,0,0|2,0,0]=4 4182 B14R2.1019 COc1cc(N)c2c(c1)cccn2 Amb16227250 [0,1,0,1,0,0|2,0,0]=4 4183 B14R2.1019 COc1cc(O)c2c(c1)cccn2 Amb13883518 [0,1,0,1,0,0|2,0,0]=4 4184 B14R2.1019 COc1cc(O)c2ccccc2[n]1 Amb18127378 [0,1,0,1,0,0|1,0,0]=3 4185 B14R2.1019 COc1cc2ccccc2c(Cl)c1 Amb24417708 [0,1,0,1,0,0|1,0,0]=3 4186 B14R2.1019 COc1cc2ccccc2c(F)c1 Amb25060592 [0,1,0,1,0,0|1,0,0]=3 4187 B14R2.1019 COc1cc2ccccc2c(I)c1 Amb24382666 [0,1,0,1,0,0|1,0,0]=3 4188 B14R2.1019 COc1cc2ccccc2c(N)[n]1 Amb24649975 [0,1,0,1,0,0|2,0,0]=4 4189 B14R2.1019 COc1cc2ccccc2c(O)c1 Amb18127199 [0,1,0,1,0,0|1,0,0]=3 4190 B14R2.1019 CSC1=CC(=O)c2ccccc2S1 Amb19667918 [0,1,0,1,0,0|0,2,0]=4 4191 B14R2.1019 CSc1cc(Cl)c2ccccc2[n]1 Amb24472663 [0,1,0,1,0,0|1,1,0]=4 4192 B14R2.1019 Cc1[n]c([n]c2ccccc12)OC Amb25178850 [0,1,0,1,0,0|2,0,0]=4 4193 B14R2.1019 Cc1cc([n]c2ccccc12)OC Amb22498113 [0,1,0,1,0,0|1,0,0]=3 4194 B14R2.1019 Cc1cc(cc2ccc[n]c12)OC Amb23437328 [0,1,0,1,0,0|2,0,0]=4 4195 B14R2.1019 Cc1cc(cc2ccccc12)NC Amb25068934 [0,1,0,1,0,0|2,0,0]=4 4196 B14R2.1019 Cc1cc(cc2ccccc12)OC Amb24652139 [0,1,0,1,0,0|1,0,0]=3 4197 B14R2.2950 CC1(COC(=O)N1)c2ccccc2 Amb23454646 [0,1,0,1,0,0|1,0,1]=4 4198 B14R2.2950 C[C@@]1(COC(=O)N1)c2ccccc2 Amb24344040 [0,1,0,1,0,0|1,0,1]=4 4199 B14R2.7724 CC1=CC(=N)c2ccccc2N1C Amb19518966 [0,1,0,1,0,0|2,0,0]=4 4200 B14R2.7724 CC1=CC(=N)c2ccccc2N1C Amb19816187 [0,1,0,1,0,0|2,0,0]=4 4201 B14R2.7724 CC1=CC(=O)N(C)c2ccccc12 Amb19653965 [0,1,0,1,0,0|1,0,0]=3 4202 B14R2.7724 CC1=CC(=O)N(N)c2ccccc21 Amb18647836 [0,1,0,1,0,0|2,0,0]=4 4203 B14R2.7724 CC1=CC(=O)c2ccccc2N1C Amb22750765 [0,1,0,1,0,0|2,0,0]=4 4204 B14R2.7724 CC1=CC(=[NH2+])c2ccccc2N1C Amb22564828 [0,1,0,1,0,0|2,0,0]=4 4205 B14R2.7724 CC1c2ccccc2C(=O)NC1=O Amb22364372 [0,1,0,1,0,0|2,0,0]=4 4206 B14R2.7724 CC1c2ccccc2C(=O)OC1=O Amb23580671 [0,1,0,1,0,0|2,0,0]=4 4207 B14R2.7724 CN1C(=O)C=C(Br)c2ccccc12 Amb21962690 [0,1,0,1,0,0|1,0,0]=3 4208 B14R2.7724 CN1C(=O)C=C(Cl)c2ccccc12 Amb17997066 [0,1,0,1,0,0|1,0,0]=3 4209 B14R2.7724 CN1C(=O)C=C(N)c2ccccc12 Amb18127278 [0,1,0,1,0,0|1,0,0]=3 4210 B14R2.7724 CN1C(=O)C=C(O)c2ccc[n]c12 Amb21934000 [0,1,0,1,0,0|2,0,0]=4 4211 B14R2.7724 CN1C(=O)C=C(O)c2ccccc12 Amb18011109 [0,1,0,1,0,0|1,0,0]=3 4212 B14R2.7724 CN1C(O)=CC(=O)c2ccccc12 Amb22564234 [0,1,0,1,0,0|1,0,1]=4 4213 B14R2.7724 CN1c2ccccc2C(=O)NC1=O Amb19516832 [0,1,0,1,0,0|2,0,0]=4 4214 B14R2.7724 CN1c2ccccc2C(=O)OC1=O Amb17933878 [0,1,0,1,0,0|2,0,0]=4 4215 B14R2.7724 C[n+]1c(C)cc(c2c1cccc2)N Amb10573352 [0,1,0,1,0,0|2,0,0]=4 4216 B14R2.7724 C[n+]1c2ccccc2c(Cl)cc1Cl Amb22484087 [0,1,0,1,0,0|2,0,0]=4 4217 B14R2.7724 C[n]1c(=O)[n]c(Cl)c2ccccc12 Amb24065912 [0,1,0,1,0,0|2,0,0]=4 4218 B14R2.7724 Cc1c(Br)cc(N)c2ccccc21 Amb25180240 [0,1,0,1,0,0|2,0,0]=4 4219 B14R2.7724 Cc1c(N)cc(Br)c2ccccc21 Amb25099460 [0,1,0,1,0,0|2,0,0]=4 4220 B14R2.7724 Cc1c(O)cc(Cl)c2ccccc21 Amb25093637 [0,1,0,1,0,0|1,0,1]=4 4221 B14R2.7724 Cc1c2ccccc2c(O)cc1O Amb18127200 [0,1,0,1,0,0|1,0,1]=4 4222 B14R2.7724 Cc1cc(C)[n+](C)c2ccccc12 Amb22446712 [0,1,0,1,0,0|2,0,0]=4 4223 B14R2.7724 Cc1cc(Cl)c2ccccc2[n+]1C Amb22359536 [0,1,0,1,0,0|2,0,0]=4 4224 B14R2.7724 Cc1cc(Cl)c2ccccc2[n+]1C Amb22359572 [0,1,0,1,0,0|2,0,0]=4 4225 B14R2.7724 Cc1cc(N)c2ccccc2c1C Amb18647537 [0,1,0,1,0,0|2,0,0]=4 4226 B14R2.7724 O=C1C=C(N)c2c(C1=O)cccc2 Amb17594342 [0,1,0,1,0,0|2,0,0]=4 4227 B14R2.7724 O=C1CC(=O)c2c(N1C)cccc2 Amb1421567 [0,1,0,1,0,0|1,0,1]=4 4228 B14R2.7724 OC1=CC(=O)N(O)c2ccccc12 Amb24099112 [0,1,0,1,0,0|2,0,0]=4 4229 B14R2.10654 CO\C(\O)=C/1\C(=O)c2ccccc21 Amb24544620 [0,1,0,1,0,0|0,0,1]=3 4230 B14R2.10654 CO\C(\O)=C\1/C(=O)c2ccccc21 Amb25143501 [0,1,0,1,0,0|0,0,1]=3 4231 B14R2.20 Brc1ccc(cc1)-c2cc(Br)o[n]2 Amb25054385 [0,1,0,1,0,0|2,0,0]=4 4232 B14R2.20 Brc1ccc(cc1)c2noc(c2)N Amb1353201 [0,1,0,1,0,0|2,0,0]=4 4233 B14R2.20 Cc1cc([n]o1)-c2ccc(O)cc2 Amb18127371 [0,1,0,1,0,0|2,0,0]=4 4234 B14R2.20 Cc1cc(co1)-c2ccc(Br)cc2 Amb25063216 [0,1,0,1,0,0|1,0,1]=4 4235 B14R2.20 Cc1cc(co1)-c2ccc(Cl)cc2 Amb24712561 [0,1,0,1,0,0|1,0,1]=4 4236 B14R2.20 Cc1ccc(c[n]1)C=2CCC(=O)C2 Amb24734526 [0,1,0,1,0,0|2,0,0]=4 4237 B14R2.20 Cc1ccc(cc1)-c2cc(C)oc2 Amb25783839 [0,1,0,1,0,0|1,0,1]=4 4238 B14R2.20 Cc1ccc(cc1)-c2cc(N)o[n]2 Amb17658991 [0,1,0,1,0,0|2,0,0]=4 4239 B14R2.20 Cc1ccc(cc1)C2COC(=O)N2 Amb25082390 [0,1,0,1,0,0|1,0,1]=4 4240 B14R2.20 Cc1ccc(cc1)C=2CC(=O)ON2 Amb24548209 [0,1,0,1,0,0|1,0,1]=4 4241 B14R2.20 Cc1ccc(cc1)c2coc(c2)Br Amb10600679 [0,1,0,1,0,0|1,0,1]=4 4242 B14R2.20 Cc1ccc(cc1)c2noc(c2)N Amb1153655 [0,1,0,1,0,0|2,0,0]=4 4243 B14R2.20 Clc1cc([n]o1)-c2ccc(Br)cc2 Amb22584330 [0,1,0,1,0,0|2,0,0]=4 4244 B14R2.20 Clc1ccc(cc1)-c2cc(Br)o[n]2 Amb25731957 [0,1,0,1,0,0|2,0,0]=4 4245 B14R2.20 Clc1ccc(cc1)-c2cc(Cl)o[n]2 Amb22584331 [0,1,0,1,0,0|2,0,0]=4 4246 B14R2.20 Clc1ccc(cc1)c2noc(c2)N Amb1105291 [0,1,0,1,0,0|2,0,0]=4 4247 B14R2.20 Fc1ccc(cc1)c2coc(c2)Br Amb10600681 [0,1,0,1,0,0|1,0,1]=4 4248 B14R2.20 Fc1ccc(cc1)c2noc(c2)N Amb1105726 [0,1,0,1,0,0|2,0,0]=4 4249 B14R2.20 Nc1cc([n]o1)-c2ccc(Br)cc2 Amb17658993 [0,1,0,1,0,0|2,0,0]=4 4250 B14R2.20 Nc1cc([n]o1)-c2ccc(F)cc2 Amb17658994 [0,1,0,1,0,0|2,0,0]=4 4251 B14R2.20 Nc1cc(co1)-c2ccc(Br)cc2 Amb18732753 [0,1,0,1,0,0|1,0,1]=4 4252 B14R2.20 Nc1ccc(cc1)C2=CC(=O)NN2 Amb19514381 [0,1,0,1,0,0|2,0,0]=4 4253 B14R2.20 Nc1ccc(cc1)C2=CC(=O)SS2 Amb25840374 [0,1,0,1,0,0|1,1,0]=4 4254 B14R2.20 Nc1ccc(cc1)C=2NC(=O)ON2 Amb19308491 [0,1,0,1,0,0|2,0,0]=4 4255 B14R2.20 Nc1ccc(cc1)C=2NC(=O)ON2 Amb22292039 [0,1,0,1,0,0|2,0,0]=4 4256 B14R2.20 Nc1ccc(cc1)c2noc(c2)C Amb17138721 [0,1,0,1,0,0|2,0,0]=4 4257 B14R2.20 O=C1C=C(CN1)c2ccc(F)cc2 Amb25698415 [0,1,0,1,0,0|1,0,0]=3 4258 B14R2.20 O=C1C=C(CO1)c2ccc(F)cc2 Amb25135231 [0,1,0,1,0,0|0,0,0]=2 4259 B14R2.20 O=C1C=C(NN1)c2ccc(Cl)cc2 Amb19804642 [0,1,0,1,0,0|2,0,0]=4 4260 B14R2.20 O=C1C=C(NN1)c2ccc(F)cc2 Amb19804596 [0,1,0,1,0,0|2,0,0]=4 4261 B14R2.20 O=C1CC(=NO1)c2ccc(F)cc2 Amb24376264 [0,1,0,1,0,0|1,0,1]=4 4262 B14R2.20 O=C1CC(CO1)c2ccc(Cl)cc2 Amb24097675 [0,1,0,1,0,0|0,0,2]=4 4263 B14R2.20 O=C1CCC(=C1)c2ccc(cc2)Br Amb17158297 [0,1,0,1,0,0|1,0,0]=3 4264 B14R2.20 O=C1CCC(=C1)c2ccc(cc2)C Amb17138689 [0,1,0,1,0,0|1,0,0]=3 4265 B14R2.20 O=C1CCC(=C1)c2ccc(cc2)Cl Amb17139382 [0,1,0,1,0,0|1,0,0]=3 4266 B14R2.20 O=C1CCC(=C1)c2ccc(cc2)F Amb17138772 [0,1,0,1,0,0|1,0,0]=3 4267 B14R2.20 O=C1NC(=NO1)c2ccc(Br)cc2 Amb22001449 [0,1,0,1,0,0|2,0,0]=4 4268 B14R2.20 O=C1NC(=NO1)c2ccc(Cl)cc2 Amb18321583 [0,1,0,1,0,0|2,0,0]=4 4269 B14R2.20 O=C1NC(=NO1)c2ccc(F)cc2 Amb18796208 [0,1,0,1,0,0|2,0,0]=4 4270 B14R2.20 O=C1NC(=NO1)c2ccc(I)cc2 Amb24733543 [0,1,0,1,0,0|2,0,0]=4 4271 B14R2.20 O=C1NC(CO1)c2ccc(Br)cc2 Amb24419169 [0,1,0,1,0,0|1,0,1]=4 4272 B14R2.20 O=C1N[C@@H](CO1)c2ccc(I)cc2 Amb25311681 [0,1,0,1,0,0|1,0,1]=4 4273 B14R2.20 O=C1N[C@H](CO1)c2ccc(Br)cc2 Amb25715338 [0,1,0,1,0,0|1,0,1]=4 4274 B14R2.20 O=C1N[C@H](CO1)c2ccc(Cl)cc2 Amb25816140 [0,1,0,1,0,0|1,0,1]=4 4275 B14R2.20 O=C1ON=C(C1)c2ccc(cc2)Cl Amb1011011 [0,1,0,1,0,0|1,0,1]=4 4276 B14R2.20 Oc1cc([n]o1)-c2ccc(Br)cc2 Amb20672938 [0,1,0,1,0,0|1,0,1]=4 4277 B14R2.20 Oc1cc([n]o1)-c2ccc(Cl)cc2 Amb20672905 [0,1,0,1,0,0|1,0,1]=4 4278 B14R2.20 Oc1cc([n]o1)-c2ccc(F)cc2 Amb20672918 [0,1,0,1,0,0|1,0,1]=4 4279 B14R2.20 Oc1ccc(cc1)-c2coc(Br)c2 Amb18157668 [0,1,0,1,0,0|1,0,1]=4 4280 B14R2.20 Oc1ccc(cc1)C2=CC(=O)NN2 Amb24588903 [0,1,0,1,0,0|2,0,0]=4 4281 B14R2.20 Oc1ccc(cc1)C2COC(=O)N2 Amb24709902 [0,1,0,1,0,0|1,0,1]=4 4282 B14R2.20 Oc1ccc(cc1)C=2CCC(=O)C2 Amb25373219 [0,1,0,1,0,0|1,0,0]=3 4283 B14R2.20 Oc1ccc(cc1)C=2COC(=O)C2 Amb24492399 [0,1,0,1,0,0|0,0,0]=2 4284 B14R2.20 Oc1ccc(cc1)[C@@H]2COC(=O)N2 Amb24490125 [0,1,0,1,0,0|1,0,1]=4 4285 B14R2.20 Oc1ccc(cc1)c2noc(c2)N Amb15694903 [0,1,0,1,0,0|2,0,0]=4 4286 B14R2.134 CNc1cc2cc(O)ccc2cc1 Amb25701788 [0,1,0,1,0,0|2,0,0]=4 4287 B14R2.134 CNc1ccc2ccc(Br)cc2[n]1 Amb24399856 [0,1,0,1,0,0|2,0,0]=4 4288 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 Amb21964171 [0,1,0,1,0,0|2,0,0]=4 4289 B14R2.134 COc1c[n]c2ccc(Br)cc2c1 Amb22494759 [0,1,0,1,0,0|2,0,0]=4 4290 B14R2.134 COc1c[n]c2ccc(Cl)cc2c1 Amb22495280 [0,1,0,1,0,0|2,0,0]=4 4291 B14R2.134 COc1c[n]c2ccc(F)cc2c1 Amb22495281 [0,1,0,1,0,0|2,0,0]=4 4292 B14R2.134 COc1c[n]c2ccc(I)cc2c1 Amb22495279 [0,1,0,1,0,0|2,0,0]=4 4293 B14R2.134 COc1cc2[n]c(Br)ccc2cc1 Amb25789005 [0,1,0,1,0,0|2,0,0]=4 4294 B14R2.134 COc1cc2[n]c(Cl)ccc2cc1 Amb21864672 [0,1,0,1,0,0|2,0,0]=4 4295 B14R2.134 COc1cc2[n]c(N)ccc2cc1 Amb18127232 [0,1,0,1,0,0|2,0,0]=4 4296 B14R2.134 COc1cc2cc(Br)ccc2c[n]1 Amb22498297 [0,1,0,1,0,0|2,0,0]=4 4297 B14R2.134 COc1cc2cc(Cl)[n]cc2cc1 Amb22735858 [0,1,0,1,0,0|2,0,0]=4 4298 B14R2.134 COc1cc2cc(Cl)c[n]c2cc1 Amb22498960 [0,1,0,1,0,0|2,0,0]=4 4299 B14R2.134 COc1cc2cc(F)c[n]c2cc1 Amb21926929 [0,1,0,1,0,0|2,0,0]=4 4300 B14R2.134 COc1cc2cc(F)ccc2cc1 Amb24725253 [0,1,0,1,0,0|1,0,0]=3 4301 B14R2.134 COc1cc2cc(I)c[n]c2cc1 Amb22275926 [0,1,0,1,0,0|2,0,0]=4 4302 B14R2.134 COc1cc2cc(N)[n]cc2cc1 Amb22499397 [0,1,0,1,0,0|2,0,0]=4 4303 B14R2.134 COc1cc2cc(N)c[n]c2cc1 Amb20239407 [0,1,0,1,0,0|2,0,0]=4 4304 B14R2.134 COc1cc2cc(N)ccc2cc1 Amb25187874 [0,1,0,1,0,0|1,0,0]=3 4305 B14R2.134 COc1ccc2C=CC(=O)Nc2[n]1 Amb22753693 [0,1,0,1,0,0|2,0,0]=4 4306 B14R2.134 COc1ccc2C=CC(=O)Oc2c1 Amb18511473 [0,1,0,1,0,0|2,0,0]=4 4307 B14R2.134 COc1ccc2[n]cc(F)cc2[n]1 Amb22234343 [0,1,0,1,0,0|2,0,0]=4 4308 B14R2.134 COc1ccc2[n]cc(N)cc2[n]1 Amb25375990 [0,1,0,1,0,0|2,0,0]=4 4309 B14R2.134 COc1ccc2c(c1)cc(cn2)Br Amb1994330 [0,1,0,1,0,0|2,0,0]=4 4310 B14R2.134 COc1ccc2c(c1)cc(cn2)N Amb10669512 [0,1,0,1,0,0|2,0,0]=4 4311 B14R2.134 COc1ccc2c(c1)cc(cn2)N Amb1994860 [0,1,0,1,0,0|2,0,0]=4 4312 B14R2.134 COc1ccc2c(c1)nc(cc2)C Amb1994820 [0,1,0,1,0,0|2,0,0]=4 4313 B14R2.134 COc1ccc2c(c1)oc(=O)cc2 Amb1151237 [0,1,0,1,0,0|2,0,0]=4 4314 B14R2.134 COc1ccc2ccc(Br)cc2[n]1 Amb22234521 [0,1,0,1,0,0|1,0,0]=3 4315 B14R2.134 COc1ccc2ccc(F)cc2[n]1 Amb23401193 [0,1,0,1,0,0|1,0,0]=3 4316 B14R2.134 COc1ccc2ccc(N)cc2[n]1 Amb23401128 [0,1,0,1,0,0|1,0,0]=3 4317 B14R2.134 COc1ccc2cnc(C)cc2c1 Amb17778822 [0,1,0,1,0,0|2,0,0]=4 4318 B14R2.134 CSc1cc2cc(O)ccc2cc1 Amb25319006 [0,1,0,1,0,0|1,1,0]=4 4319 B14R2.134 Cc1cc2[n]c(c[n]c2cc1)OC Amb24084576 [0,1,0,1,0,0|2,0,0]=4 4320 B14R2.134 Cc1cc2cc(c[n]c2cc1)OC Amb24102343 [0,1,0,1,0,0|2,0,0]=4 4321 B14R2.134 Cc1cc2cc(ccc2[n]c1)OC Amb24407333 [0,1,0,1,0,0|2,0,0]=4 4322 B14R2.134 Cc1cc2cc(ccc2cc1)OC Amb25340236 [0,1,0,1,0,0|1,0,0]=3 4323 B14R2.4400 Cc1ccc(cc1)C2=CC(=O)C2=O Amb22171534 [0,1,0,1,0,0|2,0,0]=4 4324 B14R2.4400 O=C1C=C(c2ccc(Cl)cc2)C1=O Amb22171902 [0,1,0,1,0,0|2,0,0]=4 4325 B14R2.4400 O=C1C=C(c2ccc(F)cc2)C1=O Amb24456706 [0,1,0,1,0,0|2,0,0]=4 4326 B14R2.4400 O=C1C=C(c2ccc(I)cc2)C1=O Amb22172113 [0,1,0,1,0,0|2,0,0]=4 4327 B14R2.4513 CN1C(=O)C=Cc2ccc(Br)cc12 Amb22495249 [0,1,0,1,0,0|1,0,0]=3 4328 B14R2.4513 CN1C(=O)C=Nc2ccc(Br)cc12 Amb19957640 [0,1,0,1,0,0|2,0,0]=4 4329 B14R2.4513 CN1C(=O)C=Nc2ccc(F)cc12 Amb25718883 [0,1,0,1,0,0|2,0,0]=4 4330 B14R2.4513 Cc1c2cc(O)ccc2ccc1O Amb24534174 [0,1,0,1,0,0|1,0,1]=4 4331 B14R2.4513 Cc1cc2c(cc1)C=CC(=O)C2=O Amb25318901 [0,1,0,1,0,0|2,0,0]=4 4332 B14R2.4513 Cc1cc2c(cc1)C=CC(=O)N2O Amb25793546 [0,1,0,1,0,0|2,0,0]=4 4333 B14R2.4513 Cc1cc2c(cc1)ccc(C)[n+]2C Amb22473931 [0,1,0,1,0,0|2,0,0]=4 4334 B14R2.4513 Cc1ccc2ccc(F)cc2c1C Amb24526863 [0,1,0,1,0,0|2,0,0]=4 4335 B14R2.4513 Oc1cc2C(=O)C(=O)C=Cc2cc1 Amb17594375 [0,1,0,1,0,0|2,0,0]=4 4336 B14R2.5634 Cc1cc2OCC(=O)C=Cc2cc1 Amb24492632 [0,1,0,1,0,0|2,0,0]=4 4337 B14R2.5634 O=C1CNc2ccc(Br)cc2CO1 Amb24637258 [0,1,0,1,0,0|1,0,1]=4 4338 B14R2.5634 Oc1cc2C=CC(=O)C=Cc2cc1 Amb25034480 [0,1,0,1,0,0|1,0,1]=4 4339 B14R2.22 Brc1occ(c1)c2cccc(c2)C Amb10600678 [0,1,0,1,0,0|1,0,1]=4 4340 B14R2.22 Brc1occ(c1)c2cccc(c2)F Amb10600680 [0,1,0,1,0,0|1,0,1]=4 4341 B14R2.22 Cc1cc(ccc1)-c2cc(Cl)o[n]2 Amb22446523 [0,1,0,1,0,0|2,0,0]=4 4342 B14R2.22 Cc1cc(ccc1)-c2cc(O)o[n]2 Amb20672944 [0,1,0,1,0,0|1,0,1]=4 4343 B14R2.22 Cc1cc(ccc1)C=2CC(=O)ON2 Amb24425459 [0,1,0,1,0,0|1,0,1]=4 4344 B14R2.22 Cc1cc(ccc1)C=2NC(=O)ON2 Amb18180568 [0,1,0,1,0,0|2,0,0]=4 4345 B14R2.22 Cc1cc(ccc1)[C@H]2COC(=O)N2 Amb24472273 [0,1,0,1,0,0|1,0,1]=4 4346 B14R2.22 Clc1cc([n]o1)-c2cc(Br)ccc2 Amb22469124 [0,1,0,1,0,0|2,0,0]=4 4347 B14R2.22 Clc1cc([n]o1)-c2cc(I)ccc2 Amb25753287 [0,1,0,1,0,0|2,0,0]=4 4348 B14R2.22 Clc1cc(ccc1)-c2cc(Br)o[n]2 Amb22584328 [0,1,0,1,0,0|2,0,0]=4 4349 B14R2.22 Clc1cc(ccc1)-c2cc(Cl)o[n]2 Amb22469071 [0,1,0,1,0,0|2,0,0]=4 4350 B14R2.22 Fc1cc(ccc1)-c2cc(Br)o[n]2 Amb24382496 [0,1,0,1,0,0|2,0,0]=4 4351 B14R2.22 Fc1cc(ccc1)-c2cc(Cl)o[n]2 Amb25759679 [0,1,0,1,0,0|2,0,0]=4 4352 B14R2.22 Nc1cc([n]o1)-c2cc(O)ccc2 Amb18197032 [0,1,0,1,0,0|2,0,0]=4 4353 B14R2.22 Nc1cc(ccc1)-c2coc(Br)c2 Amb18158180 [0,1,0,1,0,0|1,0,1]=4 4354 B14R2.22 Nc1cc(ccc1)C=2NC(=O)ON2 Amb19373012 [0,1,0,1,0,0|2,0,0]=4 4355 B14R2.22 Nc1cc(ccc1)C=2NC(=O)ON2 Amb19514650 [0,1,0,1,0,0|2,0,0]=4 4356 B14R2.22 Nc1cc(co1)-c2cc(Br)ccc2 Amb18157695 [0,1,0,1,0,0|1,0,1]=4 4357 B14R2.22 Nc1cccc(c1)c2noc(c2)C Amb17138720 [0,1,0,1,0,0|2,0,0]=4 4358 B14R2.22 O=C1CC(=NO1)c2cccc(Cl)c2 Amb22469072 [0,1,0,1,0,0|1,0,1]=4 4359 B14R2.22 O=C1CC(=NO1)c2cccc(F)c2 Amb25222437 [0,1,0,1,0,0|1,0,1]=4 4360 B14R2.22 O=C1CCC(=C1)c2cc(F)ccc2 Amb18065607 [0,1,0,1,0,0|1,0,0]=3 4361 B14R2.22 O=C1CCC(=C1)c2cccc(c2)Br Amb17158296 [0,1,0,1,0,0|1,0,0]=3 4362 B14R2.22 O=C1CCC(=C1)c2cccc(c2)C Amb17138688 [0,1,0,1,0,0|1,0,0]=3 4363 B14R2.22 O=C1CCC(=C1)c2cccc(c2)Cl Amb17139381 [0,1,0,1,0,0|1,0,0]=3 4364 B14R2.22 O=C1NC(=CO1)c2cc(Cl)ccc2 Amb24490291 [0,1,0,1,0,0|1,0,1]=4 4365 B14R2.22 O=C1NC(=NO1)c2cc(Br)ccc2 Amb19372948 [0,1,0,1,0,0|2,0,0]=4 4366 B14R2.22 O=C1NC(=NO1)c2cc(Cl)ccc2 Amb18321584 [0,1,0,1,0,0|2,0,0]=4 4367 B14R2.22 O=C1NC(=NO1)c2cc(F)ccc2 Amb18796209 [0,1,0,1,0,0|2,0,0]=4 4368 B14R2.22 O=C1NC(=NO1)c2cc(I)ccc2 Amb25686135 [0,1,0,1,0,0|2,0,0]=4 4369 B14R2.22 O=C1NC(CO1)c2cccc(F)c2 Amb25316630 [0,1,0,1,0,0|1,0,1]=4 4370 B14R2.22 O=C1NC(CO1)c2cccc(I)c2 Amb25100583 [0,1,0,1,0,0|1,0,1]=4 4371 B14R2.22 O=C1N[C@@H](CO1)c2cccc(Br)c2 Amb24513687 [0,1,0,1,0,0|1,0,1]=4 4372 B14R2.22 O=C1N[C@@H](CO1)c2cccc(F)c2 Amb25153939 [0,1,0,1,0,0|1,0,1]=4 4373 B14R2.22 O=C1N[C@H](CO1)c2cccc(Br)c2 Amb24730803 [0,1,0,1,0,0|1,0,1]=4 4374 B14R2.22 Oc1cc([n]o1)-c2cc(Br)ccc2 Amb20672933 [0,1,0,1,0,0|1,0,1]=4 4375 B14R2.22 Oc1cc([n]o1)-c2cc(Cl)ccc2 Amb20672930 [0,1,0,1,0,0|1,0,1]=4 4376 B14R2.22 Oc1cc([n]o1)-c2cc(F)ccc2 Amb20672928 [0,1,0,1,0,0|1,0,1]=4 4377 B14R2.22 Oc1cc(ccc1)C2COC(=O)N2 Amb25283568 [0,1,0,1,0,0|1,0,1]=4 4378 B14R2.22 Oc1cc(ccc1)C=2NC(=O)ON2 Amb24411131 [0,1,0,1,0,0|2,0,0]=4 4379 B14R2.22 Oc1cc(ccc1)[C@H]2COC(=O)N2 Amb24462997 [0,1,0,1,0,0|1,0,1]=4 4380 B14R2.142 CCc1cc2c(O)cccc2cc1 Amb18559371 [0,1,0,1,0,0|2,0,0]=4 4381 B14R2.142 CNc1cc2c(N)cccc2cc1 Amb25779217 [0,1,0,1,0,0|2,0,0]=4 4382 B14R2.142 CNc1ccc2c(c1)c(O)ccc2 Amb17594347 [0,1,0,1,0,0|2,0,0]=4 4383 B14R2.142 CNc1ccc2cccc(Br)c2[n]1 Amb25232509 [0,1,0,1,0,0|2,0,0]=4 4384 B14R2.142 CNc1ccc2cccc(Cl)c2[n]1 Amb24650546 [0,1,0,1,0,0|2,0,0]=4 4385 B14R2.142 CNc1ccc2cccc(F)c2[n]1 Amb24357710 [0,1,0,1,0,0|2,0,0]=4 4386 B14R2.142 CNc1ccc2cccc(I)c2[n]1 Amb25124419 [0,1,0,1,0,0|2,0,0]=4 4387 B14R2.142 CNc1ccc2cccc(N)c2[n]1 Amb22713478 [0,1,0,1,0,0|2,0,0]=4 4388 B14R2.142 COc1[n]c2c(Cl)cccc2c[n]1 Amb24464545 [0,1,0,1,0,0|2,0,0]=4 4389 B14R2.142 COc1c[n]c2cccc(Br)c2c1 Amb22048262 [0,1,0,1,0,0|2,0,0]=4 4390 B14R2.142 COc1c[n]c2cccc(O)c2[n]1 Amb24102340 [0,1,0,1,0,0|2,0,0]=4 4391 B14R2.142 COc1c[n]c2cccc(O)c2c1 Amb25700788 [0,1,0,1,0,0|2,0,0]=4 4392 B14R2.142 COc1cc2C(=O)C=CNc2cc1 Amb18178164 [0,1,0,1,0,0|2,0,0]=4 4393 B14R2.142 COc1cc2C(=O)C=CSc2cc1 Amb24420413 [0,1,0,1,0,0|2,0,0]=4 4394 B14R2.142 COc1cc2C(=O)NC=Cc2cc1 Amb18347178 [0,1,0,1,0,0|2,0,0]=4 4395 B14R2.142 COc1cc2C(=S)C=CNc2cc1 Amb22010850 [0,1,0,1,0,0|2,0,0]=4 4396 B14R2.142 COc1cc2c(Br)[n]ccc2cc1 Amb18062826 [0,1,0,1,0,0|2,0,0]=4 4397 B14R2.142 COc1cc2c(Br)cccc2c[n]1 Amb22735853 [0,1,0,1,0,0|2,0,0]=4 4398 B14R2.142 COc1cc2c(Br)cccc2cc1 Amb25670283 [0,1,0,1,0,0|1,0,0]=3 4399 B14R2.142 COc1cc2c(Cl)[n]ccc2cc1 Amb18560354 [0,1,0,1,0,0|2,0,0]=4 4400 B14R2.142 COc1cc2c(F)cccc2cc1 Amb21858327 [0,1,0,1,0,0|1,0,0]=3 4401 B14R2.142 COc1cc2c(I)cc[n]c2cc1 Amb24073902 [0,1,0,1,0,0|2,0,0]=4 4402 B14R2.142 COc1cc2c(I)cccc2cc1 Amb22263072 [0,1,0,1,0,0|1,0,0]=3 4403 B14R2.142 COc1cc2c(N)[n]ccc2cc1 Amb18560418 [0,1,0,1,0,0|2,0,0]=4 4404 B14R2.142 COc1cc2c(N)cccc2c[n]1 Amb22500899 [0,1,0,1,0,0|2,0,0]=4 4405 B14R2.142 COc1cc2c(N)cccc2cc1 Amb18647727 [0,1,0,1,0,0|1,0,0]=3 4406 B14R2.142 COc1cc2c(O)[n]ccc2cc1 Amb18560323 [0,1,0,1,0,0|2,0,0]=4 4407 B14R2.142 COc1cc2c(cc1)OC=CC2=O Amb19666847 [0,1,0,1,0,0|2,0,0]=4 4408 B14R2.142 COc1ccc2C=CNC(=O)c2[n]1 Amb25214253 [0,1,0,1,0,0|2,0,0]=4 4409 B14R2.142 COc1ccc2NC=CC(=O)c2[n]1 Amb22500169 [0,1,0,1,0,0|2,0,0]=4 4410 B14R2.142 COc1ccc2[n]ccc(Br)c2[n]1 Amb21926825 [0,1,0,1,0,0|2,0,0]=4 4411 B14R2.142 COc1ccc2[n]ccc(Cl)c2[n]1 Amb19957914 [0,1,0,1,0,0|2,0,0]=4 4412 B14R2.142 COc1ccc2[n]ccc(F)c2[n]1 Amb24080596 [0,1,0,1,0,0|2,0,0]=4 4413 B14R2.142 COc1ccc2[n]ccc(N)c2[n]1 Amb22899619 [0,1,0,1,0,0|2,0,0]=4 4414 B14R2.142 COc1ccc2[n]ccc(O)c2[n]1 Amb21618792 [0,1,0,1,0,0|2,0,0]=4 4415 B14R2.142 COc1ccc2c(c1)c(Br)ccn2 Amb1994865 [0,1,0,1,0,0|2,0,0]=4 4416 B14R2.142 COc1ccc2c(c1)c(Cl)ccn2 Amb1994222 [0,1,0,1,0,0|2,0,0]=4 4417 B14R2.142 COc1ccc2c(c1)c(N)ccn2 Amb1994316 [0,1,0,1,0,0|2,0,0]=4 4418 B14R2.142 COc1ccc2c(c1)c(O)ccn2 Amb1994274 [0,1,0,1,0,0|2,0,0]=4 4419 B14R2.142 COc1ccc2c(n1)c(O)ccc2 Amb1779249 [0,1,0,1,0,0|1,0,0]=3 4420 B14R2.142 COc1ccc2cccc(Br)c2[n]1 Amb22494690 [0,1,0,1,0,0|1,0,0]=3 4421 B14R2.142 COc1ccc2cccc(N)c2[n]1 Amb22713475 [0,1,0,1,0,0|1,0,0]=3 4422 B14R2.142 COc1ccc2cccc(N)c2[n]1 Amb24065724 [0,1,0,1,0,0|1,0,0]=3 4423 B14R2.142 COc1ccc2ccnc(C)c2c1 Amb17940791 [0,1,0,1,0,0|2,0,0]=4 4424 B14R2.142 Cc1cc[n]c2ccc([n]c12)OC Amb24591630 [0,1,0,1,0,0|2,0,0]=4 4425 B14R2.142 Cc1cccc2[n]cc([n]c12)OC Amb24084577 [0,1,0,1,0,0|2,0,0]=4 4426 B14R2.142 Cc1cccc2ccc([n]c12)OC Amb20171195 [0,1,0,1,0,0|1,0,0]=3 4427 B14R2.142 Cc1cccc2ccc(cc12)OC Amb25241980 [0,1,0,1,0,0|1,0,0]=3 4428 B14R2.2332 CCc1ccc2cc(N)ccc2[n]1 Amb24531670 [0,1,0,1,0,0|2,0,0]=4 4429 B14R2.2332 CCc1ccc2cc(O)ccc2[n]1 Amb25851010 [0,1,0,1,0,0|2,0,0]=4 4430 B14R2.2332 CNc1ccc2cc(I)ccc2[n]1 Amb25074980 [0,1,0,1,0,0|2,0,0]=4 4431 B14R2.2332 COC1C=Cc2cc(Cl)ccc2S1 Amb22481804 [0,1,0,1,0,0|0,1,1]=4 4432 B14R2.2332 COc1[n]c2ccc(Br)cc2c[n]1 Amb22496020 [0,1,0,1,0,0|2,0,0]=4 4433 B14R2.2332 COc1c[n]c2cc(Br)ccc2[n]1 Amb22520759 [0,1,0,1,0,0|2,0,0]=4 4434 B14R2.2332 COc1c[n]c2cc(N)ccc2[n]1 Amb18127411 [0,1,0,1,0,0|2,0,0]=4 4435 B14R2.2332 COc1cc2C=CC(=O)Nc2cc1 Amb18546025 [0,1,0,1,0,0|2,0,0]=4 4436 B14R2.2332 COc1cc2C=CC(=O)Oc2cc1 Amb19892427 [0,1,0,1,0,0|2,0,0]=4 4437 B14R2.2332 COc1cc2[n]cc(Br)cc2cc1 Amb20241799 [0,1,0,1,0,0|2,0,0]=4 4438 B14R2.2332 COc1cc2[n]cc(Cl)cc2cc1 Amb20242057 [0,1,0,1,0,0|2,0,0]=4 4439 B14R2.2332 COc1cc2[n]cc(I)cc2cc1 Amb22497629 [0,1,0,1,0,0|2,0,0]=4 4440 B14R2.2332 COc1cc2c[n]c(Cl)cc2cc1 Amb24099959 [0,1,0,1,0,0|2,0,0]=4 4441 B14R2.2332 COc1cc2cc[n+]([O-])cc2cc1 Amb22500172 [0,1,0,1,0,0|2,0,0]=4 4442 B14R2.2332 COc1cc2ccc(Br)[n]c2cc1 Amb22263104 [0,1,0,1,0,0|2,0,0]=4 4443 B14R2.2332 COc1cc2ccc(Br)cc2[n]c1 Amb22236117 [0,1,0,1,0,0|2,0,0]=4 4444 B14R2.2332 COc1cc2ccc(Br)cc2c[n]1 Amb22735852 [0,1,0,1,0,0|2,0,0]=4 4445 B14R2.2332 COc1cc2ccc(Cl)cc2cc1 Amb24093615 [0,1,0,1,0,0|1,0,0]=3 4446 B14R2.2332 COc1cc2ccc(F)cc2cc1 Amb22491582 [0,1,0,1,0,0|1,0,0]=3 4447 B14R2.2332 COc1cc2ccc(I)cc2cc1 Amb22749216 [0,1,0,1,0,0|1,0,0]=3 4448 B14R2.2332 COc1cc2ccc(N)cc2c[n]1 Amb22500898 [0,1,0,1,0,0|2,0,0]=4 4449 B14R2.2332 COc1cc2ccc(N)cc2cc1 Amb18279523 [0,1,0,1,0,0|1,0,0]=3 4450 B14R2.2332 COc1cc2ccc(S)[n]c2cc1 Amb25127710 [0,1,0,1,0,0|2,0,0]=4 4451 B14R2.2332 COc1cc2ccc(S)cc2cc1 Amb19040993 [0,1,0,1,0,0|1,0,0]=3 4452 B14R2.2332 COc1ccc2[n]c(Br)ccc2[n]1 Amb25844550 [0,1,0,1,0,0|2,0,0]=4 4453 B14R2.2332 COc1ccc2c(c1)ccc(n2)C Amb1774422 [0,1,0,1,0,0|2,0,0]=4 4454 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl Amb1773592 [0,1,0,1,0,0|2,0,0]=4 4455 B14R2.2332 COc1ccc2c(c1)ncc(c2)N Amb15741138 [0,1,0,1,0,0|2,0,0]=4 4456 B14R2.2332 COc1ccc2c(n1)ccc(c2)Br Amb10608831 [0,1,0,1,0,0|1,0,0]=3 4457 B14R2.2332 COc1ccc2cc(Br)[n]cc2[n]1 Amb25696481 [0,1,0,1,0,0|2,0,0]=4 4458 B14R2.2332 COc1ccc2cc(F)ccc2[n]1 Amb19959135 [0,1,0,1,0,0|1,0,0]=3 4459 B14R2.2332 COc1ccc2cc(I)ccc2[n]1 Amb24743595 [0,1,0,1,0,0|1,0,0]=3 4460 B14R2.2332 COc1ccc2cc(N)c[n]c2[n]1 Amb25739563 [0,1,0,1,0,0|2,0,0]=4 4461 B14R2.2332 COc1ccc2cc(O)ccc2[n]1 Amb24084574 [0,1,0,1,0,0|1,0,0]=3 4462 B14R2.2332 COc1ccc2cc(O)ccc2c1 Amb17689147 [0,1,0,1,0,0|1,0,0]=3 4463 B14R2.2332 CSc1cc2ccc(N)cc2cc1 Amb24738425 [0,1,0,1,0,0|1,1,0]=4 4464 B14R2.2332 CSc1ccc2c(n1)ccc(c2)C Amb10809159 [0,1,0,1,0,0|1,1,0]=4 4465 B14R2.2332 CSc1ccc2cc(N)ccc2[n]1 Amb18944401 [0,1,0,1,0,0|1,1,0]=4 4466 B14R2.2332 CSc1ccc2cc(S)ccc2[n]1 Amb25830632 [0,1,0,1,0,0|1,1,0]=4 4467 B14R2.2332 Cc1cc2[n]cc(cc2cc1)OC Amb22372299 [0,1,0,1,0,0|2,0,0]=4 4468 B14R2.2332 Cc1cc2ccc(cc2c[n]1)OC Amb21857935 [0,1,0,1,0,0|2,0,0]=4 4469 B14R2.2332 Cc1cc2ccc(cc2cc1)OC Amb22749231 [0,1,0,1,0,0|1,0,0]=3 4470 B14R2.5632 Oc1cccc2C=CC(=O)C=Cc21 Amb24698883 [0,1,0,1,0,0|1,0,1]=4 4471 B14R2.5632 Oc1cccc2C=CC(=O)OCc21 Amb22329512 [0,1,0,1,0,0|0,0,0]=2 4472 B14R2.28523 CN1C(=O)C=Cc2cccc(N)c12 Amb25689714 [0,1,0,1,0,0|1,0,0]=3 4473 B14R2.28523 CN1C(=O)C=Cc2cccc(O)c12 Amb22751142 [0,1,0,1,0,0|1,0,0]=3 4474 B14R2.28523 CN1C(=O)C=Nc2cccc(Br)c12 Amb25689656 [0,1,0,1,0,0|2,0,0]=4 4475 B14R2.28523 CN1C(=O)C=Nc2cccc(F)c12 Amb25689772 [0,1,0,1,0,0|2,0,0]=4 4476 B14R2.28523 C[n]1c(=O)ccc2cccc(Br)c12 Amb24092279 [0,1,0,1,0,0|1,0,0]=3 4477 B14R2.28523 C[n]1c(=O)ccc2cccc(Cl)c12 Amb24092281 [0,1,0,1,0,0|1,0,0]=3 4478 B14R2.28523 C[n]1c(=O)ccc2cccc(F)c12 Amb24092305 [0,1,0,1,0,0|1,0,0]=3 4479 B14R2.28523 Cc1cccc2C=CC(=O)N(C)c12 Amb22263192 [0,1,0,1,0,0|1,0,0]=3 4480 B14R2.28523 Oc1cccc2C=CC(=O)C(=O)c21 Amb25723819 [0,1,0,1,0,0|2,0,0]=4 4481 B14R2.29369 Brc1ccc2c(c1)C=CC(=O)C2=O Amb1783962 [0,1,0,1,0,0|2,0,0]=4 4482 B14R2.29369 CN1C(=O)C=Cc2cc(Br)ccc12 Amb22522657 [0,1,0,1,0,0|1,0,0]=3 4483 B14R2.29369 CN1C(=O)C=Cc2cc(N)ccc12 Amb23504087 [0,1,0,1,0,0|1,0,0]=3 4484 B14R2.29369 CN1C(=O)C=Cc2cc(O)ccc12 Amb18127365 [0,1,0,1,0,0|1,0,0]=3 4485 B14R2.29369 CN1C(=O)C=Nc2cc(F)ccc12 Amb24559947 [0,1,0,1,0,0|2,0,0]=4 4486 B14R2.29369 C[n]1c(=S)ccc2cc(Cl)ccc12 Amb24071930 [0,1,0,1,0,0|1,1,0]=4 4487 B14R2.29369 Cc1c(O)ccc2cc(Br)ccc21 Amb25696643 [0,1,0,1,0,0|1,0,1]=4 4488 B14R2.29369 Cc1c2ccc(O)cc2ccc1O Amb25231305 [0,1,0,1,0,0|1,0,1]=4 4489 B14R2.29369 Cc1cc2C=CC(=O)C(=O)c2cc1 Amb25727706 [0,1,0,1,0,0|2,0,0]=4 4490 B14R2.29369 Cc1cc2C=CC(=O)N(C)c2cc1 Amb21994767 [0,1,0,1,0,0|1,0,0]=3 4491 B14R2.29369 Cc1cc2ccc(C)[n+](C)c2cc1 Amb22473930 [0,1,0,1,0,0|2,0,0]=4 4492 B14R2.29369 Cc1ccc2cc(F)ccc2[n+]1C Amb22473934 [0,1,0,1,0,0|2,0,0]=4 4493 B14R2.29369 Cc1ccc2cc(N)ccc2[n+]1C Amb24342610 [0,1,0,1,0,0|2,0,0]=4 4494 B14R2.29369 Cc1ccc2cc(N)ccc2c1C Amb25667906 [0,1,0,1,0,0|2,0,0]=4 4495 B14R2.29369 O=C1C=Cc2cc(Cl)ccc2C1=O Amb25128014 [0,1,0,1,0,0|2,0,0]=4 4496 B14R2.29369 Oc1ccc2c(c1)C=CC(=O)C2=O Amb17594374 [0,1,0,1,0,0|2,0,0]=4 4497 B14R2.15 COC1C(CC1=O)c2ccccc2 Amb24492362 [0,1,0,1,0,0|0,0,2]=4 4498 B14R2.15 COC1C(NC1=O)c2ccccc2 Amb25298522 [0,1,0,1,0,0|1,0,1]=4 4499 B14R2.15 CO[C@H]1[C@H](NC1=O)c2ccccc2 Amb24512837 [0,1,0,1,0,0|1,0,1]=4 4500 B14R2.30 O=C/1CCC\C1=C/c2cccc[n]2 Amb23456359 [0,1,0,1,0,0|2,0,0]=4 4501 B14R2.30 O=C/1CCC\C1=C/c2ccccc2 Amb1198712 [0,1,0,1,0,0|1,0,0]=3 4502 B14R2.30 O=C/1CCC\C1=C/c2ccncc2 Amb1486635 [0,1,0,1,0,0|2,0,0]=4 4503 B14R2.30 O=C/1CCC\C1=C\c2c[n]ccc2 Amb24690620 [0,1,0,1,0,0|2,0,0]=4 4504 B14R2.30 O=C/1CCC\C1=C\c2cc[n]cc2 Amb25190303 [0,1,0,1,0,0|2,0,0]=4 4505 B14R2.30 O=C/1CCC\C1=C\c2cccc[n]2 Amb25373104 [0,1,0,1,0,0|2,0,0]=4 4506 B14R2.30 O=C/1CCC\C1=N\c2ccccc2 Amb25192573 [0,1,0,1,0,0|2,0,0]=4 4507 B14R2.30 O=C/1NCC\C1=C/c2cccc[n]2 Amb24441545 [0,1,0,1,0,0|2,0,0]=4 4508 B14R2.30 O=C/1NCC\C1=C/c2ccccc2 Amb22643155 [0,1,0,1,0,0|1,0,0]=3 4509 B14R2.30 O=C1C=CCC1=Cc2ccccc2 Amb24598982 [0,1,0,1,0,0|1,0,0]=3 4510 B14R2.30 O=C1CCC=C1Nc2ccccc2 Amb24490381 [0,1,0,1,0,0|2,0,0]=4 4511 B14R2.30 O=C1NC=NC1=Cc2ccccc2 Amb25837555 [0,1,0,1,0,0|1,0,1]=4 4512 B14R2.30 O=C1OCC=C1Nc2ccccc2 Amb25216120 [0,1,0,1,0,0|1,0,0]=3 4513 B14R2.30 O=C1OCC=C1Sc2ccccc2 Amb21928057 [0,1,0,1,0,0|1,0,0]=3 4514 B14R2.30 O=C1OCCC1=Cc2ccccc2 Amb24097489 [0,1,0,1,0,0|0,0,0]=2 4515 B14R2.30 O=C1OCCC1Nc2ccccc2 Amb25743171 [0,1,0,1,0,0|1,0,1]=4 4516 B14R2.30 O=C1OCCN1Cc2ccccc2 Amb25808956 [0,1,0,1,0,0|1,0,1]=4 4517 B14R2.101 C/1CCO\C1=C\Nc2ccccc2 Amb24621251 [0,1,0,1,0,0|2,0,0]=4 4518 B14R2.101 C1CN=C(\C=C\c2ccccc2)N1 Amb24664157 [0,1,0,1,0,0|2,0,0]=4 4519 B14R2.101 C1COB(\C=C\c2ccccc2)O1 Amb24543987 [0,1,0,1,0,0|1,0,1]=4 4520 B14R2.101 C1NC(\C=C\c2ccccc2)=NO1 Amb25310673 [0,1,0,1,0,0|1,0,0]=3 4521 B14R2.101 c1ccc(cc1)\C=C\C2=NCCS2 Amb10573094 [0,1,0,1,0,0|1,1,0]=4 4522 B14R2.112 BrCCc1ccc2ccccc2[n]1 Amb25113626 [0,1,0,1,0,0|2,0,0]=4 4523 B14R2.112 CCNc1cc2ccccc2cc1 Amb24325293 [0,1,0,1,0,0|2,0,0]=4 4524 B14R2.112 CCOC1C=Cc2ccccc2N1 Amb24615224 [0,1,0,1,0,0|1,0,1]=4 4525 B14R2.112 CCOC1C=Cc2ccccc2O1 Amb24084263 [0,1,0,1,0,0|0,0,2]=4 4526 B14R2.112 CCOc1c[n]c2ccccc2[n]1 Amb24083964 [0,1,0,1,0,0|2,0,0]=4 4527 B14R2.112 CCOc1cc2c[n]ccc2cc1 Amb24092060 [0,1,0,1,0,0|2,0,0]=4 4528 B14R2.112 CCOc1cc2cc[n]cc2cc1 Amb24091639 [0,1,0,1,0,0|2,0,0]=4 4529 B14R2.112 CCOc1cc2ccc[n]c2cc1 Amb19106597 [0,1,0,1,0,0|2,0,0]=4 4530 B14R2.112 CCOc1cc2ccccc2[n]c1 Amb25138490 [0,1,0,1,0,0|2,0,0]=4 4531 B14R2.112 CCOc1ccc2c(n1)cccc2 Amb15691601 [0,1,0,1,0,0|1,0,0]=3 4532 B14R2.112 CCSc1cc2ccccc2cc1 Amb24359866 [0,1,0,1,0,0|1,1,0]=4 4533 B14R2.112 CNCc1ccc2c(c1)cccc2 Amb1106022 [0,1,0,1,0,0|2,0,0]=4 4534 B14R2.112 COCc1cc2ccccc2c[n]1 Amb25708309 [0,1,0,1,0,0|2,0,0]=4 4535 B14R2.112 COCc1ccc2ccccc2[n]1 Amb24065155 [0,1,0,1,0,0|1,0,0]=3 4536 B14R2.112 ClCCc1ccc2ccccc2[n]1 Amb25849148 [0,1,0,1,0,0|2,0,0]=4 4537 B14R2.112 ICCc1cc2ccccc2cc1 Amb24534558 [0,1,0,1,0,0|2,0,0]=4 4538 B14R2.112 NOCc1cc2ccccc2cc1 Amb22446962 [0,1,0,1,0,0|2,0,0]=4 4539 B14R2.112 NOCc1ccc2ccccc2[n]1 Amb24466527 [0,1,0,1,0,0|2,0,0]=4 4540 B14R2.203 BrCc1c(I)ccc2ccccc21 Amb25351584 [0,1,0,1,0,0|2,0,0]=4 4541 B14R2.203 Brc1ccc2ccccc2c1CBr Amb22040437 [0,1,0,1,0,0|2,0,0]=4 4542 B14R2.203 C=C1C=Cc2ccccc2C1CO Amb24404781 [0,1,0,1,0,0|2,0,0]=4 4543 B14R2.203 CCN1C(=O)C=Cc2ccccc12 Amb22360524 [0,1,0,1,0,0|1,0,0]=3 4544 B14R2.203 CCN1C(=S)C=Cc2ccccc12 Amb20247294 [0,1,0,1,0,0|1,1,0]=4 4545 B14R2.203 CC[n+]1c(C)ccc2c1cccc2 Amb1144527 [0,1,0,1,0,0|2,0,0]=4 4546 B14R2.203 CCc1c(O)ccc2ccccc21 Amb25833618 [0,1,0,1,0,0|1,0,1]=4 4547 B14R2.203 CNc1c(N)ccc2ccccc21 Amb18126932 [0,1,0,1,0,0|2,0,0]=4 4548 B14R2.203 CNc1c(O)ccc2ccccc21 Amb18553328 [0,1,0,1,0,0|1,0,1]=4 4549 B14R2.203 CON1C(=O)C=Cc2ccccc12 Amb25064680 [0,1,0,1,0,0|0,0,0]=2 4550 B14R2.203 CON1C(=O)CCc2ccccc12 Amb25359795 [0,1,0,1,0,0|0,0,2]=4 4551 B14R2.203 CO[C@@H]1[C@H](O)C=Cc2ccccc21 Amb25226307 [0,1,0,1,0,0|0,0,2]=4 4552 B14R2.203 COc1c(Br)ccc2[n]cccc21 Amb25092126 [0,1,0,1,0,0|2,0,0]=4 4553 B14R2.203 COc1c(Br)ccc2ccc[n]c21 Amb23003265 [0,1,0,1,0,0|2,0,0]=4 4554 B14R2.203 COc1c(Br)ccc2ccccc21 Amb18559387 [0,1,0,1,0,0|1,0,0]=3 4555 B14R2.203 COc1c(Cl)ccc2ccc[n]c21 Amb23003247 [0,1,0,1,0,0|2,0,0]=4 4556 B14R2.203 COc1c(I)ccc2ccc[n]c21 Amb23003293 [0,1,0,1,0,0|2,0,0]=4 4557 B14R2.203 COc1c(I)ccc2ccccc21 Amb25237394 [0,1,0,1,0,0|1,0,0]=3 4558 B14R2.203 COc1c(N)c[n]c2ccccc21 Amb23402468 [0,1,0,1,0,0|2,0,0]=4 4559 B14R2.203 COc1c(N)ccc2cc[n]cc21 Amb24695195 [0,1,0,1,0,0|2,0,0]=4 4560 B14R2.203 COc1c(N)ccc2ccccc21 Amb18127046 [0,1,0,1,0,0|1,0,0]=3 4561 B14R2.203 COc1c(O)c[n]c2ccccc21 Amb24496940 [0,1,0,1,0,0|1,0,1]=4 4562 B14R2.203 COc1c(O)ccc2c[n]ccc21 Amb24713425 [0,1,0,1,0,0|1,0,1]=4 4563 B14R2.203 COc1c(O)ccc2ccccc21 Amb18127193 [0,1,0,1,0,0|0,0,1]=3 4564 B14R2.203 Cc1[n]cc2ccccc2c1OC Amb25196100 [0,1,0,1,0,0|2,0,0]=4 4565 B14R2.203 Cc1ccc2ccc[n]c2c1OC Amb25710072 [0,1,0,1,0,0|2,0,0]=4 4566 B14R2.203 Cc1ccc2ccccc2c1CBr Amb24080215 [0,1,0,1,0,0|2,0,0]=4 4567 B14R2.203 Cc1ccc2ccccc2c1CN Amb18051856 [0,1,0,1,0,0|2,0,0]=4 4568 B14R2.203 Cc1ccc2ccccc2c1NC Amb18553377 [0,1,0,1,0,0|2,0,0]=4 4569 B14R2.203 Cc1ccc2ccccc2c1OC Amb25829445 [0,1,0,1,0,0|1,0,0]=3 4570 B14R2.203 ClCc1c(O)ccc2c1cccc2 Amb17477547 [0,1,0,1,0,0|1,0,1]=4 4571 B14R2.203 Fc1ccc2ccccc2c1CCl Amb24055306 [0,1,0,1,0,0|2,0,0]=4 4572 B14R2.203 NCc1c(Br)ccc2ccccc21 Amb25091804 [0,1,0,1,0,0|2,0,0]=4 4573 B14R2.203 NCc1c(F)ccc2ccccc21 Amb24054596 [0,1,0,1,0,0|2,0,0]=4 4574 B14R2.203 NCc1c(I)ccc2ccccc21 Amb25324000 [0,1,0,1,0,0|2,0,0]=4 4575 B14R2.203 NCc1c(O)ccc2c1cccc2 Amb1133018 [0,1,0,1,0,0|1,0,1]=4 4576 B14R2.203 NCc1c(O)ccc2c1cccc2 Amb1993926 [0,1,0,1,0,0|1,0,1]=4 4577 B14R2.203 OCc1c(Br)ccc2ccccc21 Amb25778121 [0,1,0,1,0,0|2,0,0]=4 4578 B14R2.203 OCc1c(Cl)ccc2ccccc21 Amb25808641 [0,1,0,1,0,0|2,0,0]=4 4579 B14R2.203 OCc1c(O)ccc2c1cccc2 Amb1111444 [0,1,0,1,0,0|1,0,1]=4 4580 B14R2.203 O\N=C/1\C(=O)C=Cc2ccccc21 Amb19748272 [0,1,0,1,0,0|2,0,0]=4 4581 B14R2.203 Oc1ccc2ccccc2c1CBr Amb25211050 [0,1,0,1,0,0|1,0,1]=4 4582 B14R2.598 Brc1sc(c(c1)c2ccccc2)C Amb10600995 [0,1,0,1,0,0|1,1,0]=4 4583 B14R2.598 CC1CC(=O)C=C1c2ccccc2 Amb25112554 [0,1,0,1,0,0|1,0,0]=3 4584 B14R2.598 CC1OC(=O)NC1c2ccccc2 Amb25759483 [0,1,0,1,0,0|1,0,1]=4 4585 B14R2.598 CC1OC(=O)OC1c2ccccc2 Amb25263220 [0,1,0,1,0,0|1,0,1]=4 4586 B14R2.598 CC=1NC(=O)SC1c2ccccc2 Amb19041231 [0,1,0,1,0,0|2,0,0]=4 4587 B14R2.598 CC=1SC(=O)NC1c2ccccc2 Amb19078561 [0,1,0,1,0,0|1,1,0]=4 4588 B14R2.598 C[C@@H]1OC(=O)N[C@@H]1c2ccccc2 Amb25226668 [0,1,0,1,0,0|1,0,1]=4 4589 B14R2.598 C[C@@H]1OC(=O)N[C@H]1c2ccccc2 Amb25220629 [0,1,0,1,0,0|1,0,1]=4 4590 B14R2.598 C[n]1[n]c(Cl)cc1-c2ccccc2 Amb24754125 [0,1,0,1,0,0|2,0,0]=4 4591 B14R2.598 C[n]1[n]c(N)cc1-c2ccccc2 Amb18647737 [0,1,0,1,0,0|2,0,0]=4 4592 B14R2.598 C[n]1oc(=O)cc1-c2ccccc2 Amb24065754 [0,1,0,1,0,0|0,0,0]=2 4593 B14R2.598 Cc1cc(-c2ccccc2)[n](C)[n]1 Amb25731051 [0,1,0,1,0,0|2,0,0]=4 4594 B14R2.598 Cc1cc(c(C)[nH]1)-c2ccccc2 Amb17666662 [0,1,0,1,0,0|2,0,0]=4 4595 B14R2.598 Cc1oc(Br)[n]c1-c2ccccc2 Amb24469951 [0,1,0,1,0,0|2,0,0]=4 4596 B14R2.598 Cc1oc(N)[n]c1-c2ccccc2 Amb18279626 [0,1,0,1,0,0|2,0,0]=4 4597 B14R2.598 Nc1sc(c(c1)c2ccccc2)C Amb17096063 [0,1,0,1,0,0|1,1,0]=4 4598 B14R2.598 O=C1NC(=O)C=C1c2ccccc2 Amb17334915 [0,1,0,1,0,0|1,0,1]=4 4599 B14R2.598 O=C1OC(=O)C=C1c2ccccc2 Amb2431774 [0,1,0,1,0,0|0,0,1]=3 4600 B14R2.598 OC1CC(=O)C=C1c2ccccc2 Amb25371913 [0,1,0,1,0,0|1,0,0]=3 4601 B14R2.598 OC1OC(=O)CC1c2ccccc2 Amb25058513 [0,1,0,1,0,0|0,0,2]=4 4602 B14R2.598 OC1OC(=O)C[C@H]1c2ccccc2 Amb24748335 [0,1,0,1,0,0|0,0,2]=4 4603 B14R2.598 OC1OC(=O)OC1c2ccccc2 Amb25788943 [0,1,0,1,0,0|1,0,1]=4 4604 B14R2.598 Oc1oc(Br)cc1-c2ccccc2 Amb18732494 [0,1,0,1,0,0|1,0,1]=4 4605 B14R2.737 CC/1NC(=O)\C1=C/c2ccccc2 Amb24682076 [0,1,0,1,0,0|1,0,0]=3 4606 B14R2.737 C[C@@H]/1NC(=O)\C1=C\c2ccccc2 Amb24391581 [0,1,0,1,0,0|1,0,0]=3 4607 B14R2.2899 O=C(C1CC1)\C=C\c2ccccc2 Amb1796193 [0,1,0,1,0,0|1,0,0]=3 4608 B14R2.2899 O=C(OCc1ccccc1)[C@@H]2CO2 Amb25141523 [0,1,0,1,0,0|1,0,1]=4 4609 B14R2.2899 O=C(OCc1ccccc1)[C@H]2CO2 Amb24489595 [0,1,0,1,0,0|1,0,1]=4 4610 B14R2.2899 O=C(\C=C/c1ccccc1)C2CC2 Amb24492458 [0,1,0,1,0,0|1,0,0]=3 4611 B14R2.2899 O=C(\C=C\c1ccc[n]c1)C2CC2 Amb25817961 [0,1,0,1,0,0|2,0,0]=4 4612 B14R2.2899 O=C(\C=C\c1ccccc1)C2CO2 Amb25210675 [0,1,0,1,0,0|0,0,0]=2 4613 B14R2.2899 O=C(\C=C\c1ccccc1)N2CC2 Amb25817960 [0,1,0,1,0,0|1,0,0]=3 4614 B14R2.2899 OC(\C=C\c1ccccc1)C2CO2 Amb24648232 [0,1,0,1,0,0|0,0,2]=4 4615 B14R2.4656 NC1(COC1)\C=C\c2ccccc2 Amb24612044 [0,1,0,1,0,0|1,0,1]=4 4616 B14R2.33858 CONC(=O)C1Cc2ccccc21 Amb25039760 [0,1,0,1,0,0|0,0,2]=4 4617 B14R2.447 CC=1C(=O)C(O)C1c2ccccc2 Amb25282743 [0,1,0,1,0,0|1,0,1]=4 4618 B14R2.447 O=C1[C@@H](Cl)C(c2ccccc2)=C1Cl Amb25195919 [0,1,0,1,0,0|2,0,0]=4 4619 B14R2.447 OC1=C(c2ccccc2)C(=O)C1=O Amb24496716 [0,1,0,1,0,0|2,0,0]=4 4620 B14R2.447 OC1C(=O)C(Cl)=C1c2ccccc2 Amb24495798 [0,1,0,1,0,0|2,0,0]=4 4621 B14R2.741 CC1=Cc2ccccc2C=CC1=O Amb21948167 [0,1,0,1,0,0|1,0,0]=3 4622 B14R2.741 CN1Cc2ccccc2C=CC1=O Amb25320489 [0,1,0,1,0,0|1,0,0]=3 4623 B14R2.741 NC1=Cc2ccccc2C=CC1=O Amb25760803 [0,1,0,1,0,0|1,0,1]=4 4624 B14R2.741 O=C1C=Cc2ccccc2NC1=O Amb25190176 [0,1,0,1,0,0|2,0,0]=4 4625 B14R2.741 O=C1C=Cc2ccccc2OC1=O Amb24721695 [0,1,0,1,0,0|2,0,0]=4 4626 B14R2.972 BrCC(=O)c1cc2c([nH]1)cccc2 Amb17596518 [0,1,0,1,0,0|2,0,0]=4 4627 B14R2.972 BrCC(=O)c1cc2c(o1)cccc2 Amb1103621 [0,1,0,1,0,0|2,0,0]=4 4628 B14R2.972 C#CC(=O)c1cc2ccccc2[s]1 Amb25161276 [0,1,0,1,0,0|1,0,1]=4 4629 B14R2.972 C=CC(=O)c1cc2ccccc2[s]1 Amb25674040 [0,1,0,1,0,0|1,0,1]=4 4630 B14R2.972 CCC(=O)c1[n]c2ccccc2[s]1 Amb19649815 [0,1,0,1,0,0|2,0,0]=4 4631 B14R2.972 CCC(=O)c1cc2c([nH]1)cccc2 Amb17594349 [0,1,0,1,0,0|1,0,0]=3 4632 B14R2.972 CCC(=O)c1cc2c[n]ccc2[s]1 Amb25290370 [0,1,0,1,0,0|2,0,0]=4 4633 B14R2.972 CCC(=O)c1cc2ccccc2o1 Amb18178094 [0,1,0,1,0,0|1,0,0]=3 4634 B14R2.972 CNC(=O)c1c[n]2ccccc2[n]1 Amb20668178 [0,1,0,1,0,0|2,0,0]=4 4635 B14R2.972 CNC(=O)c1cc2c(o1)cccc2 Amb1089716 [0,1,0,1,0,0|1,0,0]=3 4636 B14R2.972 CNC(=O)c1cc2cccc[n]2c1 Amb24441593 [0,1,0,1,0,0|2,0,0]=4 4637 B14R2.972 CNC(=S)c1cc2ccccc2[s]1 Amb24743201 [0,1,0,1,0,0|1,1,0]=4 4638 B14R2.972 COC(=N)c1[n]c2ccccc2[s]1 Amb24061122 [0,1,0,1,0,0|2,0,0]=4 4639 B14R2.972 COC(=N)c1cc2ccccc2o1 Amb18180472 [0,1,0,1,0,0|1,0,0]=3 4640 B14R2.972 COC(=O)C1=CN2C=CC=CC2N1 Amb24058254 [0,1,0,1,0,0|1,0,1]=4 4641 B14R2.972 COC(=O)C1Cc2ccccc2C1 Amb21859222 [0,1,0,1,0,0|0,0,2]=4 4642 B14R2.972 COC(=O)C=1Cc2ccccc2C1 Amb25776174 [0,1,0,1,0,0|0,0,0]=2 4643 B14R2.972 COC(=O)[C@@H]1Cc2ccccc2N1 Amb18180641 [0,1,0,1,0,0|0,0,2]=4 4644 B14R2.972 COC(=O)[C@H]1Cc2ccccc2N1 Amb25751911 [0,1,0,1,0,0|0,0,2]=4 4645 B14R2.972 COC(=O)[n]1cc2ccccc2c1 Amb24100787 [0,1,0,1,0,0|1,0,0]=3 4646 B14R2.972 COC(=O)c1[nH]c2c[n]ccc2[n]1 Amb25320841 [0,1,0,1,0,0|2,0,0]=4 4647 B14R2.972 COC(=O)c1[nH]c2ccccc2[n]1 Amb22899964 [0,1,0,1,0,0|1,0,0]=3 4648 B14R2.972 COC(=O)c1[n]c2[n]cccc2[s]1 Amb22491355 [0,1,0,1,0,0|2,0,0]=4 4649 B14R2.972 COC(=O)c1[n]c2c[n]ccc2[s]1 Amb25697585 [0,1,0,1,0,0|2,0,0]=4 4650 B14R2.972 COC(=O)c1[n]c2c[n]ccc2o1 Amb24701281 [0,1,0,1,0,0|2,0,0]=4 4651 B14R2.972 COC(=O)c1[n]c2ccc[n]c2[s]1 Amb24394990 [0,1,0,1,0,0|2,0,0]=4 4652 B14R2.972 COC(=O)c1[n]c2ccccc2o1 Amb19958887 [0,1,0,1,0,0|1,0,0]=3 4653 B14R2.972 COC(=O)c1c[n]2[n]cccc2c1 Amb22233752 [0,1,0,1,0,0|2,0,0]=4 4654 B14R2.972 COC(=O)c1c[n]2cc[n]cc2[n]1 Amb22898996 [0,1,0,1,0,0|2,0,0]=4 4655 B14R2.972 COC(=O)c1c[n]2ccccc2[n]1 Amb21980464 [0,1,0,1,0,0|1,0,0]=3 4656 B14R2.972 COC(=O)c1cc2OCC=Cc2[s]1 Amb23509856 [0,1,0,1,0,0|1,0,1]=4 4657 B14R2.972 COC(=O)c1cc2[n]cc[n]c2[s]1 Amb24179185 [0,1,0,1,0,0|2,0,0]=4 4658 B14R2.972 COC(=O)c1cc2c([nH]1)cccc2 Amb1030871 [0,1,0,1,0,0|0,0,0]=2 4659 B14R2.972 COC(=O)c1cc2c([nH]1)ccnc2 Amb13885338 [0,1,0,1,0,0|1,0,0]=3 4660 B14R2.972 COC(=O)c1cc2c([nH]1)cncc2 Amb13885337 [0,1,0,1,0,0|1,0,0]=3 4661 B14R2.972 COC(=O)c1cc2c([nH]1)nccc2 Amb2236513 [0,1,0,1,0,0|1,0,0]=3 4662 B14R2.972 COC(=O)c1cc2c(o1)cccc2 Amb2438530 [0,1,0,1,0,0|0,0,0]=2 4663 B14R2.972 COC(=O)c1cc2c(s1)cccc2 Amb1089421 [0,1,0,1,0,0|0,0,0]=2 4664 B14R2.972 COC(=O)c1cc2c(s1)nccc2 Amb10975342 [0,1,0,1,0,0|1,0,0]=3 4665 B14R2.972 COC(=O)c1cc2c[n][n]cc2[s]1 Amb24730880 [0,1,0,1,0,0|2,0,0]=4 4666 B14R2.972 COC(=O)c1cc2c[n]ccc2o1 Amb23585453 [0,1,0,1,0,0|1,0,0]=3 4667 B14R2.972 COC(=O)c1cc2cc[n]cc2[s]1 Amb20075908 [0,1,0,1,0,0|1,0,0]=3 4668 B14R2.972 COC(=O)c1cc2cc[n]cc2o1 Amb24496918 [0,1,0,1,0,0|1,0,0]=3 4669 B14R2.972 COC(=O)c1cc2cccc[n]2c1 Amb19335913 [0,1,0,1,0,0|1,0,0]=3 4670 B14R2.972 COC(=O)c1cc2n(n1)cccc2 Amb10067445 [0,1,0,1,0,0|1,0,0]=3 4671 B14R2.972 COC(=S)c1[n]c2ccccc2o1 Amb24574275 [0,1,0,1,0,0|1,1,0]=4 4672 B14R2.972 COS(=O)c1[n]c2ccccc2[s]1 Amb24061132 [0,1,0,1,0,0|2,0,0]=4 4673 B14R2.972 C\C(=C/C)\c1cc2ccccc2[nH]1 Amb24383143 [0,1,0,1,0,0|2,0,0]=4 4674 B14R2.972 ICC(=O)c1cc2ccccc2[nH]1 Amb17673979 [0,1,0,1,0,0|2,0,0]=4 4675 B14R2.972 N#CC(=O)c1cc2ccccc2o1 Amb24492726 [0,1,0,1,0,0|2,0,0]=4 4676 B14R2.972 NNC(=O)C=1Cc2ccccc2C1 Amb24377731 [0,1,0,1,0,0|2,0,0]=4 4677 B14R2.972 NNC(=O)c1cc2c([nH]1)cccc2 Amb1799191 [0,1,0,1,0,0|2,0,0]=4 4678 B14R2.972 NNC(=O)c1cc2c(o1)cccc2 Amb1830252 [0,1,0,1,0,0|2,0,0]=4 4679 B14R2.972 O=C(C=O)c1cc2ccccc2[s]1 Amb20671215 [0,1,0,1,0,0|2,0,0]=4 4680 B14R2.972 O=C(C=O)c1cc2ccccc2o1 Amb18825262 [0,1,0,1,0,0|2,0,0]=4 4681 B14R2.972 O=C(CCl)c1cc2ccccc2[s]1 Amb25073092 [0,1,0,1,0,0|2,0,0]=4 4682 B14R2.972 O=C(CI)c1cc2ccccc2o1 Amb25364374 [0,1,0,1,0,0|2,0,0]=4 4683 B14R2.972 O=CC(=O)c1cc2c([nH]1)cccc2 Amb17594343 [0,1,0,1,0,0|2,0,0]=4 4684 B14R2.972 O=CC(=O)c1cc2c(o1)cccc2 Amb10067948 [0,1,0,1,0,0|2,0,0]=4 4685 B14R2.972 O=CC(=O)c1cc2c(s1)cccc2 Amb10067949 [0,1,0,1,0,0|2,0,0]=4 4686 B14R2.972 OCC(=O)c1cc2ccccc2[nH]1 Amb24744518 [0,1,0,1,0,0|2,0,0]=4 4687 B14R2.972 OCC(=O)c1cc2ccccc2o1 Amb18808836 [0,1,0,1,0,0|2,0,0]=4 4688 B14R2.972 ONC(=O)c1cc2ccccc2[nH]1 Amb24658826 [0,1,0,1,0,0|2,0,0]=4 4689 B14R2.972 ONC(=O)c1cc2ccccc2[s]1 Amb19079315 [0,1,0,1,0,0|2,0,0]=4 4690 B14R2.1128 CCc1[n]c2ccccc2cc1O Amb24749839 [0,1,0,1,0,0|2,0,0]=4 4691 B14R2.1128 CCc1cc2ccccc2cc1O Amb25059607 [0,1,0,1,0,0|2,0,0]=4 4692 B14R2.1128 CCc1nc2ccccc2cc1C Amb10568525 [0,1,0,1,0,0|2,0,0]=4 4693 B14R2.1128 COC1=CC2=CC=CNC2=CC1=N Amb24524090 [0,1,0,1,0,0|2,0,0]=4 4694 B14R2.1128 COC1=Cc2ccccc2OC1=O Amb23512578 [0,1,0,1,0,0|2,0,0]=4 4695 B14R2.1128 COc1[n]c2ccccc2[nH]c1=O Amb24102316 [0,1,0,1,0,0|2,0,0]=4 4696 B14R2.1128 COc1[n]c2ccccc2[n]c1N Amb18127415 [0,1,0,1,0,0|2,0,0]=4 4697 B14R2.1128 COc1[n]c2ccccc2cc1Cl Amb24533657 [0,1,0,1,0,0|1,0,0]=3 4698 B14R2.1128 COc1[n]c2ccccc2cc1F Amb22547228 [0,1,0,1,0,0|1,0,0]=3 4699 B14R2.1128 COc1cc2[n]cccc2cc1N Amb24427333 [0,1,0,1,0,0|2,0,0]=4 4700 B14R2.1128 COc1cc2[n]cccc2cc1O Amb24092164 [0,1,0,1,0,0|2,0,0]=4 4701 B14R2.1128 COc1cc2c[n]ccc2cc1Br Amb25771927 [0,1,0,1,0,0|2,0,0]=4 4702 B14R2.1128 COc1cc2c[n]ccc2cc1Cl Amb24433387 [0,1,0,1,0,0|2,0,0]=4 4703 B14R2.1128 COc1cc2c[n]ccc2cc1F Amb25697053 [0,1,0,1,0,0|2,0,0]=4 4704 B14R2.1128 COc1cc2c[n]ccc2cc1I Amb24566749 [0,1,0,1,0,0|2,0,0]=4 4705 B14R2.1128 COc1cc2c[n]ccc2cc1N Amb18197674 [0,1,0,1,0,0|2,0,0]=4 4706 B14R2.1128 COc1cc2c[n]ccc2cc1O Amb24092161 [0,1,0,1,0,0|2,0,0]=4 4707 B14R2.1128 COc1cc2ccc[n]c2cc1Br Amb23437339 [0,1,0,1,0,0|2,0,0]=4 4708 B14R2.1128 COc1cc2ccc[n]c2cc1Cl Amb23401102 [0,1,0,1,0,0|2,0,0]=4 4709 B14R2.1128 COc1cc2ccc[n]c2cc1F Amb19957347 [0,1,0,1,0,0|2,0,0]=4 4710 B14R2.1128 COc1cc2ccc[n]c2cc1I Amb23400929 [0,1,0,1,0,0|2,0,0]=4 4711 B14R2.1128 COc1cc2ccc[n]c2cc1N Amb24565737 [0,1,0,1,0,0|2,0,0]=4 4712 B14R2.1128 COc1cc2ccc[n]c2cc1O Amb25226833 [0,1,0,1,0,0|2,0,0]=4 4713 B14R2.1128 COc1cc2ccccc2[n]c1Br Amb25739600 [0,1,0,1,0,0|2,0,0]=4 4714 B14R2.1128 COc1cc2ccccc2[n]c1Cl Amb24534649 [0,1,0,1,0,0|2,0,0]=4 4715 B14R2.1128 COc1cc2ccccc2c[n+]1[O-] Amb25246981 [0,1,0,1,0,0|2,0,0]=4 4716 B14R2.1128 COc1cc2ccccc2cc1Br Amb22445934 [0,1,0,1,0,0|1,0,0]=3 4717 B14R2.1128 COc1cc2ccccc2cc1Cl Amb24735700 [0,1,0,1,0,0|1,0,0]=3 4718 B14R2.1128 COc1cc2ccccc2cc1N Amb18127045 [0,1,0,1,0,0|1,0,0]=3 4719 B14R2.1128 COc1nc2ccccc2cc1Br Amb10608360 [0,1,0,1,0,0|1,0,0]=3 4720 B14R2.1128 CSc1cc2ccccc2cc1O Amb25776653 [0,1,0,1,0,0|1,1,0]=4 4721 B14R2.1128 Cc1[n]c2ccccc2[n]c1OC Amb24084542 [0,1,0,1,0,0|2,0,0]=4 4722 B14R2.1128 Cc1[n]c2ccccc2cc1OC Amb22496216 [0,1,0,1,0,0|2,0,0]=4 4723 B14R2.1128 Cc1cc2[n]cccc2cc1OC Amb22886999 [0,1,0,1,0,0|2,0,0]=4 4724 B14R2.1128 Cc1cc2c[n]ccc2cc1OC Amb24091791 [0,1,0,1,0,0|2,0,0]=4 4725 B14R2.1128 Cc1cc2cc[n]cc2cc1OC Amb24092162 [0,1,0,1,0,0|2,0,0]=4 4726 B14R2.1128 Cc1cc2ccccc2[n]c1OC Amb22498215 [0,1,0,1,0,0|1,0,0]=3 4727 B14R2.1128 Cc1cc2ccccc2cc1OC Amb24415328 [0,1,0,1,0,0|1,0,0]=3 4728 B14R2.1134 O\N=C/1\C=C(C1=O)c2ccccc2 Amb24578274 [0,1,0,1,0,0|2,0,0]=4 4729 B14R2.8188 CC1=Cc2ccccc2N(C)C1=O Amb22904186 [0,1,0,1,0,0|1,0,0]=3 4730 B14R2.8188 CC1=Nc2ccccc2N(C)C1=O Amb19652902 [0,1,0,1,0,0|2,0,0]=4 4731 B14R2.8188 CN1C(=O)C(Br)=Cc2ccccc12 Amb20246919 [0,1,0,1,0,0|1,0,0]=3 4732 B14R2.8188 CN1C(=O)C(Cl)=Nc2ccccc12 Amb21926980 [0,1,0,1,0,0|2,0,0]=4 4733 B14R2.8188 CN1C(=O)C(F)=Cc2ccccc12 Amb22547226 [0,1,0,1,0,0|1,0,0]=3 4734 B14R2.8188 CN1C(=O)C(N)=Cc2ccc[n]c12 Amb23456040 [0,1,0,1,0,0|2,0,0]=4 4735 B14R2.8188 CN1C(=O)C(N)=Cc2ccccc12 Amb18065259 [0,1,0,1,0,0|1,0,0]=3 4736 B14R2.8188 CN1C(=O)C(O)=Cc2ccccc12 Amb22751143 [0,1,0,1,0,0|1,0,0]=3 4737 B14R2.8188 CN1c2ccccc2CC(=O)C1=O Amb24492727 [0,1,0,1,0,0|1,0,1]=4 4738 B14R2.8188 CN1c2ccccc2NC(=O)C1=O Amb19516760 [0,1,0,1,0,0|2,0,0]=4 4739 B14R2.8188 C[n]1c(=O)c(Cl)cc2ccccc12 Amb24085901 [0,1,0,1,0,0|1,0,0]=3 4740 B14R2.8188 C[n]1c(=O)c(I)cc2ccccc12 Amb24102257 [0,1,0,1,0,0|1,0,0]=3 4741 B14R2.8188 Cc1c2ccccc2cc(N)c1N Amb24663153 [0,1,0,1,0,0|2,0,0]=4 4742 B14R2.8188 Cc1c2ccccc2cc(O)c1C Amb24309351 [0,1,0,1,0,0|2,0,0]=4 4743 B14R2.8188 Cc1nc2ccccc2n(c1=O)C Amb1677472 [0,1,0,1,0,0|2,0,0]=4 4744 B14R2.8188 O=C1C(=Cc2c(C1=O)cccc2)O Amb17594373 [0,1,0,1,0,0|2,0,0]=4 4745 B14R2.8188 Oc1nc2ccccc2n(c1=O)C Amb10553642 [0,1,0,1,0,0|2,0,0]=4 4746 B14R2.10659 CC1(Cc2ccccc12)C(=O)OC Amb25341517 [0,1,0,1,0,0|0,0,2]=4 4747 B14R2.3492 ClCC1(CO1)\C=C\c2ccccc2 Amb25088366 [0,1,0,1,0,0|1,0,1]=4 4748 B14R2.441 O=C1C=C(c2ccccc2)C1(Cl)Cl Amb22171804 [0,1,0,1,0,0|2,0,0]=4 4749 B14R2.781 CC(=S)c1cc2ccccc2cc1 Amb25287380 [0,1,0,1,0,0|2,0,0]=4 4750 B14R2.781 CC(C)c1ccc2ccccc2[n]1 Amb24715817 [0,1,0,1,0,0|2,0,0]=4 4751 B14R2.781 CC(N)c1ccc2ccccc2[n]1 Amb24548779 [0,1,0,1,0,0|2,0,0]=4 4752 B14R2.781 CC(O)c1ccc2ccccc2[n]1 Amb25215245 [0,1,0,1,0,0|2,0,0]=4 4753 B14R2.781 CC(c1ccc2c(c1)cccc2)N Amb1211899 [0,1,0,1,0,0|2,0,0]=4 4754 B14R2.781 CN(C)c1cc2ccccc2cc1 Amb22228802 [0,1,0,1,0,0|2,0,0]=4 4755 B14R2.781 CN(N)c1ccc2ccccc2[n]1 Amb24496927 [0,1,0,1,0,0|2,0,0]=4 4756 B14R2.781 CS(=O)c1ccc2c(c1)cccc2 Amb10553605 [0,1,0,1,0,0|1,1,0]=4 4757 B14R2.781 CS(=O)c1ccc2ccccc2[n]1 Amb24752358 [0,1,0,1,0,0|1,1,0]=4 4758 B14R2.781 C[C@@H](O)c1ccc2ccccc2[n]1 Amb25839820 [0,1,0,1,0,0|2,0,0]=4 4759 B14R2.781 C[C@H](N)c1ccc2ccccc2[n]1 Amb24711720 [0,1,0,1,0,0|2,0,0]=4 4760 B14R2.781 C[C@H](c1ccc2c(c1)cccc2)N Amb13951472 [0,1,0,1,0,0|2,0,0]=4 4761 B14R2.781 C[C@H](c1ccc2c(c1)cccc2)O Amb10844722 [0,1,0,1,0,0|2,0,0]=4 4762 B14R2.92 CCN1C=Cc2ccccc2C1=O Amb19127189 [0,1,0,1,0,0|2,0,0]=4 4763 B14R2.92 CCc1ccc2ccccc2[n+]1C Amb24631895 [0,1,0,1,0,0|2,0,0]=4 4764 B14R2.92 CCc1ccc2ccccc2c1N Amb24355866 [0,1,0,1,0,0|2,0,0]=4 4765 B14R2.92 CCc1ccc2ccccc2c1O Amb24628806 [0,1,0,1,0,0|1,0,1]=4 4766 B14R2.92 CNc1ccc2c(c1N)cccc2 Amb17594325 [0,1,0,1,0,0|2,0,0]=4 4767 B14R2.92 CNc1ccc2ccccc2c1O Amb25780731 [0,1,0,1,0,0|1,0,1]=4 4768 B14R2.92 COC1=CCc2ccccc2C1N Amb18127482 [0,1,0,1,0,0|1,0,1]=4 4769 B14R2.92 COC1=CNc2ccccc2C1=O Amb25679917 [0,1,0,1,0,0|1,0,0]=3 4770 B14R2.92 COC1=NNc2ccccc2C1=O Amb25767840 [0,1,0,1,0,0|2,0,0]=4 4771 B14R2.92 COC1C=Cc2ccccc2N1C Amb24084529 [0,1,0,1,0,0|1,0,1]=4 4772 B14R2.92 CO[C@@H]1C=Cc2ccccc2C1O Amb24495723 [0,1,0,1,0,0|0,0,2]=4 4773 B14R2.92 CO[C@@H]1C=Cc2ccccc2[C@H]1O Amb24566208 [0,1,0,1,0,0|0,0,2]=4 4774 B14R2.92 CO[C@H]1C=Cc2ccccc2C1O Amb25788918 [0,1,0,1,0,0|0,0,2]=4 4775 B14R2.92 CO[C@H]1C=Cc2ccccc2[C@@H]1O Amb24595802 [0,1,0,1,0,0|0,0,2]=4 4776 B14R2.92 COc1c[n]c2ccccc2c1N Amb18127237 [0,1,0,1,0,0|2,0,0]=4 4777 B14R2.92 COc1ccc2[n]cccc2c1Br Amb18354242 [0,1,0,1,0,0|2,0,0]=4 4778 B14R2.92 COc1ccc2[n]cccc2c1Cl Amb23437324 [0,1,0,1,0,0|2,0,0]=4 4779 B14R2.92 COc1ccc2[n]cccc2c1F Amb21858484 [0,1,0,1,0,0|2,0,0]=4 4780 B14R2.92 COc1ccc2[n]cccc2c1I Amb23403115 [0,1,0,1,0,0|2,0,0]=4 4781 B14R2.92 COc1ccc2[n]cccc2c1O Amb18127369 [0,1,0,1,0,0|1,0,1]=4 4782 B14R2.92 COc1ccc2c(c1Br)nccc2 Amb16226757 [0,1,0,1,0,0|2,0,0]=4 4783 B14R2.92 COc1ccc2c(c1I)cccc2 Amb2477152 [0,1,0,1,0,0|1,0,0]=3 4784 B14R2.92 COc1ccc2c(c1N)cccc2 Amb17200200 [0,1,0,1,0,0|1,0,0]=3 4785 B14R2.92 COc1ccc2c(c1O)cccc2 Amb17200201 [0,1,0,1,0,0|0,0,1]=3 4786 B14R2.92 COc1ccc2c[n]ccc2c1Br Amb19100700 [0,1,0,1,0,0|2,0,0]=4 4787 B14R2.92 COc1ccc2c[n]ccc2c1N Amb24062940 [0,1,0,1,0,0|2,0,0]=4 4788 B14R2.92 COc1ccc2cc[n]cc2c1Br Amb19100699 [0,1,0,1,0,0|2,0,0]=4 4789 B14R2.92 COc1ccc2cc[n]cc2c1Cl Amb24569536 [0,1,0,1,0,0|2,0,0]=4 4790 B14R2.92 COc1ccc2cc[n]cc2c1O Amb25143543 [0,1,0,1,0,0|1,0,1]=4 4791 B14R2.92 COc1ccc2ccc[n]c2c1Cl Amb23437321 [0,1,0,1,0,0|2,0,0]=4 4792 B14R2.92 COc1ccc2ccc[n]c2c1F Amb23403105 [0,1,0,1,0,0|2,0,0]=4 4793 B14R2.92 COc1ccc2ccc[n]c2c1I Amb23400932 [0,1,0,1,0,0|2,0,0]=4 4794 B14R2.92 COc1ccc2ccc[n]c2c1N Amb20621536 [0,1,0,1,0,0|2,0,0]=4 4795 B14R2.92 COc1ccc2ccccc2[n+]1C Amb24621441 [0,1,0,1,0,0|1,0,0]=3 4796 B14R2.92 COc1ccc2ccccc2c1C Amb17743960 [0,1,0,1,0,0|1,0,0]=3 4797 B14R2.92 COc1ccc2ccccc2c1Cl Amb22494151 [0,1,0,1,0,0|1,0,0]=3 4798 B14R2.92 CSC1=CNc2ccccc2C1=O Amb24520699 [0,1,0,1,0,0|1,1,0]=4 4799 B14R2.92 CSc1ccc2ccccc2[n+]1C Amb17845236 [0,1,0,1,0,0|1,1,0]=4 4800 B14R2.92 CSc1ccc2ccccc2c1O Amb18650649 [0,1,0,1,0,0|0,1,1]=4 4801 B14R2.92 Cc1c(C=O)ccc2[n]cccc21 Amb24418526 [0,1,0,1,0,0|2,0,0]=4 4802 B14R2.92 Cc1c(CN)ccc2ccccc21 Amb25815347 [0,1,0,1,0,0|2,0,0]=4 4803 B14R2.92 Cc1c(CO)ccc2ccccc21 Amb24415352 [0,1,0,1,0,0|1,0,1]=4 4804 B14R2.92 Cc1c2ccccc2ccc1C#C Amb24536447 [0,1,0,1,0,0|2,0,0]=4 4805 B14R2.92 Cc1c2ccccc2ccc1NN Amb25727291 [0,1,0,1,0,0|2,0,0]=4 4806 B14R2.92 N#Cc1ccc2c(c1C)cccc2 Amb17594178 [0,1,0,1,0,0|2,0,0]=4 4807 B14R2.92 O=Cc1ccc2c(c1C)cccc2 Amb17594259 [0,1,0,1,0,0|1,0,0]=3 4808 B14R2.92 O=Cc1ccc2ccccc2c1S Amb25668854 [0,1,0,1,0,0|2,0,0]=4 4809 B14R2.92 O\N=C/1\C=Cc2ccccc2C1=O Amb24449007 [0,1,0,1,0,0|2,0,0]=4 4810 B14R2.92 O\N=C\1/C=Cc2ccccc2C1=O Amb22489656 [0,1,0,1,0,0|2,0,0]=4 4811 B14R2.92 [N-]=[N+]=C1C=Cc2ccccc2C1=O Amb25758125 [0,1,0,1,0,0|2,0,0]=4 4812 B14R2.93 COC=1C=Cc2[n]cccc2CN1 Amb25360890 [0,1,0,1,0,0|2,0,0]=4 4813 B14R2.93 O=CC1=CNc2ccccc2C=C1 Amb25242455 [0,1,0,1,0,0|2,0,0]=4 4814 B14R2.256 Brc1occ(c1)c2ccccc2C Amb10600645 [0,1,0,1,0,0|1,0,1]=4 4815 B14R2.256 Brc1occ(c1)c2ccccc2F Amb10600647 [0,1,0,1,0,0|1,0,1]=4 4816 B14R2.256 Cc1cc([n]o1)-c2ccccc2Br Amb24461615 [0,1,0,1,0,0|2,0,0]=4 4817 B14R2.256 Cc1cc([n]o1)-c2ccccc2O Amb24492569 [0,1,0,1,0,0|2,0,0]=4 4818 B14R2.256 Cc1ccccc1-c2cc(O)o[n]2 Amb20672902 [0,1,0,1,0,0|1,0,1]=4 4819 B14R2.256 Cc1ccccc1C=2CC(=O)ON2 Amb25131716 [0,1,0,1,0,0|1,0,1]=4 4820 B14R2.256 Cc1ccccc1C=2NC(=O)ON2 Amb19372941 [0,1,0,1,0,0|2,0,0]=4 4821 B14R2.256 Cc1ccccc1[C@@H]2COC(=O)N2 Amb25153778 [0,1,0,1,0,0|1,0,1]=4 4822 B14R2.256 Cc1ccccc1[C@H]2COC(=O)N2 Amb25341207 [0,1,0,1,0,0|1,0,1]=4 4823 B14R2.256 Nc1[n]cccc1C=2CCC(=O)C2 Amb24495117 [0,1,0,1,0,0|2,0,0]=4 4824 B14R2.256 Nc1cc([n]o1)-c2ccccc2N Amb25820186 [0,1,0,1,0,0|2,0,0]=4 4825 B14R2.256 Nc1cc([n]o1)-c2ccccc2O Amb18647949 [0,1,0,1,0,0|2,0,0]=4 4826 B14R2.256 Nc1ccccc1C2COC(=O)N2 Amb24679539 [0,1,0,1,0,0|1,0,1]=4 4827 B14R2.256 Nc1occ(c1)c2ccccc2C Amb10600646 [0,1,0,1,0,0|1,0,1]=4 4828 B14R2.256 Nc1occ(c1)c2ccccc2F Amb10600648 [0,1,0,1,0,0|1,0,1]=4 4829 B14R2.256 O=C1C=[N+]([N-]O1)c2ccccc2Cl Amb22345206 [0,1,0,1,0,0|2,0,0]=4 4830 B14R2.256 O=C1CC(=NO1)c2ccccc2Cl Amb25817486 [0,1,0,1,0,0|1,0,1]=4 4831 B14R2.256 O=C1CCC(=C1)c2cc[n]cc2F Amb25153655 [0,1,0,1,0,0|2,0,0]=4 4832 B14R2.256 O=C1CCC(=C1)c2ccc[n]c2F Amb25320102 [0,1,0,1,0,0|2,0,0]=4 4833 B14R2.256 O=C1CCC(=C1)c2ccccc2Br Amb18071045 [0,1,0,1,0,0|1,0,0]=3 4834 B14R2.256 O=C1CCC(=C1)c2ccccc2C Amb17138687 [0,1,0,1,0,0|1,0,0]=3 4835 B14R2.256 O=C1CCC(=C1)c2ccccc2Cl Amb17139380 [0,1,0,1,0,0|1,0,0]=3 4836 B14R2.256 O=C1CCC(=C1)c2ccccc2F Amb17138771 [0,1,0,1,0,0|1,0,0]=3 4837 B14R2.256 O=C1NC(=NO1)c2ccccc2Cl Amb18321585 [0,1,0,1,0,0|2,0,0]=4 4838 B14R2.256 O=C1NC(CO1)c2ccccc2Br Amb25061795 [0,1,0,1,0,0|1,0,1]=4 4839 B14R2.256 O=C1NC(CO1)c2ccccc2Cl Amb24714277 [0,1,0,1,0,0|1,0,1]=4 4840 B14R2.256 O=C1NC(CO1)c2ccccc2F Amb24642133 [0,1,0,1,0,0|1,0,1]=4 4841 B14R2.256 O=C1N[C@@H](CO1)c2ccccc2Br Amb24447521 [0,1,0,1,0,0|1,0,1]=4 4842 B14R2.256 O=C1N[C@@H](CO1)c2ccccc2Cl Amb25328280 [0,1,0,1,0,0|1,0,1]=4 4843 B14R2.256 O=C1N[C@H](CO1)c2ccccc2Br Amb25050168 [0,1,0,1,0,0|1,0,1]=4 4844 B14R2.256 O=C1N[C@H](CO1)c2ccccc2F Amb25085105 [0,1,0,1,0,0|1,0,1]=4 4845 B14R2.256 Oc1cc([n]o1)-c2ccccc2Br Amb20672940 [0,1,0,1,0,0|1,0,1]=4 4846 B14R2.256 Oc1cc([n]o1)-c2ccccc2Cl Amb20672919 [0,1,0,1,0,0|1,0,1]=4 4847 B14R2.256 Oc1cc([n]o1)-c2ccccc2F Amb20672910 [0,1,0,1,0,0|1,0,1]=4 4848 B14R2.256 Oc1ccccc1-c2cc(Br)o[n]2 Amb24636963 [0,1,0,1,0,0|2,0,0]=4 4849 B14R2.256 Oc1ccccc1C2=CC(=O)NS2 Amb25156956 [0,1,0,1,0,0|2,0,0]=4 4850 B14R2.1801 CCc1cc2cccc(O)c2cc1 Amb25850556 [0,1,0,1,0,0|2,0,0]=4 4851 B14R2.1801 CCc1ccc2c(F)cccc2[n]1 Amb25823138 [0,1,0,1,0,0|2,0,0]=4 4852 B14R2.1801 CCc1ccc2c(N)cccc2[n]1 Amb25712154 [0,1,0,1,0,0|2,0,0]=4 4853 B14R2.1801 COC=1Cc2cccc(N)c2CC1 Amb25243253 [0,1,0,1,0,0|1,0,1]=4 4854 B14R2.1801 COc1[n]c2cccc(Br)c2c[n]1 Amb18157411 [0,1,0,1,0,0|2,0,0]=4 4855 B14R2.1801 COc1[n]c2cccc(Cl)c2c[n]1 Amb24556454 [0,1,0,1,0,0|2,0,0]=4 4856 B14R2.1801 COc1c[n]c2c(N)cccc2[n]1 Amb25044226 [0,1,0,1,0,0|2,0,0]=4 4857 B14R2.1801 COc1c[n]c2c(N)cccc2c1 Amb24183789 [0,1,0,1,0,0|2,0,0]=4 4858 B14R2.1801 COc1c[n]c2c(O)cccc2c1 Amb25852325 [0,1,0,1,0,0|2,0,0]=4 4859 B14R2.1801 COc1c[n]c2c(S)cccc2c1 Amb25725531 [0,1,0,1,0,0|2,0,0]=4 4860 B14R2.1801 COc1cc2C=CNC(=O)c2cc1 Amb18034940 [0,1,0,1,0,0|2,0,0]=4 4861 B14R2.1801 COc1cc2C=COC(=O)c2cc1 Amb25090362 [0,1,0,1,0,0|2,0,0]=4 4862 B14R2.1801 COc1cc2CC=CC(=O)c2cc1 Amb21952654 [0,1,0,1,0,0|1,0,1]=4 4863 B14R2.1801 COc1cc2NC=CC(=O)c2cc1 Amb22234843 [0,1,0,1,0,0|2,0,0]=4 4864 B14R2.1801 COc1cc2NC=CC(=S)c2cc1 Amb24109680 [0,1,0,1,0,0|2,0,0]=4 4865 B14R2.1801 COc1cc2OC=CC(=O)c2cc1 Amb19894750 [0,1,0,1,0,0|2,0,0]=4 4866 B14R2.1801 COc1cc2[n]ccc(I)c2cc1 Amb24073904 [0,1,0,1,0,0|2,0,0]=4 4867 B14R2.1801 COc1cc2c[n]cc(N)c2cc1 Amb18127229 [0,1,0,1,0,0|2,0,0]=4 4868 B14R2.1801 COc1cc2c[n]cc(O)c2cc1 Amb24428936 [0,1,0,1,0,0|2,0,0]=4 4869 B14R2.1801 COc1cc2cc[n]c(Br)c2cc1 Amb18062821 [0,1,0,1,0,0|2,0,0]=4 4870 B14R2.1801 COc1cc2cc[n]c(I)c2cc1 Amb25720831 [0,1,0,1,0,0|2,0,0]=4 4871 B14R2.1801 COc1cc2cc[n]c(O)c2cc1 Amb18560322 [0,1,0,1,0,0|2,0,0]=4 4872 B14R2.1801 COc1cc2cc[n]c(S)c2cc1 Amb25191747 [0,1,0,1,0,0|2,0,0]=4 4873 B14R2.1801 COc1cc2cccc(Br)c2c[n]1 Amb20247096 [0,1,0,1,0,0|2,0,0]=4 4874 B14R2.1801 COc1cc2cccc(Cl)c2cc1 Amb24330978 [0,1,0,1,0,0|1,0,0]=3 4875 B14R2.1801 COc1cc2cccc(F)c2cc1 Amb24330977 [0,1,0,1,0,0|1,0,0]=3 4876 B14R2.1801 COc1cc2cccc(I)c2cc1 Amb24089110 [0,1,0,1,0,0|1,0,0]=3 4877 B14R2.1801 COc1cc2cccc(N)c2cc1 Amb18127043 [0,1,0,1,0,0|1,0,0]=3 4878 B14R2.1801 COc1cc2cccc(N)c2cc1 Amb22364371 [0,1,0,1,0,0|1,0,0]=3 4879 B14R2.1801 COc1ccc2c(Br)cccc2[n]1 Amb18157722 [0,1,0,1,0,0|1,0,0]=3 4880 B14R2.1801 COc1ccc2c(F)cccc2[n]1 Amb25790690 [0,1,0,1,0,0|1,0,0]=3 4881 B14R2.1801 COc1ccc2c(N)cccc2[n]1 Amb18127236 [0,1,0,1,0,0|1,0,0]=3 4882 B14R2.1801 COc1ccc2c(O)cccc2[n]1 Amb25735678 [0,1,0,1,0,0|1,0,0]=3 4883 B14R2.1801 COc1ccc2c([n]1)OC=CC2=O Amb24735584 [0,1,0,1,0,0|2,0,0]=4 4884 B14R2.1801 COc1ccc2c(c1)cccc2O Amb10603866 [0,1,0,1,0,0|1,0,0]=3 4885 B14R2.1801 COc1ccc2c(c1)ccnc2Cl Amb10603410 [0,1,0,1,0,0|2,0,0]=4 4886 B14R2.1801 COc1ccc2c(c1)ccnc2N Amb17216965 [0,1,0,1,0,0|2,0,0]=4 4887 B14R2.1801 COc1ccc2c(c1)nccc2Cl Amb1994639 [0,1,0,1,0,0|2,0,0]=4 4888 B14R2.1801 COc1ccc2c(c1)nccc2N Amb1994611 [0,1,0,1,0,0|2,0,0]=4 4889 B14R2.1801 COc1ccc2c(c1)nccc2O Amb1994268 [0,1,0,1,0,0|2,0,0]=4 4890 B14R2.1801 CSc1cc2cccc(N)c2cc1 Amb25192276 [0,1,0,1,0,0|1,1,0]=4 4891 B14R2.1801 CSc1ccc2c(O)cccc2[n]1 Amb25670437 [0,1,0,1,0,0|1,1,0]=4 4892 B14R2.1801 Cc1[n]ccc2cc(ccc12)OC Amb24580619 [0,1,0,1,0,0|2,0,0]=4 4893 B14R2.1801 Cc1c[n]cc2cc(ccc12)OC Amb24092158 [0,1,0,1,0,0|2,0,0]=4 4894 B14R2.1801 Cc1cc[n]c2cc(ccc12)OC Amb20240028 [0,1,0,1,0,0|2,0,0]=4 4895 B14R2.1801 Cc1cccc2[n]c(ccc12)OC Amb25334780 [0,1,0,1,0,0|1,0,0]=3 4896 B14R2.1801 Cc1cccc2cc(ccc12)OC Amb23448322 [0,1,0,1,0,0|1,0,0]=3 4897 B14R2.4634 Oc1ccccc1\C=C\C=2CCC2 Amb25142601 [0,1,0,1,0,0|2,0,0]=4 4898 B14R2.8038 CN1C(=O)C=Cc2c(Cl)[n]ccc12 Amb23592151 [0,1,0,1,0,0|2,0,0]=4 4899 B14R2.8038 CN1C(=O)C=Cc2c(F)cccc12 Amb23448941 [0,1,0,1,0,0|1,0,0]=3 4900 B14R2.8038 CN1C(=O)C=Cc2c(N)[n]ccc12 Amb23592153 [0,1,0,1,0,0|2,0,0]=4 4901 B14R2.8038 CN1C(=O)C=Nc2c(Cl)cccc12 Amb25697085 [0,1,0,1,0,0|2,0,0]=4 4902 B14R2.8038 CN1C(=O)C=Nc2c(O)cccc12 Amb24614234 [0,1,0,1,0,0|2,0,0]=4 4903 B14R2.8038 CN1C=2C=CNC(=O)C2C=CC1=O Amb23592126 [0,1,0,1,0,0|2,0,0]=4 4904 B14R2.8038 Cc1c(O)ccc2c(N)cccc21 Amb25100961 [0,1,0,1,0,0|1,0,1]=4 4905 B14R2.8038 Cc1ccc2c(c1C)cccc2C Amb16192708 [0,1,0,1,0,0|2,0,0]=4 4906 B14R2.8038 Cc1cccc2c1C=CC(=O)C2=O Amb25821464 [0,1,0,1,0,0|2,0,0]=4 4907 B14R2.8038 O=C1c2cccc(Br)c2C=CC1=O Amb25826727 [0,1,0,1,0,0|2,0,0]=4 4908 B14R2.8038 O=C1c2cccc(Cl)c2C=CC1=O Amb25039362 [0,1,0,1,0,0|2,0,0]=4 4909 B14R2.8038 O=C1c2cccc(F)c2C=CC1=O Amb25709227 [0,1,0,1,0,0|2,0,0]=4 4910 B14R2.8038 Oc1cccc2c1C=CC(=O)C2=O Amb18647791 [0,1,0,1,0,0|2,0,0]=4 4911 B14R3.2534 C1Cc2[n]c3ccccc3cc21 Amb24654835 [0,0,0,2,0,0|2,0,0]=4 4912 B10R1.18 BrC(Br)=Cc1ccccc1 Amb17843371 [1,0,0,0,1,0|2,0,0]=4 4913 B10R1.18 C=C(O)C=C1C=COC=C1 Amb24407180 [1,0,0,0,1,0|2,0,0]=4 4914 B10R1.18 CC(=C)Nc1ccccc1 Amb25269461 [1,0,0,0,1,0|2,0,0]=4 4915 B10R1.18 CC(=N)Nc1ccccc1 Amb1086198 [1,0,0,0,1,0|2,0,0]=4 4916 B10R1.18 CC(=O)C[n+]1ccccc1 Amb1102043 [1,0,0,0,1,0|1,0,1]=4 4917 B10R1.18 CC(=O)Cc1ccc[n]c1 Amb22587708 [1,0,0,0,1,0|1,0,1]=4 4918 B10R1.18 CC(=O)Cc1ccccn1 Amb1995147 [1,0,0,0,1,0|1,0,1]=4 4919 B10R1.18 CC(=O)Cc1cccnc1 Amb10608569 [1,0,0,0,1,0|1,0,1]=4 4920 B10R1.18 CC(=O)Cc1ccncc1 Amb17935754 [1,0,0,0,1,0|1,0,1]=4 4921 B10R1.18 CC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb17607311 [1,0,0,0,1,0|1,0,0]=3 4922 B10R1.18 CC(=O)N[n+]1ccccc1 Amb10552800 [1,0,0,0,1,0|2,0,0]=4 4923 B10R1.18 CC(=O)N[n+]1ccccc1 Amb10552804 [1,0,0,0,1,0|2,0,0]=4 4924 B10R1.18 CC(=O)Nc1cc[n]cc1 Amb22451374 [1,0,0,0,1,0|2,0,0]=4 4925 B10R1.18 CC(=O)Nc1cc[n]cc1 Amb24086636 [1,0,0,0,1,0|2,0,0]=4 4926 B10R1.18 CC(=O)Oc1cc[n]cc1 Amb22522585 [1,0,0,0,1,0|2,0,0]=4 4927 B10R1.18 CC(=O)Oc1ccccc1 Amb22367025 [1,0,0,0,1,0|1,0,0]=3 4928 B10R1.18 CC(=O)Oc1ccccn1 Amb17619694 [1,0,0,0,1,0|2,0,0]=4 4929 B10R1.18 CC(=O)Sc1ccccc1 Amb10575810 [1,0,0,0,1,0|1,0,0]=3 4930 B10R1.18 CC(=O)[15NH]c1ccccc1 Amb22338649 [1,0,0,0,1,0|1,0,0]=3 4931 B10R1.18 CC(=O)\C=C\1/C=CC=CS1 Amb24610243 [1,0,0,0,1,0|1,0,0]=3 4932 B10R1.18 CC(C)=Cc1c[n]ccc1 Amb24417745 [1,0,0,0,1,0|2,0,0]=4 4933 B10R1.18 CC(N)=Pc1ccccc1 Amb25351589 [1,0,0,0,1,0|2,0,0]=4 4934 B10R1.18 CS(=O)Cc1ccccc1 Amb10565296 [1,0,0,0,1,0|1,0,1]=4 4935 B10R1.18 C[13C](=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22367563 [1,0,0,0,1,0|1,0,0]=3 4936 B10R1.18 C\C(\N)=C\c1cccc[n]1 Amb24518492 [1,0,0,0,1,0|2,0,0]=4 4937 B10R1.18 C\C(\O)=C/c1ccccc1 Amb24095309 [1,0,0,0,1,0|0,0,1]=3 4938 B10R1.18 C\C(\O)=C\c1cccc[n]1 Amb24100261 [1,0,0,0,1,0|1,0,1]=4 4939 B10R1.18 F\C(\Br)=C\c1ccccc1 Amb24053589 [1,0,0,0,1,0|2,0,0]=4 4940 B10R1.18 N=C(O)Nc1ccccc1 Amb19516159 [1,0,0,0,1,0|2,0,0]=4 4941 B10R1.18 NC(=O)Cc1ccccc1 Amb1224937 [1,0,0,0,1,0|1,0,1]=4 4942 B10R1.18 NC(=O)Nc1ccccc1 Amb2373965 [1,0,0,0,1,0|2,0,0]=4 4943 B10R1.18 N\C(\O)=C\c1cccc[n]1 Amb24068863 [1,0,0,0,1,0|2,0,0]=4 4944 B10R1.18 O=C(Br)Oc1ccccc1 Amb25174288 [1,0,0,0,1,0|2,0,0]=4 4945 B10R1.18 O=C(Cl)Nc1ccccc1 Amb24425698 [1,0,0,0,1,0|2,0,0]=4 4946 B10R1.18 O=C(F)Nc1ccccc1 Amb22731751 [1,0,0,0,1,0|2,0,0]=4 4947 B10R1.18 OC(=O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22353637 [1,0,0,0,1,0|0,0,1]=3 4948 B10R1.18 OC(=O)C[N]1=CC=CC=C1 Amb17836439 [1,0,0,0,1,0|1,0,1]=4 4949 B10R1.18 OC(=O)C[n+]1ccccc1 Amb10552774 [1,0,0,0,1,0|1,0,1]=4 4950 B10R1.18 OC(=O)C[n+]1ccccc1 Amb23468426 [1,0,0,0,1,0|1,0,1]=4 4951 B10R1.18 OC(=O)Cc1cc[nH+]cc1 Amb24113836 [1,0,0,0,1,0|1,0,1]=4 4952 B10R1.18 OC(=O)Cc1cccc[nH+]1 Amb10807486 [1,0,0,0,1,0|1,0,1]=4 4953 B10R1.18 OC(=O)Cc1cccc[nH+]1 Amb24113838 [1,0,0,0,1,0|1,0,1]=4 4954 B10R1.18 OC(=O)Nc1cc[n]cc1 Amb24070647 [1,0,0,0,1,0|2,0,0]=4 4955 B10R1.18 OC(=O)Nc1ccc[n]c1 Amb24102579 [1,0,0,0,1,0|2,0,0]=4 4956 B10R1.18 OC(=O)[13CH2]c1ccccc1 Amb22351854 [1,0,0,0,1,0|0,0,1]=3 4957 B10R1.18 OC(=S)Cc1ccccc1 Amb22262974 [1,0,0,0,1,0|0,1,1]=4 4958 B10R1.18 OC(=S)Nc1ccccc1 Amb24669066 [1,0,0,0,1,0|1,1,0]=4 4959 B10R1.18 OP(=O)Cc1ccccc1 Amb24617740 [1,0,0,0,1,0|1,0,1]=4 4960 B10R1.18 OP(=O)Oc1ccccc1 Amb24520486 [1,0,0,0,1,0|2,0,0]=4 4961 B10R1.18 O[13C](=O)Cc1ccccc1 Amb22363120 [1,0,0,0,1,0|0,0,1]=3 4962 B10R1.18 O[13C](=O)[13CH2]c1ccccc1 Amb22351754 [1,0,0,0,1,0|0,0,1]=3 4963 B10R1.18 O[14C](=O)Cc1ccccc1 Amb22337596 [1,0,0,0,1,0|0,0,1]=3 4964 B10R1.18 SC(=O)Cc1ccccc1 Amb10561701 [1,0,0,0,1,0|0,1,1]=4 4965 B10R1.18 [2H]C([2H])=Cc1ccccc1 Amb22363280 [1,0,0,0,1,0|2,0,0]=4 4966 B10R1.18 [O-]C(=O)Cc1ccccc1 Amb20240609 [1,0,0,0,1,0|0,0,2]=4 4967 B10R1.18 [O-]C(=O)Cc1ccccc1 Amb20246797 [1,0,0,0,1,0|0,0,2]=4 4968 B10R1.18 [O-]\[N+](=C/c1ccccc1)\C Amb2420785 [1,0,0,0,1,0|1,0,1]=4 4969 B10R1.66 CC(=O)\C=C/c1c[nH]c[n]1 Amb25774188 [1,0,0,0,1,0|2,0,0]=4 4970 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [1,0,0,0,1,0|1,0,0]=3 4971 B10R1.66 CC(=O)\C=C/c1cccs1 Amb10069576 [1,0,0,0,1,0|1,0,0]=3 4972 B10R1.66 CC(=O)\C=C\c1[n]cc[s]1 Amb24478442 [1,0,0,0,1,0|2,0,0]=4 4973 B10R1.66 CC(=O)\C=C\c1c[n]c[nH]1 Amb25203811 [1,0,0,0,1,0|2,0,0]=4 4974 B10R1.66 CC(=O)\C=C\c1c[n]c[s]1 Amb24478227 [1,0,0,0,1,0|2,0,0]=4 4975 B10R1.66 CC(=O)\C=C\c1c[s]c[n]1 Amb24673605 [1,0,0,0,1,0|2,0,0]=4 4976 B10R1.66 CC(=O)\C=C\c1cc[s]c1 Amb22370887 [1,0,0,0,1,0|1,0,0]=3 4977 B10R1.66 CC(=O)\C=C\c1ccco1 Amb1153591 [1,0,0,0,1,0|1,0,0]=3 4978 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [1,0,0,0,1,0|1,0,0]=3 4979 B10R1.66 ClC(=O)\C=C\c1ccco1 Amb16230244 [1,0,0,0,1,0|2,0,0]=4 4980 B10R1.66 NC(=O)C=Cc1ccc[s]1 Amb24061584 [1,0,0,0,1,0|2,0,0]=4 4981 B10R1.66 NC(=O)\C=C\c1cc[nH]c1 Amb25807301 [1,0,0,0,1,0|2,0,0]=4 4982 B10R1.66 NC(=O)\C=C\c1cc[s]c1 Amb24370950 [1,0,0,0,1,0|2,0,0]=4 4983 B10R1.66 NC(=O)\C=C\c1ccc[nH]1 Amb24612374 [1,0,0,0,1,0|2,0,0]=4 4984 B10R1.66 NC(=O)\C=C\c1ccoc1 Amb24667940 [1,0,0,0,1,0|2,0,0]=4 4985 B10R1.66 O=C(Cl)\C=C\c1cc[nH]c1 Amb25264875 [1,0,0,0,1,0|2,0,0]=4 4986 B10R1.66 O=C(Cl)\C=C\c1ccoc1 Amb25360259 [1,0,0,0,1,0|2,0,0]=4 4987 B10R1.66 OC(=O)C=Cc1ccc[s]1 Amb24076486 [1,0,0,0,1,0|1,0,0]=3 4988 B10R1.66 OC(=O)C=Cc1cscn1 Amb14011900 [1,0,0,0,1,0|2,0,0]=4 4989 B10R1.66 OC(=O)\C=C/c1[nH]cc[n]1 Amb24562289 [1,0,0,0,1,0|2,0,0]=4 4990 B10R1.66 OC(=O)\C=C/c1c[n]c[nH]1 Amb25069718 [1,0,0,0,1,0|2,0,0]=4 4991 B10R1.66 OC(=O)\C=C/c1cscc1 Amb10071559 [1,0,0,0,1,0|1,0,0]=3 4992 B10R1.66 OC(=O)\C=C\[n]1cccc1 Amb18643139 [1,0,0,0,1,0|1,0,0]=3 4993 B10R1.66 OC(=O)\C=C\c1c[nH][n]c1 Amb18955373 [1,0,0,0,1,0|2,0,0]=4 4994 B10R1.66 OC(=O)\C=C\c1c[n]c[s]1 Amb18255752 [1,0,0,0,1,0|2,0,0]=4 4995 B10R1.66 OC(=O)\C=C\c1c[n]co1 Amb24696626 [1,0,0,0,1,0|2,0,0]=4 4996 B10R1.66 OC(=O)\C=C\c1cc[nH][n]1 Amb25050852 [1,0,0,0,1,0|2,0,0]=4 4997 B10R1.66 OC(=O)\C=C\c1cc[nH]c1 Amb18643122 [1,0,0,0,1,0|1,0,0]=3 4998 B10R1.66 OC(=O)\C=C\c1cc[s][n]1 Amb24624065 [1,0,0,0,1,0|2,0,0]=4 4999 B10R1.66 OC(=O)\C=C\c1ccc[nH]1 Amb18643136 [1,0,0,0,1,0|1,0,0]=3 5000 B10R1.66 OC(=O)\C=C\c1coc[n]1 Amb24638306 [1,0,0,0,1,0|2,0,0]=4 5001 B10R1.66 OC(=O)\C=C\c1cscc1 Amb1154295 [1,0,0,0,1,0|1,0,0]=3 5002 B10R1.66 O[13C](=O)\[13CH]=[13CH]\c1c[n]c[nH]1 Amb19954840 [1,0,0,0,1,0|2,0,0]=4 5003 B10R1.66 [O-]C(=O)\C=C/c1ccco1 Amb22366386 [1,0,0,0,1,0|1,0,1]=4 5004 B10R1.27 COC(=O)Cc1cc[nH]c1 Amb24391178 [0,0,0,0,2,0|1,0,1]=4 5005 B10R1.27 COC(=O)Cc1ccc[nH]1 Amb25147302 [0,0,0,0,2,0|1,0,1]=4 5006 B10R1.27 COC(=O)Cc1ccco1 Amb23455987 [0,0,0,0,2,0|1,0,1]=4 5007 B10R1.27 COC(=O)Nc1ccc[s]1 Amb24418444 [0,0,0,0,2,0|2,0,0]=4 5008 B10R1.27 COC(=O)\C=C/1\CC=CO1 Amb24401463 [0,0,0,0,2,0|1,0,1]=4 5009 B10R1.15 BrCC(=O)c1ccccc1 Amb1102084 [0,0,0,0,2,0|2,0,0]=4 5010 B10R1.15 C#CC(=O)c1ccccc1 Amb1088846 [0,0,0,0,2,0|1,0,1]=4 5011 B10R1.15 C/C=C(\C)c1ccccc1 Amb17940650 [0,0,0,0,2,0|2,0,0]=4 5012 B10R1.15 C=CC(=O)c1ccccc1 Amb18062256 [0,0,0,0,2,0|1,0,1]=4 5013 B10R1.15 CC=C(F)c1ccccc1 Amb22008093 [0,0,0,0,2,0|2,0,0]=4 5014 B10R1.15 CCC(=C)c1ccccc1 Amb22234837 [0,0,0,0,2,0|2,0,0]=4 5015 B10R1.15 CCC(=O)c1ccncc1 Amb10576400 [0,0,0,0,2,0|2,0,0]=4 5016 B10R1.15 CCS(=O)c1ccccc1 Amb22234834 [0,0,0,0,2,0|2,0,0]=4 5017 B10R1.15 CCS(=O)c1ccccc1 Amb22500370 [0,0,0,0,2,0|2,0,0]=4 5018 B10R1.15 CC[S@@](=O)c1ccccc1 Amb22747460 [0,0,0,0,2,0|2,0,0]=4 5019 B10R1.15 CNC(=N)c1ccccc1 Amb23447117 [0,0,0,0,2,0|2,0,0]=4 5020 B10R1.15 CNC(=O)c1ccccc1 Amb1793916 [0,0,0,0,2,0|1,0,0]=3 5021 B10R1.15 CNC(=O)c1ccncc1 Amb1772729 [0,0,0,0,2,0|2,0,0]=4 5022 B10R1.15 CNC(=O)c1ccncc1 Amb1782568 [0,0,0,0,2,0|2,0,0]=4 5023 B10R1.15 CNC(=O)c1ccncc1 Amb1787524 [0,0,0,0,2,0|2,0,0]=4 5024 B10R1.15 CNC(=S)c1ccccc1 Amb10552988 [0,0,0,0,2,0|1,1,0]=4 5025 B10R1.15 CNS(=O)c1ccccc1 Amb24606698 [0,0,0,0,2,0|2,0,0]=4 5026 B10R1.15 COC(=C)c1ccccc1 Amb10558859 [0,0,0,0,2,0|1,0,0]=3 5027 B10R1.15 COC(=N)c1cc[n]cc1 Amb21963597 [0,0,0,0,2,0|2,0,0]=4 5028 B10R1.15 COC(=N)c1ccccn1 Amb10072424 [0,0,0,0,2,0|2,0,0]=4 5029 B10R1.15 COC(=N)c1ccccn1 Amb10552783 [0,0,0,0,2,0|2,0,0]=4 5030 B10R1.15 COC(=N)c1ccccn1 Amb10553348 [0,0,0,0,2,0|2,0,0]=4 5031 B10R1.15 COC(=O)C1=COCC=C1 Amb24100793 [0,0,0,0,2,0|1,0,1]=4 5032 B10R1.15 COC(=O)C1C=CCC=C1 Amb22365029 [0,0,0,0,2,0|0,0,2]=4 5033 B10R1.15 COC(=O)C=1C=CCNC1 Amb25105274 [0,0,0,0,2,0|1,0,1]=4 5034 B10R1.15 COC(=O)C=1CC=CCC1 Amb22365036 [0,0,0,0,2,0|0,0,2]=4 5035 B10R1.15 COC(=O)[n+]1ccccc1 Amb24649947 [0,0,0,0,2,0|1,0,0]=3 5036 B10R1.15 COC(=O)c1ccc[n][n]1 Amb21960450 [0,0,0,0,2,0|2,0,0]=4 5037 B10R1.15 COC(=O)c1ccc[n]c1 Amb22741138 [0,0,0,0,2,0|1,0,0]=3 5038 B10R1.15 COC(=O)c1cccnc1 Amb1212078 [0,0,0,0,2,0|1,0,0]=3 5039 B10R1.15 COC(=O)c1ccnnc1 Amb17935713 [0,0,0,0,2,0|2,0,0]=4 5040 B10R1.15 COC(=O)c1cnccn1 Amb2455964 [0,0,0,0,2,0|2,0,0]=4 5041 B10R1.15 COC(=S)c1ccccc1 Amb10569749 [0,0,0,0,2,0|0,1,0]=3 5042 B10R1.15 COC(=[NH2+])c1ccccc1 Amb10241351 [0,0,0,0,2,0|1,0,0]=3 5043 B10R1.15 COC(C)c1ccccc1 Amb23568513 [0,0,0,0,2,0|1,0,1]=4 5044 B10R1.15 COC(Cl)c1ccccc1 Amb17940179 [0,0,0,0,2,0|1,0,1]=4 5045 B10R1.15 COC(O)c1ccccc1 Amb25225981 [0,0,0,0,2,0|0,0,2]=4 5046 B10R1.15 CO[13C](=O)c1ccccc1 Amb22363354 [0,0,0,0,2,0|0,0,0]=2 5047 B10R1.15 CO[C@@H](Cl)c1ccccc1 Amb25108131 [0,0,0,0,2,0|1,0,1]=4 5048 B10R1.15 CSC(=N)c1ccccc1 Amb22488568 [0,0,0,0,2,0|1,1,0]=4 5049 B10R1.15 CSC(=N)c1ccccc1 Amb24542868 [0,0,0,0,2,0|1,1,0]=4 5050 B10R1.15 CSC(=O)c1ccccn1 Amb1487227 [0,0,0,0,2,0|1,1,0]=4 5051 B10R1.15 CSC(=S)c1ccccc1 Amb24395059 [0,0,0,0,2,0|0,2,0]=4 5052 B10R1.15 C\N=C(\Cl)/c1ccccc1 Amb25835717 [0,0,0,0,2,0|2,0,0]=4 5053 B10R1.15 FCC(=O)c1ccccc1 Amb10603600 [0,0,0,0,2,0|2,0,0]=4 5054 B10R1.15 NCC(=O)c1ccccc1 Amb1073498 [0,0,0,0,2,0|2,0,0]=4 5055 B10R1.15 NNC(=O)c1ccccc1 Amb1208583 [0,0,0,0,2,0|2,0,0]=4 5056 B10R1.15 NOC(=O)c1ccccc1 Amb22054026 [0,0,0,0,2,0|1,0,0]=3 5057 B10R1.15 O=C(CI)c1ccccc1 Amb23579972 [0,0,0,0,2,0|2,0,0]=4 5058 B10R1.15 O=C(N=O)c1ccccc1 Amb24096802 [0,0,0,0,2,0|2,0,0]=4 5059 B10R1.15 O=C(NCl)c1ccccc1 Amb25277317 [0,0,0,0,2,0|2,0,0]=4 5060 B10R1.15 O=P(O[Na])c1ccccc1 Amb22360738 [0,0,0,0,2,0|2,0,0]=4 5061 B10R1.15 ONC(=O)c1ccccc1 Amb1645521 [0,0,0,0,2,0|2,0,0]=4 5062 B10R1.15 OOC(=O)c1cc[n]cc1 Amb24066209 [0,0,0,0,2,0|2,0,0]=4 5063 B10R1.15 OOC(=O)c1ccc[n]c1 Amb24094187 [0,0,0,0,2,0|2,0,0]=4 5064 B10R1.15 OOC(=O)c1ccccc1 Amb17672281 [0,0,0,0,2,0|1,0,0]=3 5065 B10R1.15 SCC(=O)c1ccccc1 Amb16192503 [0,0,0,0,2,0|2,0,0]=4 5066 B10R1.15 [Li]OS(=O)c1ccccc1 Amb22359261 [0,0,0,0,2,0|2,0,0]=4 5067 B10R1.15 [O-]NC(=O)c1ccccc1 Amb18800075 [0,0,0,0,2,0|2,0,0]=4 5068 B10R1.15 [O-]NC(=O)c1ccccc1 Amb22527267 [0,0,0,0,2,0|2,0,0]=4 5069 B12R1.1343 CC(=O)\C=C\C1C=CC=CC=C1 Amb25179614 [1,0,0,0,0,1|0,0,1]=3 5070 B14R1.716 C=CC(=O)OC\C=C\c1ccccc1 Amb17933977 [0,0,0,0,0,2|1,0,1]=4 5071 B14R1.716 CCC(=O)\C=C\NCc1ccccc1 Amb24627880 [0,0,0,0,0,2|1,0,0]=3 5072 B14R1.716 CNC(=O)N\N=C\Cc1ccccc1 Amb25183663 [0,0,0,0,0,2|1,0,1]=4 5073 B14R1.716 CNC(=O)\C=C\C=C\c1ccccc1 Amb25827575 [0,0,0,0,0,2|1,0,0]=3 5074 B14R1.716 CNC(=O)\C=N\OCc1ccccc1 Amb24506570 [0,0,0,0,0,2|1,0,1]=4 5075 B14R1.716 CNC(=S)\C=C\C=Cc1ccccc1 Amb24521595 [0,0,0,0,0,2|1,1,0]=4 5076 B14R1.716 COC(=O)C=CN=Nc1ccccc1 Amb22486676 [0,0,0,0,0,2|0,0,0]=2 5077 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,0,0,0,0,2|0,0,2]=4 5078 B14R1.716 COC(=O)NCC#Cc1ccccc1 Amb24374036 [0,0,0,0,0,2|0,0,2]=4 5079 B14R1.716 COC(=O)NCCOc1ccccc1 Amb1014011 [0,0,0,0,0,2|0,0,2]=4 5080 B14R1.716 COC(=O)N\C=C/Sc1ccccc1 Amb24523797 [0,0,0,0,0,2|0,0,0]=2 5081 B14R1.716 COC(=O)OCC=Cc1ccccc1 Amb22230406 [0,0,0,0,0,2|0,0,0]=2 5082 B14R1.716 COC(=O)\C=C\C#Cc1ccccc1 Amb20001567 [0,0,0,0,0,2|0,0,0]=2 5083 B14R1.716 NNC(=O)\C=C\C=C\c1ccccc1 Amb24501411 [0,0,0,0,0,2|2,0,0]=4 5084 B14R1.716 O=C(CCl)OCC=Cc1ccccc1 Amb22358971 [0,0,0,0,0,2|2,0,0]=4