0 B11R1.91 C=C(Br)CNc1ccccc1 Amb4303983 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 C=C(C)CCc1ccccc1 Amb28199357 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 C=C(C)CNc1ccccc1 Amb4017508 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 C=C(C)COc1ccccc1 Amb10601706 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 C=C(C)CSc1ccccc1 Amb4013110 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 C=C(C)NCc1ccccc1 Amb27174576 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 C=C(C)OCc1ccccc1 Amb22731238 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 C=C(C)\C=C\c1ccccc1 Amb22546632 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.91 C=C(Cl)CNc1ccccc1 Amb18289308 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 C=C(Cl)CSc1ccccc1 Amb4013517 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 C=C(O)OCc1ccccc1 Amb26478129 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 CC(=O)C#Cc1ccccc1 Amb6336493 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.91 CC(=O)C#Cc1ccccn1 Amb27267519 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.91 CC(=O)C#Cc1cccnc1 Amb26455637 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 CC(=O)C#Cc1ccncc1 Amb27249499 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.91 CC(=O)CCc1ccccc1 Amb4605983 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.91 CC(=O)CCc1ccncc1 Amb33329478 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.91 CC(=O)CNc1ccccn1 Amb26542003 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.91 CC(=O)COc1ccccc1 Amb8515312 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.91 CC(=O)COc1ccccn1 Amb26557634 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.91 CC(=O)CSc1ccccc1 Amb3836103 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.91 CC(=O)CSc1ccccn1 Amb9215975 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.91 CC(=O)CSc1cccnc1 Amb28351579 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.91 CC(=O)NCc1ccccn1 Amb3358089 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.91 CC(=O)NCc1ccccn1 Amb6892496 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.91 CC(=O)NCc1ccncc1 Amb2694533 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.91 CC(=O)NNc1ccccc1 Amb4081010 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.91 CC(=O)OC[n+]1ccccc1 Amb27259021 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.91 CC(=O)OCc1ccccc1 Amb8513061 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.91 CC(=O)OCc1ccccn1 Amb9780355 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.91 CC(=O)OCc1cccnc1 Amb8388631 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.91 CC(=O)O[Hg]c1ccccc1 Amb8385173 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.91 CC(=O)SCc1ccccc1 Amb26888160 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,0,0|1,0,0]=1 41 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,0,0|2,0,0]=2 43 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb32652097 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb33359225 [0,0,0,0,0,0|2,0,0]=2 46 B11R1.91 CC(=O)\C=C\c1ccncn1 Amb33359235 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.91 CC(=O)\C=C\c1cnccn1 Amb35601036 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.91 CC(=O)\C=C\c1cncnc1 Amb32876838 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.91 CC(=O)\C=C\c1ncccn1 Amb26488880 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,0,0,0,0,0|2,1,1]=4 52 B11R1.91 CC(Br)\C=C\c1ccccc1 Amb27401147 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.91 CC(C)=CCc1ccccc1 Amb2720924 [0,0,0,0,0,0|2,0,1]=3 54 B11R1.91 CC(C)=COc1ccccc1 Amb28182600 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.91 CC(C)=CSc1ccccc1 Amb27767952 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.91 CC(C)=NCc1ccccc1 Amb10568469 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.91 CC(C)\C=C\c1ccccc1 Amb33620440 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.91 CC(C)\N=C\c1ccccc1 Amb4020035 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.91 CC(Cl)\C=C\c1cccnc1 Amb27881248 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.91 CC(Cl)\C=C\c1ccncc1 Amb27768545 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [0,0,0,0,0,0|2,0,1]=3 63 B11R1.91 CC(N)\C=C\c1ccccn1 Amb33172666 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.91 CC(N)\C=C\c1cccnc1 Amb33172475 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.91 CC(N)\C=C\c1ccncc1 Amb33359059 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.91 CC(O)C#Cc1ccccc1 Amb534711 [0,0,0,0,0,0|1,0,3]=4 67 B11R1.91 CC(O)CCc1ccccc1 Amb4009672 [0,0,0,0,0,0|1,0,3]=4 68 B11R1.91 CC(O)CNc1ccccc1 Amb6537763 [0,0,0,0,0,0|2,0,2]=4 69 B11R1.91 CC(O)COc1ccccc1 Amb6298844 [0,0,0,0,0,0|2,0,2]=4 70 B11R1.91 CC(O)CPc1ccccc1 Amb27756306 [0,0,0,0,0,0|2,0,2]=4 71 B11R1.91 CC(O)CSc1ccccc1 Amb18793066 [0,0,0,0,0,0|2,0,2]=4 72 B11R1.91 CC(O)\C=C\c1ccccc1 Amb17593695 [0,0,0,0,0,0|1,0,1]=2 73 B11R1.91 CC(O)\C=C\c1ccccn1 Amb576300 [0,0,0,0,0,0|2,0,1]=3 74 B11R1.91 CC(O)\C=C\c1cccnc1 Amb25847379 [0,0,0,0,0,0|2,0,1]=3 75 B11R1.91 CC(O)\C=C\c1ccncc1 Amb616107 [0,0,0,0,0,0|2,0,1]=3 76 B11R1.91 CC(O)\C=C\c1ccncn1 Amb27823443 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.91 CC(O)\C=C\c1cnccn1 Amb35600856 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.91 CN(C)\C=C\c1ccncc1 Amb24355668 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.91 CN(C)\C=N\c1ccccc1 Amb33512937 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.91 CN(C)\N=C\c1ccccc1 Amb33512938 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.91 CN(O)CCc1ccccc1 Amb32953149 [0,0,0,0,0,0|2,0,2]=4 82 B11R1.91 CN(O)\N=N\c1ccccc1 Amb27185830 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.91 CS(=O)\N=C\c1ccccc1 Amb35681663 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.91 CS(=O)\N=C\c1ccccn1 Amb35681655 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.91 CS(=O)\N=C\c1cccnc1 Amb35681658 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.91 CS(=O)\N=C\c1ccncc1 Amb29858755 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb33083236 [0,0,0,0,0,0|2,0,1]=3 88 B11R1.91 C[C@@H](O)C#Cc1ccccc1 Amb27865137 [0,0,0,0,0,0|1,0,3]=4 89 B11R1.91 C[C@@H](O)CCc1ccccc1 Amb22049565 [0,0,0,0,0,0|1,0,3]=4 90 B11R1.91 C[C@@H](O)CNc1ccccc1 Amb27400122 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.91 C[C@@H](O)COc1ccccc1 Amb27776994 [0,0,0,0,0,0|2,0,2]=4 92 B11R1.91 C[C@@H](O)\C=C\c1ccccc1 Amb32954507 [0,0,0,0,0,0|1,0,1]=2 93 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb32954166 [0,0,0,0,0,0|2,0,1]=3 94 B11R1.91 C[C@H](O)C#Cc1ccccc1 Amb27823543 [0,0,0,0,0,0|1,0,3]=4 95 B11R1.91 C[C@H](O)CCc1ccccc1 Amb19929325 [0,0,0,0,0,0|1,0,3]=4 96 B11R1.91 C[C@H](O)\C=C\c1ccccc1 Amb27405101 [0,0,0,0,0,0|1,0,1]=2 97 B11R1.91 C[PH](=O)OCc1ccccc1 Amb8391293 [0,0,0,0,0,0|3,0,1]=4 98 B11R1.91 N=C(/N)SCc1ccccc1 Amb20655654 [0,0,0,0,0,0|3,0,1]=4 99 B11R1.91 N=C(N)CCc1ccccc1 Amb6264312 [0,0,0,0,0,0|2,0,2]=4 100 B11R1.91 N=C(N)CCc1ccccc1 Amb8630659 [0,0,0,0,0,0|2,0,2]=4 101 B11R1.91 N=C(N)COc1ccccc1 Amb2725000 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.91 N=C(N)COc1ccccc1 Amb33551040 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.91 N=C(N)CSc1ccccc1 Amb2726049 [0,0,0,0,0,0|3,0,1]=4 104 B11R1.91 N=C(N)NCc1ccccc1 Amb22370878 [0,0,0,0,0,0|3,0,1]=4 105 B11R1.91 N=C(N)NCc1ccccc1 Amb602728 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.91 N=C(N)NCc1ccccc1 Amb7990388 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.91 N=C(N)OCc1ccccc1 Amb6773970 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.91 N=C(N)SCc1ccccc1 Amb20676044 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.91 N=C(N)SCc1ccccc1 Amb2609643 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.91 N=C(N)SCc1ccccc1 Amb6296081 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.91 N=C(N)\C=C\c1ccccc1 Amb22756994 [0,0,0,0,0,0|2,0,0]=2 112 B11R1.91 N=C(N)\C=C\c1cccnc1 Amb25992761 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.91 N=C([NH3+])SCc1ccccc1 Amb24113839 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.91 NC(=O)C#Cc1ccccc1 Amb2778971 [0,0,0,0,0,0|1,0,2]=3 115 B11R1.91 NC(=O)C#Cc1cccnc1 Amb28046809 [0,0,0,0,0,0|2,0,2]=4 116 B11R1.91 NC(=O)CC[n+]1ccccc1 Amb4010710 [0,0,0,0,0,0|2,0,2]=4 117 B11R1.91 NC(=O)CCc1ccccc1 Amb2708677 [0,0,0,0,0,0|1,0,2]=3 118 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,0,0,0,0,0|2,0,2]=4 119 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,0,0,0,0,0|2,0,2]=4 120 B11R1.91 NC(=O)CNc1ccccc1 Amb503275 [0,0,0,0,0,0|2,0,1]=3 121 B11R1.91 NC(=O)CNc1ccccn1 Amb6658788 [0,0,0,0,0,0|3,0,1]=4 122 B11R1.91 NC(=O)CNc1cccnc1 Amb27482670 [0,0,0,0,0,0|3,0,1]=4 123 B11R1.91 NC(=O)COc1ccccc1 Amb6358162 [0,0,0,0,0,0|2,0,1]=3 124 B11R1.91 NC(=O)COc1ccccn1 Amb27878790 [0,0,0,0,0,0|3,0,1]=4 125 B11R1.91 NC(=O)COc1cccnc1 Amb6739850 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.91 NC(=O)CSc1ccccc1 Amb3686107 [0,0,0,0,0,0|2,0,1]=3 127 B11R1.91 NC(=O)CSc1ccccn1 Amb1292665 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,0,0,0,0,0|2,0,1]=3 129 B11R1.91 NC(=O)NCc1ccccn1 Amb1050832 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.91 NC(=O)NCc1cccnc1 Amb2435041 [0,0,0,0,0,0|3,0,1]=4 131 B11R1.91 NC(=O)NCc1ccncc1 Amb6658828 [0,0,0,0,0,0|3,0,1]=4 132 B11R1.91 NC(=O)NNc1ccccc1 Amb32409481 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.91 NC(=O)NNc1ccccn1 Amb28119875 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.91 NC(=O)NSc1ccccc1 Amb27974234 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.91 NC(=O)OCc1ccccc1 Amb4404204 [0,0,0,0,0,0|2,0,1]=3 136 B11R1.91 NC(=O)OCc1cccnc1 Amb26464124 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.91 NC(=O)SCc1ccccc1 Amb28342215 [0,0,0,0,0,0|2,0,1]=3 138 B11R1.91 NC(=O)SCc1ccccn1 Amb28145815 [0,0,0,0,0,0|3,0,1]=4 139 B11R1.91 NC(=O)\C=C/c1ccccc1 Amb4420621 [0,0,0,0,0,0|1,0,0]=1 140 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb33719420 [0,0,0,0,0,0|1,0,0]=1 142 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb8513084 [0,0,0,0,0,0|1,0,0]=1 143 B11R1.91 NC(=O)\C=C\c1ccccn1 Amb25887084 [0,0,0,0,0,0|2,0,0]=2 144 B11R1.91 NC(=O)\C=C\c1cccnc1 Amb33854872 [0,0,0,0,0,0|2,0,0]=2 145 B11R1.91 NC(=O)\C=C\c1ccncc1 Amb26859260 [0,0,0,0,0,0|2,0,0]=2 146 B11R1.91 NC(=O)\N=C\c1ccccc1 Amb28364091 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.91 NC(=S)CCc1ccccc1 Amb1801109 [0,0,0,0,0,0|1,1,2]=4 148 B11R1.91 NC(=S)COc1ccccc1 Amb1155418 [0,0,0,0,0,0|2,1,1]=4 149 B11R1.91 NC(=S)CSc1ccccc1 Amb6572429 [0,0,0,0,0,0|2,1,1]=4 150 B11R1.91 NC(=S)NCc1ccccc1 Amb1207502 [0,0,0,0,0,0|2,1,1]=4 151 B11R1.91 NC(=S)NCc1ccccc1 Amb32644733 [0,0,0,0,0,0|2,1,1]=4 152 B11R1.91 NC(=S)NNc1ccccc1 Amb3429340 [0,0,0,0,0,0|3,1,0]=4 153 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [0,0,0,0,0,0|1,1,0]=2 154 B11R1.91 NC(=S)\C=C\c1ccccn1 Amb27233532 [0,0,0,0,0,0|2,1,0]=3 155 B11R1.91 NC(=S)\C=C\c1cccnc1 Amb27232946 [0,0,0,0,0,0|2,1,0]=3 156 B11R1.91 NC(=S)\N=N\c1ccccc1 Amb27984870 [0,0,0,0,0,0|3,1,0]=4 157 B11R1.91 NC(=[NH2+])NCc1ccccc1 Amb22730911 [0,0,0,0,0,0|3,0,1]=4 158 B11R1.91 NC(N)=NCc1ccccc1 Amb19374239 [0,0,0,0,0,0|3,0,1]=4 159 B11R1.91 NC(N)=NNc1ccccc1 Amb24726173 [0,0,0,0,0,0|4,0,0]=4 160 B11R1.91 O=C(Cl)CCc1ccccc1 Amb2725506 [0,0,0,0,0,0|1,0,2]=3 161 B11R1.91 O=C(Cl)CCc1ccccn1 Amb2696649 [0,0,0,0,0,0|2,0,2]=4 162 B11R1.91 O=C(Cl)CCc1cccnc1 Amb24077445 [0,0,0,0,0,0|2,0,2]=4 163 B11R1.91 O=C(Cl)COc1ccccc1 Amb844296 [0,0,0,0,0,0|2,0,1]=3 164 B11R1.91 O=C(Cl)CSc1ccccc1 Amb3939230 [0,0,0,0,0,0|2,0,1]=3 165 B11R1.91 O=C(Cl)CSc1ccccn1 Amb19650937 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.91 O=C(Cl)CSc1ccncc1 Amb22396542 [0,0,0,0,0,0|3,0,1]=4 167 B11R1.91 O=C(Cl)CSc1ccncc1 Amb8629347 [0,0,0,0,0,0|3,0,1]=4 168 B11R1.91 O=C(Cl)OCc1ccccc1 Amb6296595 [0,0,0,0,0,0|2,0,1]=3 169 B11R1.91 O=C(Cl)OCc1ccccn1 Amb33297000 [0,0,0,0,0,0|3,0,1]=4 170 B11R1.91 O=C(Cl)OCc1cccnc1 Amb25852784 [0,0,0,0,0,0|3,0,1]=4 171 B11R1.91 O=C(Cl)OCc1cccnc1 Amb33465543 [0,0,0,0,0,0|3,0,1]=4 172 B11R1.91 O=C(Cl)OCc1ccncc1 Amb24559531 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.91 O=C(Cl)\C=C\c1ccccc1 Amb2792900 [0,0,0,0,0,0|1,0,0]=1 174 B11R1.91 O=C(Cl)\C=C\c1cccnc1 Amb6307270 [0,0,0,0,0,0|2,0,0]=2 175 B11R1.91 O=C(F)OCc1ccccc1 Amb27879062 [0,0,0,0,0,0|2,0,1]=3 176 B11R1.91 O=C(O)C#Cc1ccccc1 Amb6364732 [0,0,0,0,0,0|0,0,2]=2 177 B11R1.91 O=C(O)C#Cc1ccccn1 Amb16233314 [0,0,0,0,0,0|1,0,2]=3 178 B11R1.91 O=C(O)C#Cc1cccnc1 Amb20673066 [0,0,0,0,0,0|1,0,2]=3 179 B11R1.91 O=C(O)C#Cc1cccnn1 Amb33169005 [0,0,0,0,0,0|2,0,2]=4 180 B11R1.91 O=C(O)C#Cc1ccncc1 Amb20673077 [0,0,0,0,0,0|1,0,2]=3 181 B11R1.91 O=C(O)C#Cc1ccncn1 Amb26901679 [0,0,0,0,0,0|2,0,2]=4 182 B11R1.91 O=C(O)C#Cc1ccnnc1 Amb25228310 [0,0,0,0,0,0|2,0,2]=4 183 B11R1.91 O=C(O)C#Cc1cnccn1 Amb25315912 [0,0,0,0,0,0|2,0,2]=4 184 B11R1.91 O=C(O)C#Cc1cncnc1 Amb27245801 [0,0,0,0,0,0|2,0,2]=4 185 B11R1.91 O=C(O)C#Cc1ncccn1 Amb33169013 [0,0,0,0,0,0|2,0,2]=4 186 B11R1.91 O=C(O)CC[n+]1ccccc1 Amb31127608 [0,0,0,0,0,0|1,0,2]=3 187 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [0,0,0,0,0,0|0,0,2]=2 188 B11R1.91 O=C(O)CCc1ccccn1 Amb2696647 [0,0,0,0,0,0|1,0,2]=3 189 B11R1.91 O=C(O)CCc1ccccn1 Amb33532884 [0,0,0,0,0,0|1,0,2]=3 190 B11R1.91 O=C(O)CCc1ccccn1 Amb8428105 [0,0,0,0,0,0|1,0,2]=3 191 B11R1.91 O=C(O)CCc1cccnc1 Amb1214870 [0,0,0,0,0,0|1,0,2]=3 192 B11R1.91 O=C(O)CCc1cccnn1 Amb23592184 [0,0,0,0,0,0|2,0,2]=4 193 B11R1.91 O=C(O)CCc1ccncc1 Amb1090849 [0,0,0,0,0,0|1,0,2]=3 194 B11R1.91 O=C(O)CCc1ccncn1 Amb33545203 [0,0,0,0,0,0|2,0,2]=4 195 B11R1.91 O=C(O)CCc1ccnnc1 Amb22499259 [0,0,0,0,0,0|2,0,2]=4 196 B11R1.91 O=C(O)CCc1cnccn1 Amb5846608 [0,0,0,0,0,0|2,0,2]=4 197 B11R1.91 O=C(O)CCc1cncnc1 Amb18201449 [0,0,0,0,0,0|2,0,2]=4 198 B11R1.91 O=C(O)CCc1ncccn1 Amb3997808 [0,0,0,0,0,0|2,0,2]=4 199 B11R1.91 O=C(O)CNc1ccccc1 Amb840513 [0,0,0,0,0,0|1,0,1]=2 200 B11R1.91 O=C(O)CNc1ccccn1 Amb33549202 [0,0,0,0,0,0|2,0,1]=3 201 B11R1.91 O=C(O)CNc1ccccn1 Amb4025757 [0,0,0,0,0,0|2,0,1]=3 202 B11R1.91 O=C(O)CNc1cccnc1 Amb17593781 [0,0,0,0,0,0|2,0,1]=3 203 B11R1.91 O=C(O)CNc1cccnc1 Amb22035240 [0,0,0,0,0,0|2,0,1]=3 204 B11R1.91 O=C(O)CNc1ccncc1 Amb33549238 [0,0,0,0,0,0|2,0,1]=3 205 B11R1.91 O=C(O)CNc1ccncc1 Amb6271127 [0,0,0,0,0,0|2,0,1]=3 206 B11R1.91 O=C(O)CNc1ccncn1 Amb18973871 [0,0,0,0,0,0|3,0,1]=4 207 B11R1.91 O=C(O)CNc1cnccn1 Amb6256346 [0,0,0,0,0,0|3,0,1]=4 208 B11R1.91 O=C(O)CNc1cncnc1 Amb18933571 [0,0,0,0,0,0|3,0,1]=4 209 B11R1.91 O=C(O)CNc1ncccn1 Amb2372087 [0,0,0,0,0,0|3,0,1]=4 210 B11R1.91 O=C(O)COc1ccccc1 Amb1213413 [0,0,0,0,0,0|1,0,1]=2 211 B11R1.91 O=C(O)COc1ccccc1 Amb22274444 [0,0,0,0,0,0|1,0,1]=2 212 B11R1.91 O=C(O)COc1ccccn1 Amb2610077 [0,0,0,0,0,0|2,0,1]=3 213 B11R1.91 O=C(O)COc1ccccn1 Amb34912615 [0,0,0,0,0,0|2,0,1]=3 214 B11R1.91 O=C(O)COc1cccnc1 Amb22738612 [0,0,0,0,0,0|2,0,1]=3 215 B11R1.91 O=C(O)COc1cccnc1 Amb33552775 [0,0,0,0,0,0|2,0,1]=3 216 B11R1.91 O=C(O)COc1cccnc1 Amb836933 [0,0,0,0,0,0|2,0,1]=3 217 B11R1.91 O=C(O)COc1cccnn1 Amb2819556 [0,0,0,0,0,0|3,0,1]=4 218 B11R1.91 O=C(O)COc1ccncc1 Amb18125520 [0,0,0,0,0,0|2,0,1]=3 219 B11R1.91 O=C(O)COc1ccncn1 Amb26495531 [0,0,0,0,0,0|3,0,1]=4 220 B11R1.91 O=C(O)COc1cnccn1 Amb26976070 [0,0,0,0,0,0|3,0,1]=4 221 B11R1.91 O=C(O)COc1cncnc1 Amb8009333 [0,0,0,0,0,0|3,0,1]=4 222 B11R1.91 O=C(O)COc1ncccn1 Amb8010398 [0,0,0,0,0,0|3,0,1]=4 223 B11R1.91 O=C(O)CSc1ccccc1 Amb1038999 [0,0,0,0,0,0|1,0,1]=2 224 B11R1.91 O=C(O)CSc1ccccn1 Amb1130490 [0,0,0,0,0,0|2,0,1]=3 225 B11R1.91 O=C(O)CSc1cccnn1 Amb9174289 [0,0,0,0,0,0|3,0,1]=4 226 B11R1.91 O=C(O)CSc1ccncc1 Amb24053001 [0,0,0,0,0,0|2,0,1]=3 227 B11R1.91 O=C(O)CSc1ccncc1 Amb3940121 [0,0,0,0,0,0|2,0,1]=3 228 B11R1.91 O=C(O)CSc1ccncn1 Amb8089703 [0,0,0,0,0,0|3,0,1]=4 229 B11R1.91 O=C(O)CSc1ccnnc1 Amb24670204 [0,0,0,0,0,0|3,0,1]=4 230 B11R1.91 O=C(O)CSc1cnccn1 Amb6278353 [0,0,0,0,0,0|3,0,1]=4 231 B11R1.91 O=C(O)CSc1ncccn1 Amb1625763 [0,0,0,0,0,0|3,0,1]=4 232 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [0,0,0,0,0,0|0,0,0]=0 233 B11R1.91 O=C(O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,0,0|1,0,0]=1 234 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [0,0,0,0,0,0|1,0,0]=1 235 B11R1.91 O=C(O)\C=C/c1ccncc1 Amb20622011 [0,0,0,0,0,0|1,0,0]=1 236 B11R1.91 O=C(O)\C=C/c1cncnc1 Amb27975406 [0,0,0,0,0,0|2,0,0]=2 237 B11R1.91 O=C(O)\C=C\C1=CCCCC1 Amb24670201 [0,0,0,0,0,0|0,0,4]=4 238 B11R1.91 O=C(O)\C=C\C1=CCCSC1 Amb26944890 [0,0,0,0,0,0|1,0,3]=4 239 B11R1.91 O=C(O)\C=C\C1=COCCC1 Amb27185804 [0,0,0,0,0,0|1,0,3]=4 240 B11R1.91 O=C(O)\C=C\C1C=CCCC1 Amb27481955 [0,0,0,0,0,0|0,0,4]=4 241 B11R1.91 O=C(O)\C=C\C1CC=CCC1 Amb3992530 [0,0,0,0,0,0|0,0,4]=4 242 B11R1.91 O=C(O)\C=C\C1CCC=CO1 Amb25145804 [0,0,0,0,0,0|1,0,3]=4 243 B11R1.91 O=C(O)\C=C\N1C=CC=CC1 Amb22015329 [0,0,0,0,0,0|1,0,1]=2 244 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [0,0,0,0,0,0|0,0,0]=0 245 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [0,0,0,0,0,0|0,0,0]=0 246 B11R1.91 O=C(O)\C=C\c1ccccn1 Amb2690432 [0,0,0,0,0,0|1,0,0]=1 247 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [0,0,0,0,0,0|1,0,0]=1 248 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [0,0,0,0,0,0|1,0,0]=1 249 B11R1.91 O=C(O)\C=C\c1cccnn1 Amb18125070 [0,0,0,0,0,0|2,0,0]=2 250 B11R1.91 O=C(O)\C=C\c1ccncc1 Amb1107607 [0,0,0,0,0,0|1,0,0]=1 251 B11R1.91 O=C(O)\C=C\c1ccncn1 Amb25337419 [0,0,0,0,0,0|2,0,0]=2 252 B11R1.91 O=C(O)\C=C\c1ccnnc1 Amb18125071 [0,0,0,0,0,0|2,0,0]=2 253 B11R1.91 O=C(O)\C=C\c1cnccn1 Amb24082749 [0,0,0,0,0,0|2,0,0]=2 254 B11R1.91 O=C(O)\C=C\c1cncnc1 Amb9780324 [0,0,0,0,0,0|2,0,0]=2 255 B11R1.91 O=C(O)\C=C\c1ncccn1 Amb17593721 [0,0,0,0,0,0|2,0,0]=2 256 B11R1.91 O=C([O-])CCc1ccccn1 Amb32882485 [0,0,0,0,0,0|1,0,3]=4 257 B11R1.91 O=C([O-])CNc1ccccc1 Amb21520409 [0,0,0,0,0,0|1,0,2]=3 258 B11R1.91 O=C([O-])CNc1ccccc1 Amb33512953 [0,0,0,0,0,0|1,0,2]=3 259 B11R1.91 O=C([O-])COc1ccccc1 Amb6366707 [0,0,0,0,0,0|1,0,2]=3 260 B11R1.91 O=C([O-])COc1ccccn1 Amb30584712 [0,0,0,0,0,0|2,0,2]=4 261 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb33513073 [0,0,0,0,0,0|0,0,1]=1 262 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb6383246 [0,0,0,0,0,0|0,0,1]=1 263 B11R1.91 O=C([O-])\C=C\c1cccnc1 Amb33512942 [0,0,0,0,0,0|1,0,1]=2 264 B11R1.91 O=C([O-])\N=N\c1ccccc1 Amb26350249 [0,0,0,0,0,0|2,0,1]=3 265 B11R1.91 O=S(O)CCc1ccccc1 Amb27860522 [0,0,0,0,0,0|1,0,2]=3 266 B11R1.91 O=S(O)\C=C\c1ccccc1 Amb32753683 [0,0,0,0,0,0|1,0,0]=1 267 B11R1.91 O=S([O-])CCc1ccccc1 Amb26600239 [0,0,0,0,0,0|1,0,3]=4 268 B11R1.91 O=S([O-])NCc1ccccc1 Amb22641608 [0,0,0,0,0,0|2,0,2]=4 269 B11R1.91 O=S([O-])\C=C\c1ccccc1 Amb26016414 [0,0,0,0,0,0|1,0,1]=2 270 B11R1.91 O=[N+]([O-])CCc1ccccc1 Amb16192705 [0,0,0,0,0,0|1,0,3]=4 271 B11R1.91 O=[N+]([O-])NCc1ccccc1 Amb26560440 [0,0,0,0,0,0|2,0,2]=4 272 B11R1.91 O=[N+]([O-])NNc1ccccc1 Amb21953657 [0,0,0,0,0,0|3,0,1]=4 273 B11R1.91 O=[N+]([O-])O[Hg]c1ccccc1 Amb22732287 [0,0,0,0,0,0|3,0,1]=4 274 B11R1.91 O=[N+]([O-])\C=C/c1ccccc1 Amb4066298 [0,0,0,0,0,0|1,0,1]=2 275 B11R1.91 O=[N+]([O-])\C=C/c1ccncc1 Amb1054083 [0,0,0,0,0,0|2,0,1]=3 276 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb33719275 [0,0,0,0,0,0|1,0,1]=2 277 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb8396046 [0,0,0,0,0,0|1,0,1]=2 278 B11R1.91 O=[N+]([O-])\C=C\c1ccccn1 Amb19373998 [0,0,0,0,0,0|2,0,1]=3 279 B11R1.91 O=[N+]([O-])\C=C\c1ccccn1 Amb24106744 [0,0,0,0,0,0|2,0,1]=3 280 B11R1.91 O=[N+]([O-])\C=C\c1cccnc1 Amb19515469 [0,0,0,0,0,0|2,0,1]=3 281 B11R1.91 O=[N+]([O-])\C=C\c1cccnc1 Amb33512945 [0,0,0,0,0,0|2,0,1]=3 282 B11R1.91 O=[N+]([O-])\C=C\c1ccncc1 Amb19374504 [0,0,0,0,0,0|2,0,1]=3 283 B11R1.91 O=[N+]([O-])\C=C\c1ccncc1 Amb24096963 [0,0,0,0,0,0|2,0,1]=3 284 B11R1.91 O=[N+]([O-])\C=C\c1ccncn1 Amb33171845 [0,0,0,0,0,0|3,0,1]=4 285 B11R1.91 O=[N+]([O-])\C=C\c1ccnnc1 Amb27193386 [0,0,0,0,0,0|3,0,1]=4 286 B11R1.91 O=[N+]([O-])\C=C\c1cnccn1 Amb26880363 [0,0,0,0,0,0|3,0,1]=4 287 B11R1.91 O=[N+]([O-])\C=C\c1cncnc1 Amb33481049 [0,0,0,0,0,0|3,0,1]=4 288 B11R1.91 O=[N+]([O-])\C=C\c1ncccn1 Amb27968261 [0,0,0,0,0,0|3,0,1]=4 289 B11R1.91 O=[PH](O)CCc1ccccc1 Amb27210683 [0,0,0,0,0,0|1,0,2]=3 290 B11R1.91 OB(O)C#Cc1ccccc1 Amb25151882 [0,0,0,0,0,0|1,0,3]=4 291 B11R1.91 OB(O)CCc1ccccc1 Amb2456045 [0,0,0,0,0,0|1,0,3]=4 292 B11R1.91 OB(O)CSc1ccccc1 Amb27450702 [0,0,0,0,0,0|2,0,2]=4 293 B11R1.91 OB(O)O[Hg]c1ccccc1 Amb22345921 [0,0,0,0,0,0|3,0,1]=4 294 B11R1.91 OB(O)\C=C\c1ccccc1 Amb2447227 [0,0,0,0,0,0|1,0,1]=2 295 B11R1.91 OB(O)\C=C\c1ccncc1 Amb26436877 [0,0,0,0,0,0|2,0,1]=3 296 B11R1.91 OB(O)\C=C\c1cncnc1 Amb28046596 [0,0,0,0,0,0|3,0,1]=4 297 B11R1.91 OC(Cl)CNc1ccccc1 Amb28291556 [0,0,0,0,0,0|2,0,2]=4 298 B11R1.91 S=C(Cl)NCc1ccccc1 Amb28436734 [0,0,0,0,0,0|2,1,1]=4 299 B11R1.91 S=C(S)NCc1ccccc1 Amb26372903 [0,0,0,0,0,0|1,2,1]=4 300 B11R1.91 S=C([S-])NCc1ccccc1 Amb33249792 [0,0,0,0,0,0|1,2,1]=4 301 B10R1.17 BrC\C=C\c1ccccc1 Amb8513086 [1,0,0,0,0,0|1,0,1]=3 302 B10R1.17 BrC\C=C\c1ccccn1 Amb28365946 [1,0,0,0,0,0|2,0,1]=4 303 B10R1.17 Br\C=C\Cc1ccccc1 Amb33134791 [1,0,0,0,0,0|1,0,1]=3 304 B10R1.17 Br\C=C\Oc1ccccc1 Amb28145099 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.17 Br\C=C\Sc1ccccc1 Amb26993510 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.17 C#C\C=C/c1cccnc1 Amb24085625 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.17 C#C\C=C\c1ccccc1 Amb33082101 [1,0,0,0,0,0|1,0,1]=3 308 B10R1.17 C=C=COc1ccccc1 Amb17673264 [1,0,0,0,0,0|2,0,1]=4 309 B10R1.17 C=CC#Cc1ccccc1 Amb25696607 [1,0,0,0,0,0|1,0,2]=4 310 B10R1.17 C=CCCc1ccccc1 Amb2721241 [1,0,0,0,0,0|1,0,2]=4 311 B10R1.17 C=CCNc1ccccc1 Amb2720315 [1,0,0,0,0,0|2,0,1]=4 312 B10R1.17 C=CCOc1ccccc1 Amb2842273 [1,0,0,0,0,0|2,0,1]=4 313 B10R1.17 C=CCSc1ccccc1 Amb3836099 [1,0,0,0,0,0|2,0,1]=4 314 B10R1.17 C=COCc1ccccc1 Amb17940722 [1,0,0,0,0,0|2,0,1]=4 315 B10R1.17 C=C\C=C\c1ccccc1 Amb17938988 [1,0,0,0,0,0|1,0,0]=2 316 B10R1.17 C=C\C=C\c1cccnc1 Amb27976078 [1,0,0,0,0,0|2,0,0]=3 317 B10R1.17 CC=C=Cc1ccccc1 Amb27435633 [1,0,0,0,0,0|1,0,1]=3 318 B10R1.17 CC\C=C/c1cccnc1 Amb24602371 [1,0,0,0,0,0|2,0,1]=4 319 B10R1.17 CC\C=C\c1ccccc1 Amb17673826 [1,0,0,0,0,0|1,0,1]=3 320 B10R1.17 CC\C=C\c1cccnc1 Amb28076152 [1,0,0,0,0,0|2,0,1]=4 321 B10R1.17 CC\N=C\c1ccccc1 Amb10558476 [1,0,0,0,0,0|2,0,1]=4 322 B10R1.17 CN=C=Cc1ccccc1 Amb27423885 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.17 CN\N=C\c1ccccc1 Amb17867553 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.17 CO\C=C/c1ccncc1 Amb24103279 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [1,0,0,0,0,0|2,0,0]=3 326 B10R1.17 CO\C=N\c1ccccc1 Amb6297410 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.17 CS\C=C\c1ccccc1 Amb27654244 [1,0,0,0,0,0|2,0,0]=3 328 B10R1.17 C\C=C/Cc1cccnc1 Amb27470932 [1,0,0,0,0,0|2,0,1]=4 329 B10R1.17 C\C=C\Cc1ccccc1 Amb4035140 [1,0,0,0,0,0|1,0,1]=3 330 B10R1.17 C\C=C\Sc1ccccc1 Amb24665698 [1,0,0,0,0,0|2,0,0]=3 331 B10R1.17 C\C=N\Nc1ccccc1 Amb27788878 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.17 ClC\C=C\c1ccccc1 Amb6608898 [1,0,0,0,0,0|1,0,1]=3 333 B10R1.17 ClC\C=C\c1cccnc1 Amb26369517 [1,0,0,0,0,0|2,0,1]=4 334 B10R1.17 ClC\C=C\c1ccncc1 Amb27392424 [1,0,0,0,0,0|2,0,1]=4 335 B10R1.17 Cl\C=C/Oc1ccccc1 Amb27865618 [1,0,0,0,0,0|2,0,0]=3 336 B10R1.17 Cl\C=C\C[n+]1ccccc1 Amb2613089 [1,0,0,0,0,0|2,0,1]=4 337 B10R1.17 FC\C=C\c1ccccc1 Amb27449580 [1,0,0,0,0,0|1,0,1]=3 338 B10R1.17 N#C\C=C/c1cccnc1 Amb27453523 [1,0,0,0,0,0|2,0,1]=4 339 B10R1.17 N#C\C=C\c1ccccc1 Amb1678044 [1,0,0,0,0,0|1,0,1]=3 340 B10R1.17 N#C\C=C\c1ccccn1 Amb32658017 [1,0,0,0,0,0|2,0,1]=4 341 B10R1.17 N#C\C=C\c1cccnc1 Amb17477822 [1,0,0,0,0,0|2,0,1]=4 342 B10R1.17 N#C\C=C\c1ccncc1 Amb17477821 [1,0,0,0,0,0|2,0,1]=4 343 B10R1.17 N=CC#Cc1ccccc1 Amb27848552 [1,0,0,0,0,0|1,0,2]=4 344 B10R1.17 NC\C=C/c1ccccc1 Amb24746209 [1,0,0,0,0,0|1,0,1]=3 345 B10R1.17 NC\C=C/c1ccccc1 Amb6383106 [1,0,0,0,0,0|1,0,1]=3 346 B10R1.17 NC\C=C\c1ccccc1 Amb16187112 [1,0,0,0,0,0|1,0,1]=3 347 B10R1.17 NC\C=C\c1ccccc1 Amb4019220 [1,0,0,0,0,0|1,0,1]=3 348 B10R1.17 NC\C=C\c1ccccn1 Amb18063261 [1,0,0,0,0,0|2,0,1]=4 349 B10R1.17 NC\C=C\c1cccnc1 Amb18063302 [1,0,0,0,0,0|2,0,1]=4 350 B10R1.17 NC\C=C\c1cccnc1 Amb31148908 [1,0,0,0,0,0|2,0,1]=4 351 B10R1.17 NC\C=C\c1ccncc1 Amb18062333 [1,0,0,0,0,0|2,0,1]=4 352 B10R1.17 N\N=C\Nc1ccccc1 Amb27770569 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.17 O=C=C\C=C1/C=CC=CN1 Amb27779702 [1,0,0,0,0,0|1,0,1]=3 354 B10R1.17 O=C=NCc1ccccc1 Amb3939117 [1,0,0,0,0,0|1,0,2]=4 355 B10R1.17 O=CC#Cc1ccccc1 Amb3778943 [1,0,0,0,0,0|0,0,2]=3 356 B10R1.17 O=CC#Cc1cccnc1 Amb25950612 [1,0,0,0,0,0|1,0,2]=4 357 B10R1.17 O=CCCc1ccccc1 Amb2720576 [1,0,0,0,0,0|0,0,2]=3 358 B10R1.17 O=CCCc1ccccn1 Amb17081674 [1,0,0,0,0,0|1,0,2]=4 359 B10R1.17 O=CCCc1cccnc1 Amb17081675 [1,0,0,0,0,0|1,0,2]=4 360 B10R1.17 O=CCCc1ccncc1 Amb8388451 [1,0,0,0,0,0|1,0,2]=4 361 B10R1.17 O=CCOc1ccccc1 Amb3465095 [1,0,0,0,0,0|1,0,1]=3 362 B10R1.17 O=CCOc1ccccn1 Amb27823582 [1,0,0,0,0,0|2,0,1]=4 363 B10R1.17 O=CCSc1ccccc1 Amb17082903 [1,0,0,0,0,0|1,0,1]=3 364 B10R1.17 O=CNCc1ccccc1 Amb1916036 [1,0,0,0,0,0|1,0,1]=3 365 B10R1.17 O=CNCc1ccccn1 Amb22370826 [1,0,0,0,0,0|2,0,1]=4 366 B10R1.17 O=CNCc1cccnc1 Amb2694543 [1,0,0,0,0,0|2,0,1]=4 367 B10R1.17 O=CNNc1ccccc1 Amb2721099 [1,0,0,0,0,0|2,0,0]=3 368 B10R1.17 O=CNNc1ccncc1 Amb26560692 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.17 O=COCc1ccccc1 Amb4605893 [1,0,0,0,0,0|1,0,1]=3 370 B10R1.17 O=C[CH]Cc1ccccc1 Amb34916523 [1,0,0,0,0,0|0,0,2]=3 371 B10R1.17 O=C\C=C/c1ccccc1 Amb20246989 [1,0,0,0,0,0|0,0,0]=1 372 B10R1.17 O=C\C=C\c1ccccc1 Amb2792758 [1,0,0,0,0,0|0,0,0]=1 373 B10R1.17 O=C\C=C\c1ccccn1 Amb17334135 [1,0,0,0,0,0|1,0,0]=2 374 B10R1.17 O=C\C=C\c1cccnc1 Amb17334136 [1,0,0,0,0,0|1,0,0]=2 375 B10R1.17 O=C\C=C\c1cccnn1 Amb18642956 [1,0,0,0,0,0|2,0,0]=3 376 B10R1.17 O=C\C=C\c1ccncc1 Amb33249631 [1,0,0,0,0,0|1,0,0]=2 377 B10R1.17 O=C\C=C\c1ccncn1 Amb18642951 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.17 O=C\C=C\c1cnccn1 Amb35600870 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.17 O=C\C=C\c1cncnc1 Amb25130263 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.17 O=C\C=C\c1ncccn1 Amb33270347 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.17 OCC#Cc1ccccc1 Amb534712 [1,0,0,0,0,0|0,0,3]=4 382 B10R1.17 OCCCc1ccccc1 Amb3939054 [1,0,0,0,0,0|0,0,3]=4 383 B10R1.17 OCCNc1ccccc1 Amb3940335 [1,0,0,0,0,0|1,0,2]=4 384 B10R1.17 OCCOc1ccccc1 Amb2209344 [1,0,0,0,0,0|1,0,2]=4 385 B10R1.17 OCOCc1ccccc1 Amb25727798 [1,0,0,0,0,0|1,0,2]=4 386 B10R1.17 OCSCc1ccccc1 Amb27839241 [1,0,0,0,0,0|1,0,2]=4 387 B10R1.17 OC\C=C/c1ccccn1 Amb26391968 [1,0,0,0,0,0|1,0,1]=3 388 B10R1.17 OC\C=C/c1ccncc1 Amb27617653 [1,0,0,0,0,0|1,0,1]=3 389 B10R1.17 OC\C=C\c1ccccc1 Amb7809230 [1,0,0,0,0,0|0,0,1]=2 390 B10R1.17 OC\C=C\c1ccccn1 Amb22749315 [1,0,0,0,0,0|1,0,1]=3 391 B10R1.17 OC\C=C\c1cccnc1 Amb17619713 [1,0,0,0,0,0|1,0,1]=3 392 B10R1.17 OC\C=C\c1ccncc1 Amb22749186 [1,0,0,0,0,0|1,0,1]=3 393 B10R1.17 OC\C=C\c1ccncn1 Amb27775610 [1,0,0,0,0,0|2,0,1]=4 394 B10R1.17 OC\C=C\c1cnccn1 Amb33429679 [1,0,0,0,0,0|2,0,1]=4 395 B10R1.17 OC\C=C\c1cncnc1 Amb27491218 [1,0,0,0,0,0|2,0,1]=4 396 B10R1.17 OC\C=C\c1ncccn1 Amb33270341 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.17 ONCCc1ccccc1 Amb33544180 [1,0,0,0,0,0|1,0,2]=4 398 B10R1.17 O\N=C\Cc1ccccc1 Amb31275669 [1,0,0,0,0,0|1,0,1]=3 399 B10R1.17 O\N=C\Cc1ccccn1 Amb27767920 [1,0,0,0,0,0|2,0,1]=4 400 B10R1.17 O\N=C\Cc1ccncc1 Amb28186073 [1,0,0,0,0,0|2,0,1]=4 401 B10R1.17 O\N=C\Nc1ccccc1 Amb27449667 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.17 SC\C=C\c1ccccc1 Amb6255720 [1,0,0,0,0,0|0,1,1]=3 403 B12R1.21 CC(=O)CCc1ccc(Br)cc1 Amb5740059 [0,1,0,0,0,0|1,0,2]=4 404 B12R1.21 CC(=O)CCc1ccc(C)cc1 Amb5740050 [0,1,0,0,0,0|1,0,2]=4 405 B12R1.21 CC(=O)CCc1ccc(Cl)cc1 Amb5740058 [0,1,0,0,0,0|1,0,2]=4 406 B12R1.21 CC(=O)CCc1ccc(F)cc1 Amb5740057 [0,1,0,0,0,0|1,0,2]=4 407 B12R1.21 CC(=O)CCc1ccc(I)cc1 Amb26325783 [0,1,0,0,0,0|1,0,2]=4 408 B12R1.21 CC(=O)CCc1ccc(N)cc1 Amb27637738 [0,1,0,0,0,0|1,0,2]=4 409 B12R1.21 CC(=O)CCc1ccc(O)cc1 Amb533055 [0,1,0,0,0,0|1,0,2]=4 410 B12R1.21 CC(=O)COc1ccc(Cl)cc1 Amb1094739 [0,1,0,0,0,0|2,0,1]=4 411 B12R1.21 CC(=O)COc1ccc(F)cc1 Amb9269853 [0,1,0,0,0,0|2,0,1]=4 412 B12R1.21 CC(=O)COc1ccc(I)cc1 Amb26363908 [0,1,0,0,0,0|2,0,1]=4 413 B12R1.21 CC(=O)COc1ccc(N)cc1 Amb17110083 [0,1,0,0,0,0|2,0,1]=4 414 B12R1.21 CC(=O)CSc1ccc(Br)cc1 Amb2608948 [0,1,0,0,0,0|2,0,1]=4 415 B12R1.21 CC(=O)CSc1ccc(C)cc1 Amb2725052 [0,1,0,0,0,0|2,0,1]=4 416 B12R1.21 CC(=O)CSc1ccc(Cl)cc1 Amb2686419 [0,1,0,0,0,0|2,0,1]=4 417 B12R1.21 CC(=O)CSc1ccc(F)cc1 Amb3429089 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.21 CC(=O)CSc1ccc(N)cc1 Amb28255271 [0,1,0,0,0,0|2,0,1]=4 419 B12R1.21 CC(=O)NCc1ccc(Br)cc1 Amb20622638 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.21 CC(=O)NCc1ccc(C)cc1 Amb3358096 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.21 CC(=O)NCc1ccc(Cl)cc1 Amb3094821 [0,1,0,0,0,0|2,0,1]=4 422 B12R1.21 CC(=O)NCc1ccc(F)cc1 Amb8020832 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.21 CC(=O)NCc1ccc(N)cc1 Amb4017045 [0,1,0,0,0,0|2,0,1]=4 424 B12R1.21 CC(=O)NCc1ccc(O)cc1 Amb10549495 [0,1,0,0,0,0|2,0,1]=4 425 B12R1.21 CC(=O)NNc1ccc(Br)cc1 Amb1040272 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.21 CC(=O)NNc1ccc(F)cc1 Amb4362485 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.21 CC(=O)NNc1ccc(I)cc1 Amb4362486 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 Amb2421366 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.21 CC(=O)ON=C1C=CC(=O)C=C1 Amb27175819 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.21 CC(=O)SCc1ccc(Br)cc1 Amb22338619 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.21 CC(=O)SCc1ccc(O)cc1 Amb27256344 [0,1,0,0,0,0|2,0,1]=4 432 B12R1.21 CC(=O)\C=C\c1cc[n+](C)cc1 Amb4248214 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.21 CC(=O)\C=C\c1ccc(Br)cc1 Amb534305 [0,1,0,0,0,0|1,0,0]=2 434 B12R1.21 CC(=O)\C=C\c1ccc(Br)cn1 Amb27803623 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.21 CC(=O)\C=C\c1ccc(Br)nc1 Amb33388886 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.21 CC(=O)\C=C\c1ccc(C)cc1 Amb4421820 [0,1,0,0,0,0|1,0,0]=2 437 B12R1.21 CC(=O)\C=C\c1ccc(C)cn1 Amb24527877 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.21 CC(=O)\C=C\c1ccc(C)nc1 Amb27487978 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.21 CC(=O)\C=C\c1ccc(Cl)cc1 Amb33870385 [0,1,0,0,0,0|1,0,0]=2 440 B12R1.21 CC(=O)\C=C\c1ccc(Cl)cn1 Amb33223976 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.21 CC(=O)\C=C\c1ccc(Cl)nc1 Amb33261607 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.21 CC(=O)\C=C\c1ccc(F)cc1 Amb3428861 [0,1,0,0,0,0|1,0,0]=2 443 B12R1.21 CC(=O)\C=C\c1ccc(F)cn1 Amb33317373 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.21 CC(=O)\C=C\c1ccc(F)nc1 Amb33425140 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.21 CC(=O)\C=C\c1ccc(N)cc1 Amb23247750 [0,1,0,0,0,0|1,0,0]=2 446 B12R1.21 CC(=O)\C=C\c1ccc(O)cc1 Amb6357952 [0,1,0,0,0,0|1,0,0]=2 447 B12R1.21 CC(=O)\C=C\c1cnc(C)cn1 Amb33376977 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.21 CC(=O)\C=C\c1ncc(Br)cn1 Amb33335104 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.21 CC(=O)\C=C\c1ncc(F)cn1 Amb26075862 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.21 CC(=O)\N=C/c1ccc(Cl)cc1 Amb24073008 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.21 CC(Br)\C=C\c1ccc(Br)cc1 Amb27416893 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.21 CC(Br)\C=C\c1ccc(I)cc1 Amb27659558 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.21 CC(C)\C=C\c1ccc(O)cc1 Amb18645701 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.21 CC(N)\C=C\c1ccc(Br)cc1 Amb33450910 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.21 CC(N)\C=C\c1ccc(Cl)cc1 Amb27759797 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.21 CC(N)\C=C\c1ccc(F)cc1 Amb27663585 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.21 CC(N)\C=C\c1ccc(I)cc1 Amb28146161 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.21 CC(N)\C=C\c1ccc(O)cc1 Amb33361052 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.21 CC(O)\C=C\c1ccc(Br)cc1 Amb26842748 [0,1,0,0,0,0|1,0,1]=3 460 B12R1.21 CC(O)\C=C\c1ccc(Cl)cc1 Amb26363210 [0,1,0,0,0,0|1,0,1]=3 461 B12R1.21 CC(O)\C=C\c1ccc(F)cc1 Amb26392384 [0,1,0,0,0,0|1,0,1]=3 462 B12R1.21 CC(O)\C=C\c1ccc(N)cc1 Amb35622609 [0,1,0,0,0,0|1,0,1]=3 463 B12R1.21 CN(C)\C=C\c1ccc(Cl)cc1 Amb27616221 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.21 CN1C=CC(=NCC(=O)O)C=C1 Amb28434721 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.21 CS(=O)\C=C/c1ccc(Cl)cc1 Amb24309137 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.21 CS(=O)\N=C\c1ccc(Br)cc1 Amb35681670 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.21 CS(=O)\N=C\c1ccc(Cl)cc1 Amb35681671 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.21 CS(=O)\N=C\c1ccc(F)cc1 Amb35681675 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.21 CS(=O)\N=C\c1ccc(I)cc1 Amb35692841 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.21 CS(=O)\N=C\c1ccc(O)cc1 Amb35681664 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.21 C[C@@H](N)\C=C\c1ccc(Cl)cc1 Amb27880882 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.21 C[C@@H](N)\C=C\c1ccc(F)cc1 Amb33326717 [0,1,0,0,0,0|2,0,1]=4 473 B12R1.21 C[C@@H](O)\C=C\c1ccc(F)cc1 Amb33474738 [0,1,0,0,0,0|1,0,1]=3 474 B12R1.21 C[C@H](N)\C=C\c1ccc(F)cc1 Amb33326714 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.21 C[C@H](O)\C=C\c1ccc(Br)cc1 Amb27495626 [0,1,0,0,0,0|1,0,1]=3 476 B12R1.21 C[C@H](O)\C=C\c1ccc(F)cc1 Amb33080147 [0,1,0,0,0,0|1,0,1]=3 477 B12R1.21 Cc1cc[n+](CCC(=O)O)cc1 Amb17098177 [0,1,0,0,0,0|1,0,2]=4 478 B12R1.21 Cc1cc[n+](CCC(=O)O)cc1 Amb31127612 [0,1,0,0,0,0|1,0,2]=4 479 B12R1.21 Cc1ccc(C#CC(=O)O)cc1 Amb17138496 [0,1,0,0,0,0|0,0,2]=3 480 B12R1.21 Cc1ccc(C#CC(=O)O)cn1 Amb2224468 [0,1,0,0,0,0|1,0,2]=4 481 B12R1.21 Cc1ccc(C#CC(=O)O)nc1 Amb33169057 [0,1,0,0,0,0|1,0,2]=4 482 B12R1.21 Cc1ccc(CCC(=O)Cl)cc1 Amb17142993 [0,1,0,0,0,0|1,0,2]=4 483 B12R1.21 Cc1ccc(CCC(=O)O)cc1 Amb1225383 [0,1,0,0,0,0|0,0,2]=3 484 B12R1.21 Cc1ccc(CCC(=O)O)cn1 Amb18828437 [0,1,0,0,0,0|1,0,2]=4 485 B12R1.21 Cc1ccc(CCC(=O)O)nc1 Amb22886574 [0,1,0,0,0,0|1,0,2]=4 486 B12R1.21 Cc1ccc(CCC(N)=O)cc1 Amb8998651 [0,1,0,0,0,0|1,0,2]=4 487 B12R1.21 Cc1ccc(CNC(=O)Cl)cc1 Amb35637117 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.21 Cc1ccc(CNC(N)=O)cc1 Amb1134976 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.21 Cc1ccc(COC(=O)Cl)cc1 Amb27816885 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.21 Cc1ccc(NCC(=O)Cl)cc1 Amb27425242 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.21 Cc1ccc(NCC(=O)O)cc1 Amb1106469 [0,1,0,0,0,0|1,0,1]=3 492 B12R1.21 Cc1ccc(NCC(N)=O)cc1 Amb845278 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.21 Cc1ccc(NNC(N)=O)cc1 Amb24585130 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.21 Cc1ccc(OCC(=O)Cl)cc1 Amb10880011 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.21 Cc1ccc(OCC(=O)O)cc1 Amb6336447 [0,1,0,0,0,0|1,0,1]=3 496 B12R1.21 Cc1ccc(OCC(=O)O)cn1 Amb18991754 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.21 Cc1ccc(OCC(=O)O)nc1 Amb24359369 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.21 Cc1ccc(OCC(N)=O)cc1 Amb6346004 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.21 Cc1ccc(SCC(=O)O)cc1 Amb1197696 [0,1,0,0,0,0|1,0,1]=3 500 B12R1.21 Cc1ccc(SCC(=O)O)nc1 Amb6260300 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.21 Cc1ccc(SCC(N)=O)cc1 Amb3836116 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.21 Cc1ccc(\C=C/C(=O)O)cc1 Amb27474899 [0,1,0,0,0,0|0,0,0]=1 503 B12R1.21 Cc1ccc(\C=C/C(N)=O)cc1 Amb27974609 [0,1,0,0,0,0|1,0,0]=2 504 B12R1.21 Cc1ccc(\C=C/[N+](=O)[O-])cc1 Amb2714244 [0,1,0,0,0,0|1,0,1]=3 505 B12R1.21 Cc1ccc(\C=C\B(O)O)cc1 Amb20671353 [0,1,0,0,0,0|1,0,1]=3 506 B12R1.21 Cc1ccc(\C=C\B(O)O)cn1 Amb24428846 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.21 Cc1ccc(\C=C\B(O)O)nc1 Amb27805081 [0,1,0,0,0,0|2,0,1]=4 508 B12R1.21 Cc1ccc(\C=C\C(=O)Cl)cc1 Amb16230247 [0,1,0,0,0,0|1,0,0]=2 509 B12R1.21 Cc1ccc(\C=C\C(=O)O)cc1 Amb8513247 [0,1,0,0,0,0|0,0,0]=1 510 B12R1.21 Cc1ccc(\C=C\C(=O)O)cn1 Amb18645813 [0,1,0,0,0,0|1,0,0]=2 511 B12R1.21 Cc1ccc(\C=C\C(=O)O)cn1 Amb28555739 [0,1,0,0,0,0|1,0,0]=2 512 B12R1.21 Cc1ccc(\C=C\C(=O)O)nc1 Amb30584979 [0,1,0,0,0,0|1,0,0]=2 513 B12R1.21 Cc1ccc(\C=C\C(=O)O)nn1 Amb33470102 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.21 Cc1ccc(\C=C\C(C)Br)cc1 Amb27854032 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.21 Cc1ccc(\C=C\C(C)Cl)cc1 Amb27260599 [0,1,0,0,0,0|2,0,1]=4 516 B12R1.21 Cc1ccc(\C=C\C(C)N)cc1 Amb33359227 [0,1,0,0,0,0|2,0,1]=4 517 B12R1.21 Cc1ccc(\C=C\C(C)O)cc1 Amb24707156 [0,1,0,0,0,0|1,0,1]=3 518 B12R1.21 Cc1ccc(\C=C\C(N)=S)cc1 Amb18106294 [0,1,0,0,0,0|1,1,0]=3 519 B12R1.21 Cc1ccc(\C=C\S(=O)[O-])cc1 Amb32753899 [0,1,0,0,0,0|1,0,1]=3 520 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])cc1 Amb2689571 [0,1,0,0,0,0|1,0,1]=3 521 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])cn1 Amb34916434 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])nc1 Amb25915197 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.21 Cc1ccc(\C=N\C(=N)N)cc1 Amb26904633 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.21 Cc1ccc(\C=N\C(N)=O)cc1 Amb28385505 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.21 Cc1ccc(\C=N\S(C)=O)cc1 Amb29858778 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.21 Cc1cnc(\C=C\C(=O)O)cn1 Amb33223719 [0,1,0,0,0,0|2,0,0]=3 527 B12R1.21 Cc1ncc(\C=C\C(=O)O)cn1 Amb12805675 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.21 N=C(N)\C=C\c1ccc(F)cc1 Amb24567885 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.21 NC(=O)C#Cc1ccc(Br)cc1 Amb24116419 [0,1,0,0,0,0|1,0,2]=4 530 B12R1.21 NC(=O)C#Cc1ccc(Cl)cc1 Amb23401544 [0,1,0,0,0,0|1,0,2]=4 531 B12R1.21 NC(=O)C#Cc1ccc(O)cc1 Amb27469684 [0,1,0,0,0,0|1,0,2]=4 532 B12R1.21 NC(=O)CCc1ccc(Br)cc1 Amb17407065 [0,1,0,0,0,0|1,0,2]=4 533 B12R1.21 NC(=O)CCc1ccc(Cl)cc1 Amb17142998 [0,1,0,0,0,0|1,0,2]=4 534 B12R1.21 NC(=O)CCc1ccc(F)cc1 Amb33545740 [0,1,0,0,0,0|1,0,2]=4 535 B12R1.21 NC(=O)CCc1ccc(N)cc1 Amb8941624 [0,1,0,0,0,0|1,0,2]=4 536 B12R1.21 NC(=O)CCc1ccc(O)cc1 Amb3939533 [0,1,0,0,0,0|1,0,2]=4 537 B12R1.21 NC(=O)CNc1ccc(Br)cc1 Amb6712185 [0,1,0,0,0,0|2,0,1]=4 538 B12R1.21 NC(=O)CNc1ccc(Cl)cc1 Amb6711941 [0,1,0,0,0,0|2,0,1]=4 539 B12R1.21 NC(=O)CNc1ccc(F)cc1 Amb6712287 [0,1,0,0,0,0|2,0,1]=4 540 B12R1.21 NC(=O)CNc1ccc(I)cc1 Amb7758090 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.21 NC(=O)CNc1ccc(O)cc1 Amb27814221 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.21 NC(=O)COc1ccc(Br)cc1 Amb6275646 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.21 NC(=O)COc1ccc(Cl)cc1 Amb2772617 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.21 NC(=O)COc1ccc(F)cc1 Amb2456996 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.21 NC(=O)COc1ccc(I)cc1 Amb173371 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.21 NC(=O)COc1ccc(N)cc1 Amb33536515 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.21 NC(=O)COc1ccc(O)cc1 Amb8837230 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.21 NC(=O)CSc1ccc(Br)cc1 Amb1218433 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.21 NC(=O)CSc1ccc(Cl)cc1 Amb1530887 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.21 NC(=O)CSc1ccc(F)cc1 Amb1646201 [0,1,0,0,0,0|2,0,1]=4 551 B12R1.21 NC(=O)CSc1ccc(N)cc1 Amb8930380 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.21 NC(=O)NCc1ccc(Br)cc1 Amb1139295 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.21 NC(=O)NCc1ccc(Cl)cc1 Amb2435054 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.21 NC(=O)NCc1ccc(F)cc1 Amb1128118 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.21 NC(=O)NCc1ccc(N)cc1 Amb8631169 [0,1,0,0,0,0|2,0,1]=4 556 B12R1.21 NC(=O)NN=C1C=CC(=O)C=C1 Amb3690631 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.21 NC(=O)NNc1ccc(F)cc1 Amb9786687 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.21 NC(=O)OCc1ccc(O)cc1 Amb28243920 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.21 NC(=O)SCc1ccc(Cl)cc1 Amb27636965 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.21 NC(=O)\C=C/c1ccc(Cl)cc1 Amb17142990 [0,1,0,0,0,0|1,0,0]=2 561 B12R1.21 NC(=O)\C=C/c1ccc(F)nc1 Amb28437309 [0,1,0,0,0,0|2,0,0]=3 562 B12R1.21 NC(=O)\C=C/c1ccc(O)nc1 Amb27640274 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.21 NC(=O)\C=C/c1cnc(N)nc1 Amb28057708 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.21 NC(=O)\C=C\c1cc[n+]([O-])cc1 Amb28384346 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.21 NC(=O)\C=C\c1ccc(Br)cc1 Amb8858355 [0,1,0,0,0,0|1,0,0]=2 566 B12R1.21 NC(=O)\C=C\c1ccc(Br)nc1 Amb27239372 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.21 NC(=O)\C=C\c1ccc(Cl)cc1 Amb2720976 [0,1,0,0,0,0|1,0,0]=2 568 B12R1.21 NC(=O)\C=C\c1ccc(F)cc1 Amb3736713 [0,1,0,0,0,0|1,0,0]=2 569 B12R1.21 NC(=O)\C=C\c1ccc(I)cc1 Amb24758181 [0,1,0,0,0,0|1,0,0]=2 570 B12R1.21 NC(=O)\C=C\c1cnc(N)nc1 Amb27843459 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.21 NC(=O)\N=N\c1ccc(F)cc1 Amb27983758 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.21 NC(=S)\C=C\c1ccc(Cl)cc1 Amb18108355 [0,1,0,0,0,0|1,1,0]=3 573 B12R1.21 NC(=S)\C=C\c1ccc(F)cc1 Amb18627061 [0,1,0,0,0,0|1,1,0]=3 574 B12R1.21 Nc1ccc(C#CC(=O)O)cc1 Amb25111179 [0,1,0,0,0,0|0,0,2]=3 575 B12R1.21 Nc1ccc(CCC(=O)O)cc1 Amb30588024 [0,1,0,0,0,0|0,0,2]=3 576 B12R1.21 Nc1ccc(CCC(=O)O)cc1 Amb6315800 [0,1,0,0,0,0|0,0,2]=3 577 B12R1.21 Nc1ccc(CCC(=O)O)cn1 Amb19958679 [0,1,0,0,0,0|1,0,2]=4 578 B12R1.21 Nc1ccc(CCC(=O)O)cn1 Amb22546430 [0,1,0,0,0,0|1,0,2]=4 579 B12R1.21 Nc1ccc(CCC(=O)O)nc1 Amb24663664 [0,1,0,0,0,0|1,0,2]=4 580 B12R1.21 Nc1ccc(NCC(=O)O)cc1 Amb18296058 [0,1,0,0,0,0|1,0,1]=3 581 B12R1.21 Nc1ccc(NCC(=O)O)cn1 Amb18987715 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.21 Nc1ccc(NCC(=O)O)nc1 Amb17041212 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.21 Nc1ccc(OCC(=O)O)cc1 Amb1034889 [0,1,0,0,0,0|1,0,1]=3 584 B12R1.21 Nc1ccc(OCC(=O)O)cc1 Amb2608856 [0,1,0,0,0,0|1,0,1]=3 585 B12R1.21 Nc1ccc(SCC(=O)O)cc1 Amb2684510 [0,1,0,0,0,0|1,0,1]=3 586 B12R1.21 Nc1ccc(\C=C/C(=O)O)cn1 Amb28134108 [0,1,0,0,0,0|1,0,0]=2 587 B12R1.21 Nc1ccc(\C=C\B(O)O)cc1 Amb24642812 [0,1,0,0,0,0|1,0,1]=3 588 B12R1.21 Nc1ccc(\C=C\C(=O)O)cc1 Amb30584953 [0,1,0,0,0,0|0,0,0]=1 589 B12R1.21 Nc1ccc(\C=C\C(=O)O)cn1 Amb19958812 [0,1,0,0,0,0|1,0,0]=2 590 B12R1.21 Nc1ncc(\C=C\C(=O)O)cn1 Amb837214 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.21 O=C(Cl)CCc1ccc(Br)cc1 Amb28240937 [0,1,0,0,0,0|1,0,2]=4 592 B12R1.21 O=C(Cl)CCc1ccc(Cl)cc1 Amb17143273 [0,1,0,0,0,0|1,0,2]=4 593 B12R1.21 O=C(Cl)CCc1ccc(F)cc1 Amb23440824 [0,1,0,0,0,0|1,0,2]=4 594 B12R1.21 O=C(Cl)CCc1ccc(I)cc1 Amb27973226 [0,1,0,0,0,0|1,0,2]=4 595 B12R1.21 O=C(Cl)COc1ccc(Br)cc1 Amb16186415 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.21 O=C(Cl)COc1ccc(Cl)cc1 Amb2716229 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.21 O=C(Cl)COc1ccc(F)cc1 Amb844299 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.21 O=C(Cl)COc1ccc(I)cc1 Amb28131033 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.21 O=C(Cl)CSc1ccc(Br)cc1 Amb27770810 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.21 O=C(Cl)CSc1ccc(Cl)cc1 Amb17143821 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.21 O=C(Cl)CSc1ccc(F)cc1 Amb9174973 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.21 O=C(Cl)NCc1ccc(Br)cc1 Amb35625815 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.21 O=C(Cl)NCc1ccc(F)cc1 Amb27178203 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.21 O=C(Cl)OCc1ccc(Br)cc1 Amb22059767 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.21 O=C(Cl)OCc1ccc(Cl)cc1 Amb33531980 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.21 O=C(Cl)OCc1ccc(F)cc1 Amb24471576 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.21 O=C(Cl)\C=C\c1ccc(Br)cc1 Amb16230246 [0,1,0,0,0,0|1,0,0]=2 608 B12R1.21 O=C(Cl)\C=C\c1ccc(Cl)cc1 Amb16186540 [0,1,0,0,0,0|1,0,0]=2 609 B12R1.21 O=C(Cl)\C=C\c1ccc(F)cc1 Amb2688311 [0,1,0,0,0,0|1,0,0]=2 610 B12R1.21 O=C(Cl)\C=C\c1ccc(O)cc1 Amb26652435 [0,1,0,0,0,0|1,0,0]=2 611 B12R1.21 O=C(F)NCc1ccc(Cl)cc1 Amb27876366 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.21 O=C(O)C#CC1=CNC(=O)C=C1 Amb27460873 [0,1,0,0,0,0|1,0,2]=4 613 B12R1.21 O=C(O)C#Cc1ccc(Br)cc1 Amb2610347 [0,1,0,0,0,0|0,0,2]=3 614 B12R1.21 O=C(O)C#Cc1ccc(Br)cn1 Amb27466790 [0,1,0,0,0,0|1,0,2]=4 615 B12R1.21 O=C(O)C#Cc1ccc(Cl)cc1 Amb10575987 [0,1,0,0,0,0|0,0,2]=3 616 B12R1.21 O=C(O)C#Cc1ccc(F)cc1 Amb17138570 [0,1,0,0,0,0|0,0,2]=3 617 B12R1.21 O=C(O)C#Cc1ccc(F)cn1 Amb25934823 [0,1,0,0,0,0|1,0,2]=4 618 B12R1.21 O=C(O)C#Cc1ccc(O)cc1 Amb23569631 [0,1,0,0,0,0|0,0,2]=3 619 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb25980784 [0,1,0,0,0,0|1,0,2]=4 620 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb28600252 [0,1,0,0,0,0|1,0,2]=4 621 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb32757591 [0,1,0,0,0,0|1,0,2]=4 622 B12R1.21 O=C(O)CC[n+]1ccc(F)cc1 Amb27259679 [0,1,0,0,0,0|1,0,2]=4 623 B12R1.21 O=C(O)CCc1ccc(Br)cc1 Amb1220330 [0,1,0,0,0,0|0,0,2]=3 624 B12R1.21 O=C(O)CCc1ccc(Br)cn1 Amb28323137 [0,1,0,0,0,0|1,0,2]=4 625 B12R1.21 O=C(O)CCc1ccc(Br)nc1 Amb22292277 [0,1,0,0,0,0|1,0,2]=4 626 B12R1.21 O=C(O)CCc1ccc(Cl)cc1 Amb1093991 [0,1,0,0,0,0|0,0,2]=3 627 B12R1.21 O=C(O)CCc1ccc(Cl)cn1 Amb26633045 [0,1,0,0,0,0|1,0,2]=4 628 B12R1.21 O=C(O)CCc1ccc(Cl)nc1 Amb18649204 [0,1,0,0,0,0|1,0,2]=4 629 B12R1.21 O=C(O)CCc1ccc(Cl)nc1 Amb28555773 [0,1,0,0,0,0|1,0,2]=4 630 B12R1.21 O=C(O)CCc1ccc(F)cc1 Amb1214879 [0,1,0,0,0,0|0,0,2]=3 631 B12R1.21 O=C(O)CCc1ccc(F)cn1 Amb26927594 [0,1,0,0,0,0|1,0,2]=4 632 B12R1.21 O=C(O)CCc1ccc(F)cn1 Amb33620714 [0,1,0,0,0,0|1,0,2]=4 633 B12R1.21 O=C(O)CCc1ccc(F)nc1 Amb22886575 [0,1,0,0,0,0|1,0,2]=4 634 B12R1.21 O=C(O)CCc1ccc(I)cc1 Amb6297807 [0,1,0,0,0,0|0,0,2]=3 635 B12R1.21 O=C(O)CCc1ccc(O)cc1 Amb533172 [0,1,0,0,0,0|0,0,2]=3 636 B12R1.21 O=C(O)CCc1ccc(S)cc1 Amb6296145 [0,1,0,0,0,0|0,0,2]=3 637 B12R1.21 O=C(O)CNc1ccc(Br)cc1 Amb1981434 [0,1,0,0,0,0|1,0,1]=3 638 B12R1.21 O=C(O)CNc1ccc(Cl)cc1 Amb1486152 [0,1,0,0,0,0|1,0,1]=3 639 B12R1.21 O=C(O)CNc1ccc(F)cc1 Amb840523 [0,1,0,0,0,0|1,0,1]=3 640 B12R1.21 O=C(O)CNc1ccc(I)cc1 Amb4598598 [0,1,0,0,0,0|1,0,1]=3 641 B12R1.21 O=C(O)CNc1ccc(O)cc1 Amb1950558 [0,1,0,0,0,0|1,0,1]=3 642 B12R1.21 O=C(O)COc1ccc(Br)cc1 Amb6336449 [0,1,0,0,0,0|1,0,1]=3 643 B12R1.21 O=C(O)COc1ccc(Br)cn1 Amb8439031 [0,1,0,0,0,0|2,0,1]=4 644 B12R1.21 O=C(O)COc1ccc(Br)nc1 Amb32946300 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.21 O=C(O)COc1ccc(Cl)cc1 Amb1830178 [0,1,0,0,0,0|1,0,1]=3 646 B12R1.21 O=C(O)COc1ccc(Cl)cn1 Amb33543498 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.21 O=C(O)COc1ccc(Cl)nc1 Amb28138011 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.21 O=C(O)COc1ccc(F)cc1 Amb1210357 [0,1,0,0,0,0|1,0,1]=3 649 B12R1.21 O=C(O)COc1ccc(F)cn1 Amb24748685 [0,1,0,0,0,0|2,0,1]=4 650 B12R1.21 O=C(O)COc1ccc(F)nc1 Amb26424670 [0,1,0,0,0,0|2,0,1]=4 651 B12R1.21 O=C(O)COc1ccc(I)cc1 Amb1152251 [0,1,0,0,0,0|1,0,1]=3 652 B12R1.21 O=C(O)COc1ccc(O)cc1 Amb2819510 [0,1,0,0,0,0|1,0,1]=3 653 B12R1.21 O=C(O)CSc1cc[n+]([O-])cc1 Amb27645851 [0,1,0,0,0,0|2,0,1]=4 654 B12R1.21 O=C(O)CSc1ccc(Br)cc1 Amb1208368 [0,1,0,0,0,0|1,0,1]=3 655 B12R1.21 O=C(O)CSc1ccc(Br)cn1 Amb6273364 [0,1,0,0,0,0|2,0,1]=4 656 B12R1.21 O=C(O)CSc1ccc(Cl)cc1 Amb6335201 [0,1,0,0,0,0|1,0,1]=3 657 B12R1.21 O=C(O)CSc1ccc(F)cc1 Amb1209262 [0,1,0,0,0,0|1,0,1]=3 658 B12R1.21 O=C(O)CSc1ccc(O)cc1 Amb18291566 [0,1,0,0,0,0|1,0,1]=3 659 B12R1.21 O=C(O)NCc1ccc(Cl)nc1 Amb24068954 [0,1,0,0,0,0|2,0,1]=4 660 B12R1.21 O=C(O)\C=C/c1ccc(Cl)cc1 Amb2553273 [0,1,0,0,0,0|0,0,0]=1 661 B12R1.21 O=C(O)\C=C/c1ccc(F)cc1 Amb24712642 [0,1,0,0,0,0|0,0,0]=1 662 B12R1.21 O=C(O)\C=C\C1=NNC(=O)C=C1 Amb18212061 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.21 O=C(O)\C=C\c1ccc(Br)cc1 Amb33714741 [0,1,0,0,0,0|0,0,0]=1 664 B12R1.21 O=C(O)\C=C\c1ccc(Br)cc1 Amb8517406 [0,1,0,0,0,0|0,0,0]=1 665 B12R1.21 O=C(O)\C=C\c1ccc(Br)cn1 Amb24593980 [0,1,0,0,0,0|1,0,0]=2 666 B12R1.21 O=C(O)\C=C\c1ccc(Br)nc1 Amb33451134 [0,1,0,0,0,0|1,0,0]=2 667 B12R1.21 O=C(O)\C=C\c1ccc(Cl)cc1 Amb6608688 [0,1,0,0,0,0|0,0,0]=1 668 B12R1.21 O=C(O)\C=C\c1ccc(Cl)cn1 Amb26946002 [0,1,0,0,0,0|1,0,0]=2 669 B12R1.21 O=C(O)\C=C\c1ccc(Cl)nc1 Amb22002669 [0,1,0,0,0,0|1,0,0]=2 670 B12R1.21 O=C(O)\C=C\c1ccc(F)cc1 Amb6608746 [0,1,0,0,0,0|0,0,0]=1 671 B12R1.21 O=C(O)\C=C\c1ccc(F)cn1 Amb21962831 [0,1,0,0,0,0|1,0,0]=2 672 B12R1.21 O=C(O)\C=C\c1ccc(F)cn1 Amb33171971 [0,1,0,0,0,0|1,0,0]=2 673 B12R1.21 O=C(O)\C=C\c1ccc(F)nc1 Amb32645871 [0,1,0,0,0,0|1,0,0]=2 674 B12R1.21 O=C(O)\C=C\c1ccc(I)cc1 Amb24079623 [0,1,0,0,0,0|0,0,0]=1 675 B12R1.21 O=C(O)\C=C\c1ccc(I)cc1 Amb35826750 [0,1,0,0,0,0|0,0,0]=1 676 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 Amb1207922 [0,1,0,0,0,0|0,0,0]=1 677 B12R1.21 O=C(O)\C=C\c1ccc(O)nc1 Amb25111280 [0,1,0,0,0,0|1,0,0]=2 678 B12R1.21 O=C(O)\C=C\c1ncc(Br)cn1 Amb33470108 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.21 O=C([O-])CCc1ccc(F)cc1 Amb33513062 [0,1,0,0,0,0|0,0,3]=4 680 B12R1.21 O=C([O-])COc1ccc(Cl)cc1 Amb8383883 [0,1,0,0,0,0|1,0,2]=4 681 B12R1.21 O=C([O-])CSc1ccc(F)cc1 Amb2371026 [0,1,0,0,0,0|1,0,2]=4 682 B12R1.21 O=C([O-])CSc1ccc(F)cc1 Amb44363 [0,1,0,0,0,0|1,0,2]=4 683 B12R1.21 O=C1C=CC(=NCC(=O)O)C=C1 Amb26847942 [0,1,0,0,0,0|1,0,1]=3 684 B12R1.21 O=C1C=CN(CCC(=O)O)C=C1 Amb18534262 [0,1,0,0,0,0|1,0,2]=4 685 B12R1.21 O=C1C=CN(OCC(=O)O)C=C1 Amb18647100 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.21 O=N(=O)\C=C\c1ccc(Cl)cc1 Amb20620832 [0,1,0,0,0,0|1,0,1]=3 687 B12R1.21 O=N(=O)\C=C\c1ccc(O)cc1 Amb2793622 [0,1,0,0,0,0|1,0,1]=3 688 B12R1.21 O=S(O)\C=C\c1ccc(Br)cc1 Amb32753690 [0,1,0,0,0,0|1,0,0]=2 689 B12R1.21 O=S([O-])\C=C\c1ccc(Br)cc1 Amb24629048 [0,1,0,0,0,0|1,0,1]=3 690 B12R1.21 O=S([O-])\C=C\c1ccc(Cl)cc1 Amb32753904 [0,1,0,0,0,0|1,0,1]=3 691 B12R1.21 O=S([O-])\C=C\c1ccc(F)cc1 Amb25180163 [0,1,0,0,0,0|1,0,1]=3 692 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Br)cc1 Amb24078358 [0,1,0,0,0,0|1,0,1]=3 693 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Br)cn1 Amb28456909 [0,1,0,0,0,0|2,0,1]=4 694 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Br)nc1 Amb33456680 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Cl)cc1 Amb33715892 [0,1,0,0,0,0|1,0,1]=3 696 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Cl)cc1 Amb6374141 [0,1,0,0,0,0|1,0,1]=3 697 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Cl)cn1 Amb33456686 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.21 O=[N+]([O-])\C=C\c1ccc(Cl)nc1 Amb33456675 [0,1,0,0,0,0|2,0,1]=4 699 B12R1.21 O=[N+]([O-])\C=C\c1ccc(F)cc1 Amb33513055 [0,1,0,0,0,0|1,0,1]=3 700 B12R1.21 O=[N+]([O-])\C=C\c1ccc(F)cn1 Amb33317369 [0,1,0,0,0,0|2,0,1]=4 701 B12R1.21 O=[N+]([O-])\C=C\c1ccc(F)nc1 Amb27962678 [0,1,0,0,0,0|2,0,1]=4 702 B12R1.21 O=[N+]([O-])\C=C\c1ccc(I)cc1 Amb24641629 [0,1,0,0,0,0|1,0,1]=3 703 B12R1.21 O=[N+]([O-])\C=C\c1ccc(O)cc1 Amb2459904 [0,1,0,0,0,0|1,0,1]=3 704 B12R1.21 O=[N+]([O-])\C=C\c1ccc(O)nc1 Amb25064721 [0,1,0,0,0,0|2,0,1]=4 705 B12R1.21 OB(O)\C=C\c1ccc(Br)cc1 Amb26553688 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.21 OB(O)\C=C\c1ccc(Br)cn1 Amb35640802 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.21 OB(O)\C=C\c1ccc(Cl)cc1 Amb2455790 [0,1,0,0,0,0|1,0,1]=3 708 B12R1.21 OB(O)\C=C\c1ccc(Cl)cn1 Amb27398458 [0,1,0,0,0,0|2,0,1]=4 709 B12R1.21 OB(O)\C=C\c1ccc(F)cc1 Amb2455999 [0,1,0,0,0,0|1,0,1]=3 710 B12R1.27 C#CC(=O)CCc1ccccc1 Amb24483845 [0,1,0,0,0,0|1,0,2]=4 711 B12R1.27 C#CC(=O)CSc1ccccc1 Amb27961049 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.27 C#CC(=O)NCc1ccccc1 Amb10572437 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.27 C#CC(=O)NNc1ccccc1 Amb28317629 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.27 C#CC(=O)OCc1ccccc1 Amb24057136 [0,1,0,0,0,0|2,0,1]=4 715 B12R1.27 C#CC(C)\C=C\c1ccccc1 Amb33080777 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.27 C#CC(O)\C=C\c1ccccc1 Amb3354803 [0,1,0,0,0,0|1,0,1]=3 717 B12R1.27 C#C[C@H](O)\C=C\c1ccccc1 Amb28127146 [0,1,0,0,0,0|1,0,1]=3 718 B12R1.27 C=C(\C=C\c1ccccc1)CBr Amb33081080 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.27 C=C(\C=C\c1ccccc1)CCl Amb33081096 [0,1,0,0,0,0|2,0,0]=3 720 B12R1.27 C=C(\C=C\c1ccccc1)CN Amb33080787 [0,1,0,0,0,0|2,0,0]=3 721 B12R1.27 C=CC(=O)CCc1ccccc1 Amb10562280 [0,1,0,0,0,0|1,0,2]=4 722 B12R1.27 C=CC(=O)CNc1ccccc1 Amb27840511 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.27 C=CC(=O)NCc1ccccc1 Amb1196142 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.27 C=CC(=O)OCc1ccccc1 Amb10807780 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.27 C=CC(=O)\C=C\c1ccccc1 Amb33503118 [0,1,0,0,0,0|1,0,0]=2 726 B12R1.27 C=CC(O)\C=C\c1ccccc1 Amb27478521 [0,1,0,0,0,0|1,0,1]=3 727 B12R1.27 CC(=N\O)\N=N\c1ccccc1 Amb27487777 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.27 CC(C#N)\C=C\c1ccccc1 Amb33081313 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.27 CC(C=O)\C=C\c1ccccc1 Amb33081219 [0,1,0,0,0,0|1,0,1]=3 730 B12R1.27 CC(\C=C\c1ccccc1)=N/O Amb24101081 [0,1,0,0,0,0|1,0,0]=2 731 B12R1.27 CC(\C=C\c1ccccc1)=N\O Amb27204245 [0,1,0,0,0,0|1,0,0]=2 732 B12R1.27 CC(\C=C\c1ccccc1)CBr Amb33080770 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.27 CC(\C=C\c1ccccc1)CN Amb33081132 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.27 CC(\C=C\c1ccccc1)ON Amb33080788 [0,1,0,0,0,0|1,0,1]=3 735 B12R1.27 CC(\C=N\c1ccccc1)CO Amb20248421 [0,1,0,0,0,0|2,0,1]=4 736 B12R1.27 CC(\N=N\c1ccccc1)=N/O Amb22731704 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.27 CCC(=O)C#Cc1ccccc1 Amb10562235 [0,1,0,0,0,0|1,0,2]=4 738 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [0,1,0,0,0,0|1,0,2]=4 739 B12R1.27 CCC(=O)CNc1ccccc1 Amb27643385 [0,1,0,0,0,0|2,0,1]=4 740 B12R1.27 CCC(=O)CSc1ccccc1 Amb4165963 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.27 CCC(=O)NCc1ccccc1 Amb3097295 [0,1,0,0,0,0|2,0,1]=4 742 B12R1.27 CCC(=O)NNc1ccccc1 Amb2720825 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.27 CCC(=O)NOc1ccccc1 Amb27827163 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.27 CCC(=O)OCc1ccccc1 Amb6357157 [0,1,0,0,0,0|2,0,1]=4 745 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [0,1,0,0,0,0|1,0,0]=2 746 B12R1.27 CCC(=O)\C=C\c1ccncc1 Amb25962375 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [0,1,0,0,0,0|1,0,1]=3 748 B12R1.27 CCS(=O)\N=C\c1ccccc1 Amb35726562 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.27 CC[C@H](O)\C=C\c1ccccc1 Amb27205385 [0,1,0,0,0,0|1,0,1]=3 750 B12R1.27 CNC(=O)CCc1ccccc1 Amb3886651 [0,1,0,0,0,0|1,0,2]=4 751 B12R1.27 CNC(=O)CSc1ccccc1 Amb33545141 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.27 CNC(=O)NNc1ccccc1 Amb25751263 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.27 CNC(=O)NOc1ccccc1 Amb27848154 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.27 CNC(=O)OCc1ccccc1 Amb26883461 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.27 CNC(=O)SCc1ccccc1 Amb28243771 [0,1,0,0,0,0|2,0,1]=4 756 B12R1.27 CNC(=O)\C=C\c1ccncc1 Amb28454984 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.27 COC(=N)CSc1ccccc1 Amb29847972 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.27 COC(=O)C#Cc1ccccc1 Amb4019367 [0,1,0,0,0,0|0,0,2]=3 759 B12R1.27 COC(=O)C#Cc1ccccn1 Amb1039304 [0,1,0,0,0,0|1,0,2]=4 760 B12R1.27 COC(=O)C#Cc1cccnc1 Amb28122840 [0,1,0,0,0,0|1,0,2]=4 761 B12R1.27 COC(=O)C#Cc1ccncc1 Amb27227860 [0,1,0,0,0,0|1,0,2]=4 762 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [0,1,0,0,0,0|0,0,2]=3 763 B12R1.27 COC(=O)CCc1cccnc1 Amb6357821 [0,1,0,0,0,0|1,0,2]=4 764 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,1,0,0,0,0|1,0,2]=4 765 B12R1.27 COC(=O)CNc1ccccc1 Amb33548260 [0,1,0,0,0,0|1,0,1]=3 766 B12R1.27 COC(=O)CNc1ccccc1 Amb6323391 [0,1,0,0,0,0|1,0,1]=3 767 B12R1.27 COC(=O)CNc1ccccn1 Amb6649089 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.27 COC(=O)CNc1cccnc1 Amb18270093 [0,1,0,0,0,0|2,0,1]=4 769 B12R1.27 COC(=O)CNc1ccncc1 Amb6631083 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.27 COC(=O)COc1ccccc1 Amb2689596 [0,1,0,0,0,0|1,0,1]=3 771 B12R1.27 COC(=O)COc1ccccn1 Amb24095859 [0,1,0,0,0,0|2,0,1]=4 772 B12R1.27 COC(=O)CSc1ccccc1 Amb2689638 [0,1,0,0,0,0|1,0,1]=3 773 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [0,1,0,0,0,0|1,0,1]=3 774 B12R1.27 COC(=O)NNc1ccccn1 Amb28350961 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,1,0,0,0,0|1,0,1]=3 776 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb33716217 [0,1,0,0,0,0|0,0,0]=1 777 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb8515074 [0,1,0,0,0,0|0,0,0]=1 778 B12R1.27 COC(=O)\C=C\c1ccccn1 Amb25036096 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.27 COC(=O)\C=C\c1cccnc1 Amb17844385 [0,1,0,0,0,0|1,0,0]=2 780 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb20668041 [0,1,0,0,0,0|1,0,0]=2 781 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb24074160 [0,1,0,0,0,0|1,0,0]=2 782 B12R1.27 COC(=O)\C=C\c1ccncn1 Amb28069217 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.27 COC(=O)\C=C\c1cnccn1 Amb22524637 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.27 COC(=O)\C=C\c1cncnc1 Amb2698637 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.27 COC(=O)\C=C\c1ncccn1 Amb25337205 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.27 COC(=S)NCc1ccccc1 Amb27388388 [0,1,0,0,0,0|1,1,1]=4 787 B12R1.27 COC(Cl)\C=C\c1ccccc1 Amb26371733 [0,1,0,0,0,0|1,0,1]=3 788 B12R1.27 C[C@@H](CO)\N=C\c1ccccc1 Amb28190372 [0,1,0,0,0,0|2,0,1]=4 789 B12R1.27 C[C@@H](\C=C\c1ccccc1)CO Amb27642008 [0,1,0,0,0,0|1,0,1]=3 790 B12R1.27 C\C(=C/Cc1ccccc1)CN Amb27402545 [0,1,0,0,0,0|2,0,1]=4 791 B12R1.27 C\C(=C\Cc1ccccc1)CO Amb17594048 [0,1,0,0,0,0|1,0,1]=3 792 B12R1.27 C\C(C#N)=C\Nc1ccccc1 Amb27420007 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.27 C\C(C=O)=C/Nc1ccccc1 Amb18645511 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.27 C\C(COc1ccccc1)=N\O Amb35672643 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.27 ClCC(Cl)\C=C\c1ccccc1 Amb25124868 [0,1,0,0,0,0|2,0,1]=4 796 B12R1.27 N#CC(=O)OCc1ccccc1 Amb9786353 [0,1,0,0,0,0|2,0,1]=4 797 B12R1.27 N#CC(O)\C=C\c1ccccc1 Amb28208386 [0,1,0,0,0,0|1,0,1]=3 798 B12R1.27 N=C(CO)OCc1ccccc1 Amb27598593 [0,1,0,0,0,0|2,0,1]=4 799 B12R1.27 NC(\C=C\c1ccccc1)=N/O Amb27816576 [0,1,0,0,0,0|1,0,0]=2 800 B12R1.27 NC(\C=C\c1ccccc1)=N\O Amb25065269 [0,1,0,0,0,0|1,0,0]=2 801 B12R1.27 NC(\C=C\c1ccccc1)CO Amb32954713 [0,1,0,0,0,0|1,0,1]=3 802 B12R1.27 NC(\N=N\c1ccccc1)=N/O Amb27870208 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [0,1,0,0,0,0|1,0,2]=4 804 B12R1.27 NCC(=O)CCc1ccccc1 Amb35788694 [0,1,0,0,0,0|1,0,2]=4 805 B12R1.27 NCC(=O)NCc1ccccc1 Amb6477742 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.27 NCC(=O)NCc1ccccc1 Amb7969763 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb32954851 [0,1,0,0,0,0|1,0,0]=2 810 B12R1.27 NCC(Cl)\C=C\c1ccccc1 Amb27447294 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.27 NCC(F)\C=C\c1ccccc1 Amb33081747 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.27 NCC(O)\C=C\c1ccccc1 Amb32953205 [0,1,0,0,0,0|1,0,1]=3 813 B12R1.27 NC[C@@H](O)\C=C\c1ccccc1 Amb33080765 [0,1,0,0,0,0|1,0,1]=3 814 B12R1.27 NC[C@H](O)\C=C\c1ccccc1 Amb33080762 [0,1,0,0,0,0|1,0,1]=3 815 B12R1.27 NNC(=O)CCc1ccccc1 Amb1130599 [0,1,0,0,0,0|1,0,2]=4 816 B12R1.27 NNC(=O)CNc1ccccc1 Amb1104534 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.27 NNC(=O)CNc1ccccc1 Amb29844457 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.27 NNC(=O)COc1ccccc1 Amb6402305 [0,1,0,0,0,0|2,0,1]=4 819 B12R1.27 NNC(=O)CSc1ccccc1 Amb4065797 [0,1,0,0,0,0|2,0,1]=4 820 B12R1.27 NNC(=O)NCc1ccccc1 Amb8853874 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.27 NNC(=O)NNc1ccccc1 Amb28045865 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.27 NNC(=O)OCc1ccccc1 Amb33422006 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.27 NNC(=O)OCc1ccccc1 Amb8516532 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb9817076 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.27 NNC(=O)\C=C\c1cccnc1 Amb2612884 [0,1,0,0,0,0|2,0,0]=3 826 B12R1.27 NNC(=O)\C=C\c1ccncc1 Amb26611701 [0,1,0,0,0,0|2,0,0]=3 827 B12R1.27 N[C@@H](\C=C\c1ccccc1)CO Amb33081817 [0,1,0,0,0,0|1,0,1]=3 828 B12R1.27 N[C@H](\C=C\c1ccccc1)CO Amb32953226 [0,1,0,0,0,0|1,0,1]=3 829 B12R1.27 N\C(C#Cc1ccccc1)=N\O Amb27454813 [0,1,0,0,0,0|1,0,2]=4 830 B12R1.27 N\C(CCc1ccccc1)=N/O Amb1115853 [0,1,0,0,0,0|1,0,2]=4 831 B12R1.27 N\C(CCc1ccccc1)=N\O Amb22053006 [0,1,0,0,0,0|1,0,2]=4 832 B12R1.27 N\C(COc1ccccc1)=N/O Amb6666310 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.27 N\C(CSc1ccccc1)=N/O Amb6677887 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.27 O=C(C#Cc1ccccc1)CCl Amb26866804 [0,1,0,0,0,0|1,0,2]=4 835 B12R1.27 O=C(C#Cc1ccccc1)NO Amb27755294 [0,1,0,0,0,0|0,0,2]=3 836 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [0,1,0,0,0,0|1,0,2]=4 837 B12R1.27 O=C(CBr)COc1ccccc1 Amb20668077 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.27 O=C(CBr)NCc1ccccc1 Amb2221074 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.27 O=C(CBr)OCc1ccccc1 Amb2720586 [0,1,0,0,0,0|2,0,1]=4 840 B12R1.27 O=C(CCc1ccccc1)NO Amb6277186 [0,1,0,0,0,0|0,0,2]=3 841 B12R1.27 O=C(CCl)CCc1ccccc1 Amb17139043 [0,1,0,0,0,0|1,0,2]=4 842 B12R1.27 O=C(CCl)COc1ccccc1 Amb17139095 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.27 O=C(CCl)CSc1ccccc1 Amb32435047 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.27 O=C(CCl)NCc1ccccc1 Amb6324481 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.27 O=C(CCl)NNc1ccccc1 Amb22411427 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.27 O=C(CCl)OCc1ccccc1 Amb844249 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.27 O=C(CF)NCc1ccccc1 Amb27237611 [0,1,0,0,0,0|2,0,1]=4 848 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [0,1,0,0,0,0|2,0,1]=4 849 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [0,1,0,0,0,0|2,0,1]=4 850 B12R1.27 O=C(CO)CCc1ccccc1 Amb18563609 [0,1,0,0,0,0|0,0,2]=3 851 B12R1.27 O=C(CO)CCc1ccccn1 Amb18563673 [0,1,0,0,0,0|1,0,2]=4 852 B12R1.27 O=C(CO)CCc1cccnc1 Amb18563674 [0,1,0,0,0,0|1,0,2]=4 853 B12R1.27 O=C(CO)CCc1ccncc1 Amb18563675 [0,1,0,0,0,0|1,0,2]=4 854 B12R1.27 O=C(CO)COc1ccccc1 Amb18563713 [0,1,0,0,0,0|1,0,1]=3 855 B12R1.27 O=C(CO)NCc1ccccc1 Amb1111331 [0,1,0,0,0,0|1,0,1]=3 856 B12R1.27 O=C(CO)NCc1ccccn1 Amb17334667 [0,1,0,0,0,0|2,0,1]=4 857 B12R1.27 O=C(CO)NCc1cccnc1 Amb17334668 [0,1,0,0,0,0|2,0,1]=4 858 B12R1.27 O=C(CO)NCc1ccncc1 Amb17334669 [0,1,0,0,0,0|2,0,1]=4 859 B12R1.27 O=C(CO)NNc1ccccc1 Amb27615381 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.27 O=C(CO)NNc1ccncc1 Amb28061791 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.27 O=C(CO)OCc1ccccc1 Amb3939223 [0,1,0,0,0,0|1,0,1]=3 862 B12R1.27 O=C(COc1ccccc1)NO Amb6270455 [0,1,0,0,0,0|1,0,1]=3 863 B12R1.27 O=C(COc1cccnc1)NO Amb28043772 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.27 O=C(CS)NNc1ccccc1 Amb8459004 [0,1,0,0,0,0|2,1,0]=4 865 B12R1.27 O=C(CS)OCc1ccccc1 Amb9786411 [0,1,0,0,0,0|1,1,1]=4 866 B12R1.27 O=C(CSc1ccccc1)NO Amb27590137 [0,1,0,0,0,0|1,0,1]=3 867 B12R1.27 O=C(CSc1ccncc1)NO Amb28140463 [0,1,0,0,0,0|2,0,1]=4 868 B12R1.27 O=C(NCl)NCc1ccccc1 Amb22735087 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.27 O=C(NCl)OCc1ccccc1 Amb21948731 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.27 O=C(NO)NCc1ccccn1 Amb28317440 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.27 O=C(NO)NNc1ccccc1 Amb3427817 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.27 O=C(NO)OCc1ccccc1 Amb2445312 [0,1,0,0,0,0|1,0,1]=3 873 B12R1.27 O=C(\C=C\c1ccccc1)CBr Amb17596167 [0,1,0,0,0,0|1,0,0]=2 874 B12R1.27 O=C(\C=C\c1ccccc1)CCl Amb17594640 [0,1,0,0,0,0|1,0,0]=2 875 B12R1.27 O=C(\C=C\c1ccccc1)N[O-] Amb27185829 [0,1,0,0,0,0|0,0,1]=2 876 B12R1.27 O=C(\C=C\c1ccccn1)NO Amb28370532 [0,1,0,0,0,0|1,0,0]=2 877 B12R1.27 O=C(\C=C\c1cccnc1)NO Amb28140433 [0,1,0,0,0,0|1,0,0]=2 878 B12R1.27 O=CC(=O)OCc1ccccc1 Amb18645967 [0,1,0,0,0,0|1,0,2]=4 879 B12R1.27 O=C\C(Cl)=C\Nc1ccccc1 Amb25797781 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.27 O=C\C(Cl)=N\Nc1ccccc1 Amb27797293 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.27 O=C\C(F)=C\Cc1ccccc1 Amb27166149 [0,1,0,0,0,0|1,0,1]=3 882 B12R1.27 O=C\C(O)=C/Nc1ccccc1 Amb27476557 [0,1,0,0,0,0|1,0,0]=2 883 B12R1.27 OC(\C=C\c1ccccc1)CBr Amb33080783 [0,1,0,0,0,0|1,0,1]=3 884 B12R1.27 OC(\C=C\c1ccccc1)CCl Amb26527861 [0,1,0,0,0,0|1,0,1]=3 885 B12R1.27 OC(\C=C\c1ccccc1)CF Amb32953290 [0,1,0,0,0,0|1,0,1]=3 886 B12R1.27 OCC(=S)OCc1ccccc1 Amb27835138 [0,1,0,0,0,0|1,1,1]=4 887 B12R1.27 OCC(F)\C=C\c1ccccc1 Amb27593937 [0,1,0,0,0,0|1,0,1]=3 888 B12R1.27 OCC(O)\C=C\c1ccccc1 Amb32953203 [0,1,0,0,0,0|0,0,2]=3 889 B12R1.27 OC[C@H](O)\C=C\c1ccccc1 Amb28410835 [0,1,0,0,0,0|0,0,2]=3 890 B12R1.27 O\N=C(/Cl)CCc1ccccc1 Amb32661748 [0,1,0,0,0,0|1,0,2]=4 891 B12R1.27 [C-]#[N+]C(C)\C=C\c1ccccc1 Amb33081337 [0,1,0,0,0,0|2,0,1]=4 892 B12R1.27 [C-]#[N+]\C(C)=C/Nc1ccccc1 Amb28398147 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.27 [NH3+]CC(=O)OCc1ccccc1 Amb4037912 [0,1,0,0,0,0|2,0,1]=4 894 B12R1.43 C=C(C)C(=O)Nc1ccccc1 Amb6384289 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.43 C=C(C)C(=O)Oc1ccccc1 Amb8394675 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.43 C=C(C)C(=S)Nc1ccccc1 Amb28243811 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.43 C=C(Cc1ccccc1)C(=O)Cl Amb27416413 [0,1,0,0,0,0|1,0,1]=3 898 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [0,1,0,0,0,0|0,0,1]=2 899 B12R1.43 C=C(Cc1ccccc1)[N+](=O)[O-] Amb33295355 [0,1,0,0,0,0|1,0,2]=4 900 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,1,0,0,0,0|1,0,1]=3 901 B12R1.43 C=C(Cc1ccncc1)C(=O)O Amb27389258 [0,1,0,0,0,0|1,0,1]=3 902 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 Amb27751263 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.43 C=C(Sc1ccccc1)C(C)O Amb27764800 [0,1,0,0,0,0|2,0,1]=4 904 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,1,0,0,0,0|1,0,1]=3 905 B12R1.43 CC(=O)C(=O)Cc1ccccn1 Amb26923275 [0,1,0,0,0,0|2,0,1]=4 906 B12R1.43 CC(=O)C(=O)Cc1cccnc1 Amb24556780 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.43 CC(=O)C(=O)Cc1ccncc1 Amb24555440 [0,1,0,0,0,0|2,0,1]=4 908 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.43 CC(=O)C(=O)Nc1cccnc1 Amb28319843 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.43 CC(=O)C(Br)Cc1ccccc1 Amb17507835 [0,1,0,0,0,0|1,0,2]=4 911 B12R1.43 CC(=O)C(C)Cc1ccccc1 Amb17232407 [0,1,0,0,0,0|1,0,2]=4 912 B12R1.43 CC(=O)C(C)Nc1ccccc1 Amb28246424 [0,1,0,0,0,0|2,0,1]=4 913 B12R1.43 CC(=O)C(C)Oc1ccccc1 Amb2439364 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.43 CC(=O)C(C)Sc1ccccc1 Amb9269983 [0,1,0,0,0,0|2,0,1]=4 915 B12R1.43 CC(=O)C(Cl)Cc1ccccc1 Amb17204329 [0,1,0,0,0,0|1,0,2]=4 916 B12R1.43 CC(=O)C(Cl)Oc1ccccc1 Amb27878745 [0,1,0,0,0,0|2,0,1]=4 917 B12R1.43 CC(=O)C(F)Cc1ccccc1 Amb27453671 [0,1,0,0,0,0|1,0,2]=4 918 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb1099237 [0,1,0,0,0,0|1,0,2]=4 919 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb2600540 [0,1,0,0,0,0|1,0,2]=4 920 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [0,1,0,0,0,0|1,0,2]=4 921 B12R1.43 CC(=O)N(C)Cc1ccccc1 Amb3886652 [0,1,0,0,0,0|2,0,1]=4 922 B12R1.43 CC(=O)N(C)Nc1ccccc1 Amb22359748 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.43 CC(=O)[C@@H](N)Cc1ccccc1 Amb27874005 [0,1,0,0,0,0|1,0,2]=4 924 B12R1.43 CC(=O)[C@H](N)Cc1ccccc1 Amb35588699 [0,1,0,0,0,0|1,0,2]=4 925 B12R1.43 CC(=O)\C(Br)=C\c1ccccc1 Amb17596166 [0,1,0,0,0,0|1,0,0]=2 926 B12R1.43 CC(=O)\C(C)=C\c1ccccc1 Amb17594004 [0,1,0,0,0,0|1,0,0]=2 927 B12R1.43 CC(=O)\C(C)=C\c1cccnc1 Amb25373091 [0,1,0,0,0,0|2,0,0]=3 928 B12R1.43 CC(=O)\C(C)=C\c1cnccn1 Amb35601037 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.43 CC(=O)\C(C)=N\c1ccccc1 Amb24537849 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.43 CC(C)=C(C)Sc1ccccc1 Amb28284519 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.43 CC(Cc1ccccc1)C(=O)Cl Amb5744098 [0,1,0,0,0,0|1,0,2]=4 932 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [0,1,0,0,0,0|0,0,2]=3 933 B12R1.43 CC(Cc1ccccc1)C(N)=O Amb2701804 [0,1,0,0,0,0|1,0,2]=4 934 B12R1.43 CC(Cc1ccccn1)C(=O)O Amb5744008 [0,1,0,0,0,0|1,0,2]=4 935 B12R1.43 CC(Cc1cccnc1)C(=O)O Amb5744009 [0,1,0,0,0,0|1,0,2]=4 936 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb33743550 [0,1,0,0,0,0|1,0,2]=4 937 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb5744010 [0,1,0,0,0,0|1,0,2]=4 938 B12R1.43 CC(Nc1ccccc1)C(=O)O Amb1213440 [0,1,0,0,0,0|1,0,1]=3 939 B12R1.43 CC(Nc1cccnc1)C(=O)O Amb18270393 [0,1,0,0,0,0|2,0,1]=4 940 B12R1.43 CC(O)C(=O)Cc1ccccc1 Amb24487306 [0,1,0,0,0,0|1,0,2]=4 941 B12R1.43 CC(O)C(=O)Nc1ccccc1 Amb1230509 [0,1,0,0,0,0|2,0,1]=4 942 B12R1.43 CC(O)C(=O)Sc1ccccc1 Amb27594805 [0,1,0,0,0,0|2,0,1]=4 943 B12R1.43 CC(Oc1ccccc1)C(=O)Cl Amb3939464 [0,1,0,0,0,0|2,0,1]=4 944 B12R1.43 CC(Oc1ccccc1)C(=O)O Amb9702438 [0,1,0,0,0,0|1,0,1]=3 945 B12R1.43 CC(Oc1ccccc1)C(N)=O Amb3886659 [0,1,0,0,0,0|2,0,1]=4 946 B12R1.43 CC(Oc1ccccn1)C(=O)O Amb26054640 [0,1,0,0,0,0|2,0,1]=4 947 B12R1.43 CC(Oc1cccnc1)C(=O)O Amb9783585 [0,1,0,0,0,0|2,0,1]=4 948 B12R1.43 CC(Sc1ccccc1)C(=O)Cl Amb17143250 [0,1,0,0,0,0|2,0,1]=4 949 B12R1.43 CC(Sc1ccccc1)C(=O)O Amb9745732 [0,1,0,0,0,0|1,0,1]=3 950 B12R1.43 CC(Sc1ccccc1)C(N)=O Amb10665761 [0,1,0,0,0,0|2,0,1]=4 951 B12R1.43 CC(Sc1ccccn1)C(=O)O Amb9710966 [0,1,0,0,0,0|2,0,1]=4 952 B12R1.43 CC(Sc1ccncc1)C(=O)O Amb6265772 [0,1,0,0,0,0|2,0,1]=4 953 B12R1.43 CN(Cc1ccccc1)C(=O)Cl Amb17563090 [0,1,0,0,0,0|2,0,1]=4 954 B12R1.43 CN(Cc1ccccc1)C(N)=O Amb6250028 [0,1,0,0,0,0|2,0,1]=4 955 B12R1.43 CN(O)C(=O)Cc1ccccc1 Amb27622562 [0,1,0,0,0,0|2,0,1]=4 956 B12R1.43 CN(O)C(=O)Nc1ccccc1 Amb2691797 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.43 CN(O)C(=O)Oc1ccccc1 Amb28125844 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.43 CN(O)C(=S)Nc1ccccc1 Amb27751298 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [0,1,0,0,0,0|0,0,2]=3 960 B12R1.43 C[C@@H](Cc1ccccn1)C(=O)O Amb10843999 [0,1,0,0,0,0|1,0,2]=4 961 B12R1.43 C[C@@H](Cc1cccnc1)C(=O)O Amb10844005 [0,1,0,0,0,0|1,0,2]=4 962 B12R1.43 C[C@@H](Cc1ccncc1)C(=O)O Amb10844007 [0,1,0,0,0,0|1,0,2]=4 963 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)O Amb22801823 [0,1,0,0,0,0|1,0,1]=3 964 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)O Amb22736710 [0,1,0,0,0,0|1,0,1]=3 965 B12R1.43 C[C@@H](Oc1cccnc1)C(=O)O Amb28288991 [0,1,0,0,0,0|2,0,1]=4 966 B12R1.43 C[C@@H](Sc1ccccc1)C(=O)O Amb27425234 [0,1,0,0,0,0|1,0,1]=3 967 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [0,1,0,0,0,0|0,0,2]=3 968 B12R1.43 C[C@H](Cc1ccccc1)C(N)=O Amb28319376 [0,1,0,0,0,0|1,0,2]=4 969 B12R1.43 C[C@H](Cc1ccccn1)C(=O)O Amb10843998 [0,1,0,0,0,0|1,0,2]=4 970 B12R1.43 C[C@H](Cc1cccnc1)C(=O)O Amb10844004 [0,1,0,0,0,0|1,0,2]=4 971 B12R1.43 C[C@H](Cc1ccncc1)C(=O)O Amb10844006 [0,1,0,0,0,0|1,0,2]=4 972 B12R1.43 C[C@H](Nc1ccccc1)C(=O)O Amb24434019 [0,1,0,0,0,0|1,0,1]=3 973 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 Amb27244706 [0,1,0,0,0,0|2,0,1]=4 974 B12R1.43 C[C@H](Oc1ccccc1)C(=O)O Amb22736711 [0,1,0,0,0,0|1,0,1]=3 975 B12R1.43 C[C@H](Oc1ccccc1)C(N)=O Amb27431501 [0,1,0,0,0,0|2,0,1]=4 976 B12R1.43 C[C@H](Oc1cccnc1)C(=O)O Amb28197526 [0,1,0,0,0,0|2,0,1]=4 977 B12R1.43 C\C(=C/c1ccccc1)B(O)O Amb26348065 [0,1,0,0,0,0|1,0,1]=3 978 B12R1.43 C\C(=C/c1ccccc1)C(=N)N Amb32952072 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.43 C\C(=C/c1ccccc1)C(=O)Cl Amb24061289 [0,1,0,0,0,0|1,0,0]=2 980 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,1,0,0,0,0|0,0,0]=1 981 B12R1.43 C\C(=C/c1ccccc1)C(C)Br Amb27654847 [0,1,0,0,0,0|2,0,1]=4 982 B12R1.43 C\C(=C/c1ccccc1)C(C)Cl Amb27779593 [0,1,0,0,0,0|2,0,1]=4 983 B12R1.43 C\C(=C/c1ccccc1)C(C)N Amb33329380 [0,1,0,0,0,0|2,0,1]=4 984 B12R1.43 C\C(=C/c1ccccc1)C(C)O Amb27762014 [0,1,0,0,0,0|1,0,1]=3 985 B12R1.43 C\C(=C/c1ccccc1)C(N)=S Amb33082670 [0,1,0,0,0,0|1,1,0]=3 986 B12R1.43 C\C(=C/c1ccccc1)[C@@H](C)N Amb33476129 [0,1,0,0,0,0|2,0,1]=4 987 B12R1.43 C\C(=C/c1ccccc1)[C@@H](C)O Amb32952077 [0,1,0,0,0,0|1,0,1]=3 988 B12R1.43 C\C(=C/c1ccccc1)[C@H](C)N Amb27261769 [0,1,0,0,0,0|2,0,1]=4 989 B12R1.43 C\C(=C/c1ccccc1)[C@H](C)O Amb27589732 [0,1,0,0,0,0|1,0,1]=3 990 B12R1.43 C\C(=C/c1ccccc1)[N+](=O)[O-] Amb6320973 [0,1,0,0,0,0|1,0,1]=3 991 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb30584914 [0,1,0,0,0,0|1,0,0]=2 992 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb33995393 [0,1,0,0,0,0|1,0,0]=2 993 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,1,0,0,0,0|1,0,0]=2 994 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,1,0,0,0,0|1,0,0]=2 995 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,1,0,0,0,0|1,0,0]=2 996 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,1,0,0,0,0|1,0,0]=2 997 B12R1.43 C\C(=C/c1cncnc1)C(=O)O Amb27755121 [0,1,0,0,0,0|2,0,0]=3 998 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,1,0,0,0,0|0,0,0]=1 999 B12R1.43 C\C(=C\c1ccccc1)C(N)=S Amb27466528 [0,1,0,0,0,0|1,1,0]=3 1000 B12R1.43 C\C(=C\c1ccccc1)[N+](=O)[O-] Amb21520351 [0,1,0,0,0,0|1,0,1]=3 1001 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,1,0,0,0,0|1,0,0]=2 1002 B12R1.43 C\C(=C\c1cccnc1)[N+](=O)[O-] Amb25294704 [0,1,0,0,0,0|2,0,1]=4 1003 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,1,0,0,0,0|1,0,0]=2 1004 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,1,0,0,0,0|2,0,0]=3 1005 B12R1.43 Cl\C(=C/c1ccccc1)P(Cl)Cl Amb4297325 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.43 FC(F)=C(F)Oc1ccccc1 Amb10841028 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.43 N=C(N)C(=O)Cc1ccccc1 Amb27257229 [0,1,0,0,0,0|2,0,1]=4 1008 B12R1.43 N=C(Nc1ccccc1)C(=O)O Amb18645991 [0,1,0,0,0,0|1,0,0]=2 1009 B12R1.43 NC(=O)C(=O)Cc1ccccc1 Amb28119010 [0,1,0,0,0,0|1,0,1]=3 1010 B12R1.43 NC(=O)C(=O)Nc1ccccc1 Amb1859924 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.43 NC(=O)C(=O)Oc1ccccc1 Amb26619370 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.43 NC(=O)C(=S)Nc1ccccc1 Amb6316935 [0,1,0,0,0,0|2,0,0]=3 1013 B12R1.43 NC(=O)C(=S)Nc1ccccn1 Amb6870743 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.43 NC(=O)C(Br)Cc1ccccc1 Amb23533327 [0,1,0,0,0,0|1,0,2]=4 1015 B12R1.43 NC(=O)C(Cl)Cc1ccccc1 Amb17204334 [0,1,0,0,0,0|1,0,2]=4 1016 B12R1.43 NC(=O)C(F)Sc1ccccc1 Amb27865643 [0,1,0,0,0,0|2,0,1]=4 1017 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb20240621 [0,1,0,0,0,0|1,0,2]=4 1018 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb9727200 [0,1,0,0,0,0|1,0,2]=4 1019 B12R1.43 NC(=O)C(N)Oc1ccccc1 Amb25696007 [0,1,0,0,0,0|2,0,1]=4 1020 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [0,1,0,0,0,0|1,0,2]=4 1021 B12R1.43 NC(=O)C(S)Cc1ccccc1 Amb27663190 [0,1,0,0,0,0|1,0,2]=4 1022 B12R1.43 NC(=O)N(O)Cc1ccccc1 Amb27966850 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.43 NC(=O)[C@@H](Br)Cc1ccccc1 Amb27240179 [0,1,0,0,0,0|1,0,2]=4 1024 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb6295777 [0,1,0,0,0,0|1,0,2]=4 1025 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb9825510 [0,1,0,0,0,0|1,0,2]=4 1026 B12R1.43 NC(=O)[C@@H](O)Cc1ccccc1 Amb26371653 [0,1,0,0,0,0|1,0,2]=4 1027 B12R1.43 NC(=O)[C@H](Cl)Cc1ccccc1 Amb28385619 [0,1,0,0,0,0|1,0,2]=4 1028 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb16183950 [0,1,0,0,0,0|1,0,2]=4 1029 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb33800758 [0,1,0,0,0,0|1,0,2]=4 1030 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [0,1,0,0,0,0|1,0,2]=4 1031 B12R1.43 NC(=O)\C(Cl)=C\c1ccccc1 Amb3724521 [0,1,0,0,0,0|1,0,0]=2 1032 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb19958284 [0,1,0,0,0,0|0,0,2]=3 1033 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb9703092 [0,1,0,0,0,0|0,0,2]=3 1034 B12R1.43 NC(Cc1ccccc1)[PH](=O)O Amb27254109 [0,1,0,0,0,0|1,0,2]=4 1035 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb22234042 [0,1,0,0,0,0|1,0,2]=4 1036 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb3788186 [0,1,0,0,0,0|1,0,2]=4 1037 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb22301544 [0,1,0,0,0,0|1,0,2]=4 1038 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb3788187 [0,1,0,0,0,0|1,0,2]=4 1039 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb22728340 [0,1,0,0,0,0|1,0,2]=4 1040 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb32661063 [0,1,0,0,0,0|1,0,2]=4 1041 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb3788185 [0,1,0,0,0,0|1,0,2]=4 1042 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)Cl Amb27955901 [0,1,0,0,0,0|1,0,2]=4 1043 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb22351110 [0,1,0,0,0,0|0,0,2]=3 1044 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb3940754 [0,1,0,0,0,0|0,0,2]=3 1045 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)S Amb27407796 [0,1,0,0,0,0|0,1,2]=4 1046 B12R1.43 N[C@@H](Cc1ccccn1)C(=O)O Amb8629055 [0,1,0,0,0,0|1,0,2]=4 1047 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb16231985 [0,1,0,0,0,0|1,0,2]=4 1048 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb22008701 [0,1,0,0,0,0|1,0,2]=4 1049 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb8395968 [0,1,0,0,0,0|1,0,2]=4 1050 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb22745959 [0,1,0,0,0,0|1,0,2]=4 1051 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb2699212 [0,1,0,0,0,0|1,0,2]=4 1052 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O Amb2725663 [0,1,0,0,0,0|0,0,2]=3 1053 B12R1.43 N[C@H](Cc1ccccn1)C(=O)O Amb8390365 [0,1,0,0,0,0|1,0,2]=4 1054 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb19930749 [0,1,0,0,0,0|1,0,2]=4 1055 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb22008700 [0,1,0,0,0,0|1,0,2]=4 1056 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb6295898 [0,1,0,0,0,0|1,0,2]=4 1057 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb19944301 [0,1,0,0,0,0|1,0,2]=4 1058 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb6336423 [0,1,0,0,0,0|1,0,2]=4 1059 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,1,0,0,0,0|0,0,0]=1 1060 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,1,0,0,0,0|0,0,0]=1 1062 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,1,0,0,0,0|1,0,0]=2 1063 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.43 O=C(Br)C(Br)Cc1ccccc1 Amb27840480 [0,1,0,0,0,0|1,0,2]=4 1065 B12R1.43 O=C(Cl)C(Br)Cc1ccccc1 Amb21961005 [0,1,0,0,0,0|1,0,2]=4 1066 B12R1.43 O=C(Cl)C(F)Cc1ccccc1 Amb27615534 [0,1,0,0,0,0|1,0,2]=4 1067 B12R1.43 O=C(Cl)C(O)Cc1ccccc1 Amb27632817 [0,1,0,0,0,0|1,0,2]=4 1068 B12R1.43 O=C(Cl)\C(F)=C/c1ccccc1 Amb27416385 [0,1,0,0,0,0|1,0,0]=2 1069 B12R1.43 O=C(O)C(=O)C[n+]1ccccc1 Amb28287668 [0,1,0,0,0,0|1,0,1]=3 1070 B12R1.43 O=C(O)C(=O)Cc1ccccc1 Amb2718694 [0,1,0,0,0,0|0,0,1]=2 1071 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb17477815 [0,1,0,0,0,0|1,0,1]=3 1072 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb32952891 [0,1,0,0,0,0|1,0,1]=3 1073 B12R1.43 O=C(O)C(=O)Cc1cccnc1 Amb17232515 [0,1,0,0,0,0|1,0,1]=3 1074 B12R1.43 O=C(O)C(=O)Cc1ccncc1 Amb17477816 [0,1,0,0,0,0|1,0,1]=3 1075 B12R1.43 O=C(O)C(=O)Cc1ccncn1 Amb27870498 [0,1,0,0,0,0|2,0,1]=4 1076 B12R1.43 O=C(O)C(=O)Cc1cnccn1 Amb33360026 [0,1,0,0,0,0|2,0,1]=4 1077 B12R1.43 O=C(O)C(=O)Cc1cncnc1 Amb26564641 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.43 O=C(O)C(=O)Cc1ncccn1 Amb33270697 [0,1,0,0,0,0|2,0,1]=4 1079 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,1,0,0,0,0|1,0,0]=2 1080 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,1,0,0,0,0|2,0,0]=3 1081 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.43 O=C(O)C(=O)Nc1ncccn1 Amb9303944 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.43 O=C(O)C(=S)Nc1ccccc1 Amb10558556 [0,1,0,0,0,0|1,0,0]=2 1085 B12R1.43 O=C(O)C(=S)Oc1ccccc1 Amb27484078 [0,1,0,0,0,0|1,0,0]=2 1086 B12R1.43 O=C(O)C(Br)Cc1ccccc1 Amb8392806 [0,1,0,0,0,0|0,0,2]=3 1087 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 Amb17204339 [0,1,0,0,0,0|0,0,2]=3 1088 B12R1.43 O=C(O)C(Cl)Sc1ccccc1 Amb27797220 [0,1,0,0,0,0|1,0,1]=3 1089 B12R1.43 O=C(O)C(F)Cc1ccccc1 Amb27863462 [0,1,0,0,0,0|0,0,2]=3 1090 B12R1.43 O=C(O)C(F)Cc1ccncc1 Amb27946336 [0,1,0,0,0,0|1,0,2]=4 1091 B12R1.43 O=C(O)C(F)Sc1ccccn1 Amb28125192 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [0,1,0,0,0,0|0,0,2]=3 1093 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb17138619 [0,1,0,0,0,0|1,0,2]=4 1094 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb35750904 [0,1,0,0,0,0|1,0,2]=4 1095 B12R1.43 O=C(O)C(O)Cc1cccnc1 Amb2699798 [0,1,0,0,0,0|1,0,2]=4 1096 B12R1.43 O=C(O)C(O)Cc1ccncc1 Amb17138620 [0,1,0,0,0,0|1,0,2]=4 1097 B12R1.43 O=C(O)C(O)Oc1ccccc1 Amb27645391 [0,1,0,0,0,0|1,0,1]=3 1098 B12R1.43 O=C(O)C(S)Cc1ccccc1 Amb18289035 [0,1,0,0,0,0|0,0,2]=3 1099 B12R1.43 O=C(O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,1,0,0,0,0|0,0,2]=3 1100 B12R1.43 O=C(O)[C@@H](F)Cc1ccccc1 Amb27983597 [0,1,0,0,0,0|0,0,2]=3 1101 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [0,1,0,0,0,0|0,0,2]=3 1102 B12R1.43 O=C(O)[C@@H](O)Cc1cccnc1 Amb27878615 [0,1,0,0,0,0|1,0,2]=4 1103 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [0,1,0,0,0,0|0,0,2]=3 1104 B12R1.43 O=C(O)[C@H](O)Cc1ccccn1 Amb27165660 [0,1,0,0,0,0|1,0,2]=4 1105 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,1,0,0,0,0|0,0,0]=1 1106 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,1,0,0,0,0|0,0,0]=1 1107 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,1,0,0,0,0|0,0,0]=1 1108 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,1,0,0,0,0|1,0,0]=2 1109 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,1,0,0,0,0|0,0,0]=1 1110 B12R1.43 O=C(O)\C(F)=C\c1ccccn1 Amb27977069 [0,1,0,0,0,0|1,0,0]=2 1111 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,1,0,0,0,0|1,0,0]=2 1112 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,1,0,0,0,0|1,0,0]=2 1113 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,1,0,0,0,0|2,0,0]=3 1114 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,1,0,0,0,0|0,0,0]=1 1115 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,1,0,0,0,0|0,0,0]=1 1116 B12R1.43 O=C(O)\C(S)=C\c1ccccn1 Amb1761004 [0,1,0,0,0,0|1,0,0]=2 1117 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,1,0,0,0,0|1,0,0]=2 1118 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb19884048 [0,1,0,0,0,0|0,0,2]=3 1119 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb6365780 [0,1,0,0,0,0|0,0,2]=3 1120 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb8393076 [0,1,0,0,0,0|0,0,2]=3 1121 B12R1.43 O=C([O-])C(O)Cc1ccccc1 Amb33513053 [0,1,0,0,0,0|0,0,3]=4 1122 B12R1.43 O=[N+]([O-])\C(F)=C\c1ccccc1 Amb27843539 [0,1,0,0,0,0|1,0,1]=3 1123 B12R1.43 OB(O)\C(F)=C\c1ccccc1 Amb25667549 [0,1,0,0,0,0|1,0,1]=3 1124 B12R1.107 C=C(C)CC(=O)c1ccccc1 Amb18563490 [0,1,0,0,0,0|2,0,1]=4 1125 B12R1.107 C=C(CC(C)=O)c1ccccc1 Amb27802448 [0,1,0,0,0,0|1,0,1]=3 1126 B12R1.107 C=C(CC(C)O)c1ccccc1 Amb27486292 [0,1,0,0,0,0|1,0,2]=4 1127 B12R1.107 C=C(NC(C)=O)c1ccccc1 Amb8394362 [0,1,0,0,0,0|2,0,0]=3 1128 B12R1.107 C=C(NC(C)=O)c1ccccn1 Amb28243818 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.107 CC(=N)CC(=O)c1ccccc1 Amb4354188 [0,1,0,0,0,0|2,0,1]=4 1130 B12R1.107 CC(=O)CC(=O)c1ccccc1 Amb534154 [0,1,0,0,0,0|1,0,1]=3 1131 B12R1.107 CC(=O)CC(=O)c1ccccn1 Amb9204928 [0,1,0,0,0,0|2,0,1]=4 1132 B12R1.107 CC(=O)CC(=O)c1cccnc1 Amb33528506 [0,1,0,0,0,0|2,0,1]=4 1133 B12R1.107 CC(=O)CC(=O)c1ccncc1 Amb9204940 [0,1,0,0,0,0|2,0,1]=4 1134 B12R1.107 CC(=O)CC(C)c1ccccc1 Amb5740067 [0,1,0,0,0,0|1,0,2]=4 1135 B12R1.107 CC(=O)CC(O)c1ccccc1 Amb28324943 [0,1,0,0,0,0|1,0,2]=4 1136 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 Amb27802735 [0,1,0,0,0,0|1,0,2]=4 1137 B12R1.107 CC(=O)C[C@H](N)c1ccccc1 Amb27882797 [0,1,0,0,0,0|1,0,2]=4 1138 B12R1.107 CC(=O)NC(C)c1ccccc1 Amb6390965 [0,1,0,0,0,0|2,0,1]=4 1139 B12R1.107 CC(=O)NN(C)c1ccccc1 Amb6400375 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 Amb8516282 [0,1,0,0,0,0|2,0,1]=4 1141 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 Amb2742666 [0,1,0,0,0,0|2,0,1]=4 1142 B12R1.107 CC(=O)OC(C)c1ccccc1 Amb4037062 [0,1,0,0,0,0|2,0,1]=4 1143 B12R1.107 CC(=O)SC(O)c1ccccc1 Amb27775515 [0,1,0,0,0,0|2,0,1]=4 1144 B12R1.107 CC(=O)\C=C(/N)c1ccncc1 Amb27616615 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.107 CC(=O)\C=C(/O)c1ccccn1 Amb24309430 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.107 CC(=O)\C=C(\C)c1ccncn1 Amb27803171 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.107 CC(=O)\C=C(\C)c1cnccn1 Amb28124096 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.107 CC(=O)\C=C(\N)c1cccnc1 Amb27875125 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.107 CC(=O)\C=C(\S)c1ccccc1 Amb27428395 [0,1,0,0,0,0|1,0,0]=2 1150 B12R1.107 CC(=O)\N=C(\N)c1ccccc1 Amb25150972 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.107 CC(C)=CC(=O)c1ccccc1 Amb10874044 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.107 CC(C)=C[C@@H](O)c1ccccc1 Amb27432272 [0,1,0,0,0,0|2,0,1]=4 1153 B12R1.107 CC(CC(=O)Cl)c1ccccc1 Amb2690275 [0,1,0,0,0,0|1,0,2]=4 1154 B12R1.107 CC(CC(=O)O)c1ccccc1 Amb1207393 [0,1,0,0,0,0|0,0,2]=3 1155 B12R1.107 CC(CC(=O)O)c1ccccn1 Amb6749249 [0,1,0,0,0,0|1,0,2]=4 1156 B12R1.107 CC(CC(=O)O)c1cccnc1 Amb6749217 [0,1,0,0,0,0|1,0,2]=4 1157 B12R1.107 CC(CC(=O)O)c1ccncc1 Amb32668732 [0,1,0,0,0,0|1,0,2]=4 1158 B12R1.107 CC(CC(=O)O)c1ccncc1 Amb33528474 [0,1,0,0,0,0|1,0,2]=4 1159 B12R1.107 CC(CC(N)=O)c1ccccc1 Amb3886650 [0,1,0,0,0,0|1,0,2]=4 1160 B12R1.107 CC(NC(N)=O)c1ccccc1 Amb1135151 [0,1,0,0,0,0|2,0,1]=4 1161 B12R1.107 CC(NC(O)=S)c1ccccc1 Amb27614814 [0,1,0,0,0,0|1,1,1]=4 1162 B12R1.107 CC(O)CC(=O)c1ccccc1 Amb27177964 [0,1,0,0,0,0|1,0,2]=4 1163 B12R1.107 CC(O)NC(=S)c1ccccc1 Amb27623264 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.107 CC(O)\C=C(\Cl)c1ccccc1 Amb27451951 [0,1,0,0,0,0|1,0,1]=3 1165 B12R1.107 CC(OC(=O)Cl)c1ccccc1 Amb27181225 [0,1,0,0,0,0|2,0,1]=4 1166 B12R1.107 CN(C)\C=C(/O)c1ccccc1 Amb24068870 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.107 CN(CC(=O)Cl)c1ccccc1 Amb17142999 [0,1,0,0,0,0|2,0,1]=4 1168 B12R1.107 CN(CC(=O)O)c1ccccc1 Amb10610413 [0,1,0,0,0,0|1,0,1]=3 1169 B12R1.107 CN(CC(=O)O)c1ccccc1 Amb4598567 [0,1,0,0,0,0|1,0,1]=3 1170 B12R1.107 CN(CC(=O)O)c1ccccn1 Amb22275945 [0,1,0,0,0,0|2,0,1]=4 1171 B12R1.107 CN(CC(=O)O)c1ccccn1 Amb6261942 [0,1,0,0,0,0|2,0,1]=4 1172 B12R1.107 CN(CC(=O)O)c1cccnc1 Amb18268673 [0,1,0,0,0,0|2,0,1]=4 1173 B12R1.107 CN(CC(=O)O)c1ccncc1 Amb33532730 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.107 CN(CC(N)=O)c1ccccc1 Amb8342086 [0,1,0,0,0,0|2,0,1]=4 1175 B12R1.107 CN(NC(N)=O)c1ccccc1 Amb26620313 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.107 C[C@@H](CC(=O)Cl)c1ccccc1 Amb28139675 [0,1,0,0,0,0|1,0,2]=4 1177 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 Amb10844379 [0,1,0,0,0,0|0,0,2]=3 1178 B12R1.107 C[C@@H](NC(N)=O)c1ccccc1 Amb22232053 [0,1,0,0,0,0|2,0,1]=4 1179 B12R1.107 C[C@@H](OC(=O)Cl)c1ccccc1 Amb33297316 [0,1,0,0,0,0|2,0,1]=4 1180 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 Amb10844340 [0,1,0,0,0,0|0,0,2]=3 1181 B12R1.107 C[C@H](NC(N)=O)c1ccccc1 Amb22232024 [0,1,0,0,0,0|2,0,1]=4 1182 B12R1.107 C[C@H](O)CC(=O)c1ccccc1 Amb27178049 [0,1,0,0,0,0|1,0,2]=4 1183 B12R1.107 C[C@H](OC(=O)Cl)c1ccccc1 Amb33297317 [0,1,0,0,0,0|2,0,1]=4 1184 B12R1.107 C\C(=C/B(O)O)c1ccccc1 Amb27389405 [0,1,0,0,0,0|1,0,1]=3 1185 B12R1.107 C\C(=C/C(=O)O)c1ccccc1 Amb6749182 [0,1,0,0,0,0|0,0,0]=1 1186 B12R1.107 C\C(=C/C(=O)O)c1cccnc1 Amb26839028 [0,1,0,0,0,0|1,0,0]=2 1187 B12R1.107 C\C(=C/C(=O)O)c1ccncc1 Amb34203576 [0,1,0,0,0,0|1,0,0]=2 1188 B12R1.107 C\C(=C/C(=O)O)c1cnccn1 Amb33292425 [0,1,0,0,0,0|2,0,0]=3 1189 B12R1.107 C\C(=C/C(N)=O)c1ccccc1 Amb24648875 [0,1,0,0,0,0|1,0,0]=2 1190 B12R1.107 C\C(=C\C(=O)O)c1ccccn1 Amb24393080 [0,1,0,0,0,0|1,0,0]=2 1191 B12R1.107 C\C(=C\C(=O)O)c1cccnc1 Amb20626498 [0,1,0,0,0,0|1,0,0]=2 1192 B12R1.107 C\C(=C\C(=O)O)c1ccncc1 Amb20626499 [0,1,0,0,0,0|1,0,0]=2 1193 B12R1.107 C\C(=C\C(=O)O)c1cnccn1 Amb27825968 [0,1,0,0,0,0|2,0,0]=3 1194 B12R1.107 C\C(=C\C(C)C)c1ccccc1 Amb4018527 [0,1,0,0,0,0|2,0,1]=4 1195 B12R1.107 C\C(=C\[C@H](C)O)c1ccccc1 Amb27650888 [0,1,0,0,0,0|1,0,1]=3 1196 B12R1.107 C\C(=N\S(C)=O)c1ccccc1 Amb35681678 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.107 C\C(N)=C/C(=O)c1ccccc1 Amb27666841 [0,1,0,0,0,0|2,0,0]=3 1198 B12R1.107 C\C(N)=C/C(=O)c1ccccn1 Amb10242646 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.107 C\C(N)=C\C(=O)c1ccccc1 Amb2386640 [0,1,0,0,0,0|2,0,0]=3 1200 B12R1.107 C\C(N)=C\C(=O)c1cccnc1 Amb28052006 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.107 C\C(N)=C\C(=O)c1ccncc1 Amb26338235 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.107 C\C(N)=C\S(=O)c1ccccc1 Amb26974071 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.107 ClC(Cl)=C=C(Cl)c1ccccc1 Amb4012516 [0,1,0,0,0,0|2,0,1]=4 1204 B12R1.107 N=C(N)CC(=O)c1ccccc1 Amb26371399 [0,1,0,0,0,0|2,0,1]=4 1205 B12R1.107 N=C(N)NC(=O)c1ccccc1 Amb25703047 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.107 N=C(N)SC(=O)c1ccccc1 Amb21955775 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.107 N=C(N)SC(=O)c1ccccc1 Amb9901863 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.107 N=C(NC(N)=O)c1cccnc1 Amb28141853 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.107 NC(=O)CC(=O)c1ccccc1 Amb2734576 [0,1,0,0,0,0|1,0,1]=3 1210 B12R1.107 NC(=O)CC(=S)c1ccccc1 Amb28384134 [0,1,0,0,0,0|1,0,1]=3 1211 B12R1.107 NC(=O)CC(N)c1ccccc1 Amb10609847 [0,1,0,0,0,0|1,0,2]=4 1212 B12R1.107 NC(=O)CC(N)c1ccccc1 Amb10609952 [0,1,0,0,0,0|1,0,2]=4 1213 B12R1.107 NC(=O)CC(N)c1ccccc1 Amb6264599 [0,1,0,0,0,0|1,0,2]=4 1214 B12R1.107 NC(=O)CS(=O)c1ccccc1 Amb26536440 [0,1,0,0,0,0|2,0,1]=4 1215 B12R1.107 NC(=O)C[C@@H](N)c1ccccc1 Amb18792562 [0,1,0,0,0,0|1,0,2]=4 1216 B12R1.107 NC(=O)C[C@@H](N)c1ccccc1 Amb32661465 [0,1,0,0,0,0|1,0,2]=4 1217 B12R1.107 NC(=O)C[C@H](N)c1ccccc1 Amb28129120 [0,1,0,0,0,0|1,0,2]=4 1218 B12R1.107 NC(=O)C[C@H](N)c1ccccc1 Amb32661309 [0,1,0,0,0,0|1,0,2]=4 1219 B12R1.107 NC(=O)NC(=O)c1ccccc1 Amb3989198 [0,1,0,0,0,0|2,0,0]=3 1220 B12R1.107 NC(=O)NC(=O)c1ccccn1 Amb27866159 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.107 NC(=O)\C=C(\O)c1cccnc1 Amb28291337 [0,1,0,0,0,0|2,0,0]=3 1222 B12R1.107 NC(=O)\C=C(\O)c1ccncc1 Amb27165220 [0,1,0,0,0,0|2,0,0]=3 1223 B12R1.107 NC(=O)\C=C(\S)c1ccccc1 Amb27862500 [0,1,0,0,0,0|1,0,0]=2 1224 B12R1.107 NC(=S)CC(=O)c1ccccc1 Amb26430207 [0,1,0,0,0,0|1,1,1]=4 1225 B12R1.107 NC(=S)NC(=O)c1ccccc1 Amb2684614 [0,1,0,0,0,0|2,1,0]=4 1226 B12R1.107 NC(=S)\C=C(/N)c1ccccc1 Amb19374001 [0,1,0,0,0,0|1,1,0]=3 1227 B12R1.107 NC(CC(=O)O)c1ccccc1 Amb8566722 [0,1,0,0,0,0|0,0,2]=3 1228 B12R1.107 NC(CC(=O)O)c1ccccc1 Amb9730098 [0,1,0,0,0,0|0,0,2]=3 1229 B12R1.107 NC(CC(=O)O)c1ccccn1 Amb22898991 [0,1,0,0,0,0|1,0,2]=4 1230 B12R1.107 NC(CC(=O)O)c1ccccn1 Amb2697563 [0,1,0,0,0,0|1,0,2]=4 1231 B12R1.107 NC(CC(=O)O)c1cccnc1 Amb1993735 [0,1,0,0,0,0|1,0,2]=4 1232 B12R1.107 NC(CC(=O)O)c1ccncc1 Amb2697359 [0,1,0,0,0,0|1,0,2]=4 1233 B12R1.107 NC(CC(=O)O)c1ccncc1 Amb32666622 [0,1,0,0,0,0|1,0,2]=4 1234 B12R1.107 NC(N)=CC(=O)c1ccccc1 Amb25108111 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.107 NN(CC(=O)O)c1ccccc1 Amb22757137 [0,1,0,0,0,0|1,0,1]=3 1236 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 Amb8384247 [0,1,0,0,0,0|0,0,2]=3 1237 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 Amb8396895 [0,1,0,0,0,0|0,0,2]=3 1238 B12R1.107 N[C@@H](CC(=O)O)c1ccccn1 Amb20241102 [0,1,0,0,0,0|1,0,2]=4 1239 B12R1.107 N[C@@H](CC(=O)O)c1cccnc1 Amb35788157 [0,1,0,0,0,0|1,0,2]=4 1240 B12R1.107 N[C@@H](CC(=O)O)c1cccnc1 Amb8627845 [0,1,0,0,0,0|1,0,2]=4 1241 B12R1.107 N[C@@H](CC(=O)O)c1ccncc1 Amb20240885 [0,1,0,0,0,0|1,0,2]=4 1242 B12R1.107 N[C@H](CC(=O)O)c1ccccc1 Amb4296884 [0,1,0,0,0,0|0,0,2]=3 1243 B12R1.107 N[C@H](CC(=O)O)c1ccccc1 Amb6365358 [0,1,0,0,0,0|0,0,2]=3 1244 B12R1.107 N[C@H](CC(=O)O)c1ccccn1 Amb20241101 [0,1,0,0,0,0|1,0,2]=4 1245 B12R1.107 N[C@H](CC(=O)O)c1cccnc1 Amb35788756 [0,1,0,0,0,0|1,0,2]=4 1246 B12R1.107 N[C@H](CC(=O)O)c1cccnc1 Amb8627846 [0,1,0,0,0,0|1,0,2]=4 1247 B12R1.107 N[C@H](CC(=O)O)c1ccncc1 Amb20241136 [0,1,0,0,0,0|1,0,2]=4 1248 B12R1.107 O=C(C=C(Cl)Cl)c1ccccc1 Amb27753874 [0,1,0,0,0,0|2,0,0]=3 1249 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 Amb3687238 [0,1,0,0,0,0|1,0,2]=4 1250 B12R1.107 O=C(O)CC(=S)c1ccccc1 Amb27433886 [0,1,0,0,0,0|0,0,1]=2 1251 B12R1.107 O=C(O)CC(Br)c1ccccc1 Amb2721208 [0,1,0,0,0,0|0,0,2]=3 1252 B12R1.107 O=C(O)CC(Br)c1ccccn1 Amb17596297 [0,1,0,0,0,0|1,0,2]=4 1253 B12R1.107 O=C(O)CC(Cl)c1ccccc1 Amb18120400 [0,1,0,0,0,0|0,0,2]=3 1254 B12R1.107 O=C(O)CC(Cl)c1ccccn1 Amb18120042 [0,1,0,0,0,0|1,0,2]=4 1255 B12R1.107 O=C(O)CC(O)c1ccccc1 Amb2697927 [0,1,0,0,0,0|0,0,2]=3 1256 B12R1.107 O=C(O)CC(O)c1ccccn1 Amb18563782 [0,1,0,0,0,0|1,0,2]=4 1257 B12R1.107 O=C(O)CC(O)c1ccncc1 Amb18563783 [0,1,0,0,0,0|1,0,2]=4 1258 B12R1.107 O=C(O)CN(Cl)c1ccccc1 Amb27984830 [0,1,0,0,0,0|1,0,1]=3 1259 B12R1.107 O=C(O)CN(O)c1ccccc1 Amb27984844 [0,1,0,0,0,0|1,0,1]=3 1260 B12R1.107 O=C(O)CS(=O)c1ccccc1 Amb18290924 [0,1,0,0,0,0|1,0,1]=3 1261 B12R1.107 O=C(O)CS(=O)c1ccncc1 Amb28321121 [0,1,0,0,0,0|2,0,1]=4 1262 B12R1.107 O=C(O)C[C@@H](O)c1ccccc1 Amb8516664 [0,1,0,0,0,0|0,0,2]=3 1263 B12R1.107 O=C(O)C[C@@H](O)c1ccccn1 Amb33360785 [0,1,0,0,0,0|1,0,2]=4 1264 B12R1.107 O=C(O)C[C@@H](O)c1cccnc1 Amb33360064 [0,1,0,0,0,0|1,0,2]=4 1265 B12R1.107 O=C(O)C[C@@H](O)c1ccncc1 Amb33380661 [0,1,0,0,0,0|1,0,2]=4 1266 B12R1.107 O=C(O)C[C@H](O)c1ccccc1 Amb6357183 [0,1,0,0,0,0|0,0,2]=3 1267 B12R1.107 O=C(O)C[C@H](O)c1ccccn1 Amb33360787 [0,1,0,0,0,0|1,0,2]=4 1268 B12R1.107 O=C(O)C[C@H](O)c1cccnc1 Amb33360065 [0,1,0,0,0,0|1,0,2]=4 1269 B12R1.107 O=C(O)C[C@H](O)c1ccncc1 Amb33380662 [0,1,0,0,0,0|1,0,2]=4 1270 B12R1.107 O=C(O)\C=C(/Cl)c1ccccc1 Amb17594707 [0,1,0,0,0,0|0,0,0]=1 1271 B12R1.107 O=C(O)\C=C(/I)c1ccccc1 Amb33620462 [0,1,0,0,0,0|0,0,0]=1 1272 B12R1.107 O=C(O)\C=C(\O)c1ccccc1 Amb28052099 [0,1,0,0,0,0|0,0,0]=1 1273 B12R1.107 O=C(S)CC(O)c1ccccc1 Amb27197171 [0,1,0,0,0,0|0,1,2]=4 1274 B12R1.107 O=S(C=C(Cl)Cl)c1ccccc1 Amb24483631 [0,1,0,0,0,0|3,0,0]=4 1275 B12R1.107 O=S([O-])\C=C(/F)c1ccccc1 Amb32754936 [0,1,0,0,0,0|1,0,1]=3 1276 B12R1.107 OC(C=C(F)F)c1ccccc1 Amb28244314 [0,1,0,0,0,0|2,0,1]=4 1277 B12R1.125 C=C(C)\C=C\c1ccccc1N Amb27627468 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.125 C=C(C)\C=C\c1ccccc1O Amb25915366 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.125 CC(=O)C#Cc1ccccc1C Amb23438225 [0,1,0,0,0,0|1,0,2]=4 1280 B12R1.125 CC(=O)CCc1ccccc1Br Amb9031563 [0,1,0,0,0,0|1,0,2]=4 1281 B12R1.125 CC(=O)CCc1ccccc1C Amb9031558 [0,1,0,0,0,0|1,0,2]=4 1282 B12R1.125 CC(=O)CCc1ccccc1Cl Amb9031570 [0,1,0,0,0,0|1,0,2]=4 1283 B12R1.125 CC(=O)CCc1ccccc1F Amb9031573 [0,1,0,0,0,0|1,0,2]=4 1284 B12R1.125 CC(=O)CCc1ccccc1N Amb27246247 [0,1,0,0,0,0|1,0,2]=4 1285 B12R1.125 CC(=O)CCc1ccccc1O Amb17507153 [0,1,0,0,0,0|1,0,2]=4 1286 B12R1.125 CC(=O)CNc1ccccc1C Amb25062983 [0,1,0,0,0,0|2,0,1]=4 1287 B12R1.125 CC(=O)COc1ccccc1Br Amb17226707 [0,1,0,0,0,0|2,0,1]=4 1288 B12R1.125 CC(=O)COc1ccccc1F Amb9269602 [0,1,0,0,0,0|2,0,1]=4 1289 B12R1.125 CC(=O)COc1ccccc1N Amb17110085 [0,1,0,0,0,0|2,0,1]=4 1290 B12R1.125 CC(=O)CSc1ccccc1Br Amb9229574 [0,1,0,0,0,0|2,0,1]=4 1291 B12R1.125 CC(=O)CSc1ccccc1C Amb18796318 [0,1,0,0,0,0|2,0,1]=4 1292 B12R1.125 CC(=O)CSc1ccccc1Cl Amb4744662 [0,1,0,0,0,0|2,0,1]=4 1293 B12R1.125 CC(=O)CSc1ccccc1F Amb9268572 [0,1,0,0,0,0|2,0,1]=4 1294 B12R1.125 CC(=O)CSc1ccccc1N Amb17305639 [0,1,0,0,0,0|2,0,1]=4 1295 B12R1.125 CC(=O)NCc1ccccc1Br Amb2134482 [0,1,0,0,0,0|2,0,1]=4 1296 B12R1.125 CC(=O)NCc1ccccc1Cl Amb3094828 [0,1,0,0,0,0|2,0,1]=4 1297 B12R1.125 CC(=O)NCc1ccccc1F Amb2020110 [0,1,0,0,0,0|2,0,1]=4 1298 B12R1.125 CC(=O)NCc1ccccc1O Amb18646279 [0,1,0,0,0,0|2,0,1]=4 1299 B12R1.125 CC(=O)NNc1ccccc1C Amb4362488 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.125 CC(=O)NNc1ccccc1F Amb27414447 [0,1,0,0,0,0|3,0,0]=4 1301 B12R1.125 CC(=O)NNc1ccccc1N Amb18646313 [0,1,0,0,0,0|3,0,0]=4 1302 B12R1.125 CC(=O)OCc1ccccc1C Amb17778968 [0,1,0,0,0,0|2,0,1]=4 1303 B12R1.125 CC(=O)OCc1ccccc1N Amb27985013 [0,1,0,0,0,0|2,0,1]=4 1304 B12R1.125 CC(=O)SCc1ccccc1Cl Amb27767953 [0,1,0,0,0,0|2,0,1]=4 1305 B12R1.125 CC(=O)\C=C\C1=CC=CNC1=O Amb25780424 [0,1,0,0,0,0|2,0,0]=3 1306 B12R1.125 CC(=O)\C=C\c1cccc[n+]1C Amb3428953 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.125 CC(=O)\C=C\c1ccccc1Br Amb18068027 [0,1,0,0,0,0|1,0,0]=2 1308 B12R1.125 CC(=O)\C=C\c1ccccc1C Amb32954781 [0,1,0,0,0,0|1,0,0]=2 1309 B12R1.125 CC(=O)\C=C\c1ccccc1Cl Amb2724535 [0,1,0,0,0,0|1,0,0]=2 1310 B12R1.125 CC(=O)\C=C\c1ccccc1F Amb18563599 [0,1,0,0,0,0|1,0,0]=2 1311 B12R1.125 CC(=O)\C=C\c1ccccc1N Amb25975457 [0,1,0,0,0,0|1,0,0]=2 1312 B12R1.125 CC(=O)\C=C\c1ccccc1O Amb24065680 [0,1,0,0,0,0|1,0,0]=2 1313 B12R1.125 CC(=O)\C=C\c1cccnc1Br Amb33388125 [0,1,0,0,0,0|2,0,0]=3 1314 B12R1.125 CC(=O)\C=C\c1cccnc1C Amb32878339 [0,1,0,0,0,0|2,0,0]=3 1315 B12R1.125 CC(=O)\C=C\c1cccnc1Cl Amb33257396 [0,1,0,0,0,0|2,0,0]=3 1316 B12R1.125 CC(=O)\C=C\c1cccnc1F Amb33377142 [0,1,0,0,0,0|2,0,0]=3 1317 B12R1.125 CC(=O)\C=C\c1ccncc1Br Amb33388703 [0,1,0,0,0,0|2,0,0]=3 1318 B12R1.125 CC(=O)\C=C\c1ccncc1C Amb33426426 [0,1,0,0,0,0|2,0,0]=3 1319 B12R1.125 CC(=O)\C=C\c1ccncc1Cl Amb33413822 [0,1,0,0,0,0|2,0,0]=3 1320 B12R1.125 CC(=O)\C=C\c1ccncc1F Amb33316817 [0,1,0,0,0,0|2,0,0]=3 1321 B12R1.125 CC(=O)\C=C\c1cnccc1C Amb33474389 [0,1,0,0,0,0|2,0,0]=3 1322 B12R1.125 CC(=O)\C=C\c1cncnc1C Amb33149095 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.125 CC(=O)\C=C\c1ncccc1Br Amb33336115 [0,1,0,0,0,0|2,0,0]=3 1324 B12R1.125 CC(=O)\C=C\c1ncccc1C Amb33360223 [0,1,0,0,0,0|2,0,0]=3 1325 B12R1.125 CC(=O)\C=C\c1ncccc1F Amb33419610 [0,1,0,0,0,0|2,0,0]=3 1326 B12R1.125 CC(=O)\C=C\c1nccnc1C Amb35601038 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.125 CC(=O)\N=C/c1ccccc1Cl Amb27616938 [0,1,0,0,0,0|2,0,0]=3 1328 B12R1.125 CC(=O)\N=C\c1ccccc1O Amb27592432 [0,1,0,0,0,0|2,0,0]=3 1329 B12R1.125 CC(C)=CCc1ccccc1O Amb24357144 [0,1,0,0,0,0|2,0,1]=4 1330 B12R1.125 CC(N)\C=C\c1ccccc1Br Amb33242295 [0,1,0,0,0,0|2,0,1]=4 1331 B12R1.125 CC(N)\C=C\c1ccccc1Cl Amb33406514 [0,1,0,0,0,0|2,0,1]=4 1332 B12R1.125 CC(N)\C=C\c1ccccc1F Amb33448885 [0,1,0,0,0,0|2,0,1]=4 1333 B12R1.125 CC(N)\C=C\c1ccccc1O Amb33429328 [0,1,0,0,0,0|2,0,1]=4 1334 B12R1.125 CC(O)\C=C\c1ccccc1Br Amb25086864 [0,1,0,0,0,0|1,0,1]=3 1335 B12R1.125 CC(O)\C=C\c1ccccc1Cl Amb26073532 [0,1,0,0,0,0|1,0,1]=3 1336 B12R1.125 CC(O)\C=C\c1ccccc1F Amb26539993 [0,1,0,0,0,0|1,0,1]=3 1337 B12R1.125 CN1C=CC=C\C1=N/CC(=O)O Amb26390980 [0,1,0,0,0,0|2,0,1]=4 1338 B12R1.125 CS(=O)\C=C/c1ccccc1N Amb28254539 [0,1,0,0,0,0|2,0,0]=3 1339 B12R1.125 CS(=O)\N=C\c1ccccc1Br Amb35718864 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.125 CS(=O)\N=C\c1ccccc1Cl Amb35681665 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.125 CS(=O)\N=C\c1ccccc1F Amb29858758 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.125 Cc1cccc[n+]1CCC(=O)O Amb31127611 [0,1,0,0,0,0|1,0,2]=4 1343 B12R1.125 Cc1cccc[n+]1\C=C\C(=O)O Amb28366211 [0,1,0,0,0,0|1,0,0]=2 1344 B12R1.125 Cc1ccccc1C#CC(=O)O Amb20673097 [0,1,0,0,0,0|0,0,2]=3 1345 B12R1.125 Cc1ccccc1CCC(=O)Cl Amb19066206 [0,1,0,0,0,0|1,0,2]=4 1346 B12R1.125 Cc1ccccc1CCC(=O)O Amb2689629 [0,1,0,0,0,0|0,0,2]=3 1347 B12R1.125 Cc1ccccc1CCC(N)=O Amb17400134 [0,1,0,0,0,0|1,0,2]=4 1348 B12R1.125 Cc1ccccc1CNC(=O)Cl Amb35625504 [0,1,0,0,0,0|2,0,1]=4 1349 B12R1.125 Cc1ccccc1COC(=O)Cl Amb27416351 [0,1,0,0,0,0|2,0,1]=4 1350 B12R1.125 Cc1ccccc1NCC(=O)Cl Amb27400550 [0,1,0,0,0,0|2,0,1]=4 1351 B12R1.125 Cc1ccccc1NCC(=O)O Amb1258286 [0,1,0,0,0,0|1,0,1]=3 1352 B12R1.125 Cc1ccccc1NCC(N)=O Amb845279 [0,1,0,0,0,0|2,0,1]=4 1353 B12R1.125 Cc1ccccc1NNC(N)=O Amb3378061 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.125 Cc1ccccc1OCC(=O)Cl Amb10880009 [0,1,0,0,0,0|2,0,1]=4 1355 B12R1.125 Cc1ccccc1OCC(=O)O Amb1215022 [0,1,0,0,0,0|1,0,1]=3 1356 B12R1.125 Cc1ccccc1OCC(N)=O Amb6334508 [0,1,0,0,0,0|2,0,1]=4 1357 B12R1.125 Cc1ccccc1SCC(=O)O Amb1205492 [0,1,0,0,0,0|1,0,1]=3 1358 B12R1.125 Cc1ccccc1\C=C/C(=O)O Amb27871584 [0,1,0,0,0,0|0,0,0]=1 1359 B12R1.125 Cc1ccccc1\C=C/[N+](=O)[O-] Amb24537629 [0,1,0,0,0,0|1,0,1]=3 1360 B12R1.125 Cc1ccccc1\C=C\B(O)O Amb22011802 [0,1,0,0,0,0|1,0,1]=3 1361 B12R1.125 Cc1ccccc1\C=C\C(=O)Cl Amb2690621 [0,1,0,0,0,0|1,0,0]=2 1362 B12R1.125 Cc1ccccc1\C=C\C(=O)O Amb6555165 [0,1,0,0,0,0|0,0,0]=1 1363 B12R1.125 Cc1ccccc1\C=C\C(C)N Amb33475216 [0,1,0,0,0,0|2,0,1]=4 1364 B12R1.125 Cc1ccccc1\C=C\C(C)O Amb27748478 [0,1,0,0,0,0|1,0,1]=3 1365 B12R1.125 Cc1ccccc1\C=C\C(N)=O Amb8997714 [0,1,0,0,0,0|1,0,0]=2 1366 B12R1.125 Cc1ccccc1\C=C\[N+](=O)[O-] Amb33868901 [0,1,0,0,0,0|1,0,1]=3 1367 B12R1.125 Cc1ccccc1\C=N\S(C)=O Amb29858776 [0,1,0,0,0,0|3,0,0]=4 1368 B12R1.125 Cc1cccnc1C#CC(=O)O Amb28281122 [0,1,0,0,0,0|1,0,2]=4 1369 B12R1.125 Cc1cccnc1CCC(=O)O Amb8009794 [0,1,0,0,0,0|1,0,2]=4 1370 B12R1.125 Cc1cccnc1OCC(=O)O Amb25154207 [0,1,0,0,0,0|2,0,1]=4 1371 B12R1.125 Cc1cccnc1SCC(=O)O Amb18989775 [0,1,0,0,0,0|2,0,1]=4 1372 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb30584981 [0,1,0,0,0,0|1,0,0]=2 1373 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb32990226 [0,1,0,0,0,0|1,0,0]=2 1374 B12R1.125 Cc1cccnc1\C=C\C(N)=O Amb28127171 [0,1,0,0,0,0|2,0,0]=3 1375 B12R1.125 Cc1cccnc1\C=C\[N+](=O)[O-] Amb33428733 [0,1,0,0,0,0|2,0,1]=4 1376 B12R1.125 Cc1ccncc1CCC(=O)O Amb18828438 [0,1,0,0,0,0|1,0,2]=4 1377 B12R1.125 Cc1ccncc1OCC(=O)O Amb32946290 [0,1,0,0,0,0|2,0,1]=4 1378 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb17844101 [0,1,0,0,0,0|1,0,0]=2 1379 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb32718732 [0,1,0,0,0,0|1,0,0]=2 1380 B12R1.125 Cc1ccncc1\C=C\[N+](=O)[O-] Amb28186702 [0,1,0,0,0,0|2,0,1]=4 1381 B12R1.125 Cc1cnccc1CCC(=O)O Amb8009991 [0,1,0,0,0,0|1,0,2]=4 1382 B12R1.125 Cc1cnccc1NCC(=O)O Amb27393345 [0,1,0,0,0,0|2,0,1]=4 1383 B12R1.125 Cc1cnccc1OCC(=O)O Amb25705533 [0,1,0,0,0,0|2,0,1]=4 1384 B12R1.125 Cc1cnccc1\C=C\C(=O)O Amb30584980 [0,1,0,0,0,0|1,0,0]=2 1385 B12R1.125 Cc1cnccc1\C=C\[N+](=O)[O-] Amb33414324 [0,1,0,0,0,0|2,0,1]=4 1386 B12R1.125 Cc1ncccc1CCC(=O)O Amb18853387 [0,1,0,0,0,0|1,0,2]=4 1387 B12R1.125 Cc1ncccc1CCC(=O)O Amb31307907 [0,1,0,0,0,0|1,0,2]=4 1388 B12R1.125 Cc1ncccc1OCC(=O)O Amb24729073 [0,1,0,0,0,0|2,0,1]=4 1389 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb28653059 [0,1,0,0,0,0|1,0,0]=2 1390 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb32662803 [0,1,0,0,0,0|1,0,0]=2 1391 B12R1.125 Cc1ncccc1\C=C\[N+](=O)[O-] Amb32878958 [0,1,0,0,0,0|2,0,1]=4 1392 B12R1.125 Cc1nccnc1\C=C\C(=O)O Amb35600937 [0,1,0,0,0,0|2,0,0]=3 1393 B12R1.125 Cc1ncncc1\C=C\C(=O)O Amb27193885 [0,1,0,0,0,0|2,0,0]=3 1394 B12R1.125 Cc1nnccc1\C=C\C(=O)O Amb33470115 [0,1,0,0,0,0|2,0,0]=3 1395 B12R1.125 NC(=O)CCc1ccccc1Br Amb11468216 [0,1,0,0,0,0|1,0,2]=4 1396 B12R1.125 NC(=O)CCc1ccccc1Cl Amb2142514 [0,1,0,0,0,0|1,0,2]=4 1397 B12R1.125 NC(=O)CCc1ccccc1F Amb8341221 [0,1,0,0,0,0|1,0,2]=4 1398 B12R1.125 NC(=O)CCc1ccccc1N Amb8941622 [0,1,0,0,0,0|1,0,2]=4 1399 B12R1.125 NC(=O)CCc1ccccc1O Amb2695332 [0,1,0,0,0,0|1,0,2]=4 1400 B12R1.125 NC(=O)CNc1ccccc1Br Amb6712122 [0,1,0,0,0,0|2,0,1]=4 1401 B12R1.125 NC(=O)CNc1ccccc1Cl Amb500616 [0,1,0,0,0,0|2,0,1]=4 1402 B12R1.125 NC(=O)CNc1ccccc1F Amb6712534 [0,1,0,0,0,0|2,0,1]=4 1403 B12R1.125 NC(=O)CNc1ccccc1O Amb28323151 [0,1,0,0,0,0|2,0,1]=4 1404 B12R1.125 NC(=O)COc1ccccc1Br Amb1174441 [0,1,0,0,0,0|2,0,1]=4 1405 B12R1.125 NC(=O)COc1ccccc1Cl Amb3738387 [0,1,0,0,0,0|2,0,1]=4 1406 B12R1.125 NC(=O)COc1ccccc1F Amb8335270 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.125 NC(=O)COc1ccccc1I Amb15712041 [0,1,0,0,0,0|2,0,1]=4 1408 B12R1.125 NC(=O)COc1ccccc1N Amb6662641 [0,1,0,0,0,0|2,0,1]=4 1409 B12R1.125 NC(=O)COc1ccccc1O Amb8505284 [0,1,0,0,0,0|2,0,1]=4 1410 B12R1.125 NC(=O)CSc1ccccc1Cl Amb4534168 [0,1,0,0,0,0|2,0,1]=4 1411 B12R1.125 NC(=O)CSc1ccccc1N Amb1215630 [0,1,0,0,0,0|2,0,1]=4 1412 B12R1.125 NC(=O)CSc1ccccc1O Amb19045199 [0,1,0,0,0,0|2,0,1]=4 1413 B12R1.125 NC(=O)NCc1ccccc1Cl Amb2435051 [0,1,0,0,0,0|2,0,1]=4 1414 B12R1.125 NC(=O)NCc1ccccc1F Amb1141051 [0,1,0,0,0,0|2,0,1]=4 1415 B12R1.125 NC(=O)NCc1ccccc1O Amb27401863 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.125 NC(=O)NNc1ccccc1F Amb26495079 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.125 NC(=O)OCc1ccccc1Cl Amb27233024 [0,1,0,0,0,0|2,0,1]=4 1418 B12R1.125 NC(=O)OCc1ccccc1F Amb27770205 [0,1,0,0,0,0|2,0,1]=4 1419 B12R1.125 NC(=O)\C=C\c1ccccc1Br Amb8997717 [0,1,0,0,0,0|1,0,0]=2 1420 B12R1.125 NC(=O)\C=C\c1ccccc1F Amb8997697 [0,1,0,0,0,0|1,0,0]=2 1421 B12R1.125 NC(=O)\C=C\c1ccccc1I Amb26608900 [0,1,0,0,0,0|1,0,0]=2 1422 B12R1.125 NC(=O)\C=C\c1ccccc1N Amb28202728 [0,1,0,0,0,0|1,0,0]=2 1423 B12R1.125 NC(=O)\C=C\c1ccccc1O Amb18645808 [0,1,0,0,0,0|1,0,0]=2 1424 B12R1.125 NC(=O)\C=C\c1cnccc1N Amb27878871 [0,1,0,0,0,0|2,0,0]=3 1425 B12R1.125 NC(=O)\N=C\c1ccccc1O Amb27256381 [0,1,0,0,0,0|2,0,0]=3 1426 B12R1.125 NC(=O)\N=N\c1ccccc1F Amb27409027 [0,1,0,0,0,0|3,0,0]=4 1427 B12R1.125 NC(=O)\N=N\c1ccccc1O Amb24341737 [0,1,0,0,0,0|3,0,0]=4 1428 B12R1.125 NC(=S)\C=C\c1ccccc1Cl Amb27984695 [0,1,0,0,0,0|1,1,0]=3 1429 B12R1.125 NC(=S)\C=C\c1ccccc1O Amb27399525 [0,1,0,0,0,0|1,1,0]=3 1430 B12R1.125 Nc1ccccc1C#CC(=O)O Amb24355867 [0,1,0,0,0,0|0,0,2]=3 1431 B12R1.125 Nc1ccccc1CCC(=O)O Amb17477727 [0,1,0,0,0,0|0,0,2]=3 1432 B12R1.125 Nc1ccccc1CCC(=O)O Amb24118035 [0,1,0,0,0,0|0,0,2]=3 1433 B12R1.125 Nc1ccccc1CCC(=O)[O-] Amb34189651 [0,1,0,0,0,0|0,0,3]=4 1434 B12R1.125 Nc1ccccc1NCS(=O)O Amb27986124 [0,1,0,0,0,0|2,0,1]=4 1435 B12R1.125 Nc1ccccc1OCC(=O)O Amb4065760 [0,1,0,0,0,0|1,0,1]=3 1436 B12R1.125 Nc1ccccc1OCC(=O)[O-] Amb21972214 [0,1,0,0,0,0|1,0,2]=4 1437 B12R1.125 Nc1ccccc1SCC(=O)Cl Amb28073003 [0,1,0,0,0,0|2,0,1]=4 1438 B12R1.125 Nc1ccccc1SCC(=O)O Amb6267584 [0,1,0,0,0,0|1,0,1]=3 1439 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [0,1,0,0,0,0|0,0,0]=1 1440 B12R1.125 Nc1cccnc1NCC(=O)O Amb18989766 [0,1,0,0,0,0|2,0,1]=4 1441 B12R1.125 Nc1cnccc1NCC(=O)O Amb18987716 [0,1,0,0,0,0|2,0,1]=4 1442 B12R1.125 Nc1cnccc1\C=C\C(=O)O Amb4560900 [0,1,0,0,0,0|1,0,0]=2 1443 B12R1.125 Nc1ncccc1\C=C\C(=O)O Amb2697575 [0,1,0,0,0,0|1,0,0]=2 1444 B12R1.125 O=C(Br)COc1ccccc1Cl Amb27481125 [0,1,0,0,0,0|2,0,1]=4 1445 B12R1.125 O=C(Cl)CCc1ccccc1Br Amb19888630 [0,1,0,0,0,0|1,0,2]=4 1446 B12R1.125 O=C(Cl)CCc1ccccc1Cl Amb25061965 [0,1,0,0,0,0|1,0,2]=4 1447 B12R1.125 O=C(Cl)CCc1ccccc1F Amb10838958 [0,1,0,0,0,0|1,0,2]=4 1448 B12R1.125 O=C(Cl)CNc1ccccc1Cl Amb28239488 [0,1,0,0,0,0|2,0,1]=4 1449 B12R1.125 O=C(Cl)COc1ccccc1Br Amb16230053 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.125 O=C(Cl)COc1ccccc1Cl Amb16230049 [0,1,0,0,0,0|2,0,1]=4 1451 B12R1.125 O=C(Cl)COc1ccccc1F Amb10880012 [0,1,0,0,0,0|2,0,1]=4 1452 B12R1.125 O=C(Cl)CSc1ccccc1Cl Amb17143819 [0,1,0,0,0,0|2,0,1]=4 1453 B12R1.125 O=C(Cl)NCc1ccccc1Br Amb35625598 [0,1,0,0,0,0|2,0,1]=4 1454 B12R1.125 O=C(Cl)NCc1ccccc1Cl Amb35637057 [0,1,0,0,0,0|2,0,1]=4 1455 B12R1.125 O=C(Cl)NCc1ccccc1F Amb35625946 [0,1,0,0,0,0|2,0,1]=4 1456 B12R1.125 O=C(Cl)OCc1ccccc1Br Amb20620406 [0,1,0,0,0,0|2,0,1]=4 1457 B12R1.125 O=C(Cl)OCc1ccccc1F Amb25039104 [0,1,0,0,0,0|2,0,1]=4 1458 B12R1.125 O=C(Cl)\C=C/c1ccccc1Cl Amb10070071 [0,1,0,0,0,0|1,0,0]=2 1459 B12R1.125 O=C(Cl)\C=C\c1ccccc1Br Amb16230254 [0,1,0,0,0,0|1,0,0]=2 1460 B12R1.125 O=C(Cl)\C=C\c1ccccc1Cl Amb8629219 [0,1,0,0,0,0|1,0,0]=2 1461 B12R1.125 O=C(Cl)\C=C\c1ccccc1F Amb2688309 [0,1,0,0,0,0|1,0,0]=2 1462 B12R1.125 O=C(O)C#CC1=CNC=CC1=O Amb27390530 [0,1,0,0,0,0|1,0,2]=4 1463 B12R1.125 O=C(O)C#Cc1ccccc1Br Amb25266206 [0,1,0,0,0,0|0,0,2]=3 1464 B12R1.125 O=C(O)C#Cc1ccccc1Cl Amb2616696 [0,1,0,0,0,0|0,0,2]=3 1465 B12R1.125 O=C(O)C#Cc1ccccc1F Amb7172545 [0,1,0,0,0,0|0,0,2]=3 1466 B12R1.125 O=C(O)C#Cc1ccccc1O Amb25921689 [0,1,0,0,0,0|0,0,2]=3 1467 B12R1.125 O=C(O)C#Cc1ccncc1Cl Amb28204531 [0,1,0,0,0,0|1,0,2]=4 1468 B12R1.125 O=C(O)CCC1=CNC=CC1=O Amb33470235 [0,1,0,0,0,0|1,0,2]=4 1469 B12R1.125 O=C(O)CCN1C=CC=CC1=O Amb18534261 [0,1,0,0,0,0|1,0,2]=4 1470 B12R1.125 O=C(O)CCN1C=CC=CC1=S Amb28076674 [0,1,0,0,0,0|1,0,2]=4 1471 B12R1.125 O=C(O)CCc1ccccc1Br Amb2685458 [0,1,0,0,0,0|0,0,2]=3 1472 B12R1.125 O=C(O)CCc1ccccc1Cl Amb1209214 [0,1,0,0,0,0|0,0,2]=3 1473 B12R1.125 O=C(O)CCc1ccccc1F Amb6336154 [0,1,0,0,0,0|0,0,2]=3 1474 B12R1.125 O=C(O)CCc1ccccc1I Amb10071543 [0,1,0,0,0,0|0,0,2]=3 1475 B12R1.125 O=C(O)CCc1ccccc1O Amb1211927 [0,1,0,0,0,0|0,0,2]=3 1476 B12R1.125 O=C(O)CCc1ccccc1S Amb18648646 [0,1,0,0,0,0|0,0,2]=3 1477 B12R1.125 O=C(O)CCc1cccnc1Br Amb24525068 [0,1,0,0,0,0|1,0,2]=4 1478 B12R1.125 O=C(O)CCc1cccnc1Cl Amb24484270 [0,1,0,0,0,0|1,0,2]=4 1479 B12R1.125 O=C(O)CCc1cccnc1F Amb25295347 [0,1,0,0,0,0|1,0,2]=4 1480 B12R1.125 O=C(O)CCc1ccncc1Br Amb33242388 [0,1,0,0,0,0|1,0,2]=4 1481 B12R1.125 O=C(O)CCc1ccncc1Cl Amb23596515 [0,1,0,0,0,0|1,0,2]=4 1482 B12R1.125 O=C(O)CCc1ccncc1F Amb26644078 [0,1,0,0,0,0|1,0,2]=4 1483 B12R1.125 O=C(O)CCc1ccncc1O Amb27201932 [0,1,0,0,0,0|1,0,2]=4 1484 B12R1.125 O=C(O)CCc1ncccc1Br Amb25898946 [0,1,0,0,0,0|1,0,2]=4 1485 B12R1.125 O=C(O)CCc1ncccc1Cl Amb33470280 [0,1,0,0,0,0|1,0,2]=4 1486 B12R1.125 O=C(O)CCc1ncccc1F Amb25311377 [0,1,0,0,0,0|1,0,2]=4 1487 B12R1.125 O=C(O)CCc1ncccc1O Amb28249996 [0,1,0,0,0,0|1,0,2]=4 1488 B12R1.125 O=C(O)CNc1ccccc1Br Amb840526 [0,1,0,0,0,0|1,0,1]=3 1489 B12R1.125 O=C(O)CNc1ccccc1Cl Amb33528017 [0,1,0,0,0,0|1,0,1]=3 1490 B12R1.125 O=C(O)CNc1ccccc1F Amb840521 [0,1,0,0,0,0|1,0,1]=3 1491 B12R1.125 O=C(O)CNc1ccccc1O Amb842591 [0,1,0,0,0,0|1,0,1]=3 1492 B12R1.125 O=C(O)CNc1cccnc1Cl Amb27770209 [0,1,0,0,0,0|2,0,1]=4 1493 B12R1.125 O=C(O)CNc1ccncc1Br Amb27826042 [0,1,0,0,0,0|2,0,1]=4 1494 B12R1.125 O=C(O)CNc1ccncc1F Amb30036425 [0,1,0,0,0,0|2,0,1]=4 1495 B12R1.125 O=C(O)CNc1cnccc1Cl Amb22495942 [0,1,0,0,0,0|2,0,1]=4 1496 B12R1.125 O=C(O)CNc1ncccc1Cl Amb2372425 [0,1,0,0,0,0|2,0,1]=4 1497 B12R1.125 O=C(O)CNc1ncccc1O Amb25891362 [0,1,0,0,0,0|2,0,1]=4 1498 B12R1.125 O=C(O)COC1=CC=CCC1=S Amb28366613 [0,1,0,0,0,0|1,0,2]=4 1499 B12R1.125 O=C(O)COC1=CC=CNC1=O Amb32946096 [0,1,0,0,0,0|2,0,1]=4 1500 B12R1.125 O=C(O)COC1=CNC=CC1=O Amb27985853 [0,1,0,0,0,0|2,0,1]=4 1501 B12R1.125 O=C(O)COC1=COC=CC1=O Amb27875124 [0,1,0,0,0,0|2,0,1]=4 1502 B12R1.125 O=C(O)COc1ccccc1Br Amb6364728 [0,1,0,0,0,0|1,0,1]=3 1503 B12R1.125 O=C(O)COc1ccccc1Cl Amb6336452 [0,1,0,0,0,0|1,0,1]=3 1504 B12R1.125 O=C(O)COc1ccccc1F Amb6335614 [0,1,0,0,0,0|1,0,1]=3 1505 B12R1.125 O=C(O)COc1ccccc1I Amb9339538 [0,1,0,0,0,0|1,0,1]=3 1506 B12R1.125 O=C(O)COc1ccccc1O Amb1030005 [0,1,0,0,0,0|1,0,1]=3 1507 B12R1.125 O=C(O)COc1cccnc1Br Amb9768119 [0,1,0,0,0,0|2,0,1]=4 1508 B12R1.125 O=C(O)COc1cccnc1Cl Amb32946272 [0,1,0,0,0,0|2,0,1]=4 1509 B12R1.125 O=C(O)COc1cccnc1F Amb32946301 [0,1,0,0,0,0|2,0,1]=4 1510 B12R1.125 O=C(O)COc1ccncc1Br Amb26428934 [0,1,0,0,0,0|2,0,1]=4 1511 B12R1.125 O=C(O)COc1ccncc1Cl Amb25877223 [0,1,0,0,0,0|2,0,1]=4 1512 B12R1.125 O=C(O)COc1ccncc1F Amb32797349 [0,1,0,0,0,0|2,0,1]=4 1513 B12R1.125 O=C(O)COc1ncccc1Br Amb27967686 [0,1,0,0,0,0|2,0,1]=4 1514 B12R1.125 O=C(O)COc1ncccc1F Amb28139994 [0,1,0,0,0,0|2,0,1]=4 1515 B12R1.125 O=C(O)CSc1cccc[n+]1[O-] Amb1104911 [0,1,0,0,0,0|2,0,1]=4 1516 B12R1.125 O=C(O)CSc1ccccc1Br Amb1113386 [0,1,0,0,0,0|1,0,1]=3 1517 B12R1.125 O=C(O)CSc1ccccc1Cl Amb1105912 [0,1,0,0,0,0|1,0,1]=3 1518 B12R1.125 O=C(O)CSc1ccccc1F Amb1105913 [0,1,0,0,0,0|1,0,1]=3 1519 B12R1.125 O=C(O)CSc1ccccc1O Amb18294823 [0,1,0,0,0,0|1,0,1]=3 1520 B12R1.125 O=C(O)CSc1ccncc1Br Amb27615473 [0,1,0,0,0,0|2,0,1]=4 1521 B12R1.125 O=C(O)CSc1ccncc1Cl Amb23557951 [0,1,0,0,0,0|2,0,1]=4 1522 B12R1.125 O=C(O)CSc1ccncc1F Amb35737115 [0,1,0,0,0,0|2,0,1]=4 1523 B12R1.125 O=C(O)CSc1ncccc1Br Amb18979322 [0,1,0,0,0,0|2,0,1]=4 1524 B12R1.125 O=C(O)\C=C\C1=CN=CNC1=O Amb18646423 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.125 O=C(O)\C=C\N1C=CC=CC1=S Amb27657743 [0,1,0,0,0,0|1,0,0]=2 1526 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb33718813 [0,1,0,0,0,0|0,0,0]=1 1527 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb6664185 [0,1,0,0,0,0|0,0,0]=1 1528 B12R1.125 O=C(O)\C=C\c1ccccc1Cl Amb6336512 [0,1,0,0,0,0|0,0,0]=1 1529 B12R1.125 O=C(O)\C=C\c1ccccc1F Amb6545502 [0,1,0,0,0,0|0,0,0]=1 1530 B12R1.125 O=C(O)\C=C\c1ccccc1I Amb22584152 [0,1,0,0,0,0|0,0,0]=1 1531 B12R1.125 O=C(O)\C=C\c1ccccc1O Amb8513188 [0,1,0,0,0,0|0,0,0]=1 1532 B12R1.125 O=C(O)\C=C\c1cccnc1Br Amb33451204 [0,1,0,0,0,0|1,0,0]=2 1533 B12R1.125 O=C(O)\C=C\c1cccnc1F Amb33473819 [0,1,0,0,0,0|1,0,0]=2 1534 B12R1.125 O=C(O)\C=C\c1ccncc1Br Amb18659757 [0,1,0,0,0,0|1,0,0]=2 1535 B12R1.125 O=C(O)\C=C\c1ccncc1Cl Amb33261635 [0,1,0,0,0,0|1,0,0]=2 1536 B12R1.125 O=C(O)\C=C\c1ccncc1F Amb26946507 [0,1,0,0,0,0|1,0,0]=2 1537 B12R1.125 O=C(O)\C=C\c1cnccc1O Amb18646198 [0,1,0,0,0,0|1,0,0]=2 1538 B12R1.125 O=C(O)\C=C\c1ncccc1Br Amb25975550 [0,1,0,0,0,0|1,0,0]=2 1539 B12R1.125 O=C(O)\C=C\c1ncccc1Cl Amb26552463 [0,1,0,0,0,0|1,0,0]=2 1540 B12R1.125 O=C(O)\C=C\c1ncccc1F Amb32662908 [0,1,0,0,0,0|1,0,0]=2 1541 B12R1.125 O=C(O)\C=C\c1ncncc1Br Amb33470080 [0,1,0,0,0,0|2,0,0]=3 1542 B12R1.125 O=C([O-])CCc1ccccc1F Amb15692476 [0,1,0,0,0,0|0,0,3]=4 1543 B12R1.125 O=S([O-])\C=C\c1ccccc1Br Amb32754055 [0,1,0,0,0,0|1,0,1]=3 1544 B12R1.125 O=S([O-])\C=C\c1ccccc1F Amb32754864 [0,1,0,0,0,0|1,0,1]=3 1545 B12R1.125 O=[N+]([O-])\C=C/c1ccccc1F Amb10839832 [0,1,0,0,0,0|1,0,1]=3 1546 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1Cl Amb2762665 [0,1,0,0,0,0|1,0,1]=3 1547 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1Cl Amb33714745 [0,1,0,0,0,0|1,0,1]=3 1548 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1F Amb6876254 [0,1,0,0,0,0|1,0,1]=3 1549 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1O Amb32953488 [0,1,0,0,0,0|1,0,1]=3 1550 B12R1.125 O=[N+]([O-])\C=C\c1cccnc1Br Amb33456682 [0,1,0,0,0,0|2,0,1]=4 1551 B12R1.125 O=[N+]([O-])\C=C\c1cccnc1Cl Amb33257377 [0,1,0,0,0,0|2,0,1]=4 1552 B12R1.125 O=[N+]([O-])\C=C\c1cccnc1F Amb33377188 [0,1,0,0,0,0|2,0,1]=4 1553 B12R1.125 O=[N+]([O-])\C=C\c1ccncc1Br Amb33478363 [0,1,0,0,0,0|2,0,1]=4 1554 B12R1.125 O=[N+]([O-])\C=C\c1ccncc1Cl Amb33456677 [0,1,0,0,0,0|2,0,1]=4 1555 B12R1.125 O=[N+]([O-])\C=C\c1ccncc1F Amb33317166 [0,1,0,0,0,0|2,0,1]=4 1556 B12R1.125 O=[N+]([O-])\C=C\c1cnccc1Cl Amb27224416 [0,1,0,0,0,0|2,0,1]=4 1557 B12R1.125 O=[N+]([O-])\C=C\c1ncccc1Br Amb33336106 [0,1,0,0,0,0|2,0,1]=4 1558 B12R1.125 O=[N+]([O-])\C=C\c1ncccc1F Amb33456685 [0,1,0,0,0,0|2,0,1]=4 1559 B12R1.125 OB(O)\C=C\c1ccncc1F Amb27450872 [0,1,0,0,0,0|2,0,1]=4 1560 B12R1.226 CC(=O)C#Cc1cccc(F)c1 Amb27177631 [0,1,0,0,0,0|1,0,2]=4 1561 B12R1.226 CC(=O)CCc1cccc(Br)c1 Amb9031557 [0,1,0,0,0,0|1,0,2]=4 1562 B12R1.226 CC(=O)CCc1cccc(C)c1 Amb8869632 [0,1,0,0,0,0|1,0,2]=4 1563 B12R1.226 CC(=O)CCc1cccc(Cl)c1 Amb9031572 [0,1,0,0,0,0|1,0,2]=4 1564 B12R1.226 CC(=O)CCc1cccc(F)c1 Amb9031555 [0,1,0,0,0,0|1,0,2]=4 1565 B12R1.226 CC(=O)CCc1cccc(N)c1 Amb26452029 [0,1,0,0,0,0|1,0,2]=4 1566 B12R1.226 CC(=O)CCc1cccc(O)c1 Amb18646057 [0,1,0,0,0,0|1,0,2]=4 1567 B12R1.226 CC(=O)COc1cccc(Br)c1 Amb17226706 [0,1,0,0,0,0|2,0,1]=4 1568 B12R1.226 CC(=O)COc1cccc(I)c1 Amb27829069 [0,1,0,0,0,0|2,0,1]=4 1569 B12R1.226 CC(=O)COc1cccc(N)c1 Amb17110084 [0,1,0,0,0,0|2,0,1]=4 1570 B12R1.226 CC(=O)CSc1cccc(Br)c1 Amb24612317 [0,1,0,0,0,0|2,0,1]=4 1571 B12R1.226 CC(=O)CSc1cccc(C)c1 Amb18791171 [0,1,0,0,0,0|2,0,1]=4 1572 B12R1.226 CC(=O)CSc1cccc(Cl)c1 Amb18331367 [0,1,0,0,0,0|2,0,1]=4 1573 B12R1.226 CC(=O)CSc1cccc(F)c1 Amb28386048 [0,1,0,0,0,0|2,0,1]=4 1574 B12R1.226 CC(=O)NCc1cccc(Br)c1 Amb2085743 [0,1,0,0,0,0|2,0,1]=4 1575 B12R1.226 CC(=O)NCc1cccc(Cl)c1 Amb2023612 [0,1,0,0,0,0|2,0,1]=4 1576 B12R1.226 CC(=O)NCc1cccc(F)c1 Amb33546305 [0,1,0,0,0,0|2,0,1]=4 1577 B12R1.226 CC(=O)NCc1cccc(I)c1 Amb25148829 [0,1,0,0,0,0|2,0,1]=4 1578 B12R1.226 CC(=O)NCc1cccc(N)c1 Amb18286659 [0,1,0,0,0,0|2,0,1]=4 1579 B12R1.226 CC(=O)NNc1cccc(Br)c1 Amb27414445 [0,1,0,0,0,0|3,0,0]=4 1580 B12R1.226 CC(=O)NNc1cccc(Cl)c1 Amb4362483 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.226 CC(=O)OCc1cccc(N)c1 Amb22229178 [0,1,0,0,0,0|2,0,1]=4 1582 B12R1.226 CC(=O)OCc1cccc(O)c1 Amb26427066 [0,1,0,0,0,0|2,0,1]=4 1583 B12R1.226 CC(=O)SCc1cccc(Cl)c1 Amb22231632 [0,1,0,0,0,0|2,0,1]=4 1584 B12R1.226 CC(=O)SCc1cccc(I)c1 Amb27770074 [0,1,0,0,0,0|2,0,1]=4 1585 B12R1.226 CC(=O)\C=C\c1cc(C)ccn1 Amb33317813 [0,1,0,0,0,0|2,0,0]=3 1586 B12R1.226 CC(=O)\C=C\c1cc(F)ccn1 Amb33325518 [0,1,0,0,0,0|2,0,0]=3 1587 B12R1.226 CC(=O)\C=C\c1cccc(Br)c1 Amb10601440 [0,1,0,0,0,0|1,0,0]=2 1588 B12R1.226 CC(=O)\C=C\c1cccc(Br)n1 Amb25233145 [0,1,0,0,0,0|2,0,0]=3 1589 B12R1.226 CC(=O)\C=C\c1cccc(C)c1 Amb33079187 [0,1,0,0,0,0|1,0,0]=2 1590 B12R1.226 CC(=O)\C=C\c1cccc(C)n1 Amb33474924 [0,1,0,0,0,0|2,0,0]=3 1591 B12R1.226 CC(=O)\C=C\c1cccc(Cl)c1 Amb2724236 [0,1,0,0,0,0|1,0,0]=2 1592 B12R1.226 CC(=O)\C=C\c1cccc(Cl)n1 Amb33222648 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.226 CC(=O)\C=C\c1cccc(F)c1 Amb18563600 [0,1,0,0,0,0|1,0,0]=2 1594 B12R1.226 CC(=O)\C=C\c1cccc(N)c1 Amb23247751 [0,1,0,0,0,0|1,0,0]=2 1595 B12R1.226 CC(=O)\C=C\c1cccc(O)c1 Amb17615740 [0,1,0,0,0,0|1,0,0]=2 1596 B12R1.226 CC(=O)\C=C\c1ccnc(C)c1 Amb33172588 [0,1,0,0,0,0|2,0,0]=3 1597 B12R1.226 CC(=O)\C=C\c1cncc(Br)c1 Amb33430082 [0,1,0,0,0,0|2,0,0]=3 1598 B12R1.226 CC(=O)\C=C\c1cncc(C)c1 Amb33317647 [0,1,0,0,0,0|2,0,0]=3 1599 B12R1.226 CC(=O)\C=C\c1cncc(F)c1 Amb33195632 [0,1,0,0,0,0|2,0,0]=3 1600 B12R1.226 CC(Br)\C=C\c1cccc(Cl)c1 Amb27591061 [0,1,0,0,0,0|2,0,1]=4 1601 B12R1.226 CC(Br)\C=C\c1cccc(F)c1 Amb28207845 [0,1,0,0,0,0|2,0,1]=4 1602 B12R1.226 CC(C)=CCc1cccc(O)c1 Amb24341888 [0,1,0,0,0,0|2,0,1]=4 1603 B12R1.226 CC(N)\C=C\c1cccc(Br)c1 Amb33241203 [0,1,0,0,0,0|2,0,1]=4 1604 B12R1.226 CC(N)\C=C\c1cccc(Cl)c1 Amb33220774 [0,1,0,0,0,0|2,0,1]=4 1605 B12R1.226 CC(N)\C=C\c1cccc(F)c1 Amb33450002 [0,1,0,0,0,0|2,0,1]=4 1606 B12R1.226 CC(N)\C=C\c1cccc(I)c1 Amb27590388 [0,1,0,0,0,0|2,0,1]=4 1607 B12R1.226 CC(N)\C=C\c1cccc(O)c1 Amb27615369 [0,1,0,0,0,0|2,0,1]=4 1608 B12R1.226 CC(O)\C=C\c1cccc(Br)c1 Amb25098989 [0,1,0,0,0,0|1,0,1]=3 1609 B12R1.226 CC(O)\C=C\c1cccc(Cl)c1 Amb24590748 [0,1,0,0,0,0|1,0,1]=3 1610 B12R1.226 CC(O)\C=C\c1cccc(F)c1 Amb25730368 [0,1,0,0,0,0|1,0,1]=3 1611 B12R1.226 CC(O)\C=C\c1cccc(I)c1 Amb27644961 [0,1,0,0,0,0|1,0,1]=3 1612 B12R1.226 CS(=O)\N=C\c1cccc(Br)c1 Amb35681676 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.226 CS(=O)\N=C\c1cccc(Cl)c1 Amb35681711 [0,1,0,0,0,0|3,0,0]=4 1614 B12R1.226 CS(=O)\N=C\c1cccc(F)c1 Amb29858703 [0,1,0,0,0,0|3,0,0]=4 1615 B12R1.226 CS(=O)\N=C\c1cccc(I)c1 Amb35692840 [0,1,0,0,0,0|3,0,0]=4 1616 B12R1.226 CS(=O)\N=C\c1cccc(O)c1 Amb29858760 [0,1,0,0,0,0|3,0,0]=4 1617 B12R1.226 Cc1cc(C#CC(=O)O)ccn1 Amb28137428 [0,1,0,0,0,0|1,0,2]=4 1618 B12R1.226 Cc1cc(CCC(=O)O)ccn1 Amb22886572 [0,1,0,0,0,0|1,0,2]=4 1619 B12R1.226 Cc1cc(OCC(=O)O)ccn1 Amb24450470 [0,1,0,0,0,0|2,0,1]=4 1620 B12R1.226 Cc1cc(\C=C\B(O)O)ccn1 Amb27227505 [0,1,0,0,0,0|2,0,1]=4 1621 B12R1.226 Cc1cc(\C=C\C(=O)O)ccn1 Amb32953957 [0,1,0,0,0,0|1,0,0]=2 1622 B12R1.226 Cc1cc(\C=C\C(=O)O)ncn1 Amb27224407 [0,1,0,0,0,0|2,0,0]=3 1623 B12R1.226 Cc1cc(\C=C\C(N)=O)ccn1 Amb27445433 [0,1,0,0,0,0|2,0,0]=3 1624 B12R1.226 Cc1cc(\C=C\[N+](=O)[O-])ccn1 Amb33340429 [0,1,0,0,0,0|2,0,1]=4 1625 B12R1.226 Cc1cccc(C#CC(=O)O)c1 Amb20673071 [0,1,0,0,0,0|0,0,2]=3 1626 B12R1.226 Cc1cccc(CCC(=O)Cl)c1 Amb18325287 [0,1,0,0,0,0|1,0,2]=4 1627 B12R1.226 Cc1cccc(CCC(=O)O)c1 Amb1106242 [0,1,0,0,0,0|0,0,2]=3 1628 B12R1.226 Cc1cccc(CCC(=O)O)n1 Amb8009795 [0,1,0,0,0,0|1,0,2]=4 1629 B12R1.226 Cc1cccc(CCC(N)=O)c1 Amb17400135 [0,1,0,0,0,0|1,0,2]=4 1630 B12R1.226 Cc1cccc(CNC(=O)Cl)c1 Amb35625652 [0,1,0,0,0,0|2,0,1]=4 1631 B12R1.226 Cc1cccc(COC(N)=O)c1 Amb27165818 [0,1,0,0,0,0|2,0,1]=4 1632 B12R1.226 Cc1cccc(NCC(=O)O)c1 Amb840514 [0,1,0,0,0,0|1,0,1]=3 1633 B12R1.226 Cc1cccc(NCC(N)=O)c1 Amb6706700 [0,1,0,0,0,0|2,0,1]=4 1634 B12R1.226 Cc1cccc(NNC(N)=O)c1 Amb25061369 [0,1,0,0,0,0|3,0,0]=4 1635 B12R1.226 Cc1cccc(OCC(=O)Cl)c1 Amb10880010 [0,1,0,0,0,0|2,0,1]=4 1636 B12R1.226 Cc1cccc(OCC(=O)O)c1 Amb6336446 [0,1,0,0,0,0|1,0,1]=3 1637 B12R1.226 Cc1cccc(OCC(=O)O)n1 Amb24389213 [0,1,0,0,0,0|2,0,1]=4 1638 B12R1.226 Cc1cccc(OCC(N)=O)c1 Amb6346003 [0,1,0,0,0,0|2,0,1]=4 1639 B12R1.226 Cc1cccc(SCC(=O)Cl)c1 Amb17143249 [0,1,0,0,0,0|2,0,1]=4 1640 B12R1.226 Cc1cccc(SCC(=O)O)c1 Amb5768509 [0,1,0,0,0,0|1,0,1]=3 1641 B12R1.226 Cc1cccc(SCC(N)=O)c1 Amb17142988 [0,1,0,0,0,0|2,0,1]=4 1642 B12R1.226 Cc1cccc(\C=C/C(N)=O)c1 Amb27490834 [0,1,0,0,0,0|1,0,0]=2 1643 B12R1.226 Cc1cccc(\C=C/[N+](=O)[O-])c1 Amb26891002 [0,1,0,0,0,0|1,0,1]=3 1644 B12R1.226 Cc1cccc(\C=C\B(O)O)n1 Amb28139761 [0,1,0,0,0,0|2,0,1]=4 1645 B12R1.226 Cc1cccc(\C=C\C(=O)Cl)c1 Amb33513162 [0,1,0,0,0,0|1,0,0]=2 1646 B12R1.226 Cc1cccc(\C=C\C(=O)O)c1 Amb2720533 [0,1,0,0,0,0|0,0,0]=1 1647 B12R1.226 Cc1cccc(\C=C\C(=O)O)n1 Amb10669513 [0,1,0,0,0,0|1,0,0]=2 1648 B12R1.226 Cc1cccc(\C=C\C(=O)[O-])c1 Amb33513024 [0,1,0,0,0,0|0,0,1]=2 1649 B12R1.226 Cc1cccc(\C=C\C(C)N)c1 Amb33450114 [0,1,0,0,0,0|2,0,1]=4 1650 B12R1.226 Cc1cccc(\C=C\C(C)O)c1 Amb25683937 [0,1,0,0,0,0|1,0,1]=3 1651 B12R1.226 Cc1cccc(\C=C\[N+](=O)[O-])c1 Amb6296910 [0,1,0,0,0,0|1,0,1]=3 1652 B12R1.226 Cc1cccc(\C=C\[N+](=O)[O-])n1 Amb33079112 [0,1,0,0,0,0|2,0,1]=4 1653 B12R1.226 Cc1cccc(\C=N\S(C)=O)c1 Amb29858792 [0,1,0,0,0,0|3,0,0]=4 1654 B12R1.226 Cc1ccnc(CCC(=O)O)c1 Amb18828439 [0,1,0,0,0,0|1,0,2]=4 1655 B12R1.226 Cc1ccnc(NCC(=O)O)c1 Amb10597602 [0,1,0,0,0,0|2,0,1]=4 1656 B12R1.226 Cc1ccnc(OCC(=O)O)c1 Amb25154209 [0,1,0,0,0,0|2,0,1]=4 1657 B12R1.226 Cc1ccnc(\C=C\C(=O)O)c1 Amb33079454 [0,1,0,0,0,0|1,0,0]=2 1658 B12R1.226 Cc1ccnc(\C=C\C(N)=O)c1 Amb28421771 [0,1,0,0,0,0|2,0,0]=3 1659 B12R1.226 Cc1ccnc(\C=C\[N+](=O)[O-])c1 Amb33318088 [0,1,0,0,0,0|2,0,1]=4 1660 B12R1.226 Cc1cncc(CCC(=O)O)c1 Amb22886573 [0,1,0,0,0,0|1,0,2]=4 1661 B12R1.226 Cc1cncc(OCC(=O)O)c1 Amb33317153 [0,1,0,0,0,0|2,0,1]=4 1662 B12R1.226 Cc1cncc(\C=C\C(=O)O)c1 Amb22059615 [0,1,0,0,0,0|1,0,0]=2 1663 B12R1.226 Cc1cncc(\C=C\[N+](=O)[O-])c1 Amb33429279 [0,1,0,0,0,0|2,0,1]=4 1664 B12R1.226 Cc1nccc(\C=C\C(=O)O)n1 Amb23592256 [0,1,0,0,0,0|2,0,0]=3 1665 B12R1.226 NC(=O)CCc1cccc(Br)c1 Amb8997695 [0,1,0,0,0,0|1,0,2]=4 1666 B12R1.226 NC(=O)CCc1cccc(Cl)c1 Amb17400995 [0,1,0,0,0,0|1,0,2]=4 1667 B12R1.226 NC(=O)CNc1cccc(Br)c1 Amb143565 [0,1,0,0,0,0|2,0,1]=4 1668 B12R1.226 NC(=O)CNc1cccc(Cl)c1 Amb6711826 [0,1,0,0,0,0|2,0,1]=4 1669 B12R1.226 NC(=O)CNc1cccc(F)c1 Amb6711883 [0,1,0,0,0,0|2,0,1]=4 1670 B12R1.226 NC(=O)CNc1cccc(I)c1 Amb7758310 [0,1,0,0,0,0|2,0,1]=4 1671 B12R1.226 NC(=O)CNc1cccc(O)c1 Amb26868898 [0,1,0,0,0,0|2,0,1]=4 1672 B12R1.226 NC(=O)COc1cccc(Br)c1 Amb192032 [0,1,0,0,0,0|2,0,1]=4 1673 B12R1.226 NC(=O)COc1cccc(Cl)c1 Amb2726046 [0,1,0,0,0,0|2,0,1]=4 1674 B12R1.226 NC(=O)COc1cccc(I)c1 Amb181273 [0,1,0,0,0,0|2,0,1]=4 1675 B12R1.226 NC(=O)COc1cccc(N)c1 Amb1112358 [0,1,0,0,0,0|2,0,1]=4 1676 B12R1.226 NC(=O)COc1cccc(O)c1 Amb9210998 [0,1,0,0,0,0|2,0,1]=4 1677 B12R1.226 NC(=O)CSc1cccc(Cl)c1 Amb17143258 [0,1,0,0,0,0|2,0,1]=4 1678 B12R1.226 NC(=O)CSc1cccc(N)c1 Amb27770252 [0,1,0,0,0,0|2,0,1]=4 1679 B12R1.226 NC(=O)NCc1cccc(Br)c1 Amb26315359 [0,1,0,0,0,0|2,0,1]=4 1680 B12R1.226 NC(=O)NCc1cccc(F)c1 Amb7782143 [0,1,0,0,0,0|2,0,1]=4 1681 B12R1.226 NC(=O)NNc1cccc(Br)c1 Amb27980089 [0,1,0,0,0,0|3,0,0]=4 1682 B12R1.226 NC(=O)NNc1cccc(Cl)c1 Amb27858802 [0,1,0,0,0,0|3,0,0]=4 1683 B12R1.226 NC(=O)NNc1cccc(F)c1 Amb6298511 [0,1,0,0,0,0|3,0,0]=4 1684 B12R1.226 NC(=O)NOc1cccc(Cl)c1 Amb27250570 [0,1,0,0,0,0|3,0,0]=4 1685 B12R1.226 NC(=O)OCc1cccc(F)c1 Amb27392390 [0,1,0,0,0,0|2,0,1]=4 1686 B12R1.226 NC(=O)\C=C\c1cccc(Br)c1 Amb8997726 [0,1,0,0,0,0|1,0,0]=2 1687 B12R1.226 NC(=O)\C=C\c1cccc(F)c1 Amb8997747 [0,1,0,0,0,0|1,0,0]=2 1688 B12R1.226 NC(=O)\C=C\c1cccc(I)c1 Amb25338405 [0,1,0,0,0,0|1,0,0]=2 1689 B12R1.226 NC(=O)\C=C\c1cccc(O)c1 Amb27854413 [0,1,0,0,0,0|1,0,0]=2 1690 B12R1.226 NC(=O)\C=C\c1ccnc(Br)c1 Amb24451667 [0,1,0,0,0,0|2,0,0]=3 1691 B12R1.226 NC(=O)\C=C\c1ccnc(Cl)c1 Amb27598185 [0,1,0,0,0,0|2,0,0]=3 1692 B12R1.226 NC(=O)\C=C\c1cncc(O)c1 Amb27178630 [0,1,0,0,0,0|2,0,0]=3 1693 B12R1.226 NC(=O)\N=C\c1cccc(F)c1 Amb27848231 [0,1,0,0,0,0|2,0,0]=3 1694 B12R1.226 NC(=S)\C=C\c1cccc(Cl)c1 Amb27637700 [0,1,0,0,0,0|1,1,0]=3 1695 B12R1.226 Nc1cc(CCC(=O)O)ccn1 Amb24105413 [0,1,0,0,0,0|1,0,2]=4 1696 B12R1.226 Nc1cccc(C#CC(=O)O)c1 Amb24650985 [0,1,0,0,0,0|0,0,2]=3 1697 B12R1.226 Nc1cccc(CCC(=O)Cl)c1 Amb27453550 [0,1,0,0,0,0|1,0,2]=4 1698 B12R1.226 Nc1cccc(CCC(=O)O)c1 Amb2684507 [0,1,0,0,0,0|0,0,2]=3 1699 B12R1.226 Nc1cccc(CCC(=O)O)c1 Amb2692058 [0,1,0,0,0,0|0,0,2]=3 1700 B12R1.226 Nc1cccc(CCC(=O)[O-])c1 Amb22408735 [0,1,0,0,0,0|0,0,3]=4 1701 B12R1.226 Nc1cccc(CCC(=O)[O-])c1 Amb22757721 [0,1,0,0,0,0|0,0,3]=4 1702 B12R1.226 Nc1cccc(OCC(=O)O)c1 Amb839769 [0,1,0,0,0,0|1,0,1]=3 1703 B12R1.226 Nc1cccc(\C=C\C(=O)O)c1 Amb34916041 [0,1,0,0,0,0|0,0,0]=1 1704 B12R1.226 Nc1cncc(\C=C\C(=O)O)c1 Amb27840658 [0,1,0,0,0,0|1,0,0]=2 1705 B12R1.226 O=C(Cl)CCc1cccc(F)c1 Amb25129437 [0,1,0,0,0,0|1,0,2]=4 1706 B12R1.226 O=C(Cl)COc1cccc(Br)c1 Amb16230149 [0,1,0,0,0,0|2,0,1]=4 1707 B12R1.226 O=C(Cl)COc1cccc(F)c1 Amb27406717 [0,1,0,0,0,0|2,0,1]=4 1708 B12R1.226 O=C(Cl)CSc1cccc(Cl)c1 Amb17143820 [0,1,0,0,0,0|2,0,1]=4 1709 B12R1.226 O=C(Cl)NCc1cccc(Br)c1 Amb35625550 [0,1,0,0,0,0|2,0,1]=4 1710 B12R1.226 O=C(Cl)NCc1cccc(Cl)c1 Amb35637058 [0,1,0,0,0,0|2,0,1]=4 1711 B12R1.226 O=C(Cl)NCc1cccc(F)c1 Amb27238851 [0,1,0,0,0,0|2,0,1]=4 1712 B12R1.226 O=C(Cl)OCc1cccc(Cl)c1 Amb26597913 [0,1,0,0,0,0|2,0,1]=4 1713 B12R1.226 O=C(Cl)\C=C\c1cccc(Br)c1 Amb17145216 [0,1,0,0,0,0|1,0,0]=2 1714 B12R1.226 O=C(Cl)\C=C\c1cccc(Cl)c1 Amb16230245 [0,1,0,0,0,0|1,0,0]=2 1715 B12R1.226 O=C(Cl)\C=C\c1cccc(O)c1 Amb26344668 [0,1,0,0,0,0|1,0,0]=2 1716 B12R1.226 O=C(O)C#CC1=CC=CC(=O)N1 Amb27217754 [0,1,0,0,0,0|1,0,2]=4 1717 B12R1.226 O=C(O)C#Cc1cccc(Br)c1 Amb23504362 [0,1,0,0,0,0|0,0,2]=3 1718 B12R1.226 O=C(O)C#Cc1cccc(Cl)c1 Amb20673086 [0,1,0,0,0,0|0,0,2]=3 1719 B12R1.226 O=C(O)C#Cc1cccc(F)c1 Amb20673102 [0,1,0,0,0,0|0,0,2]=3 1720 B12R1.226 O=C(O)C#Cc1cccc(O)c1 Amb23569602 [0,1,0,0,0,0|0,0,2]=3 1721 B12R1.226 O=C(O)CCC1=CC=CC(=O)N1 Amb26373711 [0,1,0,0,0,0|1,0,2]=4 1722 B12R1.226 O=C(O)CCC1=CC=CC(=O)N1 Amb33620710 [0,1,0,0,0,0|1,0,2]=4 1723 B12R1.226 O=C(O)CCC1=CC=CC(=O)O1 Amb27865517 [0,1,0,0,0,0|1,0,2]=4 1724 B12R1.226 O=C(O)CCc1cc(Br)ccn1 Amb27780846 [0,1,0,0,0,0|1,0,2]=4 1725 B12R1.226 O=C(O)CCc1cc(F)ccn1 Amb22886576 [0,1,0,0,0,0|1,0,2]=4 1726 B12R1.226 O=C(O)CCc1cccc(Br)c1 Amb1209216 [0,1,0,0,0,0|0,0,2]=3 1727 B12R1.226 O=C(O)CCc1cccc(Br)n1 Amb26023781 [0,1,0,0,0,0|1,0,2]=4 1728 B12R1.226 O=C(O)CCc1cccc(Cl)c1 Amb1672952 [0,1,0,0,0,0|0,0,2]=3 1729 B12R1.226 O=C(O)CCc1cccc(Cl)n1 Amb27774864 [0,1,0,0,0,0|1,0,2]=4 1730 B12R1.226 O=C(O)CCc1cccc(F)c1 Amb1091868 [0,1,0,0,0,0|0,0,2]=3 1731 B12R1.226 O=C(O)CCc1cccc(F)n1 Amb27395763 [0,1,0,0,0,0|1,0,2]=4 1732 B12R1.226 O=C(O)CCc1cccc(I)c1 Amb16232982 [0,1,0,0,0,0|0,0,2]=3 1733 B12R1.226 O=C(O)CCc1cccc(O)c1 Amb2688781 [0,1,0,0,0,0|0,0,2]=3 1734 B12R1.226 O=C(O)CCc1ccnc(Cl)c1 Amb27458246 [0,1,0,0,0,0|1,0,2]=4 1735 B12R1.226 O=C(O)CCc1ccnc(O)c1 Amb26859372 [0,1,0,0,0,0|1,0,2]=4 1736 B12R1.226 O=C(O)CCc1cncc(Br)c1 Amb27197768 [0,1,0,0,0,0|1,0,2]=4 1737 B12R1.226 O=C(O)CCc1cncc(Br)c1 Amb28600243 [0,1,0,0,0,0|1,0,2]=4 1738 B12R1.226 O=C(O)CCc1cncc(F)c1 Amb23450303 [0,1,0,0,0,0|1,0,2]=4 1739 B12R1.226 O=C(O)CCc1cncc(O)c1 Amb24435210 [0,1,0,0,0,0|1,0,2]=4 1740 B12R1.226 O=C(O)CNc1cccc(Br)c1 Amb840527 [0,1,0,0,0,0|1,0,1]=3 1741 B12R1.226 O=C(O)CNc1cccc(Cl)c1 Amb10609174 [0,1,0,0,0,0|1,0,1]=3 1742 B12R1.226 O=C(O)CNc1cccc(Cl)c1 Amb840525 [0,1,0,0,0,0|1,0,1]=3 1743 B12R1.226 O=C(O)CNc1cccc(Cl)n1 Amb25736170 [0,1,0,0,0,0|2,0,1]=4 1744 B12R1.226 O=C(O)CNc1cccc(F)c1 Amb19341704 [0,1,0,0,0,0|1,0,1]=3 1745 B12R1.226 O=C(O)CNc1cccc(F)c1 Amb840522 [0,1,0,0,0,0|1,0,1]=3 1746 B12R1.226 O=C(O)CNc1cccc(F)n1 Amb27471101 [0,1,0,0,0,0|2,0,1]=4 1747 B12R1.226 O=C(O)CNc1ccnc(Cl)c1 Amb27598005 [0,1,0,0,0,0|2,0,1]=4 1748 B12R1.226 O=C(O)CNc1cncc(Cl)c1 Amb35706919 [0,1,0,0,0,0|2,0,1]=4 1749 B12R1.226 O=C(O)CNc1cncc(F)c1 Amb28251708 [0,1,0,0,0,0|2,0,1]=4 1750 B12R1.226 O=C(O)COC1=CC(=O)NC=C1 Amb32946294 [0,1,0,0,0,0|2,0,1]=4 1751 B12R1.226 O=C(O)COc1cc(Br)ccn1 Amb18660970 [0,1,0,0,0,0|2,0,1]=4 1752 B12R1.226 O=C(O)COc1cc(Cl)ccn1 Amb2609896 [0,1,0,0,0,0|2,0,1]=4 1753 B12R1.226 O=C(O)COc1cc(F)ccn1 Amb33325484 [0,1,0,0,0,0|2,0,1]=4 1754 B12R1.226 O=C(O)COc1cccc(Br)c1 Amb6336684 [0,1,0,0,0,0|1,0,1]=3 1755 B12R1.226 O=C(O)COc1cccc(Br)n1 Amb33433825 [0,1,0,0,0,0|2,0,1]=4 1756 B12R1.226 O=C(O)COc1cccc(Cl)c1 Amb1211231 [0,1,0,0,0,0|1,0,1]=3 1757 B12R1.226 O=C(O)COc1cccc(Cl)n1 Amb28365549 [0,1,0,0,0,0|2,0,1]=4 1758 B12R1.226 O=C(O)COc1cccc(F)c1 Amb1102803 [0,1,0,0,0,0|1,0,1]=3 1759 B12R1.226 O=C(O)COc1cccc(I)c1 Amb4574102 [0,1,0,0,0,0|1,0,1]=3 1760 B12R1.226 O=C(O)COc1cccc(O)c1 Amb6360813 [0,1,0,0,0,0|1,0,1]=3 1761 B12R1.226 O=C(O)COc1ccnc(Br)c1 Amb18660965 [0,1,0,0,0,0|2,0,1]=4 1762 B12R1.226 O=C(O)COc1ccnc(Cl)c1 Amb25792389 [0,1,0,0,0,0|2,0,1]=4 1763 B12R1.226 O=C(O)COc1cncc(Br)c1 Amb33545391 [0,1,0,0,0,0|2,0,1]=4 1764 B12R1.226 O=C(O)COc1cncc(Cl)c1 Amb26875815 [0,1,0,0,0,0|2,0,1]=4 1765 B12R1.226 O=C(O)COc1cncc(F)c1 Amb25760871 [0,1,0,0,0,0|2,0,1]=4 1766 B12R1.226 O=C(O)CSc1cccc(Br)c1 Amb2372547 [0,1,0,0,0,0|1,0,1]=3 1767 B12R1.226 O=C(O)CSc1cccc(Cl)c1 Amb2794096 [0,1,0,0,0,0|1,0,1]=3 1768 B12R1.226 O=C(O)CSc1cccc(F)c1 Amb19887452 [0,1,0,0,0,0|1,0,1]=3 1769 B12R1.226 O=C(O)CSc1cccc(O)c1 Amb28385688 [0,1,0,0,0,0|1,0,1]=3 1770 B12R1.226 O=C(O)CSc1cncc(Br)c1 Amb28062088 [0,1,0,0,0,0|2,0,1]=4 1771 B12R1.226 O=C(O)\C=C\C1=CC=CC(=O)N1 Amb25705720 [0,1,0,0,0,0|1,0,0]=2 1772 B12R1.226 O=C(O)\C=C\c1cc(Cl)ccn1 Amb33469130 [0,1,0,0,0,0|1,0,0]=2 1773 B12R1.226 O=C(O)\C=C\c1cc(F)ccn1 Amb33414575 [0,1,0,0,0,0|1,0,0]=2 1774 B12R1.226 O=C(O)\C=C\c1cccc(Br)c1 Amb1207365 [0,1,0,0,0,0|0,0,0]=1 1775 B12R1.226 O=C(O)\C=C\c1cccc(Br)n1 Amb33240785 [0,1,0,0,0,0|1,0,0]=2 1776 B12R1.226 O=C(O)\C=C\c1cccc(Cl)c1 Amb33513177 [0,1,0,0,0,0|0,0,0]=1 1777 B12R1.226 O=C(O)\C=C\c1cccc(F)c1 Amb1210956 [0,1,0,0,0,0|0,0,0]=1 1778 B12R1.226 O=C(O)\C=C\c1cccc(I)c1 Amb2236388 [0,1,0,0,0,0|0,0,0]=1 1779 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 Amb8513189 [0,1,0,0,0,0|0,0,0]=1 1780 B12R1.226 O=C(O)\C=C\c1ccnc(Br)c1 Amb19929893 [0,1,0,0,0,0|1,0,0]=2 1781 B12R1.226 O=C(O)\C=C\c1ccnc(Cl)c1 Amb20668239 [0,1,0,0,0,0|1,0,0]=2 1782 B12R1.226 O=C(O)\C=C\c1ccnc(O)c1 Amb24682988 [0,1,0,0,0,0|1,0,0]=2 1783 B12R1.226 O=C(O)\C=C\c1cncc(Br)c1 Amb33242916 [0,1,0,0,0,0|1,0,0]=2 1784 B12R1.226 O=C(O)\C=C\c1cncc(Cl)c1 Amb26004618 [0,1,0,0,0,0|1,0,0]=2 1785 B12R1.226 O=C(O)\C=C\c1cncc(F)c1 Amb18283058 [0,1,0,0,0,0|1,0,0]=2 1786 B12R1.226 O=C(O)\C=C\c1cncc(O)c1 Amb27868737 [0,1,0,0,0,0|1,0,0]=2 1787 B12R1.226 O=S([O-])\C=C\c1cccc(Br)c1 Amb32754056 [0,1,0,0,0,0|1,0,1]=3 1788 B12R1.226 O=S([O-])\C=C\c1cccc(Cl)c1 Amb32755654 [0,1,0,0,0,0|1,0,1]=3 1789 B12R1.226 O=[N+]([O-])\C=C\c1cc(F)ccn1 Amb33320261 [0,1,0,0,0,0|2,0,1]=4 1790 B12R1.226 O=[N+]([O-])\C=C\c1cccc(Br)c1 Amb3905133 [0,1,0,0,0,0|1,0,1]=3 1791 B12R1.226 O=[N+]([O-])\C=C\c1cccc(Br)n1 Amb33433135 [0,1,0,0,0,0|2,0,1]=4 1792 B12R1.226 O=[N+]([O-])\C=C\c1cccc(Cl)c1 Amb2763380 [0,1,0,0,0,0|1,0,1]=3 1793 B12R1.226 O=[N+]([O-])\C=C\c1cccc(Cl)n1 Amb33222414 [0,1,0,0,0,0|2,0,1]=4 1794 B12R1.226 O=[N+]([O-])\C=C\c1cccc(F)c1 Amb2764632 [0,1,0,0,0,0|1,0,1]=3 1795 B12R1.226 O=[N+]([O-])\C=C\c1cccc(I)c1 Amb1144728 [0,1,0,0,0,0|1,0,1]=3 1796 B12R1.226 O=[N+]([O-])\C=C\c1cccc(O)c1 Amb6296329 [0,1,0,0,0,0|1,0,1]=3 1797 B12R1.226 O=[N+]([O-])\C=C\c1cncc(Br)c1 Amb27661971 [0,1,0,0,0,0|2,0,1]=4 1798 B12R1.226 O=[N+]([O-])\C=C\c1cncc(F)c1 Amb33171923 [0,1,0,0,0,0|2,0,1]=4 1799 B12R1.226 OB(O)\C=C\c1cccc(Br)c1 Amb25208384 [0,1,0,0,0,0|1,0,1]=3 1800 B12R1.226 OB(O)\C=C\c1cccc(Cl)c1 Amb10603469 [0,1,0,0,0,0|1,0,1]=3 1801 B12R1.226 OB(O)\C=C\c1cccc(Cl)n1 Amb28249503 [0,1,0,0,0,0|2,0,1]=4 1802 B12R1.226 OB(O)\C=C\c1cncc(Cl)c1 Amb28042535 [0,1,0,0,0,0|2,0,1]=4 1803 B12R1.891 CC(C)(C)\C=C/c1ccccc1 Amb22546614 [0,1,0,0,0,0|2,0,1]=4 1804 B12R1.891 CC(C)(N)\C=C\c1ccccc1 Amb32951520 [0,1,0,0,0,0|2,0,1]=4 1805 B12R1.891 CC(C)(O)\C=C\c1ccccc1 Amb32954377 [0,1,0,0,0,0|1,0,1]=3 1806 B12R1.891 CS(=O)(=O)\C=C\c1ccccc1 Amb4006709 [0,1,0,0,0,0|1,0,1]=3 1807 B12R1.891 C[Si](C)(C)\C=C\c1ccccc1 Amb26530802 [0,1,0,0,0,0|2,1,0]=4 1808 B12R1.891 F[B-](F)(F)\C=C\c1ccccc1 Amb6366028 [0,1,0,0,0,0|3,0,0]=4 1809 B12R1.891 NS(=O)(=O)\C=C\c1ccccc1 Amb34104901 [0,1,0,0,0,0|1,0,1]=3 1810 B12R1.891 O=P(Cl)(Cl)\C=C\c1ccccc1 Amb4297294 [0,1,0,0,0,0|2,0,0]=3 1811 B12R1.891 O=P(O)(Cl)CCc1ccccc1 Amb28435339 [0,1,0,0,0,0|1,0,2]=4 1812 B12R1.891 O=P(O)(O)C#Cc1ccccc1 Amb8505380 [0,1,0,0,0,0|1,0,2]=4 1813 B12R1.891 O=P(O)(O)CCc1ccccc1 Amb9786423 [0,1,0,0,0,0|1,0,2]=4 1814 B12R1.891 O=P(O)(O)OCc1ccccc1 Amb4297430 [0,1,0,0,0,0|2,0,1]=4 1815 B12R1.891 O=S(=O)(Cl)\C=C\c1ccccc1 Amb1149990 [0,1,0,0,0,0|1,0,1]=3 1816 B12R1.891 O=S(=O)(F)\C=C\c1ccccc1 Amb32661076 [0,1,0,0,0,0|1,0,1]=3 1817 B12R1.891 O=S(=O)(O)CCc1ccccc1 Amb19866568 [0,1,0,0,0,0|1,0,2]=4 1818 B12R1.891 O=S(=O)(O)NCc1ccccc1 Amb22551828 [0,1,0,0,0,0|2,0,1]=4 1819 B12R1.891 O=S(=O)(O)\C=C\c1ccccc1 Amb32664784 [0,1,0,0,0,0|1,0,0]=2 1820 B12R1.891 O=S(=O)([O-])\C=C\c1ccccc1 Amb8512119 [0,1,0,0,0,0|1,0,1]=3 1821 B10R0.78 C=CCNC(=O)\C=C/C(=O)O Amb2551348 [0,0,1,0,0,0|2,0,1]=4 1822 B10R0.78 C=CCNC(=O)\C=C\C(=O)O Amb1155200 [0,0,1,0,0,0|2,0,1]=4 1823 B10R0.78 C=CCOC(=O)\C=C\C(=O)O Amb24117067 [0,0,1,0,0,0|2,0,1]=4 1824 B12R2.11 OC1O\C1=C/c2ccccc2 Amb27589709 [0,0,0,1,0,0|0,0,2]=3 1825 B12R2.22 O=C1CC(c2ccccc2)C1 Amb6739873 [0,0,0,1,0,0|1,0,2]=4 1826 B12R2.22 O=C1CC(c2ccccc2)N1 Amb1993905 [0,0,0,1,0,0|1,0,2]=4 1827 B12R2.24 Brc1cc2ccccc2cn1 Amb8438943 [0,0,0,1,0,0|3,0,0]=4 1828 B12R2.24 Brc1cc[n+]2ccccc2c1 Amb2613514 [0,0,0,1,0,0|3,0,0]=4 1829 B12R2.24 Brc1ccc2cccc[n+]2c1 Amb24392821 [0,0,0,1,0,0|3,0,0]=4 1830 B12R2.24 Brc1ccc2ccccc2c1 Amb1159157 [0,0,0,1,0,0|2,0,0]=3 1831 B12R2.24 Brc1ccc2ccccc2n1 Amb8397285 [0,0,0,1,0,0|2,0,0]=3 1832 B12R2.24 Brc1ccc2cccnc2c1 Amb8397712 [0,0,0,1,0,0|3,0,0]=4 1833 B12R2.24 Brc1ccc2cccnc2n1 Amb2795056 [0,0,0,1,0,0|3,0,0]=4 1834 B12R2.24 Brc1ccc2ccncc2c1 Amb22276934 [0,0,0,1,0,0|3,0,0]=4 1835 B12R2.24 Brc1ccc2ccncc2c1 Amb7101503 [0,0,0,1,0,0|3,0,0]=4 1836 B12R2.24 Brc1ccc2ccncc2n1 Amb21962043 [0,0,0,1,0,0|3,0,0]=4 1837 B12R2.24 Brc1ccc2cnccc2c1 Amb33140904 [0,0,0,1,0,0|3,0,0]=4 1838 B12R2.24 Brc1ccc2cnccc2c1 Amb7101488 [0,0,0,1,0,0|3,0,0]=4 1839 B12R2.24 Brc1ccc2cnccc2n1 Amb10070412 [0,0,0,1,0,0|3,0,0]=4 1840 B12R2.24 Brc1ccc2ncccc2c1 Amb1033034 [0,0,0,1,0,0|3,0,0]=4 1841 B12R2.24 Brc1ccc2ncccc2c1 Amb19516224 [0,0,0,1,0,0|3,0,0]=4 1842 B12R2.24 Brc1ccc2ncccc2n1 Amb8438939 [0,0,0,1,0,0|3,0,0]=4 1843 B12R2.24 Brc1cnc2ccccc2c1 Amb2722485 [0,0,0,1,0,0|3,0,0]=4 1844 B12R2.24 Brc1cnc2ccccc2n1 Amb33538649 [0,0,0,1,0,0|3,0,0]=4 1845 B12R2.24 Brc1ncc2ccccc2n1 Amb23399840 [0,0,0,1,0,0|3,0,0]=4 1846 B12R2.24 C=C1CCc2ccccc2O1 Amb27210216 [0,0,0,1,0,0|1,0,2]=4 1847 B12R2.24 CC1C=Cc2ccccc2N1 Amb17593644 [0,0,0,1,0,0|2,0,1]=4 1848 B12R2.24 CC1C=Cc2ncccc2O1 Amb25700391 [0,0,0,1,0,0|2,0,1]=4 1849 B12R2.24 C[n+]1ccc2ccccc2c1 Amb1147460 [0,0,0,1,0,0|3,0,0]=4 1850 B12R2.24 C[n+]1ccc2ccccc2c1 Amb2609709 [0,0,0,1,0,0|3,0,0]=4 1851 B12R2.24 Cc1cc2ccccc2cn1 Amb8395994 [0,0,0,1,0,0|3,0,0]=4 1852 B12R2.24 Cc1ccc2ccccc2c1 Amb6608830 [0,0,0,1,0,0|2,0,0]=3 1853 B12R2.24 Cc1ccc2ccccc2n1 Amb1151967 [0,0,0,1,0,0|2,0,0]=3 1854 B12R2.24 Cc1ccc2ccccc2n1 Amb33249592 [0,0,0,1,0,0|2,0,0]=3 1855 B12R2.24 Cc1ccc2cccnc2c1 Amb8397711 [0,0,0,1,0,0|3,0,0]=4 1856 B12R2.24 Cc1ccc2cccnc2n1 Amb2793429 [0,0,0,1,0,0|3,0,0]=4 1857 B12R2.24 Cc1ccc2ccncc2c1 Amb33544176 [0,0,0,1,0,0|3,0,0]=4 1858 B12R2.24 Cc1ccc2ccncc2n1 Amb25305156 [0,0,0,1,0,0|3,0,0]=4 1859 B12R2.24 Cc1ccc2cnccc2c1 Amb10071945 [0,0,0,1,0,0|3,0,0]=4 1860 B12R2.24 Cc1ccc2cnccc2n1 Amb23441223 [0,0,0,1,0,0|3,0,0]=4 1861 B12R2.24 Cc1ccc2ncccc2c1 Amb22235973 [0,0,0,1,0,0|3,0,0]=4 1862 B12R2.24 Cc1ccc2ncccc2c1 Amb6892169 [0,0,0,1,0,0|3,0,0]=4 1863 B12R2.24 Cc1ccc2ncccc2n1 Amb15692772 [0,0,0,1,0,0|3,0,0]=4 1864 B12R2.24 Cc1cnc2ccccc2c1 Amb2447051 [0,0,0,1,0,0|3,0,0]=4 1865 B12R2.24 Cc1cnc2ccccc2n1 Amb4026338 [0,0,0,1,0,0|3,0,0]=4 1866 B12R2.24 Clc1cc2ccccc2cn1 Amb10071462 [0,0,0,1,0,0|3,0,0]=4 1867 B12R2.24 Clc1ccc2ccccc2c1 Amb6365655 [0,0,0,1,0,0|2,0,0]=3 1868 B12R2.24 Clc1ccc2ccccc2n1 Amb2611299 [0,0,0,1,0,0|2,0,0]=3 1869 B12R2.24 Clc1ccc2cccnc2c1 Amb10069239 [0,0,0,1,0,0|3,0,0]=4 1870 B12R2.24 Clc1ccc2cccnc2n1 Amb9806399 [0,0,0,1,0,0|3,0,0]=4 1871 B12R2.24 Clc1ccc2ccncc2c1 Amb32663641 [0,0,0,1,0,0|3,0,0]=4 1872 B12R2.24 Clc1ccc2ccncc2c1 Amb4007488 [0,0,0,1,0,0|3,0,0]=4 1873 B12R2.24 Clc1ccc2ccncc2n1 Amb4560931 [0,0,0,1,0,0|3,0,0]=4 1874 B12R2.24 Clc1ccc2cnccc2c1 Amb10603859 [0,0,0,1,0,0|3,0,0]=4 1875 B12R2.24 Clc1ccc2cnccc2n1 Amb10602045 [0,0,0,1,0,0|3,0,0]=4 1876 B12R2.24 Clc1ccc2ncccc2c1 Amb749944 [0,0,0,1,0,0|3,0,0]=4 1877 B12R2.24 Clc1ccc2ncccc2n1 Amb21856967 [0,0,0,1,0,0|3,0,0]=4 1878 B12R2.24 Clc1cnc2ccccc2c1 Amb19515997 [0,0,0,1,0,0|3,0,0]=4 1879 B12R2.24 Clc1cnc2ccccc2n1 Amb2371875 [0,0,0,1,0,0|3,0,0]=4 1880 B12R2.24 Clc1ncc2ccccc2n1 Amb6316147 [0,0,0,1,0,0|3,0,0]=4 1881 B12R2.24 Fc1ccc2ccccc2c1 Amb5544291 [0,0,0,1,0,0|2,0,0]=3 1882 B12R2.24 Fc1ccc2ccccc2n1 Amb20171185 [0,0,0,1,0,0|2,0,0]=3 1883 B12R2.24 Fc1ccc2cccnc2c1 Amb2622129 [0,0,0,1,0,0|3,0,0]=4 1884 B12R2.24 Fc1ccc2cccnc2n1 Amb24511773 [0,0,0,1,0,0|3,0,0]=4 1885 B12R2.24 Fc1ccc2ccncc2c1 Amb19100617 [0,0,0,1,0,0|3,0,0]=4 1886 B12R2.24 Fc1ccc2cnccc2c1 Amb19958275 [0,0,0,1,0,0|3,0,0]=4 1887 B12R2.24 Fc1ccc2cnccc2n1 Amb27798977 [0,0,0,1,0,0|3,0,0]=4 1888 B12R2.24 Fc1ccc2ncccc2c1 Amb22831215 [0,0,0,1,0,0|3,0,0]=4 1889 B12R2.24 Fc1ccc2ncccc2c1 Amb6892892 [0,0,0,1,0,0|3,0,0]=4 1890 B12R2.24 Fc1cnc2ccccc2c1 Amb22234447 [0,0,0,1,0,0|3,0,0]=4 1891 B12R2.24 Ic1cc2ccccc2cn1 Amb22170100 [0,0,0,1,0,0|3,0,0]=4 1892 B12R2.24 Ic1ccc2ccccc2c1 Amb4013025 [0,0,0,1,0,0|2,0,0]=3 1893 B12R2.24 Ic1ccc2ccccc2n1 Amb10604284 [0,0,0,1,0,0|2,0,0]=3 1894 B12R2.24 Ic1ccc2cccnc2c1 Amb21858708 [0,0,0,1,0,0|3,0,0]=4 1895 B12R2.24 Ic1ccc2ccncc2c1 Amb22170101 [0,0,0,1,0,0|3,0,0]=4 1896 B12R2.24 Ic1ccc2cnccc2c1 Amb10070847 [0,0,0,1,0,0|3,0,0]=4 1897 B12R2.24 Ic1ccc2ncccc2c1 Amb10066910 [0,0,0,1,0,0|3,0,0]=4 1898 B12R2.24 Ic1cnc2ccccc2c1 Amb19373724 [0,0,0,1,0,0|3,0,0]=4 1899 B12R2.24 Ic1cnc2ccccc2n1 Amb24084425 [0,0,0,1,0,0|3,0,0]=4 1900 B12R2.24 Ic1ncc2ccccc2n1 Amb27229523 [0,0,0,1,0,0|3,0,0]=4 1901 B12R2.24 NC1C=Cc2ccccc2C1 Amb17470378 [0,0,0,1,0,0|2,0,1]=4 1902 B12R2.24 NC1C=Cc2ccccc2O1 Amb24618074 [0,0,0,1,0,0|1,0,1]=3 1903 B12R2.24 N[C@H]1C=Cc2ccccc2C1 Amb27779859 [0,0,0,1,0,0|2,0,1]=4 1904 B12R2.24 Nc1cc2ccccc2cn1 Amb2722858 [0,0,0,1,0,0|3,0,0]=4 1905 B12R2.24 Nc1ccc2ccccc2c1 Amb22057457 [0,0,0,1,0,0|2,0,0]=3 1906 B12R2.24 Nc1ccc2ccccc2c1 Amb3940108 [0,0,0,1,0,0|2,0,0]=3 1907 B12R2.24 Nc1ccc2ccccc2n1 Amb1152993 [0,0,0,1,0,0|2,0,0]=3 1908 B12R2.24 Nc1ccc2cccnc2c1 Amb24183307 [0,0,0,1,0,0|3,0,0]=4 1909 B12R2.24 Nc1ccc2cccnc2c1 Amb31217512 [0,0,0,1,0,0|3,0,0]=4 1910 B12R2.24 Nc1ccc2cccnc2c1 Amb5717605 [0,0,0,1,0,0|3,0,0]=4 1911 B12R2.24 Nc1ccc2cccnc2n1 Amb2795032 [0,0,0,1,0,0|3,0,0]=4 1912 B12R2.24 Nc1ccc2ccncc2c1 Amb33456346 [0,0,0,1,0,0|3,0,0]=4 1913 B12R2.24 Nc1ccc2ccncc2c1 Amb8011457 [0,0,0,1,0,0|3,0,0]=4 1914 B12R2.24 Nc1ccc2ccncc2n1 Amb18124738 [0,0,0,1,0,0|3,0,0]=4 1915 B12R2.24 Nc1ccc2cnccc2c1 Amb33527576 [0,0,0,1,0,0|3,0,0]=4 1916 B12R2.24 Nc1ccc2cnccc2c1 Amb8010910 [0,0,0,1,0,0|3,0,0]=4 1917 B12R2.24 Nc1ccc2cnccc2n1 Amb2796045 [0,0,0,1,0,0|3,0,0]=4 1918 B12R2.24 Nc1ccc2cnccc2n1 Amb33329948 [0,0,0,1,0,0|3,0,0]=4 1919 B12R2.24 Nc1ccc2ncccc2c1 Amb2721017 [0,0,0,1,0,0|3,0,0]=4 1920 B12R2.24 Nc1ccc2ncccc2c1 Amb33536629 [0,0,0,1,0,0|3,0,0]=4 1921 B12R2.24 Nc1ccc2ncccc2n1 Amb2696937 [0,0,0,1,0,0|3,0,0]=4 1922 B12R2.24 Nc1cnc2ccccc2c1 Amb534917 [0,0,0,1,0,0|3,0,0]=4 1923 B12R2.24 Nc1cnc2ccccc2n1 Amb4135072 [0,0,0,1,0,0|3,0,0]=4 1924 B12R2.24 Nc1ncc2ccccc2n1 Amb8631314 [0,0,0,1,0,0|3,0,0]=4 1925 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Amb19958596 [0,0,0,1,0,0|2,0,0]=3 1926 B12R2.24 O=C1C=C2C=CC=CC2=NN1 Amb21864850 [0,0,0,1,0,0|3,0,0]=4 1927 B12R2.24 O=C1C=C2C=CC=NC2=CN1 Amb27239109 [0,0,0,1,0,0|3,0,0]=4 1928 B12R2.24 O=C1C=C2N=CC=CC2=CN1 Amb27642614 [0,0,0,1,0,0|3,0,0]=4 1929 B12R2.24 O=C1C=CN2N=CC=CC2=N1 Amb22497885 [0,0,0,1,0,0|3,0,0]=4 1930 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [0,0,0,1,0,0|1,0,0]=2 1931 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [0,0,0,1,0,0|0,0,0]=1 1932 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [0,0,0,1,0,0|1,0,0]=2 1933 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb28991227 [0,0,0,1,0,0|1,0,0]=2 1934 B12R2.24 O=C1C=Cc2cccnc2N1 Amb22001403 [0,0,0,1,0,0|2,0,0]=3 1935 B12R2.24 O=C1C=Cc2ccncc2N1 Amb22493786 [0,0,0,1,0,0|2,0,0]=3 1936 B12R2.24 O=C1C=Cc2ccncc2O1 Amb24395883 [0,0,0,1,0,0|1,0,0]=2 1937 B12R2.24 O=C1C=Cc2cnccc2N1 Amb21618693 [0,0,0,1,0,0|2,0,0]=3 1938 B12R2.24 O=C1C=Cc2ncccc2N1 Amb21856966 [0,0,0,1,0,0|2,0,0]=3 1939 B12R2.24 O=C1C=Cc2nccnc2N1 Amb19957771 [0,0,0,1,0,0|3,0,0]=4 1940 B12R2.24 O=C1C=Cc2ncncc2N1 Amb21811941 [0,0,0,1,0,0|3,0,0]=4 1941 B12R2.24 O=C1C=Nc2ccccc2N1 Amb18372452 [0,0,0,1,0,0|2,0,0]=3 1942 B12R2.24 O=C1C=Nc2cccnc2N1 Amb20461570 [0,0,0,1,0,0|3,0,0]=4 1943 B12R2.24 O=C1C=Nc2ccncc2N1 Amb18016830 [0,0,0,1,0,0|3,0,0]=4 1944 B12R2.24 O=C1CCc2ccccc2C1 Amb2383557 [0,0,0,1,0,0|1,0,2]=4 1945 B12R2.24 O=C1CCc2ccccc2N1 Amb6358187 [0,0,0,1,0,0|1,0,2]=4 1946 B12R2.24 O=C1CCc2ccccc2O1 Amb533490 [0,0,0,1,0,0|0,0,2]=3 1947 B12R2.24 O=C1CNc2ccccc2C1 Amb18202302 [0,0,0,1,0,0|2,0,1]=4 1948 B12R2.24 O=C1CNc2ccccc2N1 Amb6355388 [0,0,0,1,0,0|2,0,1]=4 1949 B12R2.24 O=C1CNc2ccccc2O1 Amb22166855 [0,0,0,1,0,0|1,0,1]=3 1950 B12R2.24 O=C1COc2ccccc2C1 Amb15692703 [0,0,0,1,0,0|2,0,1]=4 1951 B12R2.24 O=C1COc2ccccc2N1 Amb1011836 [0,0,0,1,0,0|2,0,1]=4 1952 B12R2.24 O=C1COc2ccccc2O1 Amb2759474 [0,0,0,1,0,0|1,0,1]=3 1953 B12R2.24 O=C1CSc2ccccc2C1 Amb22231635 [0,0,0,1,0,0|2,0,1]=4 1954 B12R2.24 O=C1CSc2ccccc2N1 Amb1007458 [0,0,0,1,0,0|2,0,1]=4 1955 B12R2.24 O=C1Cc2ccccc2CN1 Amb33544470 [0,0,0,1,0,0|2,0,1]=4 1956 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [0,0,0,1,0,0|2,0,1]=4 1957 B12R2.24 O=C1N=Cc2ccccc2N1 Amb20653982 [0,0,0,1,0,0|2,0,0]=3 1958 B12R2.24 O=C1N=Cc2ccccc2O1 Amb22054765 [0,0,0,1,0,0|1,0,0]=2 1959 B12R2.24 O=C1NCc2ccccc2O1 Amb27468708 [0,0,0,1,0,0|1,0,1]=3 1960 B12R2.24 O=C1Nc2ccccc2CO1 Amb19516356 [0,0,0,1,0,0|2,0,1]=4 1961 B12R2.24 O=c1ccn2ccccc2c1 Amb2609671 [0,0,0,1,0,0|2,0,0]=3 1962 B12R2.24 O=n1ccc2ccccc2c1 Amb20247039 [0,0,0,1,0,0|2,0,0]=3 1963 B12R2.24 OC1=CC=C2C=CC=CN2C1 Amb17835334 [0,0,0,1,0,0|2,0,0]=3 1964 B12R2.24 OC1=COc2ncccc2N1 Amb19516358 [0,0,0,1,0,0|3,0,0]=4 1965 B12R2.24 OC1=Nc2ccccc2OC1 Amb22330533 [0,0,0,1,0,0|2,0,1]=4 1966 B12R2.24 OC1C=Cc2ccccc2S1 Amb27394776 [0,0,0,1,0,0|0,1,1]=3 1967 B12R2.24 Oc1cc2ccccc2cn1 Amb10068513 [0,0,0,1,0,0|2,0,0]=3 1968 B12R2.24 Oc1cc2cnccc2cn1 Amb25051663 [0,0,0,1,0,0|3,0,0]=4 1969 B12R2.24 Oc1cc[n+]2ccccc2c1 Amb24309279 [0,0,0,1,0,0|2,0,0]=3 1970 B12R2.24 Oc1ccc2c(c1)C=CCC2 Amb28075248 [0,0,0,1,0,0|1,0,2]=4 1971 B12R2.24 Oc1ccc2c(c1)C=CCN2 Amb25998025 [0,0,0,1,0,0|2,0,1]=4 1972 B12R2.24 Oc1ccc2c(c1)OCC=C2 Amb27804492 [0,0,0,1,0,0|2,0,1]=4 1973 B12R2.24 Oc1ccc2ccccc2c1 Amb2609036 [0,0,0,1,0,0|1,0,0]=2 1974 B12R2.24 Oc1ccc2cccnc2c1 Amb33204453 [0,0,0,1,0,0|2,0,0]=3 1975 B12R2.24 Oc1ccc2cccnc2c1 Amb535010 [0,0,0,1,0,0|2,0,0]=3 1976 B12R2.24 Oc1ccc2cccnc2n1 Amb9806398 [0,0,0,1,0,0|2,0,0]=3 1977 B12R2.24 Oc1ccc2ccncc2c1 Amb1152014 [0,0,0,1,0,0|2,0,0]=3 1978 B12R2.24 Oc1ccc2ccncc2c1 Amb19373209 [0,0,0,1,0,0|2,0,0]=3 1979 B12R2.24 Oc1ccc2ccnnc2c1 Amb25319976 [0,0,0,1,0,0|3,0,0]=4 1980 B12R2.24 Oc1ccc2cnccc2c1 Amb10067627 [0,0,0,1,0,0|2,0,0]=3 1981 B12R2.24 Oc1ccc2cnccc2c1 Amb30325887 [0,0,0,1,0,0|2,0,0]=3 1982 B12R2.24 Oc1ccc2cncnc2c1 Amb24066333 [0,0,0,1,0,0|3,0,0]=4 1983 B12R2.24 Oc1ccc2cncnc2n1 Amb27958671 [0,0,0,1,0,0|3,0,0]=4 1984 B12R2.24 Oc1ccc2cnncc2c1 Amb28284891 [0,0,0,1,0,0|3,0,0]=4 1985 B12R2.24 Oc1ccc2ncccc2c1 Amb2609971 [0,0,0,1,0,0|2,0,0]=3 1986 B12R2.24 Oc1ccc2nccnc2c1 Amb2548376 [0,0,0,1,0,0|3,0,0]=4 1987 B12R2.24 Oc1ccc2ncncc2c1 Amb8484685 [0,0,0,1,0,0|3,0,0]=4 1988 B12R2.24 Oc1ccc2nnccc2c1 Amb26871668 [0,0,0,1,0,0|3,0,0]=4 1989 B12R2.24 Oc1cnc2ccccc2c1 Amb2610757 [0,0,0,1,0,0|2,0,0]=3 1990 B12R2.24 Oc1cnc2ccccc2n1 Amb2603786 [0,0,0,1,0,0|2,0,0]=3 1991 B12R2.24 Oc1cnc2cccnc2c1 Amb13890072 [0,0,0,1,0,0|3,0,0]=4 1992 B12R2.24 Oc1cnc2ccncc2c1 Amb27265400 [0,0,0,1,0,0|3,0,0]=4 1993 B12R2.24 Oc1cnc2ncccc2c1 Amb26616876 [0,0,0,1,0,0|3,0,0]=4 1994 B12R2.24 Oc1cnc2ncccc2c1 Amb32653317 [0,0,0,1,0,0|3,0,0]=4 1995 B12R2.24 Oc1nnc2ccccc2n1 Amb27445418 [0,0,0,1,0,0|3,0,0]=4 1996 B12R2.24 S=C1C=Cc2ccccc2N1 Amb18526983 [0,0,0,1,0,0|1,1,0]=3 1997 B12R2.24 S=C1C=Cc2cccnc2N1 Amb27233738 [0,0,0,1,0,0|2,1,0]=4 1998 B12R2.24 S=C1C=Nc2ccccc2N1 Amb18043605 [0,0,0,1,0,0|2,1,0]=4 1999 B12R2.24 S=C1OCc2ccccc2O1 Amb28060956 [0,0,0,1,0,0|1,1,1]=4 2000 B12R2.24 SC1=COc2ccccc2N1 Amb28204091 [0,0,0,1,0,0|2,1,0]=4 2001 B12R2.24 Sc1ccc2ccccc2c1 Amb1152959 [0,0,0,1,0,0|1,1,0]=3 2002 B12R2.24 Sc1ccc2ccccc2n1 Amb1151737 [0,0,0,1,0,0|1,1,0]=3 2003 B12R2.24 Sc1ccc2cccnc2c1 Amb25885524 [0,0,0,1,0,0|2,1,0]=4 2004 B12R2.24 Sc1ccc2ncccc2c1 Amb25076144 [0,0,0,1,0,0|2,1,0]=4 2005 B12R2.24 Sc1cnc2ccccc2c1 Amb23440777 [0,0,0,1,0,0|2,1,0]=4 2006 B12R2.24 Sc1cnc2ccccc2n1 Amb837074 [0,0,0,1,0,0|2,1,0]=4 2007 B12R2.24 Sc1ncc2ccccc2n1 Amb27229522 [0,0,0,1,0,0|2,1,0]=4 2008 B12R2.24 [Mg+]c1ccc2ccccc2c1 Amb22044011 [0,0,0,1,0,0|2,0,0]=3 2009 B12R2.24 [O-][n+]1ccc2ccccc2c1 Amb2609972 [0,0,0,1,0,0|2,0,1]=4 2010 B12R2.2057 C(=C\C1CO1)/c2ccccc2 Amb32954418 [0,0,0,1,0,0|1,0,1]=3 2011 B12R2.2057 C(=C\C1CO1)/c2ccncc2 Amb27818057 [0,0,0,1,0,0|2,0,1]=4 2012 B12R2.2057 C(=C\[C@@H]1CO1)/c2ccccc2 Amb33081122 [0,0,0,1,0,0|1,0,1]=3 2013 B12R2.2057 C(=C\[C@H]1CO1)/c2ccccc2 Amb33081121 [0,0,0,1,0,0|1,0,1]=3 2014 B12R2.2403 CC1(C)C=Cc2ccccc21 Amb17844051 [0,0,0,1,0,0|2,0,1]=4 2015 B12R2.2403 O=S1(=O)C=Cc2ccccc21 Amb6356379 [0,0,0,1,0,0|1,0,1]=3 2016 B12R2.2403 O=S1(=O)C=Cc2cccnc21 Amb24635508 [0,0,0,1,0,0|2,0,1]=4 2017 B12R2.2403 O=S1(=O)C=Cc2ncccc21 Amb28365435 [0,0,0,1,0,0|2,0,1]=4 2018 B12R2.3190 CC(=O)C1Cc2ccccc21 Amb28066759 [0,0,0,1,0,0|1,0,2]=4 2019 B12R2.3190 CC(=O)N1Cc2ccccc21 Amb25148191 [0,0,0,1,0,0|2,0,1]=4 2020 B12R2.3190 NC(=O)C1Cc2ccccc21 Amb25064297 [0,0,0,1,0,0|1,0,2]=4 2021 B12R2.3190 O=C(Cl)C1=C2C=CC=CC2=C1 Amb25779648 [0,0,0,1,0,0|1,0,0]=2 2022 B12R2.3190 O=C(Cl)C1Cc2ccccc21 Amb24745572 [0,0,0,1,0,0|1,0,2]=4 2023 B12R2.3190 O=C(O)C1=Cc2ccccc21 Amb17593654 [0,0,0,1,0,0|0,0,0]=1 2024 B12R2.3190 O=C(O)C1Cc2ccccc21 Amb4017188 [0,0,0,1,0,0|0,0,2]=3 2025 B10R1.18 BrC(Br)=Cc1ccccc1 Amb17843371 [0,0,0,0,1,0|2,0,0]=3 2026 B10R1.18 BrC(Br)=Cc1cccnc1 Amb24349522 [0,0,0,0,1,0|3,0,0]=4 2027 B10R1.18 BrC(Br)=Cc1ccncc1 Amb26516830 [0,0,0,0,1,0|3,0,0]=4 2028 B10R1.18 C=C(Br)Cc1ccccc1 Amb2685457 [0,0,0,0,1,0|2,0,1]=4 2029 B10R1.18 C=C(Cl)Cc1ccccc1 Amb27172505 [0,0,0,0,1,0|2,0,1]=4 2030 B10R1.18 C=C(N)Cc1ccccc1 Amb27424990 [0,0,0,0,1,0|2,0,1]=4 2031 B10R1.18 CC(=N)Nc1ccccc1 Amb1086198 [0,0,0,0,1,0|3,0,0]=4 2032 B10R1.18 CC(=O)C[n+]1ccccc1 Amb1102043 [0,0,0,0,1,0|2,0,1]=4 2033 B10R1.18 CC(=O)C[n+]1ccccc1 Amb4018023 [0,0,0,0,1,0|2,0,1]=4 2034 B10R1.18 CC(=O)C[n+]1ccccc1 Amb6366487 [0,0,0,0,1,0|2,0,1]=4 2035 B10R1.18 CC(=O)Cc1ccccc1 Amb4136401 [0,0,0,0,1,0|1,0,1]=3 2036 B10R1.18 CC(=O)Cc1ccccn1 Amb33527266 [0,0,0,0,1,0|2,0,1]=4 2037 B10R1.18 CC(=O)Cc1cccnc1 Amb10608569 [0,0,0,0,1,0|2,0,1]=4 2038 B10R1.18 CC(=O)Cc1cccnc1 Amb22587708 [0,0,0,0,1,0|2,0,1]=4 2039 B10R1.18 CC(=O)Cc1ccncc1 Amb17935754 [0,0,0,0,1,0|2,0,1]=4 2040 B10R1.18 CC(=O)Cc1ccncc1 Amb8390737 [0,0,0,0,1,0|2,0,1]=4 2041 B10R1.18 CC(=O)Nc1ccccc1 Amb6346349 [0,0,0,0,1,0|2,0,0]=3 2042 B10R1.18 CC(=O)Nc1ccccn1 Amb6374183 [0,0,0,0,1,0|3,0,0]=4 2043 B10R1.18 CC(=O)Nc1cccnc1 Amb6608635 [0,0,0,0,1,0|3,0,0]=4 2044 B10R1.18 CC(=O)Nc1ccncc1 Amb6395765 [0,0,0,0,1,0|3,0,0]=4 2045 B10R1.18 CC(=O)Oc1cccnc1 Amb6297781 [0,0,0,0,1,0|3,0,0]=4 2046 B10R1.18 CC(=O)Oc1ccncc1 Amb22522585 [0,0,0,0,1,0|3,0,0]=4 2047 B10R1.18 CC(=O)Sc1ccccc1 Amb10575810 [0,0,0,0,1,0|2,0,0]=3 2048 B10R1.18 CC(=O)Sc1cccnc1 Amb27429372 [0,0,0,0,1,0|3,0,0]=4 2049 B10R1.18 CC(=S)Nc1ccccc1 Amb2613341 [0,0,0,0,1,0|2,1,0]=4 2050 B10R1.18 CC(C)=Cc1ccccc1 Amb6296059 [0,0,0,0,1,0|2,0,0]=3 2051 B10R1.18 CC(C)=Cc1ccncc1 Amb27658833 [0,0,0,0,1,0|3,0,0]=4 2052 B10R1.18 CC(O)Cc1ccccc1 Amb3940116 [0,0,0,0,1,0|1,0,2]=4 2053 B10R1.18 CC(O)Nc1ccccc1 Amb27771797 [0,0,0,0,1,0|2,0,1]=4 2054 B10R1.18 CC(O)Oc1ccccc1 Amb27838966 [0,0,0,0,1,0|2,0,1]=4 2055 B10R1.18 CN(O)Cc1ccccc1 Amb27149097 [0,0,0,0,1,0|2,0,1]=4 2056 B10R1.18 CS(=O)Cc1ccccc1 Amb10565296 [0,0,0,0,1,0|2,0,1]=4 2057 B10R1.18 CS(=O)Nc1ccccc1 Amb27777995 [0,0,0,0,1,0|3,0,0]=4 2058 B10R1.18 C[C@@H](O)Cc1ccccc1 Amb17938083 [0,0,0,0,1,0|1,0,2]=4 2059 B10R1.18 C[C@H](O)Cc1ccccc1 Amb10068519 [0,0,0,0,1,0|1,0,2]=4 2060 B10R1.18 C\C(O)=C/c1ccccc1 Amb24095309 [0,0,0,0,1,0|1,0,0]=2 2061 B10R1.18 C\[N+]([O-])=C/c1ccccc1 Amb3988092 [0,0,0,0,1,0|2,0,1]=4 2062 B10R1.18 C\[N+]([O-])=C\c1ccccc1 Amb2420785 [0,0,0,0,1,0|2,0,1]=4 2063 B10R1.18 ClC(Cl)=Cc1ccccc1 Amb26554175 [0,0,0,0,1,0|2,0,0]=3 2064 B10R1.18 ClC(Cl)=Cc1ccccn1 Amb27603877 [0,0,0,0,1,0|3,0,0]=4 2065 B10R1.18 ClC(Cl)=Nc1ccccc1 Amb22336308 [0,0,0,0,1,0|3,0,0]=4 2066 B10R1.18 F\C(Br)=C\c1ccccc1 Amb24053589 [0,0,0,0,1,0|2,0,0]=3 2067 B10R1.18 N=C(N)Cc1ccccc1 Amb33551496 [0,0,0,0,1,0|2,0,1]=4 2068 B10R1.18 N=C(N)Cc1ccccc1 Amb745036 [0,0,0,0,1,0|2,0,1]=4 2069 B10R1.18 N=C(N)Nc1ccccc1 Amb20249360 [0,0,0,0,1,0|3,0,0]=4 2070 B10R1.18 N=C(N)Nc1ccccc1 Amb30982925 [0,0,0,0,1,0|3,0,0]=4 2071 B10R1.18 N=C(N)Nc1ccccc1 Amb8384582 [0,0,0,0,1,0|3,0,0]=4 2072 B10R1.18 N=C(N)Nc1ccccc1 Amb8629200 [0,0,0,0,1,0|3,0,0]=4 2073 B10R1.18 N=C(N)Sc1ccccc1 Amb27837617 [0,0,0,0,1,0|3,0,0]=4 2074 B10R1.18 N=C(N)[NH2+]c1ccccc1 Amb27773651 [0,0,0,0,1,0|3,0,0]=4 2075 B10R1.18 N=C(O)Nc1ccccc1 Amb19516159 [0,0,0,0,1,0|2,0,0]=3 2076 B10R1.18 NC(=O)C[n+]1ccccc1 Amb2684428 [0,0,0,0,1,0|2,0,1]=4 2077 B10R1.18 NC(=O)Cc1ccccc1 Amb1224937 [0,0,0,0,1,0|1,0,1]=3 2078 B10R1.18 NC(=O)Cc1cccnc1 Amb21856113 [0,0,0,0,1,0|2,0,1]=4 2079 B10R1.18 NC(=O)Cc1ccncc1 Amb4010849 [0,0,0,0,1,0|2,0,1]=4 2080 B10R1.18 NC(=O)Nc1ccccc1 Amb3106756 [0,0,0,0,1,0|2,0,0]=3 2081 B10R1.18 NC(=O)Nc1ccccn1 Amb2691587 [0,0,0,0,1,0|3,0,0]=4 2082 B10R1.18 NC(=O)Nc1cccnc1 Amb1137270 [0,0,0,0,1,0|3,0,0]=4 2083 B10R1.18 NC(=O)Nc1ccncc1 Amb23581130 [0,0,0,0,1,0|3,0,0]=4 2084 B10R1.18 NC(=O)Oc1ccccc1 Amb4037283 [0,0,0,0,1,0|2,0,0]=3 2085 B10R1.18 NC(=O)Sc1ccccc1 Amb28182472 [0,0,0,0,1,0|2,0,0]=3 2086 B10R1.18 NC(=S)Cc1ccccc1 Amb1646714 [0,0,0,0,1,0|1,1,1]=4 2087 B10R1.18 NC(=S)Nc1ccccc1 Amb6356934 [0,0,0,0,1,0|2,1,0]=4 2088 B10R1.18 NC(=S)Oc1ccccc1 Amb27453485 [0,0,0,0,1,0|2,1,0]=4 2089 B10R1.18 NC(=S)Sc1ccccc1 Amb27407677 [0,0,0,0,1,0|2,1,0]=4 2090 B10R1.18 NC(=[NH2+])Nc1ccccc1 Amb22734963 [0,0,0,0,1,0|3,0,0]=4 2091 B10R1.18 NC(N)=Nc1ccccc1 Amb2722869 [0,0,0,0,1,0|3,0,0]=4 2092 B10R1.18 NC(O)Cc1ccccc1 Amb25348475 [0,0,0,0,1,0|1,0,2]=4 2093 B10R1.18 NS(=O)Cc1ccccc1 Amb28370210 [0,0,0,0,1,0|2,0,1]=4 2094 B10R1.18 O=C(Br)Cc1ccccc1 Amb2609678 [0,0,0,0,1,0|1,0,1]=3 2095 B10R1.18 O=C(Br)Nc1ccccc1 Amb27229968 [0,0,0,0,1,0|2,0,0]=3 2096 B10R1.18 O=C(Cl)Cc1ccccc1 Amb2792901 [0,0,0,0,1,0|1,0,1]=3 2097 B10R1.18 O=C(Cl)Cc1ccccn1 Amb26458529 [0,0,0,0,1,0|2,0,1]=4 2098 B10R1.18 O=C(Cl)Cc1cccnc1 Amb24605722 [0,0,0,0,1,0|2,0,1]=4 2099 B10R1.18 O=C(Cl)Nc1ccccc1 Amb24425698 [0,0,0,0,1,0|2,0,0]=3 2100 B10R1.18 O=C(Cl)Nc1cccnc1 Amb35637042 [0,0,0,0,1,0|3,0,0]=4 2101 B10R1.18 O=C(Cl)Nc1ccncc1 Amb32789666 [0,0,0,0,1,0|3,0,0]=4 2102 B10R1.18 O=C(Cl)Oc1ccccc1 Amb6296594 [0,0,0,0,1,0|2,0,0]=3 2103 B10R1.18 O=C(Cl)Oc1ccccn1 Amb33296824 [0,0,0,0,1,0|3,0,0]=4 2104 B10R1.18 O=C(Cl)Oc1cccnc1 Amb26956091 [0,0,0,0,1,0|3,0,0]=4 2105 B10R1.18 O=C(Cl)Oc1ccncc1 Amb33297023 [0,0,0,0,1,0|3,0,0]=4 2106 B10R1.18 O=C(Cl)Sc1ccccc1 Amb4006578 [0,0,0,0,1,0|2,0,0]=3 2107 B10R1.18 O=C(Cl)[NH2+]c1ccccc1 Amb9787354 [0,0,0,0,1,0|2,0,0]=3 2108 B10R1.18 O=C(F)Nc1ccccc1 Amb22731751 [0,0,0,0,1,0|2,0,0]=3 2109 B10R1.18 O=C(O)CC1=CCC=CC1 Amb24120619 [0,0,0,0,1,0|0,0,3]=4 2110 B10R1.18 O=C(O)C[n+]1ccccc1 Amb23468426 [0,0,0,0,1,0|1,0,1]=3 2111 B10R1.18 O=C(O)Cc1cc[nH+]cc1 Amb24113836 [0,0,0,0,1,0|1,0,1]=3 2112 B10R1.18 O=C(O)Cc1cccc[nH+]1 Amb24113838 [0,0,0,0,1,0|1,0,1]=3 2113 B10R1.18 O=C(O)Cc1ccccc1 Amb6461144 [0,0,0,0,1,0|0,0,1]=2 2114 B10R1.18 O=C(O)Cc1ccccn1 Amb2720201 [0,0,0,0,1,0|1,0,1]=3 2115 B10R1.18 O=C(O)Cc1ccccn1 Amb3940142 [0,0,0,0,1,0|1,0,1]=3 2116 B10R1.18 O=C(O)Cc1cccnc1 Amb2720203 [0,0,0,0,1,0|1,0,1]=3 2117 B10R1.18 O=C(O)Cc1cccnc1 Amb2720470 [0,0,0,0,1,0|1,0,1]=3 2118 B10R1.18 O=C(O)Cc1cccnn1 Amb33806311 [0,0,0,0,1,0|2,0,1]=4 2119 B10R1.18 O=C(O)Cc1cccnn1 Amb8009415 [0,0,0,0,1,0|2,0,1]=4 2120 B10R1.18 O=C(O)Cc1ccncc1 Amb2720202 [0,0,0,0,1,0|1,0,1]=3 2121 B10R1.18 O=C(O)Cc1ccncc1 Amb3940535 [0,0,0,0,1,0|1,0,1]=3 2122 B10R1.18 O=C(O)Cc1ccncn1 Amb8009416 [0,0,0,0,1,0|2,0,1]=4 2123 B10R1.18 O=C(O)Cc1ccnnc1 Amb33806312 [0,0,0,0,1,0|2,0,1]=4 2124 B10R1.18 O=C(O)Cc1ccnnc1 Amb8009417 [0,0,0,0,1,0|2,0,1]=4 2125 B10R1.18 O=C(O)Cc1cnccn1 Amb10602133 [0,0,0,0,1,0|2,0,1]=4 2126 B10R1.18 O=C(O)Cc1cnccn1 Amb19929342 [0,0,0,0,1,0|2,0,1]=4 2127 B10R1.18 O=C(O)Cc1cncnc1 Amb33539086 [0,0,0,0,1,0|2,0,1]=4 2128 B10R1.18 O=C(O)Cc1cncnc1 Amb8009418 [0,0,0,0,1,0|2,0,1]=4 2129 B10R1.18 O=C(O)Cc1ncccn1 Amb7101493 [0,0,0,0,1,0|2,0,1]=4 2130 B10R1.18 O=C(O)Nc1ccccc1 Amb34916595 [0,0,0,0,1,0|1,0,0]=2 2131 B10R1.18 O=C(O)Nc1cccnc1 Amb24102579 [0,0,0,0,1,0|2,0,0]=3 2132 B10R1.18 O=C(O)Nc1ccncc1 Amb24070647 [0,0,0,0,1,0|2,0,0]=3 2133 B10R1.18 O=C(O)Nc1ncccn1 Amb24085046 [0,0,0,0,1,0|3,0,0]=4 2134 B10R1.18 O=C([O-])Cc1ccccc1 Amb20240609 [0,0,0,0,1,0|0,0,2]=3 2135 B10R1.18 O=C([O-])Cc1ccccc1 Amb20246797 [0,0,0,0,1,0|0,0,2]=3 2136 B10R1.18 O=C([O-])Cc1ccccn1 Amb22000882 [0,0,0,0,1,0|1,0,2]=4 2137 B10R1.18 O=C([O-])Cc1cccnc1 Amb33513106 [0,0,0,0,1,0|1,0,2]=4 2138 B10R1.18 O=C([O-])Oc1ccccc1 Amb5540415 [0,0,0,0,1,0|1,0,1]=3 2139 B10R1.18 O=S(Cl)Cc1ccccc1 Amb28050330 [0,0,0,0,1,0|2,0,1]=4 2140 B10R1.18 O=S(O)Cc1ccccc1 Amb27872793 [0,0,0,0,1,0|1,0,1]=3 2141 B10R1.18 O=S(O)Oc1ccccc1 Amb27964140 [0,0,0,0,1,0|2,0,0]=3 2142 B10R1.18 O=S([O-])Cc1ccccc1 Amb28430335 [0,0,0,0,1,0|1,0,2]=4 2143 B10R1.18 O=[N+]([O-])Cc1ccccc1 Amb10606416 [0,0,0,0,1,0|1,0,2]=4 2144 B10R1.18 O=[N+]([O-])Nc1ccccc1 Amb17939349 [0,0,0,0,1,0|2,0,1]=4 2145 B10R1.18 O=[PH](O)Cc1ccccc1 Amb24617740 [0,0,0,0,1,0|1,0,1]=3 2146 B10R1.18 OB(O)Cc1ccccc1 Amb10071580 [0,0,0,0,1,0|1,0,2]=4 2147 B10R1.18 OB(O)Nc1ccccc1 Amb27630373 [0,0,0,0,1,0|2,0,1]=4 2148 B10R1.18 OC(=S)Cc1ccccc1 Amb22262974 [0,0,0,0,1,0|0,1,1]=3 2149 B10R1.18 OC(Cl)Cc1ccccc1 Amb27228646 [0,0,0,0,1,0|1,0,2]=4 2150 B10R1.18 OC(Cl)Oc1ccccc1 Amb28255528 [0,0,0,0,1,0|2,0,1]=4 2151 B10R1.18 OC(F)Cc1ccccc1 Amb25147731 [0,0,0,0,1,0|1,0,2]=4 2152 B10R1.18 OC(O)Oc1ccccc1 Amb27790325 [0,0,0,0,1,0|1,0,2]=4 2153 B10R1.18 S=C(Cl)Cc1ccccc1 Amb28203639 [0,0,0,0,1,0|1,1,1]=4 2154 B10R1.18 S=C(Cl)Oc1ccccc1 Amb6365789 [0,0,0,0,1,0|2,1,0]=4 2155 B10R1.18 S=C(Cl)Sc1ccccc1 Amb9800285 [0,0,0,0,1,0|2,1,0]=4 2156 B10R1.18 S=C(S)Nc1ccccc1 Amb28049925 [0,0,0,0,1,0|1,2,0]=4 2157 B10R1.18 [O-]\[N+](O)=C/c1ccncc1 Amb27813736 [0,0,0,0,1,0|2,0,1]=4 2158 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [0,0,0,0,1,0|2,0,0]=3 2159 B10R1.66 CC(=O)\C=C\c1ccco1 Amb6608963 [0,0,0,0,1,0|2,0,0]=3 2160 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [0,0,0,0,1,0|2,0,0]=3 2161 B10R1.66 CC(=O)\C=C\c1ccns1 Amb35720406 [0,0,0,0,1,0|3,0,0]=4 2162 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [0,0,0,0,1,0|2,0,0]=3 2163 B10R1.66 CC(=O)\C=C\c1ccon1 Amb33199366 [0,0,0,0,1,0|3,0,0]=4 2164 B10R1.66 CC(=O)\C=C\c1ccsc1 Amb22370887 [0,0,0,0,1,0|2,0,0]=3 2165 B10R1.66 CC(=O)\C=C\c1cnco1 Amb33319933 [0,0,0,0,1,0|3,0,0]=4 2166 B10R1.66 CC(=O)\C=C\c1cncs1 Amb33359799 [0,0,0,0,1,0|3,0,0]=4 2167 B10R1.66 CC(=O)\C=C\c1cnsc1 Amb26986340 [0,0,0,0,1,0|3,0,0]=4 2168 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [0,0,0,0,1,0|3,0,0]=4 2169 B10R1.66 CC(=O)\C=C\c1nccs1 Amb33449103 [0,0,0,0,1,0|3,0,0]=4 2170 B10R1.66 CC(O)CC=C1C=CC=C1 Amb28197408 [0,0,0,0,1,0|1,0,2]=4 2171 B10R1.66 CC(O)\C=C\c1ccco1 Amb24504965 [0,0,0,0,1,0|2,0,1]=4 2172 B10R1.66 CC(O)\C=C\c1cccs1 Amb25097279 [0,0,0,0,1,0|2,0,1]=4 2173 B10R1.66 CC(O)\C=C\c1ccsc1 Amb28245048 [0,0,0,0,1,0|2,0,1]=4 2174 B10R1.66 C[C@@H](O)\C=C\c1cccs1 Amb28050630 [0,0,0,0,1,0|2,0,1]=4 2175 B10R1.66 C[C@H](O)\C=C\c1cccs1 Amb28050629 [0,0,0,0,1,0|2,0,1]=4 2176 B10R1.66 NC(=O)\C=C/c1ccoc1 Amb27493171 [0,0,0,0,1,0|2,0,0]=3 2177 B10R1.66 NC(=O)\C=C\c1ccco1 Amb6387328 [0,0,0,0,1,0|2,0,0]=3 2178 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [0,0,0,0,1,0|2,0,0]=3 2179 B10R1.66 NC(=O)\C=C\c1ccns1 Amb24558336 [0,0,0,0,1,0|3,0,0]=4 2180 B10R1.66 NC(=O)\C=C\c1cscn1 Amb28370560 [0,0,0,0,1,0|3,0,0]=4 2181 B10R1.66 NC(=S)\C=C/c1ccco1 Amb18108368 [0,0,0,0,1,0|2,1,0]=4 2182 B10R1.66 O=C(Cl)\C=C/c1ccco1 Amb26581586 [0,0,0,0,1,0|2,0,0]=3 2183 B10R1.66 O=C(Cl)\C=C\c1ccco1 Amb16230244 [0,0,0,0,1,0|2,0,0]=3 2184 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [0,0,0,0,1,0|2,0,0]=3 2185 B10R1.66 O=C(Cl)\C=C\c1ccsc1 Amb8385105 [0,0,0,0,1,0|2,0,0]=3 2186 B10R1.66 O=C(O)C#Cc1ccco1 Amb20672984 [0,0,0,0,1,0|1,0,2]=4 2187 B10R1.66 O=C(O)C#Cc1cccs1 Amb17138439 [0,0,0,0,1,0|1,0,2]=4 2188 B10R1.66 O=C(O)C#Cc1ccoc1 Amb25873565 [0,0,0,0,1,0|1,0,2]=4 2189 B10R1.66 O=C(O)C#Cc1ccsc1 Amb27770370 [0,0,0,0,1,0|1,0,2]=4 2190 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [0,0,0,0,1,0|1,0,2]=4 2191 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [0,0,0,0,1,0|1,0,2]=4 2192 B10R1.66 O=C(O)CCc1ccoc1 Amb18643489 [0,0,0,0,1,0|1,0,2]=4 2193 B10R1.66 O=C(O)CCc1ccsc1 Amb1153814 [0,0,0,0,1,0|1,0,2]=4 2194 B10R1.66 O=C(O)CCn1cccc1 Amb1130611 [0,0,0,0,1,0|1,0,2]=4 2195 B10R1.66 O=C(O)CNc1ccco1 Amb27846560 [0,0,0,0,1,0|2,0,1]=4 2196 B10R1.66 O=C(O)CNc1cccs1 Amb26516474 [0,0,0,0,1,0|2,0,1]=4 2197 B10R1.66 O=C(O)CNc1ccsc1 Amb25322129 [0,0,0,0,1,0|2,0,1]=4 2198 B10R1.66 O=C(O)COc1ccco1 Amb28050105 [0,0,0,0,1,0|2,0,1]=4 2199 B10R1.66 O=C(O)COc1cccs1 Amb27233232 [0,0,0,0,1,0|2,0,1]=4 2200 B10R1.66 O=C(O)COc1ccoc1 Amb33360335 [0,0,0,0,1,0|2,0,1]=4 2201 B10R1.66 O=C(O)COc1ccsc1 Amb18126122 [0,0,0,0,1,0|2,0,1]=4 2202 B10R1.66 O=C(O)CSc1ccco1 Amb27975289 [0,0,0,0,1,0|2,0,1]=4 2203 B10R1.66 O=C(O)CSc1cccs1 Amb2796029 [0,0,0,0,1,0|2,0,1]=4 2204 B10R1.66 O=C(O)CSc1ccsc1 Amb2611518 [0,0,0,0,1,0|2,0,1]=4 2205 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [0,0,0,0,1,0|1,0,0]=2 2206 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [0,0,0,0,1,0|1,0,0]=2 2207 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [0,0,0,0,1,0|1,0,0]=2 2208 B10R1.66 O=C(O)\C=C\C1=CCCC1 Amb18643237 [0,0,0,0,1,0|0,0,3]=4 2209 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [0,0,0,0,1,0|1,0,0]=2 2210 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [0,0,0,0,1,0|1,0,0]=2 2211 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [0,0,0,0,1,0|1,0,0]=2 2212 B10R1.66 O=C(O)\C=C\c1ccno1 Amb27851739 [0,0,0,0,1,0|2,0,0]=3 2213 B10R1.66 O=C(O)\C=C\c1ccns1 Amb27234709 [0,0,0,0,1,0|2,0,0]=3 2214 B10R1.66 O=C(O)\C=C\c1ccoc1 Amb33946022 [0,0,0,0,1,0|1,0,0]=2 2215 B10R1.66 O=C(O)\C=C\c1ccon1 Amb33198351 [0,0,0,0,1,0|2,0,0]=3 2216 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [0,0,0,0,1,0|1,0,0]=2 2217 B10R1.66 O=C(O)\C=C\c1ccsn1 Amb24624065 [0,0,0,0,1,0|2,0,0]=3 2218 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [0,0,0,0,1,0|2,0,0]=3 2219 B10R1.66 O=C(O)\C=C\c1cncs1 Amb33473685 [0,0,0,0,1,0|2,0,0]=3 2220 B10R1.66 O=C(O)\C=C\c1cnns1 Amb33470055 [0,0,0,0,1,0|3,0,0]=4 2221 B10R1.66 O=C(O)\C=C\c1cnsc1 Amb28239806 [0,0,0,0,1,0|2,0,0]=3 2222 B10R1.66 O=C(O)\C=C\c1cnsn1 Amb18644786 [0,0,0,0,1,0|3,0,0]=4 2223 B10R1.66 O=C(O)\C=C\c1cocn1 Amb24638306 [0,0,0,0,1,0|2,0,0]=3 2224 B10R1.66 O=C(O)\C=C\c1cscn1 Amb8836304 [0,0,0,0,1,0|2,0,0]=3 2225 B10R1.66 O=C(O)\C=C\c1csnn1 Amb33079448 [0,0,0,0,1,0|3,0,0]=4 2226 B10R1.66 O=C(O)\C=C\c1ncco1 Amb26921286 [0,0,0,0,1,0|2,0,0]=3 2227 B10R1.66 O=C(O)\C=C\c1nccs1 Amb8836307 [0,0,0,0,1,0|2,0,0]=3 2228 B10R1.66 O=C(O)\C=C\n1ccnc1 Amb26919413 [0,0,0,0,1,0|2,0,0]=3 2229 B10R1.66 O=C([O-])\C=C\c1ccsc1 Amb33512980 [0,0,0,0,1,0|1,0,1]=3 2230 B10R1.66 O=N(=O)\C=C\c1cccs1 Amb20621961 [0,0,0,0,1,0|2,0,1]=4 2231 B10R1.66 O=[N+]([O-])\C=C/c1cccs1 Amb4015634 [0,0,0,0,1,0|2,0,1]=4 2232 B10R1.66 O=[N+]([O-])\C=C\c1ccco1 Amb6316064 [0,0,0,0,1,0|2,0,1]=4 2233 B10R1.66 O=[N+]([O-])\C=C\c1cccs1 Amb6739796 [0,0,0,0,1,0|2,0,1]=4 2234 B10R1.66 O=[N+]([O-])\C=C\c1ccoc1 Amb22643231 [0,0,0,0,1,0|2,0,1]=4 2235 B10R1.66 O=[N+]([O-])\C=C\c1ccsc1 Amb2764123 [0,0,0,0,1,0|2,0,1]=4 2236 B10R1.66 OB(O)\C=C\c1ccco1 Amb27760362 [0,0,0,0,1,0|2,0,1]=4 2237 B10R1.66 OB(O)\C=C\c1cccs1 Amb25790951 [0,0,0,0,1,0|2,0,1]=4 2238 B10R1.66 OB(O)\C=C\c1ccoc1 Amb26508479 [0,0,0,0,1,0|2,0,1]=4 2239 B10R1.66 OB(O)\C=C\c1ccsc1 Amb25980634 [0,0,0,0,1,0|2,0,1]=4 2240 B12R1.252 CC(=O)C#CCc1ccccc1 Amb27177980 [0,0,0,0,0,1|1,0,2]=4 2241 B12R1.252 CC(=O)CC#Cc1ccccc1 Amb28122481 [0,0,0,0,0,1|1,0,2]=4 2242 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [0,0,0,0,0,1|1,0,2]=4 2243 B12R1.252 CC(=O)CCNc1ccccc1 Amb26422328 [0,0,0,0,0,1|1,0,2]=4 2244 B12R1.252 CC(=O)CCOc1ccccc1 Amb7777351 [0,0,0,0,0,1|1,0,2]=4 2245 B12R1.252 CC(=O)CCSc1ccccc1 Amb4020770 [0,0,0,0,0,1|1,0,2]=4 2246 B12R1.252 CC(=O)COCc1ccccc1 Amb3433615 [0,0,0,0,0,1|1,0,2]=4 2247 B12R1.252 CC(=O)CONc1ccccc1 Amb28243855 [0,0,0,0,0,1|2,0,1]=4 2248 B12R1.252 CC(=O)CSCc1ccccc1 Amb4018341 [0,0,0,0,0,1|1,0,2]=4 2249 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [0,0,0,0,0,1|1,0,0]=2 2250 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [0,0,0,0,0,1|1,0,1]=3 2251 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [0,0,0,0,0,1|1,0,2]=4 2252 B12R1.252 CC(=O)NCSc1ccccc1 Amb27797274 [0,0,0,0,0,1|2,0,1]=4 2253 B12R1.252 CC(=O)N\N=C\c1ccccc1 Amb2732164 [0,0,0,0,0,1|2,0,0]=3 2254 B12R1.252 CC(=O)N\N=C\c1ccccn1 Amb6878917 [0,0,0,0,0,1|3,0,0]=4 2255 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [0,0,0,0,0,1|1,0,2]=4 2256 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,0,1|1,0,0]=2 2257 B12R1.252 CC(=O)\C=C/Nc1ccccc1 Amb28461253 [0,0,0,0,0,1|1,0,0]=2 2258 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb32954414 [0,0,0,0,0,1|1,0,0]=2 2259 B12R1.252 CC(=O)\C=C\N=C1C=CNC=C1 Amb25351670 [0,0,0,0,0,1|2,0,0]=3 2260 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [0,0,0,0,0,1|1,0,0]=2 2261 B12R1.252 CC(=O)\C=C\Nc1ccccn1 Amb22490408 [0,0,0,0,0,1|2,0,0]=3 2262 B12R1.252 CC(=O)\C=C\Oc1ccccc1 Amb26528572 [0,0,0,0,0,1|1,0,0]=2 2263 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb35789855 [0,0,0,0,0,1|1,0,0]=2 2264 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [0,0,0,0,0,1|2,0,0]=3 2265 B12R1.252 CC(=O)\[C+]=N\[N-]c1ccccc1 Amb27614630 [0,0,0,0,0,1|2,0,1]=4 2266 B12R1.252 CC(Br)C\C=C\c1ccccc1 Amb33080969 [0,0,0,0,0,1|2,0,1]=4 2267 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [0,0,0,0,0,1|2,0,1]=4 2268 B12R1.252 CC(C)=CCNc1ccccc1 Amb27638094 [0,0,0,0,0,1|2,0,1]=4 2269 B12R1.252 CC(C)=CCSc1ccccc1 Amb8394723 [0,0,0,0,0,1|2,0,1]=4 2270 B12R1.252 CC(C)=C\C=C/c1ccccn1 Amb22546609 [0,0,0,0,0,1|3,0,0]=4 2271 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb28143072 [0,0,0,0,0,1|2,0,0]=3 2272 B12R1.252 CC(Cl)\C=C\Sc1ccccc1 Amb27401898 [0,0,0,0,0,1|2,0,1]=4 2273 B12R1.252 CC(N)C\C=C\c1ccccc1 Amb25970039 [0,0,0,0,0,1|2,0,1]=4 2274 B12R1.252 CC(N)\C=C\Cc1ccccc1 Amb32953143 [0,0,0,0,0,1|2,0,1]=4 2275 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb32954303 [0,0,0,0,0,1|1,0,1]=3 2276 B12R1.252 CC(O)C\C=N\c1ccccc1 Amb27948769 [0,0,0,0,0,1|1,0,2]=4 2277 B12R1.252 CC(O)\C=C\Sc1ccccc1 Amb28294251 [0,0,0,0,0,1|1,0,1]=3 2278 B12R1.252 CN(O)C\C=C\c1ccccc1 Amb33081135 [0,0,0,0,0,1|2,0,0]=3 2279 B12R1.252 CS(=O)\N=C\Cc1ccccc1 Amb35681654 [0,0,0,0,0,1|2,0,1]=4 2280 B12R1.252 C[C@@H](N)C\C=C\c1ccccc1 Amb33080763 [0,0,0,0,0,1|2,0,1]=4 2281 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb32954522 [0,0,0,0,0,1|1,0,1]=3 2282 B12R1.252 C[C@H](N)C\C=C\c1ccccc1 Amb33080767 [0,0,0,0,0,1|2,0,1]=4 2283 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb32954836 [0,0,0,0,0,1|1,0,1]=3 2284 B12R1.252 C\C(Cl)=C\CNc1ccccc1 Amb4303986 [0,0,0,0,0,1|2,0,1]=4 2285 B12R1.252 C\C(N)=N\C=C\c1ccccc1 Amb28457490 [0,0,0,0,0,1|2,0,0]=3 2286 B12R1.252 C\C(N)=N\N=C\c1ccccc1 Amb25362013 [0,0,0,0,0,1|3,0,0]=4 2287 B12R1.252 ClC(Cl)=CCCc1ccccc1 Amb27443084 [0,0,0,0,0,1|2,0,1]=4 2288 B12R1.252 ClC(Cl)=CCOc1ccccc1 Amb29866947 [0,0,0,0,0,1|2,0,1]=4 2289 B12R1.252 ClC(Cl)=CNCc1ccccc1 Amb2793552 [0,0,0,0,0,1|2,0,1]=4 2290 B12R1.252 ClP(Cl)\C=C\Oc1ccccc1 Amb4297323 [0,0,0,0,0,1|3,0,0]=4 2291 B12R1.252 N=C(N)C\C=C\c1ccccc1 Amb27652946 [0,0,0,0,0,1|2,0,0]=3 2292 B12R1.252 N=C(N)N\C=N\c1ccccc1 Amb24550657 [0,0,0,0,0,1|3,0,0]=4 2293 B12R1.252 N=C(N)N\N=C/c1ccccc1 Amb598038 [0,0,0,0,0,1|3,0,0]=4 2294 B12R1.252 N=C(N)N\N=C\c1ccccc1 Amb1147507 [0,0,0,0,0,1|3,0,0]=4 2295 B12R1.252 NC(=O)CC#Cc1ccccc1 Amb28256571 [0,0,0,0,0,1|1,0,2]=4 2296 B12R1.252 NC(=O)CCCc1ccccc1 Amb3886649 [0,0,0,0,0,1|1,0,2]=4 2297 B12R1.252 NC(=O)CCNc1ccccc1 Amb453169 [0,0,0,0,0,1|1,0,2]=4 2298 B12R1.252 NC(=O)CCOc1ccccc1 Amb8997689 [0,0,0,0,0,1|1,0,2]=4 2299 B12R1.252 NC(=O)CCSc1ccccc1 Amb3836115 [0,0,0,0,0,1|1,0,2]=4 2300 B12R1.252 NC(=O)CNCc1ccccc1 Amb2696395 [0,0,0,0,0,1|1,0,2]=4 2301 B12R1.252 NC(=O)COCc1ccccc1 Amb8858432 [0,0,0,0,0,1|1,0,2]=4 2302 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [0,0,0,0,0,1|1,0,2]=4 2303 B12R1.252 NC(=O)NCSc1ccccc1 Amb28200898 [0,0,0,0,0,1|2,0,1]=4 2304 B12R1.252 NC(=O)NOCc1ccccc1 Amb1199324 [0,0,0,0,0,1|2,0,1]=4 2305 B12R1.252 NC(=O)N\N=C/c1ccccc1 Amb2610534 [0,0,0,0,0,1|2,0,0]=3 2306 B12R1.252 NC(=O)N\N=C\c1ccccc1 Amb4383215 [0,0,0,0,0,1|2,0,0]=3 2307 B12R1.252 NC(=O)N\N=C\c1cccnc1 Amb4390087 [0,0,0,0,0,1|3,0,0]=4 2308 B12R1.252 NC(=O)N\N=C\c1ccncc1 Amb8504449 [0,0,0,0,0,1|3,0,0]=4 2309 B12R1.252 NC(=S)C\C=C\c1ccccc1 Amb25112081 [0,0,0,0,0,1|1,1,0]=3 2310 B12R1.252 NC(=S)N\N=C\c1ccccc1 Amb6318869 [0,0,0,0,0,1|2,1,0]=4 2311 B12R1.252 NC(N)=N\N=C\c1ccccc1 Amb2755669 [0,0,0,0,0,1|3,0,0]=4 2312 B12R1.252 N\C(S)=N\N=C/c1ccccc1 Amb1264516 [0,0,0,0,0,1|2,1,0]=4 2313 B12R1.252 N\C(S)=N\N=C\c1ccccc1 Amb19987045 [0,0,0,0,0,1|2,1,0]=4 2314 B12R1.252 O=C(Cl)CCCc1ccccc1 Amb2792925 [0,0,0,0,0,1|1,0,2]=4 2315 B12R1.252 O=C(Cl)CCOc1ccccc1 Amb33528394 [0,0,0,0,0,1|1,0,2]=4 2316 B12R1.252 O=C(Cl)CCSc1ccccc1 Amb10064363 [0,0,0,0,0,1|1,0,2]=4 2317 B12R1.252 O=C(Cl)COCc1ccccc1 Amb3939158 [0,0,0,0,0,1|1,0,2]=4 2318 B12R1.252 O=C(Cl)CSCc1ccccc1 Amb10880013 [0,0,0,0,0,1|1,0,2]=4 2319 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [0,0,0,0,0,1|1,0,0]=2 2320 B12R1.252 O=C(Cl)OCCc1ccccc1 Amb32661047 [0,0,0,0,0,1|1,0,2]=4 2321 B12R1.252 O=C(O)C#CSc1ccccc1 Amb27645390 [0,0,0,0,0,1|0,0,2]=3 2322 B12R1.252 O=C(O)C=C=Cc1ccccc1 Amb25102534 [0,0,0,0,0,1|0,0,0]=1 2323 B12R1.252 O=C(O)CC#Cc1ccccc1 Amb18296382 [0,0,0,0,0,1|0,0,2]=3 2324 B12R1.252 O=C(O)CC#Cc1ccccn1 Amb27222218 [0,0,0,0,0,1|1,0,2]=4 2325 B12R1.252 O=C(O)CC#Cc1cccnc1 Amb25159668 [0,0,0,0,0,1|1,0,2]=4 2326 B12R1.252 O=C(O)CC#Cc1ccncc1 Amb24423393 [0,0,0,0,0,1|1,0,2]=4 2327 B12R1.252 O=C(O)CCCc1ccccc1 Amb2388283 [0,0,0,0,0,1|0,0,2]=3 2328 B12R1.252 O=C(O)CCCc1ccccn1 Amb1099328 [0,0,0,0,0,1|1,0,2]=4 2329 B12R1.252 O=C(O)CCCc1ccccn1 Amb19356883 [0,0,0,0,0,1|1,0,2]=4 2330 B12R1.252 O=C(O)CCCc1cccnc1 Amb17232526 [0,0,0,0,0,1|1,0,2]=4 2331 B12R1.252 O=C(O)CCCc1cccnc1 Amb33529414 [0,0,0,0,0,1|1,0,2]=4 2332 B12R1.252 O=C(O)CCCc1cccnc1 Amb33541549 [0,0,0,0,0,1|1,0,2]=4 2333 B12R1.252 O=C(O)CCCc1ccncc1 Amb1099336 [0,0,0,0,0,1|1,0,2]=4 2334 B12R1.252 O=C(O)CCCc1ccncc1 Amb19929548 [0,0,0,0,0,1|1,0,2]=4 2335 B12R1.252 O=C(O)CCNc1ccccc1 Amb1207377 [0,0,0,0,0,1|0,0,2]=3 2336 B12R1.252 O=C(O)CCNc1ccccn1 Amb10609119 [0,0,0,0,0,1|1,0,2]=4 2337 B12R1.252 O=C(O)CCNc1ccccn1 Amb6258091 [0,0,0,0,0,1|1,0,2]=4 2338 B12R1.252 O=C(O)CCNc1cccnc1 Amb18269696 [0,0,0,0,0,1|1,0,2]=4 2339 B12R1.252 O=C(O)CCNc1ccncc1 Amb33456130 [0,0,0,0,0,1|1,0,2]=4 2340 B12R1.252 O=C(O)CCNc1ccncc1 Amb6280380 [0,0,0,0,0,1|1,0,2]=4 2341 B12R1.252 O=C(O)CCOc1ccccc1 Amb1206804 [0,0,0,0,0,1|0,0,2]=3 2342 B12R1.252 O=C(O)CCOc1cccnc1 Amb33527345 [0,0,0,0,0,1|1,0,2]=4 2343 B12R1.252 O=C(O)CCSc1ccccc1 Amb1036581 [0,0,0,0,0,1|0,0,2]=3 2344 B12R1.252 O=C(O)CCSc1ccccn1 Amb1133894 [0,0,0,0,0,1|1,0,2]=4 2345 B12R1.252 O=C(O)CNCc1ccccc1 Amb2720113 [0,0,0,0,0,1|0,0,2]=3 2346 B12R1.252 O=C(O)CNCc1ccccc1 Amb6357824 [0,0,0,0,0,1|0,0,2]=3 2347 B12R1.252 O=C(O)CNCc1ccccn1 Amb1111426 [0,0,0,0,0,1|1,0,2]=4 2348 B12R1.252 O=C(O)CNCc1ccccn1 Amb13951702 [0,0,0,0,0,1|1,0,2]=4 2349 B12R1.252 O=C(O)CNCc1cccnc1 Amb1111197 [0,0,0,0,0,1|1,0,2]=4 2350 B12R1.252 O=C(O)CNCc1cccnc1 Amb6893093 [0,0,0,0,0,1|1,0,2]=4 2351 B12R1.252 O=C(O)CNCc1ccncc1 Amb1110916 [0,0,0,0,0,1|1,0,2]=4 2352 B12R1.252 O=C(O)CNCc1ccncc1 Amb32729434 [0,0,0,0,0,1|1,0,2]=4 2353 B12R1.252 O=C(O)COCc1ccccc1 Amb3939856 [0,0,0,0,0,1|0,0,2]=3 2354 B12R1.252 O=C(O)COCc1ccccn1 Amb32680346 [0,0,0,0,0,1|1,0,2]=4 2355 B12R1.252 O=C(O)COCc1ccccn1 Amb33548165 [0,0,0,0,0,1|1,0,2]=4 2356 B12R1.252 O=C(O)COCc1cccnc1 Amb28653073 [0,0,0,0,0,1|1,0,2]=4 2357 B12R1.252 O=C(O)COCc1ccncc1 Amb13883046 [0,0,0,0,0,1|1,0,2]=4 2358 B12R1.252 O=C(O)COCc1ccncc1 Amb8010071 [0,0,0,0,0,1|1,0,2]=4 2359 B12R1.252 O=C(O)CSCc1ccccc1 Amb6357378 [0,0,0,0,0,1|0,0,2]=3 2360 B12R1.252 O=C(O)CSCc1ccccn1 Amb1126746 [0,0,0,0,0,1|1,0,2]=4 2361 B12R1.252 O=C(O)CSCc1cccnc1 Amb1129471 [0,0,0,0,0,1|1,0,2]=4 2362 B12R1.252 O=C(O)CSCc1ccncc1 Amb1134758 [0,0,0,0,0,1|1,0,2]=4 2363 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb24113880 [0,0,0,0,0,1|0,0,2]=3 2364 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb6366026 [0,0,0,0,0,1|0,0,2]=3 2365 B12R1.252 O=C(O)C\C=C\c1ccccc1 Amb6280352 [0,0,0,0,0,1|0,0,0]=1 2366 B12R1.252 O=C(O)C\C=C\c1ccccn1 Amb25073201 [0,0,0,0,0,1|1,0,0]=2 2367 B12R1.252 O=C(O)C\C=C\c1cccnc1 Amb26478515 [0,0,0,0,0,1|1,0,0]=2 2368 B12R1.252 O=C(O)C\C=C\c1ccncc1 Amb24571194 [0,0,0,0,0,1|1,0,0]=2 2369 B12R1.252 O=C(O)C\N=C/c1cccnc1 Amb27232669 [0,0,0,0,0,1|1,0,1]=3 2370 B12R1.252 O=C(O)C\N=C\c1cccnc1 Amb28077098 [0,0,0,0,0,1|1,0,1]=3 2371 B12R1.252 O=C(O)C\N=C\c1ccncc1 Amb27455443 [0,0,0,0,0,1|1,0,1]=3 2372 B12R1.252 O=C(O)C\N=N\c1ccccc1 Amb27863405 [0,0,0,0,0,1|1,0,1]=3 2373 B12R1.252 O=C(O)\C=C/Sc1ccccc1 Amb3940780 [0,0,0,0,0,1|0,0,0]=1 2374 B12R1.252 O=C(O)\C=C\Cc1ccccc1 Amb8392409 [0,0,0,0,0,1|0,0,0]=1 2375 B12R1.252 O=C(O)\C=C\Cc1cccnc1 Amb25849857 [0,0,0,0,0,1|1,0,0]=2 2376 B12R1.252 O=C(O)\C=C\Cc1ccncc1 Amb26841073 [0,0,0,0,0,1|1,0,0]=2 2377 B12R1.252 O=C(O)\C=C\Sc1ccccc1 Amb1661597 [0,0,0,0,0,1|0,0,0]=1 2378 B12R1.252 O=C(O)\C=C\Sc1ccccn1 Amb27865585 [0,0,0,0,0,1|1,0,0]=2 2379 B12R1.252 O=C(O)\C=N/Nc1ccccc1 Amb24068313 [0,0,0,0,0,1|1,0,0]=2 2380 B12R1.252 O=C(O)\C=N\Nc1ccccc1 Amb17594064 [0,0,0,0,0,1|1,0,0]=2 2381 B12R1.252 O=C([O-])CCCc1ccccc1 Amb15690987 [0,0,0,0,0,1|0,0,3]=4 2382 B12R1.252 O=C([O-])CC[NH2+]c1ccccc1 Amb22499683 [0,0,0,0,0,1|0,0,3]=4 2383 B12R1.252 O=C([O-])\C=C\Sc1ccccc1 Amb534252 [0,0,0,0,0,1|0,0,1]=2 2384 B12R1.252 O=[N+]([O-])\C=C\Cc1ccccc1 Amb32953157 [0,0,0,0,0,1|1,0,1]=3 2385 B12R1.252 O=[PH](O)CNCc1ccccc1 Amb28383469 [0,0,0,0,0,1|1,0,2]=4 2386 B12R1.252 OB(O)C\C=C\c1ccccc1 Amb26916741 [0,0,0,0,0,1|1,0,1]=3 2387 B12R1.252 OB(O)\C=C\Cc1ccccc1 Amb21856558 [0,0,0,0,0,1|1,0,1]=3 2388 B12R1.252 OB(O)\C=C\Cc1ccccn1 Amb27830764 [0,0,0,0,0,1|2,0,1]=4 2389 B12R1.1343 NC(=O)NN=C1C=CC=CC=C1 Amb28458283 [0,0,0,0,0,1|3,0,0]=4 2390 B9R0.2 C=C\C=C\C=C\CC(C)=O Amb27823042 [1,0,1,0,0,0|1,0,1]=4 2391 B9R0.2 CC(=O)\C=C\C=C\C=C\Cl Amb28125315 [1,0,1,0,0,0|2,0,0]=4 2392 B9R0.2 C\C=C\C=C\C=C\C(=O)O Amb3987814 [1,0,1,0,0,0|0,0,1]=3 2393 B9R0.2 C\C=C\C=C\C=C\C(N)=O Amb27202742 [1,0,1,0,0,0|1,0,1]=4 2394 B9R0.45 C=C\C=C\C=C\C=C\C=O Amb27841284 [1,0,1,0,0,0|0,0,0]=2 2395 B9R0.45 CC\C=C/C=C\C=C\C=O Amb27223181 [1,0,1,0,0,0|0,0,2]=4 2396 B9R0.45 CC\C=C\C=C/C=C/C=O Amb27244697 [1,0,1,0,0,0|0,0,2]=4 2397 B9R0.45 CC\C=C\C=C\C=C\C=O Amb28458226 [1,0,1,0,0,0|0,0,2]=4 2398 B9R0.45 CO\C=C\C=C\C=C\C=O Amb27169346 [1,0,1,0,0,0|1,0,1]=4 2399 B9R0.45 C\C=C\C=C\C=C\C=C\Br Amb27451756 [1,0,1,0,0,0|1,0,1]=4 2400 B9R0.45 O=C\C=C\C=C\C=C\C=O Amb18643061 [1,0,1,0,0,0|1,0,0]=3 2401 B9R0.40 C=C\C=C(C#N)\C=C\C=O Amb27164073 [1,0,1,0,0,0|1,0,1]=4 2402 B9R0.40 C=C\C=C(C=O)\C=C\C=O Amb28199113 [1,0,1,0,0,0|1,0,0]=3 2403 B9R0.43 C=CC(C=C)=CCC(=O)O Amb28050147 [1,0,1,0,0,0|0,0,1]=3 2404 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [1,0,1,0,0,0|2,0,0]=4 2405 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [1,0,1,0,0,0|1,0,1]=4 2406 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [1,0,1,0,0,0|1,0,1]=4 2407 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [1,0,1,0,0,0|2,0,0]=4 2408 B9R0.18 C\C=C\C=C(C)\C=C\C=O Amb27881777 [1,0,1,0,0,0|0,0,2]=4 2409 B9R1.8 Br\C=C/c1ccccc1 Amb24117456 [2,0,0,0,0,0|1,0,0]=3 2410 B9R1.8 Br\C=C/c1ccccn1 Amb25200984 [2,0,0,0,0,0|2,0,0]=4 2411 B9R1.8 Br\C=C/c1cccnc1 Amb24085678 [2,0,0,0,0,0|2,0,0]=4 2412 B9R1.8 Br\C=C\c1ccccc1 Amb3940204 [2,0,0,0,0,0|1,0,0]=3 2413 B9R1.8 Br\C=C\c1ccccn1 Amb33134753 [2,0,0,0,0,0|2,0,0]=4 2414 B9R1.8 Br\C=C\c1cccnc1 Amb33134788 [2,0,0,0,0,0|2,0,0]=4 2415 B9R1.8 Br\C=C\c1ccncc1 Amb27756767 [2,0,0,0,0,0|2,0,0]=4 2416 B9R1.8 C=CC[n+]1ccccc1 Amb27838939 [2,0,0,0,0,0|1,0,1]=4 2417 B9R1.8 C=CCc1ccccc1 Amb2599341 [2,0,0,0,0,0|0,0,1]=3 2418 B9R1.8 C=CCc1cccnc1 Amb24477831 [2,0,0,0,0,0|1,0,1]=4 2419 B9R1.8 C=COc1ccccc1 Amb10564213 [2,0,0,0,0,0|1,0,0]=3 2420 B9R1.8 C=COc1cccnc1 Amb24085952 [2,0,0,0,0,0|2,0,0]=4 2421 B9R1.8 C=CSc1ccccc1 Amb8387516 [2,0,0,0,0,0|1,0,0]=3 2422 B9R1.8 C=NCc1ccccc1 Amb28256747 [2,0,0,0,0,0|1,0,1]=4 2423 B9R1.8 C\C=C/c1ccccc1 Amb2690400 [2,0,0,0,0,0|0,0,1]=3 2424 B9R1.8 C\C=C\c1ccccc1 Amb6366726 [2,0,0,0,0,0|0,0,1]=3 2425 B9R1.8 C\C=N\c1ccccc1 Amb8392386 [2,0,0,0,0,0|1,0,1]=4 2426 B9R1.8 C\N=C\c1ccccc1 Amb8513063 [2,0,0,0,0,0|1,0,1]=4 2427 B9R1.8 Cl\C=C\c1ccccc1 Amb10572872 [2,0,0,0,0,0|1,0,0]=3 2428 B9R1.8 Cl\C=C\c1cccnc1 Amb27435566 [2,0,0,0,0,0|2,0,0]=4 2429 B9R1.8 F\C=C\c1ccccc1 Amb22641699 [2,0,0,0,0,0|1,0,0]=3 2430 B9R1.8 F\C=C\c1ccccn1 Amb27258216 [2,0,0,0,0,0|2,0,0]=4 2431 B9R1.8 I\C=C\c1ccccc1 Amb24646418 [2,0,0,0,0,0|1,0,0]=3 2432 B9R1.8 N\C=C/c1ccccn1 Amb27443779 [2,0,0,0,0,0|2,0,0]=4 2433 B9R1.8 N\C=C/c1cccnc1 Amb28137814 [2,0,0,0,0,0|2,0,0]=4 2434 B9R1.8 N\C=C/c1ccncc1 Amb24068867 [2,0,0,0,0,0|2,0,0]=4 2435 B9R1.8 N\C=C\c1cccnc1 Amb27776892 [2,0,0,0,0,0|2,0,0]=4 2436 B9R1.8 N\C=N\c1ccccc1 Amb10552787 [2,0,0,0,0,0|2,0,0]=4 2437 B9R1.8 N\C=P\c1ccccc1 Amb27643938 [2,0,0,0,0,0|2,0,0]=4 2438 B9R1.8 N\N=C\c1ccccc1 Amb31284503 [2,0,0,0,0,0|2,0,0]=4 2439 B9R1.8 O=C=Cc1cccnc1 Amb27425121 [2,0,0,0,0,0|1,0,1]=4 2440 B9R1.8 O=C=Nc1ccccc1 Amb3939417 [2,0,0,0,0,0|1,0,1]=4 2441 B9R1.8 O=CCc1ccccc1 Amb3939950 [2,0,0,0,0,0|0,0,1]=3 2442 B9R1.8 O=CCc1ccccn1 Amb17089528 [2,0,0,0,0,0|1,0,1]=4 2443 B9R1.8 O=CCc1cccnc1 Amb8011002 [2,0,0,0,0,0|1,0,1]=4 2444 B9R1.8 O=CCc1ccncc1 Amb17089529 [2,0,0,0,0,0|1,0,1]=4 2445 B9R1.8 O=CNc1ccccc1 Amb2613772 [2,0,0,0,0,0|1,0,0]=3 2446 B9R1.8 O=CNc1ccccn1 Amb3319168 [2,0,0,0,0,0|2,0,0]=4 2447 B9R1.8 O=CNc1cccnc1 Amb4019648 [2,0,0,0,0,0|2,0,0]=4 2448 B9R1.8 O=COc1ccccc1 Amb22002710 [2,0,0,0,0,0|1,0,0]=3 2449 B9R1.8 O=C\C=C1/N=CC=CN1 Amb28401450 [2,0,0,0,0,0|2,0,0]=4 2450 B9R1.8 O=C\C=C1\C=CC=CN1 Amb24068319 [2,0,0,0,0,0|1,0,0]=3 2451 B9R1.8 O=C\C=C1\C=CNC=N1 Amb24068339 [2,0,0,0,0,0|2,0,0]=4 2452 B9R1.8 O=S=Nc1ccccc1 Amb2720783 [2,0,0,0,0,0|2,0,0]=4 2453 B9R1.8 OCCc1ccccc1 Amb2793058 [2,0,0,0,0,0|0,0,2]=4 2454 B9R1.8 OCSc1ccccc1 Amb27776457 [2,0,0,0,0,0|1,0,1]=4 2455 B9R1.8 ONCc1ccccc1 Amb22001943 [2,0,0,0,0,0|1,0,1]=4 2456 B9R1.8 ONCc1ccccc1 Amb9825936 [2,0,0,0,0,0|1,0,1]=4 2457 B9R1.8 O\N=C/c1ccccc1 Amb6298335 [2,0,0,0,0,0|1,0,0]=3 2458 B9R1.8 O\N=C/c1ccncc1 Amb9821776 [2,0,0,0,0,0|2,0,0]=4 2459 B9R1.8 O\N=C\c1ccccc1 Amb2223191 [2,0,0,0,0,0|1,0,0]=3 2460 B9R1.8 O\N=C\c1ccccn1 Amb719680 [2,0,0,0,0,0|2,0,0]=4 2461 B9R1.8 O\N=C\c1cccnc1 Amb3427823 [2,0,0,0,0,0|2,0,0]=4 2462 B9R1.8 O\N=C\c1ccncc1 Amb1793802 [2,0,0,0,0,0|2,0,0]=4 2463 B9R1.8 S=CNc1ccccc1 Amb25788857 [2,0,0,0,0,0|1,1,0]=4 2464 B9R1.8 [N-]=[N+]=Cc1ccccc1 Amb15692850 [2,0,0,0,0,0|2,0,0]=4 2465 B11R0.148 C\C=C\C=C\C=C\C=C\C(=O)O Amb10069454 [0,1,1,0,0,0|0,0,0]=2 2466 B11R0.85 O=C(O)\C=C\C(=O)\C=C\C(=O)O Amb2722963 [0,1,1,0,0,0|2,0,0]=4 2467 B11R1.1 BrC\C=C\c1ccc(Br)cc1 Amb28388511 [1,1,0,0,0,0|1,0,1]=4 2468 B11R1.1 C#C\C=C\c1ccc(F)cc1 Amb33202432 [1,1,0,0,0,0|1,0,1]=4 2469 B11R1.1 C=C\C=C\c1ccc(Cl)cc1 Amb25260911 [1,1,0,0,0,0|1,0,0]=3 2470 B11R1.1 C=C\C=C\c1ccc(F)cc1 Amb26993814 [1,1,0,0,0,0|1,0,0]=3 2471 B11R1.1 CC=C=Cc1ccc(F)cc1 Amb27246329 [1,1,0,0,0,0|1,0,1]=4 2472 B11R1.1 CC\C=C/c1ccc(F)cc1 Amb24725207 [1,1,0,0,0,0|1,0,1]=4 2473 B11R1.1 CC\C=C\c1ccc(Br)cc1 Amb26968483 [1,1,0,0,0,0|1,0,1]=4 2474 B11R1.1 C\C=C\Cc1ccc(N)cc1 Amb22751067 [1,1,0,0,0,0|1,0,1]=4 2475 B11R1.1 C\C=C\Cc1ccc(O)cc1 Amb18124917 [1,1,0,0,0,0|1,0,1]=4 2476 B11R1.1 C\C=C\Oc1ccc(N)cc1 Amb27859329 [1,1,0,0,0,0|2,0,0]=4 2477 B11R1.1 Cc1ccc(CCC=O)cc1 Amb5411454 [1,1,0,0,0,0|0,0,2]=4 2478 B11R1.1 Cc1ccc(CNC=O)cc1 Amb1916037 [1,1,0,0,0,0|1,0,1]=4 2479 B11R1.1 Cc1ccc(NNC=O)cc1 Amb2721110 [1,1,0,0,0,0|2,0,0]=4 2480 B11R1.1 Cc1ccc(OCC=O)cc1 Amb5731821 [1,1,0,0,0,0|1,0,1]=4 2481 B11R1.1 Cc1ccc(O\C=C/Cl)cc1 Amb27400345 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.1 Cc1ccc(SCC=O)cc1 Amb17082904 [1,1,0,0,0,0|1,0,1]=4 2483 B11R1.1 Cc1ccc(\C=C/C=O)cc1 Amb27268490 [1,1,0,0,0,0|0,0,0]=2 2484 B11R1.1 Cc1ccc(\C=C\C#N)cc1 Amb17231964 [1,1,0,0,0,0|1,0,1]=4 2485 B11R1.1 Cc1ccc(\C=C\C=O)cc1 Amb17232009 [1,1,0,0,0,0|0,0,0]=2 2486 B11R1.1 Cc1ccc(\C=C\C=O)cn1 Amb27845226 [1,1,0,0,0,0|1,0,0]=3 2487 B11R1.1 Cc1ccc(\C=C\C=O)nc1 Amb33448753 [1,1,0,0,0,0|1,0,0]=3 2488 B11R1.1 Cc1ccc(\C=C\CCl)cc1 Amb26620547 [1,1,0,0,0,0|1,0,1]=4 2489 B11R1.1 Cc1ccc(\C=C\CN)cc1 Amb18563249 [1,1,0,0,0,0|1,0,1]=4 2490 B11R1.1 Cc1ccc(\C=C\CO)cc1 Amb23442829 [1,1,0,0,0,0|0,0,1]=3 2491 B11R1.1 Cc1ccc(\C=C\CO)cn1 Amb33359222 [1,1,0,0,0,0|1,0,1]=4 2492 B11R1.1 Cc1ccc(\C=C\CO)nc1 Amb33359294 [1,1,0,0,0,0|1,0,1]=4 2493 B11R1.1 Cc1ccc(\C=N\CO)cc1 Amb27598320 [1,1,0,0,0,0|1,0,1]=4 2494 B11R1.1 Cc1cnc(\C=C\C=O)cn1 Amb33374304 [1,1,0,0,0,0|2,0,0]=4 2495 B11R1.1 Cc1ncc(\C=C/C=O)cn1 Amb27268009 [1,1,0,0,0,0|2,0,0]=4 2496 B11R1.1 ClC\C=C\c1ccc(Br)cc1 Amb21926649 [1,1,0,0,0,0|1,0,1]=4 2497 B11R1.1 Cl\C=C\Oc1ccc(Cl)cc1 Amb27878895 [1,1,0,0,0,0|2,0,0]=4 2498 B11R1.1 Clc1ccc(\C=C\CBr)cc1 Amb22007806 [1,1,0,0,0,0|1,0,1]=4 2499 B11R1.1 Fc1ccc(\C=C\CBr)cc1 Amb25923286 [1,1,0,0,0,0|1,0,1]=4 2500 B11R1.1 Fc1ccc(\C=C\CCl)cc1 Amb25074621 [1,1,0,0,0,0|1,0,1]=4 2501 B11R1.1 Fc1ccc(\C=C\CS)cc1 Amb33201386 [1,1,0,0,0,0|0,1,1]=4 2502 B11R1.1 N#C\C=C\c1ccc(Br)cc1 Amb2708676 [1,1,0,0,0,0|1,0,1]=4 2503 B11R1.1 N#C\C=C\c1ccc(Cl)cc1 Amb1158219 [1,1,0,0,0,0|1,0,1]=4 2504 B11R1.1 N#C\C=C\c1ccc(F)cc1 Amb2688082 [1,1,0,0,0,0|1,0,1]=4 2505 B11R1.1 NC\C=C\c1ccc(Br)cc1 Amb18066634 [1,1,0,0,0,0|1,0,1]=4 2506 B11R1.1 NC\C=C\c1ccc(Br)cc1 Amb30584648 [1,1,0,0,0,0|1,0,1]=4 2507 B11R1.1 NC\C=C\c1ccc(Cl)cc1 Amb18563824 [1,1,0,0,0,0|1,0,1]=4 2508 B11R1.1 NC\C=C\c1ccc(F)cc1 Amb18065348 [1,1,0,0,0,0|1,0,1]=4 2509 B11R1.1 NC\C=C\c1ccc(O)cc1 Amb33361954 [1,1,0,0,0,0|1,0,1]=4 2510 B11R1.1 Nc1ccc(CCC=O)cc1 Amb27407356 [1,1,0,0,0,0|0,0,2]=4 2511 B11R1.1 Nc1ccc(C\C=C\Br)cc1 Amb27217330 [1,1,0,0,0,0|1,0,1]=4 2512 B11R1.1 Nc1ccc(NCC=O)cc1 Amb27607100 [1,1,0,0,0,0|1,0,1]=4 2513 B11R1.1 Nc1ccc(SCC=O)cc1 Amb30012112 [1,1,0,0,0,0|1,0,1]=4 2514 B11R1.1 O=CC#Cc1ccc(Br)cc1 Amb18115173 [1,1,0,0,0,0|0,0,2]=4 2515 B11R1.1 O=CC#Cc1ccc(F)cc1 Amb18117287 [1,1,0,0,0,0|0,0,2]=4 2516 B11R1.1 O=CC#Cc1ccc(O)cc1 Amb18117760 [1,1,0,0,0,0|0,0,2]=4 2517 B11R1.1 O=CCCc1ccc(Br)cc1 Amb10602155 [1,1,0,0,0,0|0,0,2]=4 2518 B11R1.1 O=CCCc1ccc(Cl)cc1 Amb33531051 [1,1,0,0,0,0|0,0,2]=4 2519 B11R1.1 O=CCCc1ccc(F)cc1 Amb10602156 [1,1,0,0,0,0|0,0,2]=4 2520 B11R1.1 O=CCCc1ccc(I)cc1 Amb27205783 [1,1,0,0,0,0|0,0,2]=4 2521 B11R1.1 O=CCCc1ccc(O)cc1 Amb17081693 [1,1,0,0,0,0|0,0,2]=4 2522 B11R1.1 O=CCCc1ccc(S)cc1 Amb27192456 [1,1,0,0,0,0|0,0,2]=4 2523 B11R1.1 O=CCOc1ccc(Cl)cc1 Amb5731836 [1,1,0,0,0,0|1,0,1]=4 2524 B11R1.1 O=CCOc1ccc(F)cc1 Amb5731822 [1,1,0,0,0,0|1,0,1]=4 2525 B11R1.1 O=CCOc1ccc(I)cc1 Amb27640919 [1,1,0,0,0,0|1,0,1]=4 2526 B11R1.1 O=CCSc1ccc(Br)cc1 Amb17082907 [1,1,0,0,0,0|1,0,1]=4 2527 B11R1.1 O=CCSc1ccc(Cl)cc1 Amb17082906 [1,1,0,0,0,0|1,0,1]=4 2528 B11R1.1 O=CCSc1ccc(F)cc1 Amb17082905 [1,1,0,0,0,0|1,0,1]=4 2529 B11R1.1 O=CNCc1ccc(Br)cc1 Amb27410847 [1,1,0,0,0,0|1,0,1]=4 2530 B11R1.1 O=CNCc1ccc(Cl)cc1 Amb24486673 [1,1,0,0,0,0|1,0,1]=4 2531 B11R1.1 O=CNNc1ccc(Br)cc1 Amb25147924 [1,1,0,0,0,0|2,0,0]=4 2532 B11R1.1 O=C\C=C\c1ccc(Br)cc1 Amb1787168 [1,1,0,0,0,0|0,0,0]=2 2533 B11R1.1 O=C\C=C\c1ccc(Br)cn1 Amb27245473 [1,1,0,0,0,0|1,0,0]=3 2534 B11R1.1 O=C\C=C\c1ccc(Br)nc1 Amb27796539 [1,1,0,0,0,0|1,0,0]=3 2535 B11R1.1 O=C\C=C\c1ccc(Cl)cc1 Amb34005096 [1,1,0,0,0,0|0,0,0]=2 2536 B11R1.1 O=C\C=C\c1ccc(Cl)cn1 Amb33223968 [1,1,0,0,0,0|1,0,0]=3 2537 B11R1.1 O=C\C=C\c1ccc(Cl)nc1 Amb33220743 [1,1,0,0,0,0|1,0,0]=3 2538 B11R1.1 O=C\C=C\c1ccc(F)cc1 Amb6296447 [1,1,0,0,0,0|0,0,0]=2 2539 B11R1.1 O=C\C=C\c1ccc(F)cn1 Amb33317377 [1,1,0,0,0,0|1,0,0]=3 2540 B11R1.1 O=C\C=C\c1ccc(F)nc1 Amb33425820 [1,1,0,0,0,0|1,0,0]=3 2541 B11R1.1 O=C\C=C\c1ccc(O)cc1 Amb6296905 [1,1,0,0,0,0|0,0,0]=2 2542 B11R1.1 O=C\C=C\c1ncc(Br)cn1 Amb33334786 [1,1,0,0,0,0|2,0,0]=4 2543 B11R1.1 O=C\N=C\c1ccc(O)cc1 Amb26557720 [1,1,0,0,0,0|1,0,0]=3 2544 B11R1.1 OC\C=C\c1ccc(Br)cc1 Amb5559245 [1,1,0,0,0,0|0,0,1]=3 2545 B11R1.1 OC\C=C\c1ccc(Br)nc1 Amb33388370 [1,1,0,0,0,0|1,0,1]=4 2546 B11R1.1 OC\C=C\c1ccc(Cl)cc1 Amb21964138 [1,1,0,0,0,0|0,0,1]=3 2547 B11R1.1 OC\C=C\c1ccc(Cl)nc1 Amb27980589 [1,1,0,0,0,0|1,0,1]=4 2548 B11R1.1 OC\C=C\c1ccc(F)cc1 Amb23442931 [1,1,0,0,0,0|0,0,1]=3 2549 B11R1.1 OC\C=C\c1ccc(F)cn1 Amb33317353 [1,1,0,0,0,0|1,0,1]=4 2550 B11R1.1 OC\C=C\c1ccc(F)nc1 Amb33425603 [1,1,0,0,0,0|1,0,1]=4 2551 B11R1.1 OC\C=C\c1ccc(O)cc1 Amb2445151 [1,1,0,0,0,0|0,0,1]=3 2552 B11R1.1 O\N=C/Cc1ccc(O)cc1 Amb27833768 [1,1,0,0,0,0|1,0,1]=4 2553 B11R1.1 O\N=C\Cc1ccc(O)cc1 Amb25705671 [1,1,0,0,0,0|1,0,1]=4 2554 B11R1.1 O\N=C\Nc1ccc(Cl)cc1 Amb27606304 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.16 C=C(NC=O)c1ccccc1 Amb28046518 [1,1,0,0,0,0|1,0,0]=3 2556 B11R1.16 C=CCC(=O)c1ccccc1 Amb17334260 [1,1,0,0,0,0|1,0,1]=4 2557 B11R1.16 C=COC(=O)c1ccccc1 Amb10807409 [1,1,0,0,0,0|2,0,0]=4 2558 B11R1.16 C=C\C=C(\N)c1ccccc1 Amb26578846 [1,1,0,0,0,0|1,0,0]=3 2559 B11R1.16 C=C\C=C(\N)c1ccccn1 Amb24579514 [1,1,0,0,0,0|2,0,0]=4 2560 B11R1.16 CC(CC=O)c1ccccc1 Amb3372078 [1,1,0,0,0,0|0,0,2]=4 2561 B11R1.16 CC(NC=O)c1ccccc1 Amb4020107 [1,1,0,0,0,0|1,0,1]=4 2562 B11R1.16 CC(OC=O)c1ccccc1 Amb22735162 [1,1,0,0,0,0|1,0,1]=4 2563 B11R1.16 CC(\C=C\Br)c1ccccc1 Amb33134868 [1,1,0,0,0,0|1,0,1]=4 2564 B11R1.16 CC(\C=N\O)c1ccccc1 Amb4018201 [1,1,0,0,0,0|1,0,1]=4 2565 B11R1.16 CC\C=C(/C)c1ccccc1 Amb25151168 [1,1,0,0,0,0|1,0,1]=4 2566 B11R1.16 CC\C=C(\C)c1ccccc1 Amb27445109 [1,1,0,0,0,0|1,0,1]=4 2567 B11R1.16 CN(NC=O)c1ccccc1 Amb17778798 [1,1,0,0,0,0|2,0,0]=4 2568 B11R1.16 CN\C=C(\C)c1ccccc1 Amb27468700 [1,1,0,0,0,0|2,0,0]=4 2569 B11R1.16 CP(CC=O)c1ccccc1 Amb28241337 [1,1,0,0,0,0|1,0,1]=4 2570 B11R1.16 C[C@@H](CC=O)c1ccccc1 Amb27661808 [1,1,0,0,0,0|0,0,2]=4 2571 B11R1.16 C\C(=C/C#N)c1ccccc1 Amb32941900 [1,1,0,0,0,0|1,0,1]=4 2572 B11R1.16 C\C(=C/C=O)c1ccccc1 Amb17593660 [1,1,0,0,0,0|0,0,0]=2 2573 B11R1.16 C\C(=C/CBr)c1ccccc1 Amb28384582 [1,1,0,0,0,0|1,0,1]=4 2574 B11R1.16 C\C(=C/CN)c1ccccc1 Amb23555622 [1,1,0,0,0,0|1,0,1]=4 2575 B11R1.16 C\C(=C/CO)c1ccccc1 Amb8392366 [1,1,0,0,0,0|0,0,1]=3 2576 B11R1.16 C\C(=C/CO)c1ccccn1 Amb24373086 [1,1,0,0,0,0|1,0,1]=4 2577 B11R1.16 C\C(=C\C=O)c1ccccn1 Amb27848247 [1,1,0,0,0,0|1,0,0]=3 2578 B11R1.16 C\C(=C\C=O)c1cccnc1 Amb28056958 [1,1,0,0,0,0|1,0,0]=3 2579 B11R1.16 C\C(=C\C=O)c1ccncc1 Amb27855013 [1,1,0,0,0,0|1,0,0]=3 2580 B11R1.16 C\C(=C\CO)c1cccnc1 Amb27191760 [1,1,0,0,0,0|1,0,1]=4 2581 B11R1.16 C\C=C\C(=O)c1ccccc1 Amb10574126 [1,1,0,0,0,0|1,0,0]=3 2582 B11R1.16 C\C=C\C(=O)c1cccnc1 Amb25712944 [1,1,0,0,0,0|2,0,0]=4 2583 B11R1.16 C\C=C\C(O)c1ccccc1 Amb25887104 [1,1,0,0,0,0|1,0,1]=4 2584 B11R1.16 C\C=C\[C@H](N)c1ccccc1 Amb27163147 [1,1,0,0,0,0|1,0,1]=4 2585 B11R1.16 N#C\C=C(/Br)c1ccccc1 Amb17595559 [1,1,0,0,0,0|1,0,1]=4 2586 B11R1.16 N#C\C=C(/Cl)c1ccccc1 Amb1107219 [1,1,0,0,0,0|1,0,1]=4 2587 B11R1.16 N#C\C=C(/N)c1ccccc1 Amb2609675 [1,1,0,0,0,0|1,0,1]=4 2588 B11R1.16 N#C\C=C(\Br)c1ccccc1 Amb27492883 [1,1,0,0,0,0|1,0,1]=4 2589 B11R1.16 N#C\C=C(\Cl)c1ccccc1 Amb27601178 [1,1,0,0,0,0|1,0,1]=4 2590 B11R1.16 N#C\C=C(\N)c1ccccc1 Amb25891462 [1,1,0,0,0,0|1,0,1]=4 2591 B11R1.16 N=CNC(=O)c1ccccc1 Amb27961481 [1,1,0,0,0,0|2,0,0]=4 2592 B11R1.16 NC(CC=O)c1ccccc1 Amb28122676 [1,1,0,0,0,0|0,0,2]=4 2593 B11R1.16 N\N=C\C(=O)c1ccccc1 Amb9824983 [1,1,0,0,0,0|2,0,0]=4 2594 B11R1.16 O=C(C=C=S)c1ccccc1 Amb27227059 [1,1,0,0,0,0|0,1,1]=4 2595 B11R1.16 O=C(CCO)c1ccccc1 Amb16231606 [1,1,0,0,0,0|0,0,2]=4 2596 B11R1.16 O=C(NCO)c1ccccc1 Amb1200467 [1,1,0,0,0,0|1,0,1]=4 2597 B11R1.16 O=C(OCO)c1ccccc1 Amb25115920 [1,1,0,0,0,0|1,0,1]=4 2598 B11R1.16 O=C(\C=C/[O-])c1ccccc1 Amb17843402 [1,1,0,0,0,0|0,0,1]=3 2599 B11R1.16 O=C(\C=C/[O-])c1ccccc1 Amb2385893 [1,1,0,0,0,0|0,0,1]=3 2600 B11R1.16 O=C(\C=C\Cl)c1ccccc1 Amb17594153 [1,1,0,0,0,0|1,0,0]=3 2601 B11R1.16 O=C(\C=C\Cl)c1ccccn1 Amb35645311 [1,1,0,0,0,0|2,0,0]=4 2602 B11R1.16 O=C(\C=C\Cl)c1cccnc1 Amb35645317 [1,1,0,0,0,0|2,0,0]=4 2603 B11R1.16 O=C(\C=C\Cl)c1ccncc1 Amb35645314 [1,1,0,0,0,0|2,0,0]=4 2604 B11R1.16 O=C(\C=C\[O-])c1ccccc1 Amb22360915 [1,1,0,0,0,0|0,0,1]=3 2605 B11R1.16 O=C(\C=N\O)c1ccccc1 Amb2781112 [1,1,0,0,0,0|1,0,0]=3 2606 B11R1.16 O=C(\N=C\S)c1ccccc1 Amb24485844 [1,1,0,0,0,0|1,1,0]=4 2607 B11R1.16 O=C=NC(=O)c1ccccc1 Amb3940094 [1,1,0,0,0,0|1,0,1]=4 2608 B11R1.16 O=CCC(=O)c1ccccc1 Amb8394158 [1,1,0,0,0,0|0,0,1]=3 2609 B11R1.16 O=CCC(=O)c1ccccn1 Amb9204927 [1,1,0,0,0,0|1,0,1]=4 2610 B11R1.16 O=CCC(=O)c1cccnc1 Amb9204929 [1,1,0,0,0,0|1,0,1]=4 2611 B11R1.16 O=CCC(=O)c1ccncc1 Amb9204939 [1,1,0,0,0,0|1,0,1]=4 2612 B11R1.16 O=CNC(=O)c1ccccn1 Amb27831529 [1,1,0,0,0,0|2,0,0]=4 2613 B11R1.16 O=COC(=O)c1ccccc1 Amb27421012 [1,1,0,0,0,0|1,0,0]=3 2614 B11R1.16 O=C[CH-]C(=O)c1ccccc1 Amb24121236 [1,1,0,0,0,0|0,0,1]=3 2615 B11R1.16 O=C[CH-]C(=O)c1cccnc1 Amb27816419 [1,1,0,0,0,0|1,0,1]=4 2616 B11R1.16 O=C\C=C(/Cl)c1ccccc1 Amb17232626 [1,1,0,0,0,0|0,0,0]=2 2617 B11R1.16 O=C\C=C(/Cl)c1cccnc1 Amb24378408 [1,1,0,0,0,0|1,0,0]=3 2618 B11R1.16 OC\C=C(\Br)c1ccccc1 Amb28284946 [1,1,0,0,0,0|0,0,1]=3 2619 B11R1.16 [N-]=[N+]=CC(=O)c1ccccc1 Amb16233231 [1,1,0,0,0,0|2,0,0]=4 2620 B11R1.17 C=C\C=C\c1ccccc1C Amb26953331 [1,1,0,0,0,0|1,0,0]=3 2621 B11R1.17 CC\C=C\c1ccccc1N Amb22751020 [1,1,0,0,0,0|1,0,1]=4 2622 B11R1.17 CC\C=C\c1ccccc1O Amb18124914 [1,1,0,0,0,0|1,0,1]=4 2623 B11R1.17 CO\C=C/c1ccccc1O Amb24485852 [1,1,0,0,0,0|2,0,0]=4 2624 B11R1.17 CO\C=C\c1ccccc1C Amb27804452 [1,1,0,0,0,0|2,0,0]=4 2625 B11R1.17 CO\C=C\c1ccccc1O Amb25715988 [1,1,0,0,0,0|2,0,0]=4 2626 B11R1.17 CS\C=C/c1ccccc1O Amb28351599 [1,1,0,0,0,0|2,0,0]=4 2627 B11R1.17 C\C=C/Oc1ccccc1O Amb28137745 [1,1,0,0,0,0|2,0,0]=4 2628 B11R1.17 C\C=C\Cc1ccccc1O Amb3940146 [1,1,0,0,0,0|1,0,1]=4 2629 B11R1.17 C\C=C\Sc1ccccc1N Amb27234697 [1,1,0,0,0,0|2,0,0]=4 2630 B11R1.17 Cc1ccccc1C#CC=O Amb18635840 [1,1,0,0,0,0|0,0,2]=4 2631 B11R1.17 Cc1ccccc1CCC=O Amb6306217 [1,1,0,0,0,0|0,0,2]=4 2632 B11R1.17 Cc1ccccc1CNC=O Amb21859038 [1,1,0,0,0,0|1,0,1]=4 2633 B11R1.17 Cc1ccccc1COC=O Amb17778964 [1,1,0,0,0,0|1,0,1]=4 2634 B11R1.17 Cc1ccccc1OCC=O Amb5731819 [1,1,0,0,0,0|1,0,1]=4 2635 B11R1.17 Cc1ccccc1SCC=O Amb18183536 [1,1,0,0,0,0|1,0,1]=4 2636 B11R1.17 Cc1ccccc1S\C=C\Cl Amb26481359 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.17 Cc1ccccc1\C=C\C#N Amb17231962 [1,1,0,0,0,0|1,0,1]=4 2638 B11R1.17 Cc1ccccc1\C=C\C=O Amb17232007 [1,1,0,0,0,0|0,0,0]=2 2639 B11R1.17 Cc1ccccc1\C=C\CCl Amb27831983 [1,1,0,0,0,0|1,0,1]=4 2640 B11R1.17 Cc1ccccc1\C=C\CN Amb18065178 [1,1,0,0,0,0|1,0,1]=4 2641 B11R1.17 Cc1ccccc1\C=C\CO Amb23442935 [1,1,0,0,0,0|0,0,1]=3 2642 B11R1.17 Cc1cccnc1\C=C\C=O Amb33428727 [1,1,0,0,0,0|1,0,0]=3 2643 B11R1.17 Cc1cccnc1\C=C\CO Amb33428736 [1,1,0,0,0,0|1,0,1]=4 2644 B11R1.17 Cc1ccncc1\C=C\C=O Amb32953945 [1,1,0,0,0,0|1,0,0]=3 2645 B11R1.17 Cc1ccncc1\C=C\CO Amb33226224 [1,1,0,0,0,0|1,0,1]=4 2646 B11R1.17 Cc1cnccc1\C=C\C=O Amb33414326 [1,1,0,0,0,0|1,0,0]=3 2647 B11R1.17 Cc1cnccc1\C=C\CO Amb33414325 [1,1,0,0,0,0|1,0,1]=4 2648 B11R1.17 Cc1ncccc1\C=C\C=O Amb32878968 [1,1,0,0,0,0|1,0,0]=3 2649 B11R1.17 Cc1ncccc1\C=C\CO Amb32878967 [1,1,0,0,0,0|1,0,1]=4 2650 B11R1.17 Cc1nccnc1\C=C\C=O Amb35600874 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.17 Cc1ncncc1\C=C\C=O Amb33149152 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.17 ClC\C=C\c1ccccc1Cl Amb27592206 [1,1,0,0,0,0|1,0,1]=4 2653 B11R1.17 Clc1ccccc1\C=C\CBr Amb8392445 [1,1,0,0,0,0|1,0,1]=4 2654 B11R1.17 Fc1ccccc1\C=C\CCl Amb26495610 [1,1,0,0,0,0|1,0,1]=4 2655 B11R1.17 N#C\C=C/c1ccccc1F Amb28141899 [1,1,0,0,0,0|1,0,1]=4 2656 B11R1.17 N#C\C=C/c1ccccc1O Amb26450429 [1,1,0,0,0,0|1,0,1]=4 2657 B11R1.17 N#C\C=C\c1ccccc1Br Amb17239681 [1,1,0,0,0,0|1,0,1]=4 2658 B11R1.17 N#C\C=C\c1ccccc1Cl Amb17232457 [1,1,0,0,0,0|1,0,1]=4 2659 B11R1.17 N#C\C=C\c1ccccc1F Amb17232025 [1,1,0,0,0,0|1,0,1]=4 2660 B11R1.17 N#C\C=C\c1ccccc1I Amb4015088 [1,1,0,0,0,0|1,0,1]=4 2661 B11R1.17 N=C\C=C\c1ccccc1O Amb27226996 [1,1,0,0,0,0|1,0,0]=3 2662 B11R1.17 NC\C=C\c1ccccc1Br Amb18569373 [1,1,0,0,0,0|1,0,1]=4 2663 B11R1.17 NC\C=C\c1ccccc1Cl Amb18065473 [1,1,0,0,0,0|1,0,1]=4 2664 B11R1.17 NC\C=C\c1ccccc1F Amb18065347 [1,1,0,0,0,0|1,0,1]=4 2665 B11R1.17 NC\C=C\c1ccccc1O Amb27442155 [1,1,0,0,0,0|1,0,1]=4 2666 B11R1.17 Nc1ccccc1\C=C\C=O Amb24538270 [1,1,0,0,0,0|0,0,0]=2 2667 B11R1.17 Nc1ccccc1\C=C\CO Amb34916231 [1,1,0,0,0,0|0,0,1]=3 2668 B11R1.17 Nc1ccncc1\N=C\C=O Amb26637985 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.17 Nc1cnccc1\N=C\C=O Amb25255524 [1,1,0,0,0,0|2,0,0]=4 2670 B11R1.17 O=CC#Cc1ccccc1F Amb18117458 [1,1,0,0,0,0|0,0,2]=4 2671 B11R1.17 O=CCCc1ccccc1Br Amb22498060 [1,1,0,0,0,0|0,0,2]=4 2672 B11R1.17 O=CCCc1ccccc1Cl Amb17081678 [1,1,0,0,0,0|0,0,2]=4 2673 B11R1.17 O=CCCc1ccccc1F Amb10602147 [1,1,0,0,0,0|0,0,2]=4 2674 B11R1.17 O=CCCc1ccccc1O Amb22228954 [1,1,0,0,0,0|0,0,2]=4 2675 B11R1.17 O=CCOc1ccccc1Br Amb17099950 [1,1,0,0,0,0|1,0,1]=4 2676 B11R1.17 O=CCOc1ccccc1Cl Amb5731835 [1,1,0,0,0,0|1,0,1]=4 2677 B11R1.17 O=CCOc1ccccc1F Amb18182892 [1,1,0,0,0,0|1,0,1]=4 2678 B11R1.17 O=CCOc1ccccc1I Amb27871520 [1,1,0,0,0,0|1,0,1]=4 2679 B11R1.17 O=CCOc1ccccc1O Amb27176428 [1,1,0,0,0,0|1,0,1]=4 2680 B11R1.17 O=CCSc1ccccc1Br Amb26008308 [1,1,0,0,0,0|1,0,1]=4 2681 B11R1.17 O=CCSc1ccccc1Cl Amb19075897 [1,1,0,0,0,0|1,0,1]=4 2682 B11R1.17 O=CCSc1ccccc1F Amb18185632 [1,1,0,0,0,0|1,0,1]=4 2683 B11R1.17 O=CNCc1ccccc1Cl Amb19871473 [1,1,0,0,0,0|1,0,1]=4 2684 B11R1.17 O=C\C=C\c1ccccc1Br Amb17240825 [1,1,0,0,0,0|0,0,0]=2 2685 B11R1.17 O=C\C=C\c1ccccc1Cl Amb17232625 [1,1,0,0,0,0|0,0,0]=2 2686 B11R1.17 O=C\C=C\c1ccccc1F Amb17232062 [1,1,0,0,0,0|0,0,0]=2 2687 B11R1.17 O=C\C=C\c1ccccc1O Amb842565 [1,1,0,0,0,0|0,0,0]=2 2688 B11R1.17 O=C\C=C\c1ccccc1S Amb28422741 [1,1,0,0,0,0|0,0,0]=2 2689 B11R1.17 O=C\C=C\c1cccnc1Br Amb33387808 [1,1,0,0,0,0|1,0,0]=3 2690 B11R1.17 O=C\C=C\c1cccnc1Cl Amb33406391 [1,1,0,0,0,0|1,0,0]=3 2691 B11R1.17 O=C\C=C\c1cccnc1F Amb33224035 [1,1,0,0,0,0|1,0,0]=3 2692 B11R1.17 O=C\C=C\c1ccncc1Br Amb33478364 [1,1,0,0,0,0|1,0,0]=3 2693 B11R1.17 O=C\C=C\c1ccncc1Cl Amb33413767 [1,1,0,0,0,0|1,0,0]=3 2694 B11R1.17 O=C\C=C\c1ccncc1F Amb33317172 [1,1,0,0,0,0|1,0,0]=3 2695 B11R1.17 O=C\C=C\c1ncccc1Br Amb33388586 [1,1,0,0,0,0|1,0,0]=3 2696 B11R1.17 O=C\C=C\c1ncccc1F Amb33418874 [1,1,0,0,0,0|1,0,0]=3 2697 B11R1.17 O=C\N=C\c1ccccc1O Amb24422424 [1,1,0,0,0,0|1,0,0]=3 2698 B11R1.17 OC\C=C\c1ccccc1Br Amb25149289 [1,1,0,0,0,0|0,0,1]=3 2699 B11R1.17 OC\C=C\c1ccccc1Cl Amb8392444 [1,1,0,0,0,0|0,0,1]=3 2700 B11R1.17 OC\C=C\c1ccccc1F Amb23442840 [1,1,0,0,0,0|0,0,1]=3 2701 B11R1.17 OC\C=C\c1ccccc1O Amb33450068 [1,1,0,0,0,0|0,0,1]=3 2702 B11R1.17 OC\C=C\c1cccnc1Br Amb33387813 [1,1,0,0,0,0|1,0,1]=4 2703 B11R1.17 OC\C=C\c1cccnc1Cl Amb33262127 [1,1,0,0,0,0|1,0,1]=4 2704 B11R1.17 OC\C=C\c1cccnc1F Amb33377194 [1,1,0,0,0,0|1,0,1]=4 2705 B11R1.17 OC\C=C\c1ccncc1Br Amb33389509 [1,1,0,0,0,0|1,0,1]=4 2706 B11R1.17 OC\C=C\c1ccncc1Cl Amb33413772 [1,1,0,0,0,0|1,0,1]=4 2707 B11R1.17 OC\C=C\c1ccncc1F Amb33317171 [1,1,0,0,0,0|1,0,1]=4 2708 B11R1.17 OC\C=C\c1ncccc1F Amb33418873 [1,1,0,0,0,0|1,0,1]=4 2709 B11R1.17 Oc1ccccc1\C=C/CBr Amb27759396 [1,1,0,0,0,0|1,0,1]=4 2710 B11R1.17 Oc1ccccc1\C=C\CCl Amb27848186 [1,1,0,0,0,0|1,0,1]=4 2711 B11R1.24 BrC\C=C\c1cccc(Br)c1 Amb27401347 [1,1,0,0,0,0|1,0,1]=4 2712 B11R1.24 CC\C=C\c1cccc(O)c1 Amb16231489 [1,1,0,0,0,0|1,0,1]=4 2713 B11R1.24 CO\C=C\c1cccc(Br)c1 Amb27642123 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.24 CO\C=C\c1cccc(F)c1 Amb27840067 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.24 Cc1cc(\C=C\C=O)ccn1 Amb33340430 [1,1,0,0,0,0|1,0,0]=3 2716 B11R1.24 Cc1cc(\C=C\CO)ccn1 Amb32733165 [1,1,0,0,0,0|1,0,1]=4 2717 B11R1.24 Cc1cccc(CCC=O)c1 Amb6306216 [1,1,0,0,0,0|0,0,2]=4 2718 B11R1.24 Cc1cccc(CNC=O)c1 Amb27752387 [1,1,0,0,0,0|1,0,1]=4 2719 B11R1.24 Cc1cccc(OCC=O)c1 Amb5731820 [1,1,0,0,0,0|1,0,1]=4 2720 B11R1.24 Cc1cccc(O\C=C\Cl)c1 Amb27471988 [1,1,0,0,0,0|2,0,0]=4 2721 B11R1.24 Cc1cccc(SCC=O)c1 Amb17082932 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.24 Cc1cccc(\C=C\C#N)c1 Amb17231963 [1,1,0,0,0,0|1,0,1]=4 2723 B11R1.24 Cc1cccc(\C=C\C=O)c1 Amb17232008 [1,1,0,0,0,0|0,0,0]=2 2724 B11R1.24 Cc1cccc(\C=C\C=O)n1 Amb33449582 [1,1,0,0,0,0|1,0,0]=3 2725 B11R1.24 Cc1cccc(\C=C\CN)c1 Amb18065182 [1,1,0,0,0,0|1,0,1]=4 2726 B11R1.24 Cc1cccc(\C=C\CO)c1 Amb23442940 [1,1,0,0,0,0|0,0,1]=3 2727 B11R1.24 Cc1cccc(\C=C\CO)n1 Amb33201938 [1,1,0,0,0,0|1,0,1]=4 2728 B11R1.24 Cc1ccnc(\C=C\C=O)c1 Amb33318077 [1,1,0,0,0,0|1,0,0]=3 2729 B11R1.24 Cc1ccnc(\C=C\CO)c1 Amb27650189 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.24 Cc1cncc(\C=C\C=O)c1 Amb33317993 [1,1,0,0,0,0|1,0,0]=3 2731 B11R1.24 Cc1cncc(\C=C\CO)c1 Amb33317992 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.24 N#C\C=C\c1cccc(Br)c1 Amb17239682 [1,1,0,0,0,0|1,0,1]=4 2733 B11R1.24 N#C\C=C\c1cccc(Cl)c1 Amb17232458 [1,1,0,0,0,0|1,0,1]=4 2734 B11R1.24 N#C\C=C\c1cccc(F)c1 Amb32718808 [1,1,0,0,0,0|1,0,1]=4 2735 B11R1.24 N#C\C=C\c1cccc(N)c1 Amb27390243 [1,1,0,0,0,0|1,0,1]=4 2736 B11R1.24 N#C\C=C\c1cccc(S)c1 Amb28287829 [1,1,0,0,0,0|1,0,1]=4 2737 B11R1.24 NC\C=C\c1cccc(Br)c1 Amb18066633 [1,1,0,0,0,0|1,0,1]=4 2738 B11R1.24 NC\C=C\c1cccc(Cl)c1 Amb18065474 [1,1,0,0,0,0|1,0,1]=4 2739 B11R1.24 NC\C=C\c1cccc(F)c1 Amb18065349 [1,1,0,0,0,0|1,0,1]=4 2740 B11R1.24 NC\C=C\c1cccc(O)c1 Amb33474823 [1,1,0,0,0,0|1,0,1]=4 2741 B11R1.24 O=CC#Cc1cccc(Cl)c1 Amb27238485 [1,1,0,0,0,0|0,0,2]=4 2742 B11R1.24 O=CC#Cc1cccc(F)c1 Amb18117776 [1,1,0,0,0,0|0,0,2]=4 2743 B11R1.24 O=CCCc1cccc(Br)c1 Amb17081695 [1,1,0,0,0,0|0,0,2]=4 2744 B11R1.24 O=CCCc1cccc(Cl)c1 Amb6306213 [1,1,0,0,0,0|0,0,2]=4 2745 B11R1.24 O=CCCc1cccc(F)c1 Amb6306215 [1,1,0,0,0,0|0,0,2]=4 2746 B11R1.24 O=CCCc1cccc(I)c1 Amb24637998 [1,1,0,0,0,0|0,0,2]=4 2747 B11R1.24 O=CCCc1cccc(O)c1 Amb17081694 [1,1,0,0,0,0|0,0,2]=4 2748 B11R1.24 O=CCOc1cccc(Br)c1 Amb17099951 [1,1,0,0,0,0|1,0,1]=4 2749 B11R1.24 O=CCOc1cccc(Cl)c1 Amb18806821 [1,1,0,0,0,0|1,0,1]=4 2750 B11R1.24 O=CCOc1cccc(I)c1 Amb27838178 [1,1,0,0,0,0|1,0,1]=4 2751 B11R1.24 O=CCSc1cccc(Br)c1 Amb25978639 [1,1,0,0,0,0|1,0,1]=4 2752 B11R1.24 O=CCSc1cccc(Cl)c1 Amb17082942 [1,1,0,0,0,0|1,0,1]=4 2753 B11R1.24 O=CCSc1cccc(F)c1 Amb26942694 [1,1,0,0,0,0|1,0,1]=4 2754 B11R1.24 O=CNCc1cccc(Br)c1 Amb27780723 [1,1,0,0,0,0|1,0,1]=4 2755 B11R1.24 O=CNCc1cccc(O)c1 Amb18179387 [1,1,0,0,0,0|1,0,1]=4 2756 B11R1.24 O=C\C=C\c1cc(F)ccn1 Amb33320266 [1,1,0,0,0,0|1,0,0]=3 2757 B11R1.24 O=C\C=C\c1cccc(Br)c1 Amb17240826 [1,1,0,0,0,0|0,0,0]=2 2758 B11R1.24 O=C\C=C\c1cccc(Br)n1 Amb28185081 [1,1,0,0,0,0|1,0,0]=3 2759 B11R1.24 O=C\C=C\c1cccc(Cl)c1 Amb16193215 [1,1,0,0,0,0|0,0,0]=2 2760 B11R1.24 O=C\C=C\c1cccc(Cl)n1 Amb33222389 [1,1,0,0,0,0|1,0,0]=3 2761 B11R1.24 O=C\C=C\c1cccc(F)c1 Amb17232063 [1,1,0,0,0,0|0,0,0]=2 2762 B11R1.24 O=C\C=C\c1cccc(O)c1 Amb17334281 [1,1,0,0,0,0|0,0,0]=2 2763 B11R1.24 O=C\C=C\c1cncc(Br)c1 Amb33450900 [1,1,0,0,0,0|1,0,0]=3 2764 B11R1.24 O=C\C=C\c1cncc(F)c1 Amb33227063 [1,1,0,0,0,0|1,0,0]=3 2765 B11R1.24 OC\C=C\c1cccc(Br)c1 Amb19516160 [1,1,0,0,0,0|0,0,1]=3 2766 B11R1.24 OC\C=C\c1cccc(Br)n1 Amb20248560 [1,1,0,0,0,0|1,0,1]=4 2767 B11R1.24 OC\C=C\c1cccc(Cl)c1 Amb23442783 [1,1,0,0,0,0|0,0,1]=3 2768 B11R1.24 OC\C=C\c1cccc(F)c1 Amb23442888 [1,1,0,0,0,0|0,0,1]=3 2769 B11R1.24 OC\C=C\c1cccc(I)c1 Amb28322502 [1,1,0,0,0,0|0,0,1]=3 2770 B11R1.24 OC\C=C\c1cccc(O)c1 Amb33136411 [1,1,0,0,0,0|0,0,1]=3 2771 B11R1.24 OC\C=C\c1cncc(Br)c1 Amb31184380 [1,1,0,0,0,0|1,0,1]=4 2772 B11R1.24 OC\C=C\c1cncc(F)c1 Amb33196270 [1,1,0,0,0,0|1,0,1]=4 2773 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [1,1,0,0,0,0|1,0,1]=4 2774 B11R1.28 Br\C=C\C=C\c1ccccc1 Amb27963876 [1,1,0,0,0,0|1,0,0]=3 2775 B11R1.28 C#CC\C=C\c1ccccc1 Amb33080774 [1,1,0,0,0,0|1,0,1]=4 2776 B11R1.28 C=CC\C=C\c1ccccc1 Amb8393997 [1,1,0,0,0,0|1,0,0]=3 2777 B11R1.28 C=C\C=C\Sc1ccccc1 Amb28284520 [1,1,0,0,0,0|1,0,0]=3 2778 B11R1.28 CCC\C=C\c1ccccc1 Amb4017967 [1,1,0,0,0,0|1,0,1]=4 2779 B11R1.28 CCO\C=C\c1ccccc1 Amb4020955 [1,1,0,0,0,0|1,0,1]=4 2780 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [1,1,0,0,0,0|1,0,1]=4 2781 B11R1.28 CO\C=C/Oc1ccccc1 Amb24069136 [1,1,0,0,0,0|1,0,0]=3 2782 B11R1.28 CSC\C=C\c1ccccc1 Amb27261145 [1,1,0,0,0,0|0,1,1]=4 2783 B11R1.28 C\C=C/N=C/c1cccnc1 Amb24486027 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.28 C\C=C\C=C\c1ccccc1 Amb27870048 [1,1,0,0,0,0|1,0,0]=3 2785 B11R1.28 C\C=C\CCc1ccccc1 Amb17940149 [1,1,0,0,0,0|1,0,1]=4 2786 B11R1.28 C\C=C\CNc1ccccc1 Amb4016349 [1,1,0,0,0,0|1,0,1]=4 2787 B11R1.28 C\C=C\COc1ccccc1 Amb4036065 [1,1,0,0,0,0|1,0,1]=4 2788 B11R1.28 C\C=C\N=C\c1cccnc1 Amb26566876 [1,1,0,0,0,0|2,0,0]=4 2789 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [1,1,0,0,0,0|1,0,1]=4 2790 B11R1.28 ClC\C=C\Sc1ccccc1 Amb27452187 [1,1,0,0,0,0|1,0,1]=4 2791 B11R1.28 Cl\C=C\C=C\c1ccccc1 Amb8392466 [1,1,0,0,0,0|1,0,0]=3 2792 B11R1.28 Cl\C=C\CCc1ccccc1 Amb8392473 [1,1,0,0,0,0|1,0,1]=4 2793 B11R1.28 Cl\C=C\COc1ccccc1 Amb27668260 [1,1,0,0,0,0|1,0,1]=4 2794 B11R1.28 ICC\C=C\c1ccccc1 Amb27261633 [1,1,0,0,0,0|1,0,1]=4 2795 B11R1.28 IC\C=C\Cc1ccccc1 Amb28428997 [1,1,0,0,0,0|1,0,1]=4 2796 B11R1.28 N#CC\C=C\c1ccccc1 Amb6268598 [1,1,0,0,0,0|1,0,1]=4 2797 B11R1.28 N#C\C=C\Cc1ccccc1 Amb28255392 [1,1,0,0,0,0|1,0,1]=4 2798 B11R1.28 NCC\C=C/c1ccccc1 Amb27254115 [1,1,0,0,0,0|1,0,1]=4 2799 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [1,1,0,0,0,0|1,0,1]=4 2800 B11R1.28 NC\C=C\Cc1ccccc1 Amb32951245 [1,1,0,0,0,0|1,0,1]=4 2801 B11R1.28 NNC\C=C\c1ccccc1 Amb33456723 [1,1,0,0,0,0|1,0,1]=4 2802 B11R1.28 NOC\C=C\c1ccccc1 Amb33136389 [1,1,0,0,0,0|0,0,1]=3 2803 B11R1.28 N\C=C\C=C\c1ccccc1 Amb27393486 [1,1,0,0,0,0|1,0,0]=3 2804 B11R1.28 N\C=C\C=C\c1ccccn1 Amb27961333 [1,1,0,0,0,0|2,0,0]=4 2805 B11R1.28 N\N=C\C=C\c1ccccc1 Amb27764571 [1,1,0,0,0,0|1,0,0]=3 2806 B11R1.28 N\N=C\C=C\c1ccccn1 Amb27768304 [1,1,0,0,0,0|2,0,0]=4 2807 B11R1.28 O=C=C\C=C/c1ccccn1 Amb27434448 [1,1,0,0,0,0|1,0,0]=3 2808 B11R1.28 O=C=C\C=C\c1ccccn1 Amb27622513 [1,1,0,0,0,0|1,0,0]=3 2809 B11R1.28 O=CCC#Cc1ccccc1 Amb27390152 [1,1,0,0,0,0|0,0,2]=4 2810 B11R1.28 O=CCCCc1ccccc1 Amb6306225 [1,1,0,0,0,0|0,0,2]=4 2811 B11R1.28 O=CCCOc1ccccc1 Amb5731758 [1,1,0,0,0,0|0,0,2]=4 2812 B11R1.28 O=CCCSc1ccccc1 Amb17082943 [1,1,0,0,0,0|0,0,2]=4 2813 B11R1.28 O=CCNCc1ccccc1 Amb19886524 [1,1,0,0,0,0|0,0,2]=4 2814 B11R1.28 O=CCOCc1ccccc1 Amb3939958 [1,1,0,0,0,0|0,0,2]=4 2815 B11R1.28 O=CCSCc1ccccc1 Amb18801121 [1,1,0,0,0,0|0,0,2]=4 2816 B11R1.28 O=CNOCc1ccccc1 Amb27805476 [1,1,0,0,0,0|1,0,1]=4 2817 B11R1.28 O=CN\N=C/c1ccccc1 Amb2612268 [1,1,0,0,0,0|1,0,0]=3 2818 B11R1.28 O=COCCc1ccccc1 Amb6357955 [1,1,0,0,0,0|0,0,2]=4 2819 B11R1.28 O=C\C=C/Cc1ccccc1 Amb27861231 [1,1,0,0,0,0|0,0,0]=2 2820 B11R1.28 O=C\C=C\Cc1ccccc1 Amb32954519 [1,1,0,0,0,0|0,0,0]=2 2821 B11R1.28 O=C\C=C\Nc1ccccc1 Amb18124821 [1,1,0,0,0,0|0,0,0]=2 2822 B11R1.28 O=C\C=C\Nc1cccnc1 Amb27445449 [1,1,0,0,0,0|1,0,0]=3 2823 B11R1.28 O=C\C=C\Oc1ccccc1 Amb24585165 [1,1,0,0,0,0|0,0,0]=2 2824 B11R1.28 O=C\C=N\Nc1ccccc1 Amb2417721 [1,1,0,0,0,0|1,0,0]=3 2825 B11R1.28 O=S=CNCc1ccccc1 Amb27166552 [1,1,0,0,0,0|1,0,1]=4 2826 B11R1.28 OCC\C=C\c1ccccc1 Amb33213896 [1,1,0,0,0,0|0,0,1]=3 2827 B11R1.28 OCC\C=N\c1ccccc1 Amb27805392 [1,1,0,0,0,0|0,0,2]=4 2828 B11R1.28 OC\C=C\Cc1ccccc1 Amb32951814 [1,1,0,0,0,0|0,0,1]=3 2829 B11R1.28 OC\C=C\Oc1ccccn1 Amb27823751 [1,1,0,0,0,0|1,0,1]=4 2830 B11R1.28 OC\C=C\Sc1ccccc1 Amb27164022 [1,1,0,0,0,0|0,0,1]=3 2831 B11R1.28 ONC\C=C\c1ccccc1 Amb33081057 [1,1,0,0,0,0|0,0,1]=3 2832 B11R1.28 O\C=C\C=C\c1ccccc1 Amb27970649 [1,1,0,0,0,0|0,0,0]=2 2833 B11R1.28 O\N=C\C=C/c1ccccc1 Amb24668019 [1,1,0,0,0,0|0,0,0]=2 2834 B11R1.28 O\N=C\C=C\c1ccccc1 Amb28366863 [1,1,0,0,0,0|0,0,0]=2 2835 B11R1.28 SCC\C=C\c1ccccc1 Amb33081762 [1,1,0,0,0,0|0,1,1]=4 2836 B11R1.28 [C-]#[N+]C\C=C\c1ccccc1 Amb33081342 [1,1,0,0,0,0|1,0,1]=4 2837 B11R1.28 [N-]=[N+]=N\C=C\c1ccccc1 Amb26367041 [1,1,0,0,0,0|2,0,0]=4 2838 B11R1.40 C#C\C(C)=C\c1ccccc1 Amb33476742 [1,1,0,0,0,0|1,0,1]=4 2839 B11R1.40 C=C(C=O)Cc1ccccc1 Amb8392633 [1,1,0,0,0,0|0,0,1]=3 2840 B11R1.40 C=C(CO)Sc1ccccc1 Amb27961782 [1,1,0,0,0,0|1,0,1]=4 2841 B11R1.40 C=CC(=C)Sc1ccccc1 Amb4013516 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.40 C=CC(=O)Cc1ccccc1 Amb25353450 [1,1,0,0,0,0|1,0,1]=4 2843 B11R1.40 C=CC(=O)Nc1ccccc1 Amb6843666 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.40 C=C\C(C)=C/c1ccccc1 Amb27428211 [1,1,0,0,0,0|1,0,0]=3 2845 B11R1.40 C=C\C(C)=C\c1ccccc1 Amb27950688 [1,1,0,0,0,0|1,0,0]=3 2846 B11R1.40 C=C\C(C)=C\c1ccccn1 Amb24101881 [1,1,0,0,0,0|2,0,0]=4 2847 B11R1.40 C=C\C(C)=C\c1cccnc1 Amb24085616 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.40 C=C\C(C)=C\c1ccncc1 Amb24103157 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.40 CC(C=O)Cc1ccccc1 Amb4035446 [1,1,0,0,0,0|0,0,2]=4 2850 B11R1.40 CC(C=O)Oc1ccccc1 Amb22011729 [1,1,0,0,0,0|1,0,1]=4 2851 B11R1.40 CC(C=O)Sc1ccccc1 Amb18646621 [1,1,0,0,0,0|1,0,1]=4 2852 B11R1.40 CC(Nc1ccccc1)=S=O Amb27592896 [1,1,0,0,0,0|2,0,0]=4 2853 B11R1.40 CC\C(C)=C/c1ccccc1 Amb22546773 [1,1,0,0,0,0|1,0,1]=4 2854 B11R1.40 CC\C(C)=C\c1ccccc1 Amb4034910 [1,1,0,0,0,0|1,0,1]=4 2855 B11R1.40 CC\C(I)=C/c1ccccc1 Amb22641702 [1,1,0,0,0,0|1,0,1]=4 2856 B11R1.40 CN(C=O)Cc1ccccc1 Amb27795680 [1,1,0,0,0,0|1,0,1]=4 2857 B11R1.40 CN\C(C)=C\c1ccccc1 Amb32758729 [1,1,0,0,0,0|2,0,0]=4 2858 B11R1.40 CO\C(C)=C\c1ccccc1 Amb4020305 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.40 C[C@@H](C=O)Oc1ccccc1 Amb24504931 [1,1,0,0,0,0|1,0,1]=4 2860 B11R1.40 C\C(=C/c1ccccc1)CBr Amb33136396 [1,1,0,0,0,0|1,0,1]=4 2861 B11R1.40 C\C(=C/c1ccccc1)CCl Amb33136471 [1,1,0,0,0,0|1,0,1]=4 2862 B11R1.40 C\C(=C/c1ccccc1)CN Amb33136473 [1,1,0,0,0,0|1,0,1]=4 2863 B11R1.40 C\C(=C/c1ccccc1)CO Amb9825840 [1,1,0,0,0,0|0,0,1]=3 2864 B11R1.40 C\C(=C/c1ccccc1)CS Amb33381244 [1,1,0,0,0,0|0,1,1]=4 2865 B11R1.40 C\C(=C\c1ccccc1)CN Amb24634730 [1,1,0,0,0,0|1,0,1]=4 2866 B11R1.40 C\C(=C\c1ccncc1)CO Amb27663027 [1,1,0,0,0,0|1,0,1]=4 2867 B11R1.40 C\C(=N\O)Nc1ccccc1 Amb2610722 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.40 C\C(C#N)=C\c1ccccc1 Amb27421076 [1,1,0,0,0,0|1,0,1]=4 2869 B11R1.40 C\C(C=O)=C/c1ccccc1 Amb6608709 [1,1,0,0,0,0|0,0,0]=2 2870 B11R1.40 C\C(C=O)=C/c1ccccn1 Amb1014105 [1,1,0,0,0,0|1,0,0]=3 2871 B11R1.40 C\C(C=O)=C/c1cccnc1 Amb17334266 [1,1,0,0,0,0|1,0,0]=3 2872 B11R1.40 C\C(C=O)=C/c1ccncc1 Amb17334268 [1,1,0,0,0,0|1,0,0]=3 2873 B11R1.40 C\C(C=O)=C/c1cncnc1 Amb28058466 [1,1,0,0,0,0|2,0,0]=4 2874 B11R1.40 C\C(C=O)=C\c1cccnc1 Amb28070736 [1,1,0,0,0,0|1,0,0]=3 2875 B11R1.40 C\C=C(\C)Nc1ccccc1 Amb27597055 [1,1,0,0,0,0|2,0,0]=4 2876 B11R1.40 Cl\C=C(/Cl)Oc1ccccc1 Amb34048810 [1,1,0,0,0,0|2,0,0]=4 2877 B11R1.40 Cl\C=C(\Cl)Cc1ccccc1 Amb27657562 [1,1,0,0,0,0|1,0,1]=4 2878 B11R1.40 Cl\C=C(\Cl)Oc1ccccc1 Amb25968444 [1,1,0,0,0,0|2,0,0]=4 2879 B11R1.40 F\C(=C/c1ccccc1)CBr Amb27828070 [1,1,0,0,0,0|1,0,1]=4 2880 B11R1.40 F\C(=C\Cl)Oc1ccccc1 Amb27477898 [1,1,0,0,0,0|2,0,0]=4 2881 B11R1.40 F\C(=C\Cl)Sc1ccccc1 Amb28383507 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.40 N#C\C(F)=C\c1ccccc1 Amb18644314 [1,1,0,0,0,0|1,0,1]=4 2883 B11R1.40 N=C(CO)Nc1ccccc1 Amb28062227 [1,1,0,0,0,0|1,0,1]=4 2884 B11R1.40 N=C(Cc1ccccc1)NO Amb20671380 [1,1,0,0,0,0|1,0,1]=4 2885 B11R1.40 N[C@H](C=O)Cc1ccccc1 Amb27810784 [1,1,0,0,0,0|0,0,2]=4 2886 B11R1.40 N\C(=N/O)Nc1ccccc1 Amb18799378 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.40 N\C(=N/O)Nc1ccccc1 Amb33743404 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.40 N\C(Cc1ccccc1)=N/O Amb1159399 [1,1,0,0,0,0|1,0,1]=4 2889 B11R1.40 N\C(Cc1ccccc1)=N\O Amb1106303 [1,1,0,0,0,0|1,0,1]=4 2890 B11R1.40 O=C(CO)Nc1ccccc1 Amb1110212 [1,1,0,0,0,0|1,0,1]=4 2891 B11R1.40 O=C(NO)Nc1ccccc1 Amb2746999 [1,1,0,0,0,0|2,0,0]=4 2892 B11R1.40 O=C(NO)Oc1ccccc1 Amb22493600 [1,1,0,0,0,0|2,0,0]=4 2893 B11R1.40 O=CC(=O)Cc1ccccc1 Amb17593687 [1,1,0,0,0,0|0,0,1]=3 2894 B11R1.40 O=CC(=O)Nc1ccccc1 Amb27643437 [1,1,0,0,0,0|1,0,0]=3 2895 B11R1.40 O=CC(Cl)Cc1ccccc1 Amb17204312 [1,1,0,0,0,0|0,0,2]=4 2896 B11R1.40 O=CC(I)Cc1ccccc1 Amb27839657 [1,1,0,0,0,0|0,0,2]=4 2897 B11R1.40 O=CN(O)Cc1ccccc1 Amb27873557 [1,1,0,0,0,0|1,0,1]=4 2898 B11R1.40 O=C[C@@H](Cl)Cc1ccccc1 Amb27632499 [1,1,0,0,0,0|0,0,2]=4 2899 B11R1.40 O=C[C@H](Cl)Cc1ccccc1 Amb27955251 [1,1,0,0,0,0|0,0,2]=4 2900 B11R1.40 O=C[C@H](I)Cc1ccccc1 Amb28365493 [1,1,0,0,0,0|0,0,2]=4 2901 B11R1.40 O=C\C(Br)=C/c1ccccc1 Amb25047719 [1,1,0,0,0,0|0,0,0]=2 2902 B11R1.40 O=C\C(Br)=C\c1ccccc1 Amb6608679 [1,1,0,0,0,0|0,0,0]=2 2903 B11R1.40 O=C\C(Cl)=C/c1ccccc1 Amb6297306 [1,1,0,0,0,0|0,0,0]=2 2904 B11R1.40 O=C\C(Cl)=C\c1ccccc1 Amb2792752 [1,1,0,0,0,0|0,0,0]=2 2905 B11R1.40 O=C\C(Cl)=C\c1ccccn1 Amb18126489 [1,1,0,0,0,0|1,0,0]=3 2906 B11R1.40 O=C\C(O)=C\c1ccccc1 Amb18124881 [1,1,0,0,0,0|0,0,0]=2 2907 B11R1.40 O=N\C(Br)=C/c1ccccc1 Amb27862869 [1,1,0,0,0,0|1,0,0]=3 2908 B11R1.40 OC\C(Cl)=C/c1ccccc1 Amb27234634 [1,1,0,0,0,0|0,0,1]=3 2909 B11R1.40 ONC(=S)Nc1ccccc1 Amb9824829 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.40 O\N=C(/Cl)Cc1ccccc1 Amb33625234 [1,1,0,0,0,0|1,0,1]=4 2911 B11R1.40 O\N=C(/O)Cc1ccccc1 Amb19986986 [1,1,0,0,0,0|1,0,1]=4 2912 B11R1.20 BrC(Br)=Cc1ccc(Br)cc1 Amb25920797 [0,1,0,0,1,0|2,0,0]=4 2913 B11R1.20 BrC(Br)=Cc1ccc(I)cc1 Amb28365692 [0,1,0,0,1,0|2,0,0]=4 2914 B11R1.20 CC(=O)Cc1ccc(Br)cc1 Amb3941014 [0,1,0,0,1,0|1,0,1]=4 2915 B11R1.20 CC(=O)Cc1ccc(C)cc1 Amb2689597 [0,1,0,0,1,0|1,0,1]=4 2916 B11R1.20 CC(=O)Cc1ccc(Cl)cc1 Amb2686315 [0,1,0,0,1,0|1,0,1]=4 2917 B11R1.20 CC(=O)Cc1ccc(F)cc1 Amb2688303 [0,1,0,0,1,0|1,0,1]=4 2918 B11R1.20 CC(=O)Cc1ccc(N)cc1 Amb6298618 [0,1,0,0,1,0|1,0,1]=4 2919 B11R1.20 CC(=O)Cc1ccc(O)cc1 Amb6296288 [0,1,0,0,1,0|1,0,1]=4 2920 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 Amb10071635 [0,1,0,0,1,0|2,0,0]=4 2921 B11R1.20 CC(=O)Nc1ccc(Br)cc1 Amb2696018 [0,1,0,0,1,0|2,0,0]=4 2922 B11R1.20 CC(=O)Nc1ccc(C)cc1 Amb6355390 [0,1,0,0,1,0|2,0,0]=4 2923 B11R1.20 CC(=O)Nc1ccc(Cl)cc1 Amb2696090 [0,1,0,0,1,0|2,0,0]=4 2924 B11R1.20 CC(=O)Nc1ccc(F)cc1 Amb2724263 [0,1,0,0,1,0|2,0,0]=4 2925 B11R1.20 CC(=O)Nc1ccc(I)cc1 Amb2759244 [0,1,0,0,1,0|2,0,0]=4 2926 B11R1.20 CC(=O)Nc1ccc(N)cc1 Amb1208563 [0,1,0,0,1,0|2,0,0]=4 2927 B11R1.20 CC(=O)Nc1ccc(O)cc1 Amb1209347 [0,1,0,0,1,0|2,0,0]=4 2928 B11R1.20 CC(=O)Nc1ccc(S)cc1 Amb2720233 [0,1,0,0,1,0|2,0,0]=4 2929 B11R1.20 CC(=O)Nc1ccc([NH3+])cc1 Amb24113861 [0,1,0,0,1,0|2,0,0]=4 2930 B11R1.20 CC(=O)Oc1ccc(Br)cc1 Amb3123035 [0,1,0,0,1,0|2,0,0]=4 2931 B11R1.20 CC(=O)Oc1ccc(Cl)cc1 Amb4379779 [0,1,0,0,1,0|2,0,0]=4 2932 B11R1.20 CC(=O)Oc1ccc(F)cc1 Amb2684206 [0,1,0,0,1,0|2,0,0]=4 2933 B11R1.20 CC(=O)Oc1ccc(I)cc1 Amb25330825 [0,1,0,0,1,0|2,0,0]=4 2934 B11R1.20 CC(=O)Oc1ccc(N)cc1 Amb18125232 [0,1,0,0,1,0|2,0,0]=4 2935 B11R1.20 CC(=O)Oc1ccc(N)cc1 Amb34891685 [0,1,0,0,1,0|2,0,0]=4 2936 B11R1.20 CC(=O)Oc1ccc(O)cc1 Amb10843589 [0,1,0,0,1,0|2,0,0]=4 2937 B11R1.20 CC(=O)Sc1ccc(Br)cc1 Amb1394995 [0,1,0,0,1,0|2,0,0]=4 2938 B11R1.20 CC(=O)Sc1ccc(C)cc1 Amb17741675 [0,1,0,0,1,0|2,0,0]=4 2939 B11R1.20 CC(=O)Sc1ccc(Cl)cc1 Amb24433357 [0,1,0,0,1,0|2,0,0]=4 2940 B11R1.20 CC(=O)Sc1ccc(F)cc1 Amb25348487 [0,1,0,0,1,0|2,0,0]=4 2941 B11R1.20 CC(=O)Sc1ccc(I)cc1 Amb22344406 [0,1,0,0,1,0|2,0,0]=4 2942 B11R1.20 CC(C)=Cc1ccc(Cl)cc1 Amb4036427 [0,1,0,0,1,0|2,0,0]=4 2943 B11R1.20 Cc1cc[n+](CC(=O)O)cc1 Amb31127610 [0,1,0,0,1,0|1,0,1]=4 2944 B11R1.20 Cc1ccc(C=C(Br)Br)cc1 Amb18117913 [0,1,0,0,1,0|2,0,0]=4 2945 B11R1.20 Cc1ccc(CC(=O)Cl)cc1 Amb2690620 [0,1,0,0,1,0|1,0,1]=4 2946 B11R1.20 Cc1ccc(CC(=O)O)cc1 Amb22434999 [0,1,0,0,1,0|0,0,1]=3 2947 B11R1.20 Cc1ccc(CC(=O)O)cc1 Amb843203 [0,1,0,0,1,0|0,0,1]=3 2948 B11R1.20 Cc1ccc(CC(=O)O)cn1 Amb9199463 [0,1,0,0,1,0|1,0,1]=4 2949 B11R1.20 Cc1ccc(CC(=O)O)nc1 Amb18201731 [0,1,0,0,1,0|1,0,1]=4 2950 B11R1.20 Cc1ccc(CC(=O)O)nc1 Amb22495844 [0,1,0,0,1,0|1,0,1]=4 2951 B11R1.20 Cc1ccc(CC(=O)[O-])cc1 Amb33512947 [0,1,0,0,1,0|0,0,2]=4 2952 B11R1.20 Cc1ccc(CC(N)=O)cc1 Amb3447317 [0,1,0,0,1,0|1,0,1]=4 2953 B11R1.20 Cc1ccc(CC(O)=S)cc1 Amb22229853 [0,1,0,0,1,0|0,1,1]=4 2954 B11R1.20 Cc1ccc(NC(N)=O)cc1 Amb1195893 [0,1,0,0,1,0|2,0,0]=4 2955 B11R1.20 Cc1ccc(OC(=O)Cl)cc1 Amb8515454 [0,1,0,0,1,0|2,0,0]=4 2956 B11R1.20 Cc1ccc(SC(=O)Cl)cc1 Amb2689603 [0,1,0,0,1,0|2,0,0]=4 2957 B11R1.20 Cc1ccc(SC(=O)O)cc1 Amb27227871 [0,1,0,0,1,0|1,0,0]=3 2958 B11R1.20 Clc1ccc(C=C(Br)Br)cc1 Amb10575986 [0,1,0,0,1,0|2,0,0]=4 2959 B11R1.20 F\C(Br)=C/c1ccc(F)cc1 Amb32680147 [0,1,0,0,1,0|2,0,0]=4 2960 B11R1.20 F\C(Br)=C\c1ccc(Br)cc1 Amb24053591 [0,1,0,0,1,0|2,0,0]=4 2961 B11R1.20 F\C(Br)=C\c1ccc(Cl)cc1 Amb24053592 [0,1,0,0,1,0|2,0,0]=4 2962 B11R1.20 Fc1ccc(C=C(Br)Br)cc1 Amb18115317 [0,1,0,0,1,0|2,0,0]=4 2963 B11R1.20 NC(=O)Cc1ccc(Br)cc1 Amb6348337 [0,1,0,0,1,0|1,0,1]=4 2964 B11R1.20 NC(=O)Cc1ccc(Cl)cc1 Amb3886693 [0,1,0,0,1,0|1,0,1]=4 2965 B11R1.20 NC(=O)Cc1ccc(F)cc1 Amb6394603 [0,1,0,0,1,0|1,0,1]=4 2966 B11R1.20 NC(=O)Cc1ccc(I)cc1 Amb25877669 [0,1,0,0,1,0|1,0,1]=4 2967 B11R1.20 NC(=O)Cc1ccc(N)cc1 Amb1121163 [0,1,0,0,1,0|1,0,1]=4 2968 B11R1.20 NC(=O)Cc1ccc(O)cc1 Amb2725568 [0,1,0,0,1,0|1,0,1]=4 2969 B11R1.20 NC(=O)Nc1ccc(Br)cc1 Amb1215049 [0,1,0,0,1,0|2,0,0]=4 2970 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 Amb1195894 [0,1,0,0,1,0|2,0,0]=4 2971 B11R1.20 NC(=O)Nc1ccc(F)cc1 Amb1130731 [0,1,0,0,1,0|2,0,0]=4 2972 B11R1.20 NC(=O)Nc1ccc(I)cc1 Amb1144373 [0,1,0,0,1,0|2,0,0]=4 2973 B11R1.20 NC(=O)Nc1ccc(N)cc1 Amb33536628 [0,1,0,0,1,0|2,0,0]=4 2974 B11R1.20 NC(=O)Oc1ccc(F)cc1 Amb27777176 [0,1,0,0,1,0|2,0,0]=4 2975 B11R1.20 NC(=O)Oc1ccc(N)cc1 Amb27669017 [0,1,0,0,1,0|2,0,0]=4 2976 B11R1.20 NC(=O)Oc1ccc(O)cc1 Amb28396613 [0,1,0,0,1,0|2,0,0]=4 2977 B11R1.20 NC(=O)Sc1ccc(Cl)cc1 Amb27659345 [0,1,0,0,1,0|2,0,0]=4 2978 B11R1.20 NC(=O)Sc1ccc(O)cc1 Amb28137774 [0,1,0,0,1,0|2,0,0]=4 2979 B11R1.20 Nc1ccc(C=C(F)F)cc1 Amb23570652 [0,1,0,0,1,0|2,0,0]=4 2980 B11R1.20 Nc1ccc(CC(=O)O)cc1 Amb532928 [0,1,0,0,1,0|0,0,1]=3 2981 B11R1.20 Nc1ccc(CC(=O)O)cn1 Amb24117183 [0,1,0,0,1,0|1,0,1]=4 2982 B11R1.20 Nc1ccc(CC(=O)O)cn1 Amb8630246 [0,1,0,0,1,0|1,0,1]=4 2983 B11R1.20 Nc1ccc(CC(=O)O)nc1 Amb20248323 [0,1,0,0,1,0|1,0,1]=4 2984 B11R1.20 Nc1ccc(CC(O)=S)cc1 Amb4021984 [0,1,0,0,1,0|0,1,1]=4 2985 B11R1.20 Nc1ccc(OC(=O)F)cc1 Amb28066648 [0,1,0,0,1,0|2,0,0]=4 2986 B11R1.20 O=C(Br)Cc1ccc(F)cc1 Amb25130669 [0,1,0,0,1,0|1,0,1]=4 2987 B11R1.20 O=C(Br)Nc1ccc(Br)cc1 Amb4008202 [0,1,0,0,1,0|2,0,0]=4 2988 B11R1.20 O=C(Cl)Cc1ccc(Br)cc1 Amb33528392 [0,1,0,0,1,0|1,0,1]=4 2989 B11R1.20 O=C(Cl)Cc1ccc(Cl)cc1 Amb1680103 [0,1,0,0,1,0|1,0,1]=4 2990 B11R1.20 O=C(Cl)Cc1ccc(F)cc1 Amb2688305 [0,1,0,0,1,0|1,0,1]=4 2991 B11R1.20 O=C(Cl)Cc1ccc(I)cc1 Amb24693364 [0,1,0,0,1,0|1,0,1]=4 2992 B11R1.20 O=C(Cl)Nc1ccc(Br)cc1 Amb35636932 [0,1,0,0,1,0|2,0,0]=4 2993 B11R1.20 O=C(Cl)Nc1ccc(F)cc1 Amb27176352 [0,1,0,0,1,0|2,0,0]=4 2994 B11R1.20 O=C(Cl)Nc1ccc(I)cc1 Amb35637047 [0,1,0,0,1,0|2,0,0]=4 2995 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 Amb21618685 [0,1,0,0,1,0|2,0,0]=4 2996 B11R1.20 O=C(Cl)Oc1ccc(Cl)cc1 Amb10068923 [0,1,0,0,1,0|2,0,0]=4 2997 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 Amb8515375 [0,1,0,0,1,0|2,0,0]=4 2998 B11R1.20 O=C(Cl)Oc1ccc(I)cc1 Amb25775700 [0,1,0,0,1,0|2,0,0]=4 2999 B11R1.20 O=C(Cl)Sc1ccc(Br)cc1 Amb2685405 [0,1,0,0,1,0|2,0,0]=4 3000 B11R1.20 O=C(Cl)Sc1ccc(Cl)cc1 Amb4006610 [0,1,0,0,1,0|2,0,0]=4 3001 B11R1.20 O=C(Cl)Sc1ccc(F)cc1 Amb2688335 [0,1,0,0,1,0|2,0,0]=4 3002 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Amb33544221 [0,1,0,0,1,0|1,0,1]=4 3003 B11R1.20 O=C(O)CN1C=CC(=S)C=C1 Amb27865440 [0,1,0,0,1,0|1,0,1]=4 3004 B11R1.20 O=C(O)Cc1ccc(Br)cc1 Amb1140645 [0,1,0,0,1,0|0,0,1]=3 3005 B11R1.20 O=C(O)Cc1ccc(Br)cn1 Amb16231529 [0,1,0,0,1,0|1,0,1]=4 3006 B11R1.20 O=C(O)Cc1ccc(Br)cn1 Amb20247880 [0,1,0,0,1,0|1,0,1]=4 3007 B11R1.20 O=C(O)Cc1ccc(Br)nc1 Amb28461368 [0,1,0,0,1,0|1,0,1]=4 3008 B11R1.20 O=C(O)Cc1ccc(Cl)cc1 Amb843205 [0,1,0,0,1,0|0,0,1]=3 3009 B11R1.20 O=C(O)Cc1ccc(Cl)cn1 Amb20247877 [0,1,0,0,1,0|1,0,1]=4 3010 B11R1.20 O=C(O)Cc1ccc(Cl)cn1 Amb30634068 [0,1,0,0,1,0|1,0,1]=4 3011 B11R1.20 O=C(O)Cc1ccc(Cl)nc1 Amb8394904 [0,1,0,0,1,0|1,0,1]=4 3012 B11R1.20 O=C(O)Cc1ccc(F)cc1 Amb535686 [0,1,0,0,1,0|0,0,1]=3 3013 B11R1.20 O=C(O)Cc1ccc(F)cn1 Amb20247873 [0,1,0,0,1,0|1,0,1]=4 3014 B11R1.20 O=C(O)Cc1ccc(F)cn1 Amb28872301 [0,1,0,0,1,0|1,0,1]=4 3015 B11R1.20 O=C(O)Cc1ccc(I)cc1 Amb3792687 [0,1,0,0,1,0|0,0,1]=3 3016 B11R1.20 O=C(O)Cc1ccc(I)cn1 Amb27797104 [0,1,0,0,1,0|1,0,1]=4 3017 B11R1.20 O=C(O)Cc1ccc(O)cc1 Amb1214964 [0,1,0,0,1,0|0,0,1]=3 3018 B11R1.20 O=C(O)Cc1ccc(O)cn1 Amb26848856 [0,1,0,0,1,0|1,0,1]=4 3019 B11R1.20 O=C(O)Cc1ccc(S)cc1 Amb10808003 [0,1,0,0,1,0|0,0,1]=3 3020 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 Amb18029462 [0,1,0,0,1,0|1,0,1]=4 3021 B11R1.20 O=[PH](O)Cc1ccc(O)cc1 Amb27945686 [0,1,0,0,1,0|1,0,1]=4 3022 B11R1.20 Oc1ccc(C=C(Br)Br)cc1 Amb18635918 [0,1,0,0,1,0|2,0,0]=4 3023 B11R1.20 Oc1ccc(C=C(Cl)Cl)cc1 Amb22480456 [0,1,0,0,1,0|2,0,0]=4 3024 B11R1.20 Oc1ccc(C=C(F)F)cc1 Amb28351389 [0,1,0,0,1,0|2,0,0]=4 3025 B11R1.36 BrC(Br)=C(Br)c1ccccc1 Amb20246913 [0,1,0,0,1,0|2,0,0]=4 3026 B11R1.36 C=C(B(O)O)c1ccccc1 Amb10071036 [0,1,0,0,1,0|1,0,1]=4 3027 B11R1.36 C=C(Br)C(=O)c1ccccc1 Amb25208336 [0,1,0,0,1,0|2,0,0]=4 3028 B11R1.36 C=C(C(=O)O)c1ccccc1 Amb8628277 [0,1,0,0,1,0|0,0,0]=2 3029 B11R1.36 C=C(C(=O)O)c1cccnc1 Amb24578705 [0,1,0,0,1,0|1,0,0]=3 3030 B11R1.36 C=C(C(=O)O)c1ccncc1 Amb26880206 [0,1,0,0,1,0|1,0,0]=3 3031 B11R1.36 C=C(C(=O)O)c1ccncn1 Amb33268583 [0,1,0,0,1,0|2,0,0]=4 3032 B11R1.36 C=C(C(=O)O)c1cnccn1 Amb33429680 [0,1,0,0,1,0|2,0,0]=4 3033 B11R1.36 C=C(C(=O)O)c1cncnc1 Amb33149166 [0,1,0,0,1,0|2,0,0]=4 3034 B11R1.36 C=C(C(=O)O)c1ncccn1 Amb33270380 [0,1,0,0,1,0|2,0,0]=4 3035 B11R1.36 C=C(C(C)=O)c1ccncc1 Amb27955060 [0,1,0,0,1,0|2,0,0]=4 3036 B11R1.36 C=C(C)C(=O)c1ccccc1 Amb17593661 [0,1,0,0,1,0|2,0,0]=4 3037 B11R1.36 C=C(Cl)C(=O)c1ccccc1 Amb28075337 [0,1,0,0,1,0|2,0,0]=4 3038 B11R1.36 C=C(c1ccccc1)[N+](=O)[O-] Amb27787298 [0,1,0,0,1,0|1,0,1]=4 3039 B11R1.36 CC(=O)C(=O)c1ccccc1 Amb2099500 [0,1,0,0,1,0|1,0,0]=3 3040 B11R1.36 CC(=O)C(=O)c1ccccn1 Amb26880304 [0,1,0,0,1,0|2,0,0]=4 3041 B11R1.36 CC(=O)C(=O)c1cccnc1 Amb25152863 [0,1,0,0,1,0|2,0,0]=4 3042 B11R1.36 CC(=O)C(=O)c1ccncc1 Amb26074229 [0,1,0,0,1,0|2,0,0]=4 3043 B11R1.36 CC(=O)C(Br)c1ccccc1 Amb16234147 [0,1,0,0,1,0|1,0,1]=4 3044 B11R1.36 CC(=O)C(C)c1ccccc1 Amb17593697 [0,1,0,0,1,0|1,0,1]=4 3045 B11R1.36 CC(=O)C(Cl)c1ccccc1 Amb387177 [0,1,0,0,1,0|1,0,1]=4 3046 B11R1.36 CC(=O)C(F)c1ccccc1 Amb26477979 [0,1,0,0,1,0|1,0,1]=4 3047 B11R1.36 CC(=O)C(N)c1ccccc1 Amb25131723 [0,1,0,0,1,0|1,0,1]=4 3048 B11R1.36 CC(=O)C(N)c1ccccc1 Amb2725723 [0,1,0,0,1,0|1,0,1]=4 3049 B11R1.36 CC(=O)C(O)c1ccccc1 Amb17593725 [0,1,0,0,1,0|1,0,1]=4 3050 B11R1.36 CC(=O)C(S)c1ccccc1 Amb17594139 [0,1,0,0,1,0|1,0,1]=4 3051 B11R1.36 CC(=O)N(C)c1ccccc1 Amb2610164 [0,1,0,0,1,0|2,0,0]=4 3052 B11R1.36 CC(=O)N(Cl)c1ccccc1 Amb17672882 [0,1,0,0,1,0|2,0,0]=4 3053 B11R1.36 CC(=O)N(N)c1ccccc1 Amb4018565 [0,1,0,0,1,0|2,0,0]=4 3054 B11R1.36 CC(=O)N(O)c1ccccc1 Amb9786754 [0,1,0,0,1,0|2,0,0]=4 3055 B11R1.36 CC(=O)[C@@H](Br)c1ccccc1 Amb27176478 [0,1,0,0,1,0|1,0,1]=4 3056 B11R1.36 CC(=O)[C@@H](O)c1ccccc1 Amb17619252 [0,1,0,0,1,0|1,0,1]=4 3057 B11R1.36 CC(=O)[C@H](O)c1ccccc1 Amb25088683 [0,1,0,0,1,0|1,0,1]=4 3058 B11R1.36 CC(C(=O)O)c1ccccc1 Amb2720839 [0,1,0,0,1,0|0,0,1]=3 3059 B11R1.36 CC(C(=O)O)c1ccccn1 Amb18951446 [0,1,0,0,1,0|1,0,1]=4 3060 B11R1.36 CC(C(=O)O)c1cccnc1 Amb33537627 [0,1,0,0,1,0|1,0,1]=4 3061 B11R1.36 CC(C(=O)O)c1ccncc1 Amb18952037 [0,1,0,0,1,0|1,0,1]=4 3062 B11R1.36 CC(C(N)=O)c1ccccc1 Amb25837417 [0,1,0,0,1,0|1,0,1]=4 3063 B11R1.36 CC(C)=C(C)c1ccccc1 Amb2780673 [0,1,0,0,1,0|2,0,0]=4 3064 B11R1.36 CC(O)C(=O)c1ccccc1 Amb18799361 [0,1,0,0,1,0|1,0,1]=4 3065 B11R1.36 CC(c1ccccc1)[PH](=O)O Amb28422773 [0,1,0,0,1,0|1,0,1]=4 3066 B11R1.36 CN(C(=O)Cl)c1ccccc1 Amb8516708 [0,1,0,0,1,0|2,0,0]=4 3067 B11R1.36 CN(C(N)=O)c1ccccc1 Amb1137584 [0,1,0,0,1,0|2,0,0]=4 3068 B11R1.36 CN(O)C(=O)c1ccccc1 Amb25082592 [0,1,0,0,1,0|2,0,0]=4 3069 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 Amb8514913 [0,1,0,0,1,0|0,0,1]=3 3070 B11R1.36 C[C@@H](C(=O)O)c1cccnc1 Amb33729606 [0,1,0,0,1,0|1,0,1]=4 3071 B11R1.36 C[C@@H](C(=O)O)c1ccncc1 Amb33729607 [0,1,0,0,1,0|1,0,1]=4 3072 B11R1.36 C[C@@H](C(N)=O)c1ccccc1 Amb4166308 [0,1,0,0,1,0|1,0,1]=4 3073 B11R1.36 C[C@H](C(=O)O)c1ccccc1 Amb3938973 [0,1,0,0,1,0|0,0,1]=3 3074 B11R1.36 C[C@H](C(=O)O)c1cccnc1 Amb33747707 [0,1,0,0,1,0|1,0,1]=4 3075 B11R1.36 C[C@H](C(=O)O)c1ccncc1 Amb33744370 [0,1,0,0,1,0|1,0,1]=4 3076 B11R1.36 C[C@H](C(N)=O)c1ccccc1 Amb4166312 [0,1,0,0,1,0|1,0,1]=4 3077 B11R1.36 C\C(Br)=C(/C)c1ccccc1 Amb4035425 [0,1,0,0,1,0|2,0,0]=4 3078 B11R1.36 FC(F)=C(Br)c1ccccc1 Amb22008100 [0,1,0,0,1,0|2,0,0]=4 3079 B11R1.36 FC(F)=C(F)c1ccccc1 Amb10839818 [0,1,0,0,1,0|2,0,0]=4 3080 B11R1.36 F\C(Cl)=C(/F)c1ccccc1 Amb13952905 [0,1,0,0,1,0|2,0,0]=4 3081 B11R1.36 N=C(N)C(=O)c1ccccc1 Amb27654024 [0,1,0,0,1,0|2,0,0]=4 3082 B11R1.36 NC(=O)C(=O)c1ccccc1 Amb18560879 [0,1,0,0,1,0|1,0,0]=3 3083 B11R1.36 NC(=O)C(=O)c1cccnc1 Amb18063199 [0,1,0,0,1,0|2,0,0]=4 3084 B11R1.36 NC(=O)C(Br)c1ccccc1 Amb23450271 [0,1,0,0,1,0|1,0,1]=4 3085 B11R1.36 NC(=O)C(Cl)c1ccccc1 Amb1678054 [0,1,0,0,1,0|1,0,1]=4 3086 B11R1.36 NC(=O)C(N)c1ccccc1 Amb13951330 [0,1,0,0,1,0|1,0,1]=4 3087 B11R1.36 NC(=O)C(N)c1ccccc1 Amb9720012 [0,1,0,0,1,0|1,0,1]=4 3088 B11R1.36 NC(=O)C(O)c1ccccc1 Amb2611605 [0,1,0,0,1,0|1,0,1]=4 3089 B11R1.36 NC(=O)C(S)c1ccccc1 Amb27823310 [0,1,0,0,1,0|1,0,1]=4 3090 B11R1.36 NC(=O)[C@@H](Cl)c1ccccc1 Amb28244737 [0,1,0,0,1,0|1,0,1]=4 3091 B11R1.36 NC(=O)[C@@H](N)c1ccccc1 Amb10603128 [0,1,0,0,1,0|1,0,1]=4 3092 B11R1.36 NC(=O)[C@@H](N)c1ccccc1 Amb22745343 [0,1,0,0,1,0|1,0,1]=4 3093 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 Amb20671372 [0,1,0,0,1,0|1,0,1]=4 3094 B11R1.36 NC(=O)[C@H](N)c1ccccc1 Amb22353208 [0,1,0,0,1,0|1,0,1]=4 3095 B11R1.36 NC(=O)[C@H](N)c1ccccc1 Amb8392882 [0,1,0,0,1,0|1,0,1]=4 3096 B11R1.36 NC(=O)[C@H](O)c1ccccc1 Amb20671371 [0,1,0,0,1,0|1,0,1]=4 3097 B11R1.36 NC(=S)C(=O)c1ccccc1 Amb6892994 [0,1,0,0,1,0|1,1,0]=4 3098 B11R1.36 NC(C(=O)Cl)c1ccccc1 Amb21912493 [0,1,0,0,1,0|1,0,1]=4 3099 B11R1.36 NC(C(=O)Cl)c1ccccc1 Amb533254 [0,1,0,0,1,0|1,0,1]=4 3100 B11R1.36 NC(C(=O)O)c1ccccc1 Amb1869285 [0,1,0,0,1,0|0,0,1]=3 3101 B11R1.36 NC(C(=O)O)c1ccccn1 Amb2696726 [0,1,0,0,1,0|1,0,1]=4 3102 B11R1.36 NC(C(=O)O)c1cccnc1 Amb10632723 [0,1,0,0,1,0|1,0,1]=4 3103 B11R1.36 NC(C(=O)O)c1cccnc1 Amb2696725 [0,1,0,0,1,0|1,0,1]=4 3104 B11R1.36 NC(C(=O)O)c1ccncc1 Amb2696724 [0,1,0,0,1,0|1,0,1]=4 3105 B11R1.36 NC(C(=O)O)c1ccncc1 Amb2699210 [0,1,0,0,1,0|1,0,1]=4 3106 B11R1.36 NC(C(O)=S)c1ccccc1 Amb27985091 [0,1,0,0,1,0|0,1,1]=4 3107 B11R1.36 N[C@@H](C(=O)Cl)c1ccccc1 Amb22351781 [0,1,0,0,1,0|1,0,1]=4 3108 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 Amb22745585 [0,1,0,0,1,0|0,0,1]=3 3109 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 Amb2747967 [0,1,0,0,1,0|0,0,1]=3 3110 B11R1.36 N[C@@H](C(=O)O)c1ccccn1 Amb27410783 [0,1,0,0,1,0|1,0,1]=4 3111 B11R1.36 N[C@@H](C(=O)O)c1ccncc1 Amb27621348 [0,1,0,0,1,0|1,0,1]=4 3112 B11R1.36 N[C@H](C(=O)O)c1ccccc1 Amb533283 [0,1,0,0,1,0|0,0,1]=3 3113 B11R1.36 N[C@H](C(=O)O)c1ccncc1 Amb2694813 [0,1,0,0,1,0|1,0,1]=4 3114 B11R1.36 O=C(Cl)C(=O)c1ccccn1 Amb27954072 [0,1,0,0,1,0|2,0,0]=4 3115 B11R1.36 O=C(Cl)C(Br)c1ccccc1 Amb27597409 [0,1,0,0,1,0|1,0,1]=4 3116 B11R1.36 O=C(Cl)C(Cl)c1ccccc1 Amb9703183 [0,1,0,0,1,0|1,0,1]=4 3117 B11R1.36 O=C(Cl)C(F)c1ccccc1 Amb27617426 [0,1,0,0,1,0|1,0,1]=4 3118 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb2611302 [0,1,0,0,1,0|0,0,0]=2 3119 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb33204525 [0,1,0,0,1,0|0,0,0]=2 3120 B11R1.36 O=C(O)C(=O)c1ccccn1 Amb18831273 [0,1,0,0,1,0|1,0,0]=3 3121 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb15701278 [0,1,0,0,1,0|1,0,0]=3 3122 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb22492371 [0,1,0,0,1,0|1,0,0]=3 3123 B11R1.36 O=C(O)C(=O)c1ccncn1 Amb33269065 [0,1,0,0,1,0|2,0,0]=4 3124 B11R1.36 O=C(O)C(=O)c1ccnnc1 Amb28189420 [0,1,0,0,1,0|2,0,0]=4 3125 B11R1.36 O=C(O)C(=O)c1cncnc1 Amb27751777 [0,1,0,0,1,0|2,0,0]=4 3126 B11R1.36 O=C(O)C(=O)c1ncccn1 Amb25127552 [0,1,0,0,1,0|2,0,0]=4 3127 B11R1.36 O=C(O)C(Br)c1ccccc1 Amb2720724 [0,1,0,0,1,0|0,0,1]=3 3128 B11R1.36 O=C(O)C(Cl)c1ccccc1 Amb518006 [0,1,0,0,1,0|0,0,1]=3 3129 B11R1.36 O=C(O)C(Cl)c1ccccn1 Amb26452015 [0,1,0,0,1,0|1,0,1]=4 3130 B11R1.36 O=C(O)C(Cl)c1cccnc1 Amb24089492 [0,1,0,0,1,0|1,0,1]=4 3131 B11R1.36 O=C(O)C(Cl)c1ccncc1 Amb24488132 [0,1,0,0,1,0|1,0,1]=4 3132 B11R1.36 O=C(O)C(F)c1ccccc1 Amb2688302 [0,1,0,0,1,0|0,0,1]=3 3133 B11R1.36 O=C(O)C(F)c1ccccn1 Amb25149165 [0,1,0,0,1,0|1,0,1]=4 3134 B11R1.36 O=C(O)C(F)c1cccnc1 Amb28128383 [0,1,0,0,1,0|1,0,1]=4 3135 B11R1.36 O=C(O)C(F)c1ccncc1 Amb24466152 [0,1,0,0,1,0|1,0,1]=4 3136 B11R1.36 O=C(O)C(O)c1ccccc1 Amb4018578 [0,1,0,0,1,0|0,0,1]=3 3137 B11R1.36 O=C(O)C(O)c1ccccc1 Amb9703097 [0,1,0,0,1,0|0,0,1]=3 3138 B11R1.36 O=C(O)C(O)c1ccccn1 Amb18201201 [0,1,0,0,1,0|1,0,1]=4 3139 B11R1.36 O=C(O)C(O)c1cccnc1 Amb18952024 [0,1,0,0,1,0|1,0,1]=4 3140 B11R1.36 O=C(O)C(O)c1cccnc1 Amb19373382 [0,1,0,0,1,0|1,0,1]=4 3141 B11R1.36 O=C(O)C(O)c1ccncc1 Amb18201200 [0,1,0,0,1,0|1,0,1]=4 3142 B11R1.36 O=C(O)C(S)c1ccccc1 Amb6753823 [0,1,0,0,1,0|0,0,1]=3 3143 B11R1.36 O=C(O)C(S)c1ccncc1 Amb28291536 [0,1,0,0,1,0|1,0,1]=4 3144 B11R1.36 O=C(O)[C@@H](Br)c1ccccc1 Amb25056175 [0,1,0,0,1,0|0,0,1]=3 3145 B11R1.36 O=C(O)[C@@H](Cl)c1ccccc1 Amb27413742 [0,1,0,0,1,0|0,0,1]=3 3146 B11R1.36 O=C(O)[C@@H](F)c1ccccc1 Amb27632458 [0,1,0,0,1,0|0,0,1]=3 3147 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 Amb6354582 [0,1,0,0,1,0|0,0,1]=3 3148 B11R1.36 O=C(O)[C@@H](S)c1ccncc1 Amb28325592 [0,1,0,0,1,0|1,0,1]=4 3149 B11R1.36 O=C(O)[C@H](Br)c1ccccc1 Amb27176517 [0,1,0,0,1,0|0,0,1]=3 3150 B11R1.36 O=C(O)[C@H](F)c1ccccc1 Amb27955206 [0,1,0,0,1,0|0,0,1]=3 3151 B11R1.36 O=C(O)[C@H](O)c1ccccc1 Amb3428495 [0,1,0,0,1,0|0,0,1]=3 3152 B11R1.36 O=C([O-])C(=O)c1ccccc1 Amb33204524 [0,1,0,0,1,0|0,0,1]=3 3153 B11R1.36 O=C([O-])C(F)c1ccccc1 Amb33512978 [0,1,0,0,1,0|0,0,2]=4 3154 B11R1.36 O=C(c1ccccc1)C(O)Cl Amb24528115 [0,1,0,0,1,0|1,0,1]=4 3155 B11R1.36 O=C(c1ccccc1)C(O)O Amb8392241 [0,1,0,0,1,0|0,0,2]=4 3156 B11R1.36 O=[PH](O)C(O)c1ccccc1 Amb21618921 [0,1,0,0,1,0|1,0,1]=4 3157 B11R1.36 [NH3+]C(C(=O)O)c1ccccc1 Amb22641589 [0,1,0,0,1,0|0,0,1]=3 3158 B11R1.86 BrC(Br)=Cc1ccccc1Br Amb24074060 [0,1,0,0,1,0|2,0,0]=4 3159 B11R1.86 CC(=O)Cc1ccccc1Br Amb6365737 [0,1,0,0,1,0|1,0,1]=4 3160 B11R1.86 CC(=O)Cc1ccccc1C Amb5751053 [0,1,0,0,1,0|1,0,1]=4 3161 B11R1.86 CC(=O)Cc1ccccc1Cl Amb2724208 [0,1,0,0,1,0|1,0,1]=4 3162 B11R1.86 CC(=O)Cc1ccccc1F Amb5751055 [0,1,0,0,1,0|1,0,1]=4 3163 B11R1.86 CC(=O)Cc1ccccc1I Amb24431271 [0,1,0,0,1,0|1,0,1]=4 3164 B11R1.86 CC(=O)Cc1ccccc1N Amb8439140 [0,1,0,0,1,0|1,0,1]=4 3165 B11R1.86 CC(=O)Cc1ccccc1O Amb18041942 [0,1,0,0,1,0|1,0,1]=4 3166 B11R1.86 CC(=O)Nc1ccccc1Br Amb2611397 [0,1,0,0,1,0|2,0,0]=4 3167 B11R1.86 CC(=O)Nc1ccccc1C Amb6346350 [0,1,0,0,1,0|2,0,0]=4 3168 B11R1.86 CC(=O)Nc1ccccc1Cl Amb6349758 [0,1,0,0,1,0|2,0,0]=4 3169 B11R1.86 CC(=O)Nc1ccccc1F Amb2444091 [0,1,0,0,1,0|2,0,0]=4 3170 B11R1.86 CC(=O)Nc1ccccc1I Amb2652722 [0,1,0,0,1,0|2,0,0]=4 3171 B11R1.86 CC(=O)Nc1ccccc1N Amb1121033 [0,1,0,0,1,0|2,0,0]=4 3172 B11R1.86 CC(=O)Nc1ccccc1O Amb1212257 [0,1,0,0,1,0|2,0,0]=4 3173 B11R1.86 CC(=O)Nc1ccccc1S Amb16186713 [0,1,0,0,1,0|2,0,0]=4 3174 B11R1.86 CC(=O)Oc1ccccc1Br Amb20242519 [0,1,0,0,1,0|2,0,0]=4 3175 B11R1.86 CC(=O)Oc1ccccc1Cl Amb3123033 [0,1,0,0,1,0|2,0,0]=4 3176 B11R1.86 CC(=O)Oc1ccccc1F Amb10605688 [0,1,0,0,1,0|2,0,0]=4 3177 B11R1.86 CC(=O)Oc1ccccc1I Amb10975213 [0,1,0,0,1,0|2,0,0]=4 3178 B11R1.86 CC(=O)Oc1ccccc1O Amb18125344 [0,1,0,0,1,0|2,0,0]=4 3179 B11R1.86 CC(=O)Sc1ccccc1C Amb25189277 [0,1,0,0,1,0|2,0,0]=4 3180 B11R1.86 CC(C)=Cc1ccccc1Br Amb27395335 [0,1,0,0,1,0|2,0,0]=4 3181 B11R1.86 C\C(Br)=C\c1ccccc1N Amb27643490 [0,1,0,0,1,0|2,0,0]=4 3182 B11R1.86 Cc1cccc[n+]1CC(=O)O Amb26371547 [0,1,0,0,1,0|1,0,1]=4 3183 B11R1.86 Cc1ccccc1CC(=O)Cl Amb2690618 [0,1,0,0,1,0|1,0,1]=4 3184 B11R1.86 Cc1ccccc1CC(=O)O Amb2609430 [0,1,0,0,1,0|0,0,1]=3 3185 B11R1.86 Cc1ccccc1CC(N)=O Amb2107849 [0,1,0,0,1,0|1,0,1]=4 3186 B11R1.86 Cc1ccccc1NC(N)=O Amb6357971 [0,1,0,0,1,0|2,0,0]=4 3187 B11R1.86 Cc1ccccc1OC(=O)Cl Amb24055454 [0,1,0,0,1,0|2,0,0]=4 3188 B11R1.86 Cc1ccccc1SC(N)=O Amb27951930 [0,1,0,0,1,0|2,0,0]=4 3189 B11R1.86 Cc1cccnc1CC(=O)O Amb20247885 [0,1,0,0,1,0|1,0,1]=4 3190 B11R1.86 Cc1cccnc1CC(=O)O Amb22587588 [0,1,0,0,1,0|1,0,1]=4 3191 B11R1.86 Cc1ccncc1CC(=O)O Amb18201752 [0,1,0,0,1,0|1,0,1]=4 3192 B11R1.86 Cc1ccncc1CC(=O)O Amb32666498 [0,1,0,0,1,0|1,0,1]=4 3193 B11R1.86 Cc1cnccc1CC(=O)O Amb33249640 [0,1,0,0,1,0|1,0,1]=4 3194 B11R1.86 Cc1ncccc1CC(=O)O Amb18215698 [0,1,0,0,1,0|1,0,1]=4 3195 B11R1.86 Cc1ncccc1CC(=O)O Amb28652864 [0,1,0,0,1,0|1,0,1]=4 3196 B11R1.86 F\C(Br)=C/c1ccccc1F Amb32680149 [0,1,0,0,1,0|2,0,0]=4 3197 B11R1.86 Fc1ccccc1C=C(Br)Br Amb18115341 [0,1,0,0,1,0|2,0,0]=4 3198 B11R1.86 N=C1C=CC=CN1CC(=O)O Amb19888680 [0,1,0,0,1,0|1,0,1]=4 3199 B11R1.86 NC(=O)Cc1ccccc1Br Amb2754651 [0,1,0,0,1,0|1,0,1]=4 3200 B11R1.86 NC(=O)Cc1ccccc1Cl Amb33551592 [0,1,0,0,1,0|1,0,1]=4 3201 B11R1.86 NC(=O)Cc1ccccc1F Amb33551560 [0,1,0,0,1,0|1,0,1]=4 3202 B11R1.86 NC(=O)Cc1ccccc1I Amb24685113 [0,1,0,0,1,0|1,0,1]=4 3203 B11R1.86 NC(=O)Cc1ccccc1N Amb1116123 [0,1,0,0,1,0|1,0,1]=4 3204 B11R1.86 NC(=O)Cc1ccccc1O Amb4020853 [0,1,0,0,1,0|1,0,1]=4 3205 B11R1.86 NC(=O)Nc1ccccc1Br Amb1140530 [0,1,0,0,1,0|2,0,0]=4 3206 B11R1.86 NC(=O)Nc1ccccc1Cl Amb1131193 [0,1,0,0,1,0|2,0,0]=4 3207 B11R1.86 NC(=O)Nc1ccccc1F Amb1211836 [0,1,0,0,1,0|2,0,0]=4 3208 B11R1.86 NC(=O)Nc1ccccc1N Amb1114330 [0,1,0,0,1,0|2,0,0]=4 3209 B11R1.86 NC(=O)Nc1ccccc1O Amb18125361 [0,1,0,0,1,0|2,0,0]=4 3210 B11R1.86 NC(=O)Oc1ccccc1O Amb27148270 [0,1,0,0,1,0|2,0,0]=4 3211 B11R1.86 Nc1ccccc1CC(=O)O Amb5519014 [0,1,0,0,1,0|0,0,1]=3 3212 B11R1.86 Nc1ncccc1CC(=O)O Amb21962140 [0,1,0,0,1,0|1,0,1]=4 3213 B11R1.86 Nc1ncccc1CC(=O)O Amb28652875 [0,1,0,0,1,0|1,0,1]=4 3214 B11R1.86 O=C(Cl)Cc1ccccc1Br Amb3939380 [0,1,0,0,1,0|1,0,1]=4 3215 B11R1.86 O=C(Cl)Cc1ccccc1Cl Amb6743385 [0,1,0,0,1,0|1,0,1]=4 3216 B11R1.86 O=C(Cl)Cc1ccccc1F Amb2608188 [0,1,0,0,1,0|1,0,1]=4 3217 B11R1.86 O=C(Cl)Cc1ccccc1I Amb28368335 [0,1,0,0,1,0|1,0,1]=4 3218 B11R1.86 O=C(Cl)Cc1ccccc1O Amb27477566 [0,1,0,0,1,0|1,0,1]=4 3219 B11R1.86 O=C(Cl)Nc1ccccc1Br Amb35636931 [0,1,0,0,1,0|2,0,0]=4 3220 B11R1.86 O=C(Cl)Nc1ccccc1Cl Amb27653292 [0,1,0,0,1,0|2,0,0]=4 3221 B11R1.86 O=C(Cl)Nc1ccccc1F Amb35637035 [0,1,0,0,1,0|2,0,0]=4 3222 B11R1.86 O=C(Cl)Nc1ccccc1I Amb35637031 [0,1,0,0,1,0|2,0,0]=4 3223 B11R1.86 O=C(Cl)Oc1ccccc1Br Amb28365355 [0,1,0,0,1,0|2,0,0]=4 3224 B11R1.86 O=C(Cl)Oc1ccccc1Cl Amb10844668 [0,1,0,0,1,0|2,0,0]=4 3225 B11R1.86 O=C(Cl)Oc1ccccc1F Amb26641132 [0,1,0,0,1,0|2,0,0]=4 3226 B11R1.86 O=C(Cl)Oc1ccccc1I Amb28313136 [0,1,0,0,1,0|2,0,0]=4 3227 B11R1.86 O=C(Cl)Sc1ccccc1Cl Amb32679650 [0,1,0,0,1,0|2,0,0]=4 3228 B11R1.86 O=C(Cl)Sc1ccccc1F Amb2688333 [0,1,0,0,1,0|2,0,0]=4 3229 B11R1.86 O=C(O)CC1=CC=CNC1=O Amb18925114 [0,1,0,0,1,0|1,0,1]=4 3230 B11R1.86 O=C(O)CC1=CNC=CC1=O Amb25684519 [0,1,0,0,1,0|1,0,1]=4 3231 B11R1.86 O=C(O)CN1C=CC=CC1=O Amb18536106 [0,1,0,0,1,0|1,0,1]=4 3232 B11R1.86 O=C(O)C[n+]1ccccc1O Amb27233666 [0,1,0,0,1,0|1,0,1]=4 3233 B11R1.86 O=C(O)Cc1ccccc1Br Amb1139894 [0,1,0,0,1,0|0,0,1]=3 3234 B11R1.86 O=C(O)Cc1ccccc1Cl Amb6365808 [0,1,0,0,1,0|0,0,1]=3 3235 B11R1.86 O=C(O)Cc1ccccc1F Amb2688300 [0,1,0,0,1,0|0,0,1]=3 3236 B11R1.86 O=C(O)Cc1ccccc1I Amb2754650 [0,1,0,0,1,0|0,0,1]=3 3237 B11R1.86 O=C(O)Cc1ccccc1O Amb2388914 [0,1,0,0,1,0|0,0,1]=3 3238 B11R1.86 O=C(O)Cc1ccccc1S Amb17616851 [0,1,0,0,1,0|0,0,1]=3 3239 B11R1.86 O=C(O)Cc1cccnc1Br Amb25834640 [0,1,0,0,1,0|1,0,1]=4 3240 B11R1.86 O=C(O)Cc1cccnc1Cl Amb8630440 [0,1,0,0,1,0|1,0,1]=4 3241 B11R1.86 O=C(O)Cc1cccnc1F Amb20247892 [0,1,0,0,1,0|1,0,1]=4 3242 B11R1.86 O=C(O)Cc1ccncc1Br Amb23586154 [0,1,0,0,1,0|1,0,1]=4 3243 B11R1.86 O=C(O)Cc1ccncc1Cl Amb18198379 [0,1,0,0,1,0|1,0,1]=4 3244 B11R1.86 O=C(O)Cc1ccncc1Cl Amb28872303 [0,1,0,0,1,0|1,0,1]=4 3245 B11R1.86 O=C(O)Cc1ccncc1F Amb24379723 [0,1,0,0,1,0|1,0,1]=4 3246 B11R1.86 O=C(O)Cc1cnccc1Cl Amb18198378 [0,1,0,0,1,0|1,0,1]=4 3247 B11R1.86 O=C(O)Cc1cnccc1Cl Amb28872302 [0,1,0,0,1,0|1,0,1]=4 3248 B11R1.86 O=C(O)Cc1cnccc1O Amb33547475 [0,1,0,0,1,0|1,0,1]=4 3249 B11R1.86 O=C(O)Cc1ncccc1Br Amb20247878 [0,1,0,0,1,0|1,0,1]=4 3250 B11R1.86 O=C(O)Cc1ncccc1Br Amb20247879 [0,1,0,0,1,0|1,0,1]=4 3251 B11R1.86 O=C(O)Cc1ncccc1Cl Amb19516058 [0,1,0,0,1,0|1,0,1]=4 3252 B11R1.86 O=C(O)Cc1ncccc1F Amb20247871 [0,1,0,0,1,0|1,0,1]=4 3253 B11R1.86 O=C(O)Cc1ncccc1F Amb33204428 [0,1,0,0,1,0|1,0,1]=4 3254 B11R1.86 O=C(O)Cc1ncccc1O Amb18125512 [0,1,0,0,1,0|1,0,1]=4 3255 B11R1.86 O=C(O)Cc1ncccc1O Amb20247882 [0,1,0,0,1,0|1,0,1]=4 3256 B11R1.86 O=S(O)Cc1ccccc1F Amb27640525 [0,1,0,0,1,0|1,0,1]=4 3257 B11R1.86 O=[PH](O)Oc1ccccc1O Amb28122429 [0,1,0,0,1,0|2,0,0]=4 3258 B11R1.86 Oc1ccccc1C=C(Br)Br Amb28077279 [0,1,0,0,1,0|2,0,0]=4 3259 B11R1.157 BrC(Br)=Cc1cccc(Br)c1 Amb26010765 [0,1,0,0,1,0|2,0,0]=4 3260 B11R1.157 BrC(Br)=Cc1cccc(I)c1 Amb27989203 [0,1,0,0,1,0|2,0,0]=4 3261 B11R1.157 CC(=O)Cc1cccc(Br)c1 Amb2720459 [0,1,0,0,1,0|1,0,1]=4 3262 B11R1.157 CC(=O)Cc1cccc(C)c1 Amb5751054 [0,1,0,0,1,0|1,0,1]=4 3263 B11R1.157 CC(=O)Cc1cccc(Cl)c1 Amb2720462 [0,1,0,0,1,0|1,0,1]=4 3264 B11R1.157 CC(=O)Cc1cccc(F)c1 Amb6296723 [0,1,0,0,1,0|1,0,1]=4 3265 B11R1.157 CC(=O)Cc1cccc(I)c1 Amb6298715 [0,1,0,0,1,0|1,0,1]=4 3266 B11R1.157 CC(=O)Cc1cccc(N)c1 Amb17477728 [0,1,0,0,1,0|1,0,1]=4 3267 B11R1.157 CC(=O)Cc1cccc(O)c1 Amb16192704 [0,1,0,0,1,0|1,0,1]=4 3268 B11R1.157 CC(=O)Nc1cccc(Br)c1 Amb1019639 [0,1,0,0,1,0|2,0,0]=4 3269 B11R1.157 CC(=O)Nc1cccc(C)c1 Amb1934773 [0,1,0,0,1,0|2,0,0]=4 3270 B11R1.157 CC(=O)Nc1cccc(Cl)c1 Amb2613344 [0,1,0,0,1,0|2,0,0]=4 3271 B11R1.157 CC(=O)Nc1cccc(F)c1 Amb2688004 [0,1,0,0,1,0|2,0,0]=4 3272 B11R1.157 CC(=O)Nc1cccc(I)c1 Amb2974878 [0,1,0,0,1,0|2,0,0]=4 3273 B11R1.157 CC(=O)Nc1cccc(N)c1 Amb2720166 [0,1,0,0,1,0|2,0,0]=4 3274 B11R1.157 CC(=O)Nc1cccc(N)c1 Amb6335837 [0,1,0,0,1,0|2,0,0]=4 3275 B11R1.157 CC(=O)Nc1cccc(O)c1 Amb1208498 [0,1,0,0,1,0|2,0,0]=4 3276 B11R1.157 CC(=O)Nc1cccc(S)c1 Amb27446574 [0,1,0,0,1,0|2,0,0]=4 3277 B11R1.157 CC(=O)Oc1cccc(Br)c1 Amb21858014 [0,1,0,0,1,0|2,0,0]=4 3278 B11R1.157 CC(=O)Oc1cccc(C)c1 Amb4036635 [0,1,0,0,1,0|2,0,0]=4 3279 B11R1.157 CC(=O)Oc1cccc(F)c1 Amb8515094 [0,1,0,0,1,0|2,0,0]=4 3280 B11R1.157 CC(=O)Oc1cccc(I)c1 Amb8388215 [0,1,0,0,1,0|2,0,0]=4 3281 B11R1.157 CC(=O)Oc1cccc(O)c1 Amb3941494 [0,1,0,0,1,0|2,0,0]=4 3282 B11R1.157 CC(=O)Sc1cccc(Cl)c1 Amb27483012 [0,1,0,0,1,0|2,0,0]=4 3283 B11R1.157 CC(C)=Cc1cccc(N)c1 Amb28437291 [0,1,0,0,1,0|2,0,0]=4 3284 B11R1.157 Cc1cc(CC(=O)O)ccn1 Amb18831266 [0,1,0,0,1,0|1,0,1]=4 3285 B11R1.157 Cc1cccc(C=C(Br)Br)c1 Amb18635919 [0,1,0,0,1,0|2,0,0]=4 3286 B11R1.157 Cc1cccc(CC(=O)Cl)c1 Amb2690619 [0,1,0,0,1,0|1,0,1]=4 3287 B11R1.157 Cc1cccc(CC(=O)O)c1 Amb2690617 [0,1,0,0,1,0|0,0,1]=3 3288 B11R1.157 Cc1cccc(CC(=O)O)n1 Amb17617788 [0,1,0,0,1,0|1,0,1]=4 3289 B11R1.157 Cc1cccc(CC(N)=O)c1 Amb2107850 [0,1,0,0,1,0|1,0,1]=4 3290 B11R1.157 Cc1cccc(NC(=O)Cl)c1 Amb27230507 [0,1,0,0,1,0|2,0,0]=4 3291 B11R1.157 Cc1cccc(NC(N)=O)c1 Amb1139814 [0,1,0,0,1,0|2,0,0]=4 3292 B11R1.157 Cc1cccc(OC(=O)Cl)c1 Amb33542810 [0,1,0,0,1,0|2,0,0]=4 3293 B11R1.157 Cc1ccnc(CC(=O)O)c1 Amb18201755 [0,1,0,0,1,0|1,0,1]=4 3294 B11R1.157 Cc1ccnc(CC(=O)O)c1 Amb22587582 [0,1,0,0,1,0|1,0,1]=4 3295 B11R1.157 Cc1cncc(CC(=O)O)c1 Amb18201711 [0,1,0,0,1,0|1,0,1]=4 3296 B11R1.157 Cc1cncc(CC(=O)O)c1 Amb28652865 [0,1,0,0,1,0|1,0,1]=4 3297 B11R1.157 Clc1cccc(C=C(Br)Br)c1 Amb24355244 [0,1,0,0,1,0|2,0,0]=4 3298 B11R1.157 FC(F)=Cc1cccc(Br)c1 Amb22229231 [0,1,0,0,1,0|2,0,0]=4 3299 B11R1.157 F\C(Br)=C\c1cccc(Cl)c1 Amb24053593 [0,1,0,0,1,0|2,0,0]=4 3300 B11R1.157 Fc1cccc(C=C(Br)Br)c1 Amb18114971 [0,1,0,0,1,0|2,0,0]=4 3301 B11R1.157 NC(=O)Cc1cccc(Br)c1 Amb2447571 [0,1,0,0,1,0|1,0,1]=4 3302 B11R1.157 NC(=O)Cc1cccc(Cl)c1 Amb17400312 [0,1,0,0,1,0|1,0,1]=4 3303 B11R1.157 NC(=O)Cc1cccc(F)c1 Amb8050208 [0,1,0,0,1,0|1,0,1]=4 3304 B11R1.157 NC(=O)Cc1cccc(I)c1 Amb25750996 [0,1,0,0,1,0|1,0,1]=4 3305 B11R1.157 NC(=O)Cc1cccc(N)c1 Amb8426825 [0,1,0,0,1,0|1,0,1]=4 3306 B11R1.157 NC(=O)Cc1cccc(O)c1 Amb6297142 [0,1,0,0,1,0|1,0,1]=4 3307 B11R1.157 NC(=O)Nc1cccc(Br)c1 Amb1130078 [0,1,0,0,1,0|2,0,0]=4 3308 B11R1.157 NC(=O)Nc1cccc(Cl)c1 Amb1132008 [0,1,0,0,1,0|2,0,0]=4 3309 B11R1.157 NC(=O)Nc1cccc(F)c1 Amb1133367 [0,1,0,0,1,0|2,0,0]=4 3310 B11R1.157 NC(=O)Nc1cccc(I)c1 Amb7761980 [0,1,0,0,1,0|2,0,0]=4 3311 B11R1.157 NC(=O)Nc1cccc(N)c1 Amb1116839 [0,1,0,0,1,0|2,0,0]=4 3312 B11R1.157 NC(=O)Nc1cccc(O)c1 Amb6600565 [0,1,0,0,1,0|2,0,0]=4 3313 B11R1.157 NC(=O)Oc1cccc(O)c1 Amb35726795 [0,1,0,0,1,0|2,0,0]=4 3314 B11R1.157 Nc1cc(CC(=O)O)ccn1 Amb30634265 [0,1,0,0,1,0|1,0,1]=4 3315 B11R1.157 Nc1cc(CC(=O)O)ccn1 Amb8386303 [0,1,0,0,1,0|1,0,1]=4 3316 B11R1.157 Nc1ccc[n+](CC(=O)O)c1 Amb26517390 [0,1,0,0,1,0|1,0,1]=4 3317 B11R1.157 Nc1cccc(C=C(F)F)c1 Amb32415017 [0,1,0,0,1,0|2,0,0]=4 3318 B11R1.157 Nc1cccc(CC(=O)O)c1 Amb19373490 [0,1,0,0,1,0|0,0,1]=3 3319 B11R1.157 Nc1cccc(CC(=O)O)c1 Amb3941543 [0,1,0,0,1,0|0,0,1]=3 3320 B11R1.157 Nc1cccc(CC(=O)O)n1 Amb22011865 [0,1,0,0,1,0|1,0,1]=4 3321 B11R1.157 Nc1cccc(OS(=O)O)c1 Amb27803976 [0,1,0,0,1,0|2,0,0]=4 3322 B11R1.157 Nc1cncc(CC(=O)O)c1 Amb28285372 [0,1,0,0,1,0|1,0,1]=4 3323 B11R1.157 O=C(Cl)Cc1cccc(Br)c1 Amb18284226 [0,1,0,0,1,0|1,0,1]=4 3324 B11R1.157 O=C(Cl)Cc1cccc(Cl)c1 Amb18286412 [0,1,0,0,1,0|1,0,1]=4 3325 B11R1.157 O=C(Cl)Cc1cccc(F)c1 Amb33528396 [0,1,0,0,1,0|1,0,1]=4 3326 B11R1.157 O=C(Cl)Cc1cccc(I)c1 Amb25322405 [0,1,0,0,1,0|1,0,1]=4 3327 B11R1.157 O=C(Cl)Cc1cccc(O)c1 Amb18177959 [0,1,0,0,1,0|1,0,1]=4 3328 B11R1.157 O=C(Cl)Nc1cccc(Br)c1 Amb35636933 [0,1,0,0,1,0|2,0,0]=4 3329 B11R1.157 O=C(Cl)Nc1cccc(F)c1 Amb35636942 [0,1,0,0,1,0|2,0,0]=4 3330 B11R1.157 O=C(Cl)Nc1cccc(I)c1 Amb35637087 [0,1,0,0,1,0|2,0,0]=4 3331 B11R1.157 O=C(Cl)Oc1cccc(Br)c1 Amb25863215 [0,1,0,0,1,0|2,0,0]=4 3332 B11R1.157 O=C(Cl)Oc1cccc(Cl)c1 Amb24455216 [0,1,0,0,1,0|2,0,0]=4 3333 B11R1.157 O=C(Cl)Oc1cccc(F)c1 Amb25049826 [0,1,0,0,1,0|2,0,0]=4 3334 B11R1.157 O=C(Cl)Oc1cccc(I)c1 Amb26631011 [0,1,0,0,1,0|2,0,0]=4 3335 B11R1.157 O=C(Cl)Sc1cccc(Br)c1 Amb2685404 [0,1,0,0,1,0|2,0,0]=4 3336 B11R1.157 O=C(Cl)Sc1cccc(F)c1 Amb2688334 [0,1,0,0,1,0|2,0,0]=4 3337 B11R1.157 O=C(O)CC1=CC(=O)NC=C1 Amb26396091 [0,1,0,0,1,0|1,0,1]=4 3338 B11R1.157 O=C(O)Cc1cc(Br)ccn1 Amb26443405 [0,1,0,0,1,0|1,0,1]=4 3339 B11R1.157 O=C(O)Cc1cccc(Br)c1 Amb1134647 [0,1,0,0,1,0|0,0,1]=3 3340 B11R1.157 O=C(O)Cc1cccc(Br)n1 Amb13883482 [0,1,0,0,1,0|1,0,1]=4 3341 B11R1.157 O=C(O)Cc1cccc(Cl)c1 Amb3939860 [0,1,0,0,1,0|0,0,1]=3 3342 B11R1.157 O=C(O)Cc1cccc(Cl)n1 Amb10976127 [0,1,0,0,1,0|1,0,1]=4 3343 B11R1.157 O=C(O)Cc1cccc(F)c1 Amb2688301 [0,1,0,0,1,0|0,0,1]=3 3344 B11R1.157 O=C(O)Cc1cccc(F)n1 Amb20247874 [0,1,0,0,1,0|1,0,1]=4 3345 B11R1.157 O=C(O)Cc1cccc(I)c1 Amb3792688 [0,1,0,0,1,0|0,0,1]=3 3346 B11R1.157 O=C(O)Cc1cccc(O)c1 Amb3940110 [0,1,0,0,1,0|0,0,1]=3 3347 B11R1.157 O=C(O)Cc1cccc(O)n1 Amb20247884 [0,1,0,0,1,0|1,0,1]=4 3348 B11R1.157 O=C(O)Cc1ccnc(Br)c1 Amb8386245 [0,1,0,0,1,0|1,0,1]=4 3349 B11R1.157 O=C(O)Cc1ccnc(Cl)c1 Amb6308598 [0,1,0,0,1,0|1,0,1]=4 3350 B11R1.157 O=C(O)Cc1ccnc(F)c1 Amb26478056 [0,1,0,0,1,0|1,0,1]=4 3351 B11R1.157 O=C(O)Cc1ccnc(O)c1 Amb33533757 [0,1,0,0,1,0|1,0,1]=4 3352 B11R1.157 O=C(O)Cc1cncc(Br)c1 Amb2732504 [0,1,0,0,1,0|1,0,1]=4 3353 B11R1.157 O=C(O)Cc1cncc(Cl)c1 Amb26845064 [0,1,0,0,1,0|1,0,1]=4 3354 B11R1.157 O=C(O)Cc1cncc(F)c1 Amb18285911 [0,1,0,0,1,0|1,0,1]=4 3355 B11R1.157 O=C(O)Cc1cncc(O)c1 Amb27781042 [0,1,0,0,1,0|1,0,1]=4 3356 B11R1.157 O=S(O)Cc1cccc(F)c1 Amb32753678 [0,1,0,0,1,0|1,0,1]=4 3357 B11R1.509 O=P(O)(O)Cc1ccccc1 Amb2684673 [0,1,0,0,1,0|1,0,1]=4 3358 B11R1.509 O=P(O)(O)Nc1ccccc1 Amb27248761 [0,1,0,0,1,0|2,0,0]=4 3359 B11R1.509 O=P(O)(O)Oc1ccccc1 Amb1148179 [0,1,0,0,1,0|2,0,0]=4 3360 B11R1.509 O=S(=O)(O)Cc1ccccc1 Amb2612267 [0,1,0,0,1,0|1,0,1]=4 3361 B11R1.509 O=S(=O)(O)Nc1ccccc1 Amb22490957 [0,1,0,0,1,0|2,0,0]=4 3362 B11R1.509 O=S(=O)(O)Oc1ccccc1 Amb33330388 [0,1,0,0,1,0|2,0,0]=4 3363 B11R1.25 CC(\C=C\c1ccco1)=N/O Amb32662875 [0,1,0,0,1,0|2,0,0]=4 3364 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [0,1,0,0,1,0|2,0,0]=4 3365 B11R1.25 COC(=N)\C=C\c1ccco1 Amb27201924 [0,1,0,0,1,0|2,0,0]=4 3366 B11R1.25 COC(=O)\C=C\c1ccco1 Amb26473604 [0,1,0,0,1,0|1,0,0]=3 3367 B11R1.25 COC(=O)\C=C\c1cccs1 Amb2724557 [0,1,0,0,1,0|1,0,0]=3 3368 B11R1.25 COC(=O)\C=C\c1cccs1 Amb33714728 [0,1,0,0,1,0|1,0,0]=3 3369 B11R1.25 COC(=O)\C=C\c1ccno1 Amb27782507 [0,1,0,0,1,0|2,0,0]=4 3370 B11R1.25 COC(=O)\C=C\c1ccns1 Amb30013692 [0,1,0,0,1,0|2,0,0]=4 3371 B11R1.25 COC(=O)\C=C\c1ccsc1 Amb8630327 [0,1,0,0,1,0|1,0,0]=3 3372 B11R1.25 COC(=O)\C=C\c1cncs1 Amb25909810 [0,1,0,0,1,0|2,0,0]=4 3373 B11R1.25 COC(=O)\C=C\c1cocn1 Amb25208802 [0,1,0,0,1,0|2,0,0]=4 3374 B11R1.25 COC(=O)\C=C\c1cscn1 Amb24409150 [0,1,0,0,1,0|2,0,0]=4 3375 B11R1.25 COC(=O)\C=C\c1ncco1 Amb27398431 [0,1,0,0,1,0|2,0,0]=4 3376 B11R1.25 COC(=O)\C=C\c1nccs1 Amb25758463 [0,1,0,0,1,0|2,0,0]=4 3377 B11R1.25 COC(=O)\C=C\n1ccnc1 Amb25976817 [0,1,0,0,1,0|2,0,0]=4 3378 B11R1.25 N#CC(=O)\C=C\c1ccco1 Amb26627118 [0,1,0,0,1,0|2,0,0]=4 3379 B11R1.25 N#CC(=O)\C=C\c1cccs1 Amb24372667 [0,1,0,0,1,0|2,0,0]=4 3380 B11R1.25 NNC(=O)\C=C\c1ccco1 Amb27211757 [0,1,0,0,1,0|2,0,0]=4 3381 B11R1.25 O=C(\C=C\c1ccco1)CCl Amb26476618 [0,1,0,0,1,0|2,0,0]=4 3382 B11R1.25 O=C(\C=C\c1cccs1)CCl Amb28347537 [0,1,0,0,1,0|2,0,0]=4 3383 B11R1.25 O=C(\C=C\c1cccs1)NO Amb27479337 [0,1,0,0,1,0|1,0,0]=3 3384 B11R1.25 O=C(\C=C\c1nccs1)NO Amb28078450 [0,1,0,0,1,0|2,0,0]=4 3385 B11R1.25 O=CC(=O)\C=C\c1ccco1 Amb26331989 [0,1,0,0,1,0|1,0,1]=4 3386 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,1,0,0,1,0|1,0,1]=4 3387 B11R1.35 CC(=O)\C(C)=C\c1ccco1 Amb33079023 [0,1,0,0,1,0|2,0,0]=4 3388 B11R1.35 CC(=O)\C(C)=C\c1ccoc1 Amb27985419 [0,1,0,0,1,0|2,0,0]=4 3389 B11R1.35 CC(=O)\C(C)=C\c1ccsc1 Amb24434611 [0,1,0,0,1,0|2,0,0]=4 3390 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,1,0,0,1,0|1,0,0]=3 3391 B11R1.35 C\C(=C/c1ccco1)C(N)=O Amb27231811 [0,1,0,0,1,0|2,0,0]=4 3392 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,1,0,0,1,0|1,0,0]=3 3393 B11R1.35 C\C(=C/c1ccns1)C(=O)O Amb30013782 [0,1,0,0,1,0|2,0,0]=4 3394 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,1,0,0,1,0|1,0,0]=3 3395 B11R1.35 C\C(=C/c1cncs1)C(=O)O Amb27803283 [0,1,0,0,1,0|2,0,0]=4 3396 B11R1.35 C\C(=C/c1cscn1)C(=O)O Amb27453159 [0,1,0,0,1,0|2,0,0]=4 3397 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,1,0,0,1,0|1,0,0]=3 3398 B11R1.35 C\C(=C\c1cccs1)C(=O)Cl Amb27952877 [0,1,0,0,1,0|2,0,0]=4 3399 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,1,0,0,1,0|1,0,0]=3 3400 B11R1.35 C\C(=C\c1nccs1)C(=O)O Amb27250230 [0,1,0,0,1,0|2,0,0]=4 3401 B11R1.35 N\C(=C/c1ccns1)C(=O)O Amb27883195 [0,1,0,0,1,0|2,0,0]=4 3402 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,1,0,0,1,0|2,0,0]=4 3403 B11R1.35 N\C(=C/c1cnsc1)C(=O)O Amb35715807 [0,1,0,0,1,0|2,0,0]=4 3404 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,1,0,0,1,0|1,0,0]=3 3405 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,1,0|1,0,1]=4 3406 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,1,0|1,0,1]=4 3407 B11R1.35 O=C(O)C(=O)Cc1ccoc1 Amb26072039 [0,1,0,0,1,0|1,0,1]=4 3408 B11R1.35 O=C(O)C(=O)Cc1ccsc1 Amb1133942 [0,1,0,0,1,0|1,0,1]=4 3409 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,1,0,0,1,0|2,0,0]=4 3410 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,1,0,0,1,0|2,0,0]=4 3411 B11R1.35 O=C(O)C(=S)Cc1ccco1 Amb4026925 [0,1,0,0,1,0|1,0,1]=4 3412 B11R1.35 O=C(O)C(=S)Cc1ccsc1 Amb27407692 [0,1,0,0,1,0|1,0,1]=4 3413 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,1,0,0,1,0|1,0,0]=3 3414 B11R1.35 O=C(O)\C(F)=C\c1ccns1 Amb30013797 [0,1,0,0,1,0|2,0,0]=4 3415 B11R1.75 CC(=O)\C=C\c1cc(Br)co1 Amb33431943 [0,1,0,0,1,0|2,0,0]=4 3416 B11R1.75 CC(=O)\C=C\c1cc(Br)cs1 Amb28322767 [0,1,0,0,1,0|2,0,0]=4 3417 B11R1.75 CC(=O)\C=C\c1cc(C)cs1 Amb33373479 [0,1,0,0,1,0|2,0,0]=4 3418 B11R1.75 CC(=O)\C=C\c1cc(Cl)cs1 Amb33220768 [0,1,0,0,1,0|2,0,0]=4 3419 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb33241034 [0,1,0,0,1,0|2,0,0]=4 3420 B11R1.75 CC(=O)\C=C\c1ccc(Br)s1 Amb33451169 [0,1,0,0,1,0|2,0,0]=4 3421 B11R1.75 CC(=O)\C=C\c1ccc(C)o1 Amb3484427 [0,1,0,0,1,0|2,0,0]=4 3422 B11R1.75 CC(=O)\C=C\c1ccc(C)s1 Amb33171945 [0,1,0,0,1,0|2,0,0]=4 3423 B11R1.75 CC(=O)\C=C\c1ccc(Cl)o1 Amb33052107 [0,1,0,0,1,0|2,0,0]=4 3424 B11R1.75 CC(=O)\C=C\c1ccc(Cl)s1 Amb33406786 [0,1,0,0,1,0|2,0,0]=4 3425 B11R1.75 CC(=O)\C=C\c1csc(Br)c1 Amb33451086 [0,1,0,0,1,0|2,0,0]=4 3426 B11R1.75 Cc1cc(\C=C\C(=O)O)co1 Amb25893070 [0,1,0,0,1,0|1,0,0]=3 3427 B11R1.75 Cc1cc(\C=C\C(=O)O)cs1 Amb25300336 [0,1,0,0,1,0|1,0,0]=3 3428 B11R1.75 Cc1cc(\C=C\C(=O)O)no1 Amb18125519 [0,1,0,0,1,0|2,0,0]=4 3429 B11R1.75 Cc1cc(\C=C\C(=O)O)on1 Amb33079891 [0,1,0,0,1,0|2,0,0]=4 3430 B11R1.75 Cc1cc(\C=C\C(=O)O)sn1 Amb25975414 [0,1,0,0,1,0|2,0,0]=4 3431 B11R1.75 Cc1ccc(\C=C\C(=O)Cl)o1 Amb16230249 [0,1,0,0,1,0|2,0,0]=4 3432 B11R1.75 Cc1ccc(\C=C\C(=O)O)o1 Amb34915176 [0,1,0,0,1,0|1,0,0]=3 3433 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb33714764 [0,1,0,0,1,0|1,0,0]=3 3434 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb425405 [0,1,0,0,1,0|1,0,0]=3 3435 B11R1.75 Cc1ccc(\C=C\C(N)=O)o1 Amb6514414 [0,1,0,0,1,0|2,0,0]=4 3436 B11R1.75 Cc1coc(\C=C\C(=O)O)c1 Amb25958503 [0,1,0,0,1,0|1,0,0]=3 3437 B11R1.75 Cc1coc(\C=C\C(=O)O)n1 Amb32941829 [0,1,0,0,1,0|2,0,0]=4 3438 B11R1.75 Cc1csc(\C=C\C(=O)O)c1 Amb33171868 [0,1,0,0,1,0|1,0,0]=3 3439 B11R1.75 Cc1csc(\C=C\C(=O)O)n1 Amb28458378 [0,1,0,0,1,0|2,0,0]=4 3440 B11R1.75 Cc1nc(\C=C\C(=O)O)co1 Amb27632440 [0,1,0,0,1,0|2,0,0]=4 3441 B11R1.75 Cc1nc(\C=C\C(=O)O)cs1 Amb501605 [0,1,0,0,1,0|2,0,0]=4 3442 B11R1.75 Cc1ncc(\C=C\C(=O)O)s1 Amb18255512 [0,1,0,0,1,0|2,0,0]=4 3443 B11R1.75 Cn1cc(\C=C\C(=O)O)cn1 Amb6462469 [0,1,0,0,1,0|2,0,0]=4 3444 B11R1.75 Cn1ccc(\C=C\C(=O)O)c1 Amb33473125 [0,1,0,0,1,0|1,0,0]=3 3445 B11R1.75 Cn1ccc(\C=C\C(=O)O)n1 Amb33249590 [0,1,0,0,1,0|2,0,0]=4 3446 B11R1.75 Cn1cnc(\C=C/C(=O)O)c1 Amb28066706 [0,1,0,0,1,0|2,0,0]=4 3447 B11R1.75 Cn1cnc(\C=C\C(=O)O)c1 Amb18125373 [0,1,0,0,1,0|2,0,0]=4 3448 B11R1.75 Cn1cnc(\C=C\C(=O)O)c1 Amb34914982 [0,1,0,0,1,0|2,0,0]=4 3449 B11R1.75 NC(=O)\C=C\c1cc(Br)cs1 Amb27255914 [0,1,0,0,1,0|2,0,0]=4 3450 B11R1.75 NC(=O)\C=C\c1ccc(Br)s1 Amb8997709 [0,1,0,0,1,0|2,0,0]=4 3451 B11R1.75 Nc1ncc(\C=C\C(=O)O)s1 Amb26505818 [0,1,0,0,1,0|2,0,0]=4 3452 B11R1.75 O=C(Cl)\C=C\c1ccc(Cl)s1 Amb25149043 [0,1,0,0,1,0|2,0,0]=4 3453 B11R1.75 O=C(O)\C=C/c1cc(Br)cs1 Amb10069468 [0,1,0,0,1,0|1,0,0]=3 3454 B11R1.75 O=C(O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,1,0,0,1,0|2,0,0]=4 3455 B11R1.75 O=C(O)\C=C\c1cc(Br)co1 Amb33451300 [0,1,0,0,1,0|1,0,0]=3 3456 B11R1.75 O=C(O)\C=C\c1cc(Br)cs1 Amb7764677 [0,1,0,0,1,0|1,0,0]=3 3457 B11R1.75 O=C(O)\C=C\c1cc(Cl)cs1 Amb33052706 [0,1,0,0,1,0|1,0,0]=3 3458 B11R1.75 O=C(O)\C=C\c1cc(Cl)no1 Amb18127135 [0,1,0,0,1,0|2,0,0]=4 3459 B11R1.75 O=C(O)\C=C\c1ccc(Br)o1 Amb1102780 [0,1,0,0,1,0|1,0,0]=3 3460 B11R1.75 O=C(O)\C=C\c1ccc(Br)s1 Amb30296 [0,1,0,0,1,0|1,0,0]=3 3461 B11R1.75 O=C(O)\C=C\c1ccc(Cl)o1 Amb1107531 [0,1,0,0,1,0|1,0,0]=3 3462 B11R1.75 O=C(O)\C=C\c1ccc(Cl)s1 Amb501590 [0,1,0,0,1,0|1,0,0]=3 3463 B11R1.75 O=C(O)\C=C\c1ccc(F)o1 Amb26070880 [0,1,0,0,1,0|1,0,0]=3 3464 B11R1.75 O=C(O)\C=C\c1ccc(I)o1 Amb33578339 [0,1,0,0,1,0|1,0,0]=3 3465 B11R1.75 O=C(O)\C=C\c1cnc(Br)s1 Amb27794323 [0,1,0,0,1,0|2,0,0]=4 3466 B11R1.75 O=C(O)\C=C\c1cnc(Cl)s1 Amb26845257 [0,1,0,0,1,0|2,0,0]=4 3467 B11R1.75 O=C(O)\C=C\c1coc(Br)c1 Amb33470081 [0,1,0,0,1,0|1,0,0]=3 3468 B11R1.75 O=C(O)\C=C\c1csc(Br)c1 Amb34185909 [0,1,0,0,1,0|1,0,0]=3 3469 B11R1.75 O=C(O)\C=C\c1csc(Br)n1 Amb28130054 [0,1,0,0,1,0|2,0,0]=4 3470 B11R1.75 O=C(O)\C=C\c1csc(Cl)c1 Amb33051987 [0,1,0,0,1,0|1,0,0]=3 3471 B11R1.75 O=C(O)\C=C\c1csc(I)c1 Amb33470063 [0,1,0,0,1,0|1,0,0]=3 3472 B11R1.75 O=C(O)\C=C\c1ncc(Cl)s1 Amb27207876 [0,1,0,0,1,0|2,0,0]=4 3473 B11R1.77 C=C(CC(=O)O)c1cccs1 Amb27607726 [0,1,0,0,1,0|1,0,1]=4 3474 B11R1.77 CC(=O)\C=C(/C)c1cccs1 Amb27227102 [0,1,0,0,1,0|2,0,0]=4 3475 B11R1.77 CC(=O)\C=C(/N)c1cccs1 Amb27823651 [0,1,0,0,1,0|2,0,0]=4 3476 B11R1.77 CC(=O)\C=C(\N)c1ccco1 Amb27251384 [0,1,0,0,1,0|2,0,0]=4 3477 B11R1.77 C\C(=C/C(=O)O)c1ccco1 Amb6749111 [0,1,0,0,1,0|1,0,0]=3 3478 B11R1.77 C\C(=C/C(=O)O)c1cccs1 Amb5738383 [0,1,0,0,1,0|1,0,0]=3 3479 B11R1.77 C\C(=C/C(=O)O)c1ccsc1 Amb32663912 [0,1,0,0,1,0|1,0,0]=3 3480 B11R1.77 C\C(=C\C(=O)O)c1ccco1 Amb24668653 [0,1,0,0,1,0|1,0,0]=3 3481 B11R1.77 C\C(=C\C(=O)O)c1ccoc1 Amb28050877 [0,1,0,0,1,0|1,0,0]=3 3482 B11R1.77 C\C(=C\C(=O)O)c1ccsc1 Amb18284471 [0,1,0,0,1,0|1,0,0]=3 3483 B11R1.77 NC(=O)\C=C(/O)c1ccco1 Amb27441744 [0,1,0,0,1,0|2,0,0]=4 3484 B11R1.77 NC(=O)\C=C(\O)c1cccs1 Amb27962881 [0,1,0,0,1,0|2,0,0]=4 3485 B11R1.77 NC(=O)\C=C(\O)c1ccoc1 Amb27202324 [0,1,0,0,1,0|2,0,0]=4 3486 B11R1.77 O=C(O)CC(=O)c1ccco1 Amb18125632 [0,1,0,0,1,0|1,0,1]=4 3487 B11R1.77 O=C(O)\C=C(\Cl)c1cccs1 Amb27985827 [0,1,0,0,1,0|1,0,0]=3 3488 B11R1.77 O=C(O)\C=C(\Cl)c1ccsc1 Amb27657300 [0,1,0,0,1,0|1,0,0]=3 3489 B11R1.90 CC(=O)\C=C\c1cccn1C Amb33079842 [0,1,0,0,1,0|2,0,0]=4 3490 B11R1.90 CC(=O)\C=C\c1ccoc1C Amb33445886 [0,1,0,0,1,0|2,0,0]=4 3491 B11R1.90 CC(=O)\C=C\c1cscc1C Amb33145217 [0,1,0,0,1,0|2,0,0]=4 3492 B11R1.90 CC(=O)\C=C\c1occc1C Amb33358518 [0,1,0,0,1,0|2,0,0]=4 3493 B11R1.90 CC(=O)\C=C\c1sccc1Br Amb27176258 [0,1,0,0,1,0|2,0,0]=4 3494 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,1,0,0,1,0|2,0,0]=4 3495 B11R1.90 CC(=O)\C=C\c1sccc1Cl Amb33259263 [0,1,0,0,1,0|2,0,0]=4 3496 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,1,0,0,1,0|1,0,0]=3 3497 B11R1.90 Cc1ccsc1\C=C/C(N)=O Amb27203317 [0,1,0,0,1,0|2,0,0]=4 3498 B11R1.90 Cc1ccsc1\C=C\C(=O)O Amb1153084 [0,1,0,0,1,0|1,0,0]=3 3499 B11R1.90 Cc1cnoc1\C=C\C(=O)O Amb28130063 [0,1,0,0,1,0|2,0,0]=4 3500 B11R1.90 Cc1cocc1\C=C\C(=O)O Amb24617450 [0,1,0,0,1,0|1,0,0]=3 3501 B11R1.90 Cc1conc1\C=C\C(=O)O Amb33470110 [0,1,0,0,1,0|2,0,0]=4 3502 B11R1.90 Cc1cscc1\C=C\C(=O)O Amb26421314 [0,1,0,0,1,0|1,0,0]=3 3503 B11R1.90 Cc1ncsc1\C=C\C(=O)O Amb33292464 [0,1,0,0,1,0|2,0,0]=4 3504 B11R1.90 Cc1occc1\C=C\C(=O)O Amb33171665 [0,1,0,0,1,0|1,0,0]=3 3505 B11R1.90 Cc1oncc1\C=C\C(=O)O Amb33361682 [0,1,0,0,1,0|2,0,0]=4 3506 B11R1.90 Cn1cccc1\C=C\C(=O)O Amb2371137 [0,1,0,0,1,0|1,0,0]=3 3507 B11R1.90 Cn1ccnc1\C=C/C(=O)O Amb27470158 [0,1,0,0,1,0|2,0,0]=4 3508 B11R1.90 Cn1ccnc1\C=C\C(=O)O Amb33171846 [0,1,0,0,1,0|2,0,0]=4 3509 B11R1.90 Cn1cncc1\C=C\C(=O)O Amb32663974 [0,1,0,0,1,0|2,0,0]=4 3510 B11R1.90 Cn1cncc1\C=C\C(=O)O Amb33276186 [0,1,0,0,1,0|2,0,0]=4 3511 B11R1.90 Cn1nccc1\C=C\C(=O)O Amb6889931 [0,1,0,0,1,0|2,0,0]=4 3512 B11R1.90 O=C(O)\C=C\c1ccoc1Br Amb33470062 [0,1,0,0,1,0|1,0,0]=3 3513 B11R1.90 O=C(O)\C=C\c1ccoc1Cl Amb33470060 [0,1,0,0,1,0|1,0,0]=3 3514 B11R1.90 O=C(O)\C=C\c1ccsc1Br Amb33470113 [0,1,0,0,1,0|1,0,0]=3 3515 B11R1.90 O=C(O)\C=C\c1cscc1Br Amb25075327 [0,1,0,0,1,0|1,0,0]=3 3516 B11R1.90 O=C(O)\C=C\c1cscc1Cl Amb25700973 [0,1,0,0,1,0|1,0,0]=3 3517 B11R1.90 O=C(O)\C=C\c1nccn1O Amb27751831 [0,1,0,0,1,0|2,0,0]=4 3518 B11R1.90 O=C(O)\C=C\c1ncsc1Br Amb33470114 [0,1,0,0,1,0|2,0,0]=4 3519 B11R1.90 O=C(O)\C=C\c1nscc1Br Amb33470111 [0,1,0,0,1,0|2,0,0]=4 3520 B11R1.90 O=C(O)\C=C\c1sccc1Br Amb26004966 [0,1,0,0,1,0|1,0,0]=3 3521 B11R1.90 O=C(O)\C=C\c1sccc1Cl Amb24100812 [0,1,0,0,1,0|1,0,0]=3 3522 B11R1.90 O=C(O)\C=C\c1sccc1F Amb33470058 [0,1,0,0,1,0|1,0,0]=3 3523 B11R1.90 O=C(O)\C=C\c1sccc1I Amb33470064 [0,1,0,0,1,0|1,0,0]=3 3524 B11R1.90 O=C(O)\C=C\c1sncc1Br Amb33470128 [0,1,0,0,1,0|2,0,0]=4 3525 B13R1.45 C=C(CNC(N)=O)c1ccccc1 Amb28061809 [0,1,0,0,0,1|1,0,1]=4 3526 B13R1.45 C=C(COC(C)=O)c1ccccc1 Amb17778927 [0,1,0,0,0,1|1,0,1]=4 3527 B13R1.45 CC(=C=CC(=O)O)c1ccccc1 Amb28137978 [0,1,0,0,0,1|0,0,0]=2 3528 B13R1.45 CC(=O)CCC(=O)c1ccccc1 Amb6357807 [0,1,0,0,0,1|1,0,1]=4 3529 B13R1.45 CC(=O)CNC(=O)c1ccccc1 Amb9836069 [0,1,0,0,0,1|1,0,1]=4 3530 B13R1.45 CC(=O)COC(=O)c1ccccc1 Amb22497327 [0,1,0,0,0,1|1,0,1]=4 3531 B13R1.45 CC(=O)C\C=C(/C)c1ccccc1 Amb27169026 [0,1,0,0,0,1|1,0,0]=3 3532 B13R1.45 CC(=O)NCC(=O)c1ccccc1 Amb17335159 [0,1,0,0,0,1|1,0,1]=4 3533 B13R1.45 CC(=O)N\N=C(/C)c1ccccc1 Amb1834900 [0,1,0,0,0,1|2,0,0]=4 3534 B13R1.45 CC(=O)N\N=C(\C)c1ccccc1 Amb8506418 [0,1,0,0,0,1|2,0,0]=4 3535 B13R1.45 CC(=O)OCC(=O)c1ccccc1 Amb4017907 [0,1,0,0,0,1|1,0,1]=4 3536 B13R1.45 CC(=O)O\C=C(/C)c1ccccc1 Amb17778975 [0,1,0,0,0,1|1,0,0]=3 3537 B13R1.45 CC(=O)O\C=C(\C)c1ccccc1 Amb25290986 [0,1,0,0,0,1|1,0,0]=3 3538 B13R1.45 CC(=O)\C=C/C(O)c1ccccc1 Amb27749808 [0,1,0,0,0,1|1,0,0]=3 3539 B13R1.45 CC(=O)\C=C\C(C)c1ccccc1 Amb24090253 [0,1,0,0,0,1|1,0,0]=3 3540 B13R1.45 CC(=O)\C=C\N(C)c1ccccc1 Amb26377318 [0,1,0,0,0,1|1,0,0]=3 3541 B13R1.45 CC(C)=C=CC(=O)c1ccccc1 Amb28197507 [0,1,0,0,0,1|2,0,0]=4 3542 B13R1.45 CC(C)=CNC(=S)c1ccccc1 Amb27794571 [0,1,0,0,0,1|2,0,0]=4 3543 B13R1.45 CC(CCC(=O)O)c1ccccc1 Amb857806 [0,1,0,0,0,1|0,0,2]=4 3544 B13R1.45 CC(NCC(=O)O)c1ccccc1 Amb7766412 [0,1,0,0,0,1|0,0,2]=4 3545 B13R1.45 CC(OCC(=O)O)c1ccccc1 Amb6269624 [0,1,0,0,0,1|0,0,2]=4 3546 B13R1.45 CC(\C=C\[N+](=O)[O-])c1ccccc1 Amb33082411 [0,1,0,0,0,1|1,0,1]=4 3547 B13R1.45 CN(CCC(=O)O)c1ccccc1 Amb33551397 [0,1,0,0,0,1|0,0,2]=4 3548 B13R1.45 CN(CCC(=O)O)c1ccccc1 Amb845407 [0,1,0,0,0,1|0,0,2]=4 3549 B13R1.45 CN(\N=C\C(=O)O)c1ccccc1 Amb27983644 [0,1,0,0,0,1|1,0,0]=3 3550 B13R1.45 C[C@@H](NCC(=O)O)c1ccccc1 Amb17935709 [0,1,0,0,0,1|0,0,2]=4 3551 B13R1.45 C[C@@H](O)\C=C\[C@@H](C)c1ccccc1 Amb27662285 [0,1,0,0,0,1|1,0,1]=4 3552 B13R1.45 C[C@@H](OCC(=O)O)c1ccccc1 Amb32946281 [0,1,0,0,0,1|0,0,2]=4 3553 B13R1.45 C[C@@H](\N=C\C(=O)O)c1ccccc1 Amb28288291 [0,1,0,0,0,1|0,0,1]=3 3554 B13R1.45 C[C@H](NCC(=O)O)c1ccccc1 Amb17935708 [0,1,0,0,0,1|0,0,2]=4 3555 B13R1.45 C[C@H](O)\C=C\C(=O)c1ccccc1 Amb27409583 [0,1,0,0,0,1|1,0,1]=4 3556 B13R1.45 C[C@H](O)\C=C\[C@@H](C)c1ccccc1 Amb27790379 [0,1,0,0,0,1|1,0,1]=4 3557 B13R1.45 C[C@H](O)\C=C\[C@H](O)c1ccccc1 Amb27443560 [0,1,0,0,0,1|1,0,1]=4 3558 B13R1.45 C[C@H](OCC(=O)O)c1ccccc1 Amb32946283 [0,1,0,0,0,1|0,0,2]=4 3559 B13R1.45 C\C(=C/CC(=O)O)c1ccccc1 Amb25189805 [0,1,0,0,0,1|0,0,0]=2 3560 B13R1.45 C\C(=C/CC(=O)O)c1ccccn1 Amb31174816 [0,1,0,0,0,1|1,0,0]=3 3561 B13R1.45 C\C(=C/CC(=O)O)c1cccnc1 Amb24373182 [0,1,0,0,0,1|1,0,0]=3 3562 B13R1.45 C\C(=C/CC(=O)O)c1ccncc1 Amb31174817 [0,1,0,0,0,1|1,0,0]=3 3563 B13R1.45 C\C(=C\CB(O)O)c1ccccc1 Amb27604416 [0,1,0,0,0,1|1,0,1]=4 3564 B13R1.45 C\C(=C\CC(=O)O)c1ccccn1 Amb28042540 [0,1,0,0,0,1|1,0,0]=3 3565 B13R1.45 C\C(=C\CC(=O)O)c1cccnc1 Amb27185917 [0,1,0,0,0,1|1,0,0]=3 3566 B13R1.45 C\C(=C\CC(=O)O)c1ccncc1 Amb28316672 [0,1,0,0,0,1|1,0,0]=3 3567 B13R1.45 C\C(=N/NC(N)=O)c1ccccc1 Amb6739808 [0,1,0,0,0,1|2,0,0]=4 3568 B13R1.45 C\C(=N/OC(N)=O)c1ccccc1 Amb28252217 [0,1,0,0,0,1|2,0,0]=4 3569 B13R1.45 C\C(=N\NC(N)=O)c1ccccc1 Amb9768647 [0,1,0,0,0,1|2,0,0]=4 3570 B13R1.45 N=C(NCC(=O)O)c1ccccc1 Amb3427923 [0,1,0,0,0,1|0,0,1]=3 3571 B13R1.45 N=C(NOC(N)=O)c1ccccc1 Amb28129268 [0,1,0,0,0,1|2,0,0]=4 3572 B13R1.45 NC(=O)CCC(=O)c1ccccc1 Amb17233256 [0,1,0,0,0,1|1,0,1]=4 3573 B13R1.45 NC(=O)CNC(=O)c1ccccc1 Amb2761003 [0,1,0,0,0,1|1,0,1]=4 3574 B13R1.45 NC(=O)NNC(=O)c1ccccc1 Amb2786158 [0,1,0,0,0,1|2,0,0]=4 3575 B13R1.45 NC(CCC(=O)O)c1ccccc1 Amb19514853 [0,1,0,0,0,1|0,0,2]=4 3576 B13R1.45 NC(CCC(=O)O)c1ccccc1 Amb9781823 [0,1,0,0,0,1|0,0,2]=4 3577 B13R1.45 N[C@@H](CCC(=O)O)c1ccccc1 Amb22745911 [0,1,0,0,0,1|0,0,2]=4 3578 B13R1.45 N[C@H](CCC(=O)O)c1ccccc1 Amb33801866 [0,1,0,0,0,1|0,0,2]=4 3579 B13R1.45 O=C(Cl)COC(=O)c1ccccc1 Amb32643994 [0,1,0,0,0,1|1,0,1]=4 3580 B13R1.45 O=C(Cl)OCC(=O)c1ccccc1 Amb33297274 [0,1,0,0,0,1|1,0,1]=4 3581 B13R1.45 O=C(F)CNC(=O)c1ccccc1 Amb27815208 [0,1,0,0,0,1|1,0,1]=4 3582 B13R1.45 O=C(NC=C(Cl)Cl)c1ccccc1 Amb2591548 [0,1,0,0,0,1|2,0,0]=4 3583 B13R1.45 O=C(NCS(=O)O)c1ccccc1 Amb27631286 [0,1,0,0,0,1|1,0,1]=4 3584 B13R1.45 O=C(O)CCC(=O)c1ccccc1 Amb1224638 [0,1,0,0,0,1|0,0,1]=3 3585 B13R1.45 O=C(O)CCC(=O)c1ccccn1 Amb2689987 [0,1,0,0,0,1|1,0,1]=4 3586 B13R1.45 O=C(O)CCC(=O)c1ccccn1 Amb33038255 [0,1,0,0,0,1|1,0,1]=4 3587 B13R1.45 O=C(O)CCC(=O)c1cccnc1 Amb1091971 [0,1,0,0,0,1|1,0,1]=4 3588 B13R1.45 O=C(O)CCC(=O)c1ccncc1 Amb33330476 [0,1,0,0,0,1|1,0,1]=4 3589 B13R1.45 O=C(O)CCC(=O)c1ccncc1 Amb6305252 [0,1,0,0,0,1|1,0,1]=4 3590 B13R1.45 O=C(O)CCC(O)c1ccccc1 Amb2721927 [0,1,0,0,0,1|0,0,2]=4 3591 B13R1.45 O=C(O)CNC(=O)c1ccccc1 Amb1006961 [0,1,0,0,0,1|0,0,1]=3 3592 B13R1.45 O=C(O)CNC(=O)c1ccccn1 Amb1119841 [0,1,0,0,0,1|1,0,1]=4 3593 B13R1.45 O=C(O)CNC(=O)c1cccnc1 Amb1119840 [0,1,0,0,0,1|1,0,1]=4 3594 B13R1.45 O=C(O)CNC(=O)c1ccncc1 Amb33526758 [0,1,0,0,0,1|1,0,1]=4 3595 B13R1.45 O=C(O)CNC(=S)c1ccccc1 Amb24309476 [0,1,0,0,0,1|0,0,1]=3 3596 B13R1.45 O=C(O)COC(=O)c1ccccc1 Amb17594607 [0,1,0,0,0,1|0,0,1]=3 3597 B13R1.45 O=C(O)COC(=O)c1cccnc1 Amb1966283 [0,1,0,0,0,1|1,0,1]=4 3598 B13R1.45 O=C(O)CSC(=O)c1ccccn1 Amb10573365 [0,1,0,0,0,1|1,0,1]=4 3599 B13R1.45 O=C(O)CSC(=S)c1ccccc1 Amb2762718 [0,1,0,0,0,1|0,0,1]=3 3600 B13R1.45 O=C(O)\C=C/C(=O)c1ccccc1 Amb1016615 [0,1,0,0,0,1|0,0,0]=2 3601 B13R1.45 O=C(O)\C=C/S(=O)c1ccccc1 Amb18130270 [0,1,0,0,0,1|0,0,0]=2 3602 B13R1.45 O=C(O)\C=C\C(=O)c1ccccc1 Amb8516499 [0,1,0,0,0,1|0,0,0]=2 3603 B13R1.45 O=C(O)\C=C\C(=O)c1ccccn1 Amb26055218 [0,1,0,0,0,1|1,0,0]=3 3604 B13R1.45 O=C(O)\C=C\C(=O)c1ccncc1 Amb28430826 [0,1,0,0,0,1|1,0,0]=3 3605 B13R1.45 O=C(O)\C=C\C(=O)c1ccncn1 Amb35596100 [0,1,0,0,0,1|2,0,0]=4 3606 B13R1.45 O=C(O)\C=C\C(=O)c1cnccn1 Amb29873250 [0,1,0,0,0,1|2,0,0]=4 3607 B13R1.45 S=C(NC=C(Cl)Cl)c1ccccc1 Amb3905291 [0,1,0,0,0,1|2,0,0]=4 3608 B13R1.149 CC(=O)C\C=C\c1cccc(Br)c1 Amb26905228 [0,1,0,0,0,1|1,0,0]=3 3609 B13R1.149 CC(=O)N\N=C\c1cccc(C)c1 Amb3354716 [0,1,0,0,0,1|2,0,0]=4 3610 B13R1.149 CC(=O)N\N=C\c1cccc(Cl)c1 Amb6556710 [0,1,0,0,0,1|2,0,0]=4 3611 B13R1.149 CC(=O)N\N=C\c1cccc(F)c1 Amb3364992 [0,1,0,0,0,1|2,0,0]=4 3612 B13R1.149 CC(=O)\C=C\Nc1cccc(Cl)c1 Amb28208499 [0,1,0,0,0,1|1,0,0]=3 3613 B13R1.149 CC(C)=C\C=C/c1cccc(Cl)c1 Amb22546762 [0,1,0,0,0,1|2,0,0]=4 3614 B13R1.149 Cc1cccc(C#CCC(=O)O)c1 Amb24494657 [0,1,0,0,0,1|0,0,2]=4 3615 B13R1.149 Cc1cccc(CCCC(=O)O)c1 Amb3932920 [0,1,0,0,0,1|0,0,2]=4 3616 B13R1.149 Cc1cccc(CNCC(=O)O)c1 Amb1110883 [0,1,0,0,0,1|0,0,2]=4 3617 B13R1.149 Cc1cccc(CNCC(=O)O)c1 Amb19341149 [0,1,0,0,0,1|0,0,2]=4 3618 B13R1.149 Cc1cccc(COCC(=O)O)c1 Amb17470624 [0,1,0,0,0,1|0,0,2]=4 3619 B13R1.149 Cc1cccc(CSCC(=O)O)c1 Amb6718310 [0,1,0,0,0,1|0,0,2]=4 3620 B13R1.149 Cc1cccc(C\C=C\C(=O)O)c1 Amb27407070 [0,1,0,0,0,1|0,0,0]=2 3621 B13R1.149 Cc1cccc(NCCC(=O)O)c1 Amb2209157 [0,1,0,0,0,1|0,0,2]=4 3622 B13R1.149 Cc1cccc(OCCC(=O)O)c1 Amb1102786 [0,1,0,0,0,1|0,0,2]=4 3623 B13R1.149 Cc1cccc(O\C=C/C(=O)O)c1 Amb27392327 [0,1,0,0,0,1|0,0,0]=2 3624 B13R1.149 Cc1cccc(S\C=C\C(=O)O)c1 Amb27415977 [0,1,0,0,0,1|0,0,0]=2 3625 B13R1.149 Cc1cccc(\C=C\CC(=O)O)c1 Amb28119838 [0,1,0,0,0,1|0,0,0]=2 3626 B13R1.149 Cc1cccc(\C=N\NC(N)=O)c1 Amb997960 [0,1,0,0,0,1|2,0,0]=4 3627 B13R1.149 NC(=O)N\N=C/c1cccc(I)c1 Amb30866971 [0,1,0,0,0,1|2,0,0]=4 3628 B13R1.149 NC(=O)N\N=C\c1cccc(Br)c1 Amb1209394 [0,1,0,0,0,1|2,0,0]=4 3629 B13R1.149 NC(=O)N\N=C\c1cccc(Cl)c1 Amb27661612 [0,1,0,0,0,1|2,0,0]=4 3630 B13R1.149 Nc1cccc(C#CCC(=O)O)c1 Amb25330991 [0,1,0,0,0,1|0,0,2]=4 3631 B13R1.149 Nc1cccc(CCCC(=O)O)c1 Amb10603728 [0,1,0,0,0,1|0,0,2]=4 3632 B13R1.149 Nc1cccc(CCCC(=O)O)c1 Amb17335328 [0,1,0,0,0,1|0,0,2]=4 3633 B13R1.149 Nc1cccc(SCCC(=O)O)c1 Amb19662090 [0,1,0,0,0,1|0,0,2]=4 3634 B13R1.149 O=C(O)C#CCc1cccc(Br)c1 Amb27812566 [0,1,0,0,0,1|0,0,2]=4 3635 B13R1.149 O=C(O)C#CCc1cccc(Cl)c1 Amb27480229 [0,1,0,0,0,1|0,0,2]=4 3636 B13R1.149 O=C(O)CC#Cc1cccc(Br)c1 Amb26932151 [0,1,0,0,0,1|0,0,2]=4 3637 B13R1.149 O=C(O)CC#Cc1cccc(Cl)c1 Amb26978437 [0,1,0,0,0,1|0,0,2]=4 3638 B13R1.149 O=C(O)CC#Cc1cccc(F)c1 Amb26981997 [0,1,0,0,0,1|0,0,2]=4 3639 B13R1.149 O=C(O)CC#Cc1cccc(I)c1 Amb26507236 [0,1,0,0,0,1|0,0,2]=4 3640 B13R1.149 O=C(O)CC#Cc1cccc(O)c1 Amb27172177 [0,1,0,0,0,1|0,0,2]=4 3641 B13R1.149 O=C(O)CCCc1cccc(Br)c1 Amb3932918 [0,1,0,0,0,1|0,0,2]=4 3642 B13R1.149 O=C(O)CCCc1cccc(Cl)c1 Amb3932874 [0,1,0,0,0,1|0,0,2]=4 3643 B13R1.149 O=C(O)CCCc1cccc(F)c1 Amb3932921 [0,1,0,0,0,1|0,0,2]=4 3644 B13R1.149 O=C(O)CCCc1cccc(O)c1 Amb22490497 [0,1,0,0,0,1|0,0,2]=4 3645 B13R1.149 O=C(O)CCNc1cccc(Br)c1 Amb7766525 [0,1,0,0,0,1|0,0,2]=4 3646 B13R1.149 O=C(O)CCNc1cccc(Cl)c1 Amb2209166 [0,1,0,0,0,1|0,0,2]=4 3647 B13R1.149 O=C(O)CCNc1cccc(F)c1 Amb2209162 [0,1,0,0,0,1|0,0,2]=4 3648 B13R1.149 O=C(O)CCNc1cccc(I)c1 Amb7785453 [0,1,0,0,0,1|0,0,2]=4 3649 B13R1.149 O=C(O)CCNc1cccc(O)c1 Amb4422097 [0,1,0,0,0,1|0,0,2]=4 3650 B13R1.149 O=C(O)CCOc1cccc(Br)c1 Amb15755 [0,1,0,0,0,1|0,0,2]=4 3651 B13R1.149 O=C(O)CCOc1cccc(Cl)c1 Amb1116710 [0,1,0,0,0,1|0,0,2]=4 3652 B13R1.149 O=C(O)CCOc1cccc(I)c1 Amb8838599 [0,1,0,0,0,1|0,0,2]=4 3653 B13R1.149 O=C(O)CCOc1cccc(O)c1 Amb18192782 [0,1,0,0,0,1|0,0,2]=4 3654 B13R1.149 O=C(O)CCSc1cccc(Cl)c1 Amb5775182 [0,1,0,0,0,1|0,0,2]=4 3655 B13R1.149 O=C(O)CNCc1cccc(Br)c1 Amb1111229 [0,1,0,0,0,1|0,0,2]=4 3656 B13R1.149 O=C(O)CNCc1cccc(Cl)c1 Amb17598410 [0,1,0,0,0,1|0,0,2]=4 3657 B13R1.149 O=C(O)CNCc1cccc(Cl)c1 Amb8827651 [0,1,0,0,0,1|0,0,2]=4 3658 B13R1.149 O=C(O)CNCc1cccc(F)c1 Amb10609867 [0,1,0,0,0,1|0,0,2]=4 3659 B13R1.149 O=C(O)CNCc1cccc(F)c1 Amb2372412 [0,1,0,0,0,1|0,0,2]=4 3660 B13R1.149 O=C(O)COCc1cccc(Br)c1 Amb17472946 [0,1,0,0,0,1|0,0,2]=4 3661 B13R1.149 O=C(O)COCc1cccc(Cl)c1 Amb17470999 [0,1,0,0,0,1|0,0,2]=4 3662 B13R1.149 O=C(O)COCc1cccc(F)c1 Amb32409782 [0,1,0,0,0,1|0,0,2]=4 3663 B13R1.149 O=C(O)COCc1cccc(I)c1 Amb32661302 [0,1,0,0,0,1|0,0,2]=4 3664 B13R1.149 O=C(O)CSCc1cccc(Br)c1 Amb6372198 [0,1,0,0,0,1|0,0,2]=4 3665 B13R1.149 O=C(O)CSCc1cccc(Cl)c1 Amb1546534 [0,1,0,0,0,1|0,0,2]=4 3666 B13R1.149 O=C(O)CSCc1cccc(F)c1 Amb1137816 [0,1,0,0,0,1|0,0,2]=4 3667 B13R1.149 O=C(O)C\C=C\c1cccc(Br)c1 Amb23441782 [0,1,0,0,0,1|0,0,0]=2 3668 B13R1.149 O=C(O)C\C=C\c1cccc(F)c1 Amb23441778 [0,1,0,0,0,1|0,0,0]=2 3669 B13R1.149 O=C(O)C\N=C\c1cccc(O)c1 Amb27877242 [0,1,0,0,0,1|0,0,1]=3 3670 B13R1.149 O=C(O)\C=C\Cc1cccc(Cl)c1 Amb27232777 [0,1,0,0,0,1|0,0,0]=2 3671 B13R1.149 O=C(O)\C=C\Cc1cccc(F)c1 Amb27955207 [0,1,0,0,0,1|0,0,0]=2 3672 B13R1.149 O=C(O)\C=C\Nc1cccc(Br)c1 Amb27841908 [0,1,0,0,0,1|0,0,0]=2 3673 B13R1.149 O=C(O)\C=C\Nc1cccc(Cl)c1 Amb27610325 [0,1,0,0,0,1|0,0,0]=2 3674 B13R1.149 O=C(O)\C=C\Nc1cncc(Br)c1 Amb27465635 [0,1,0,0,0,1|1,0,0]=3 3675 B13R1.149 O=C(O)\C=C\Nc1cncc(Cl)c1 Amb29865004 [0,1,0,0,0,1|1,0,0]=3 3676 B13R1.149 O=C(O)\C=C\Sc1cccc(Cl)c1 Amb27784243 [0,1,0,0,0,1|0,0,0]=2 3677 B13R1.158 CC(=O)C\C=C\c1ccccc1F Amb25693688 [0,1,0,0,0,1|1,0,0]=3 3678 B13R1.158 CC(=O)C\C=C\c1ccccc1O Amb25058690 [0,1,0,0,0,1|1,0,0]=3 3679 B13R1.158 CC(=O)N\C=C/c1ccccc1O Amb28430343 [0,1,0,0,0,1|1,0,0]=3 3680 B13R1.158 CC(=O)N\C=C\c1ccccc1Cl Amb25328901 [0,1,0,0,0,1|1,0,0]=3 3681 B13R1.158 CC(=O)N\C=C\c1ccccc1F Amb26033608 [0,1,0,0,0,1|1,0,0]=3 3682 B13R1.158 CC(=O)N\N=C\c1ccccc1Br Amb4355273 [0,1,0,0,0,1|2,0,0]=4 3683 B13R1.158 CC(=O)N\N=C\c1ccccc1C Amb17798513 [0,1,0,0,0,1|2,0,0]=4 3684 B13R1.158 CC(=O)N\N=C\c1ccccc1F Amb1014386 [0,1,0,0,0,1|2,0,0]=4 3685 B13R1.158 CC(=O)N\N=C\c1ccccc1O Amb3360655 [0,1,0,0,0,1|2,0,0]=4 3686 B13R1.158 CC(=O)\C=C/Nc1ccccc1N Amb27402608 [0,1,0,0,0,1|1,0,0]=3 3687 B13R1.158 CC(=O)\C=C\Cc1ccccc1N Amb27832813 [0,1,0,0,0,1|1,0,0]=3 3688 B13R1.158 CC(=O)\C=C\Nc1ccccc1N Amb27185977 [0,1,0,0,0,1|1,0,0]=3 3689 B13R1.158 CC(=O)\C=C\Nc1ccccc1O Amb27471697 [0,1,0,0,0,1|1,0,0]=3 3690 B13R1.158 CC(=O)\C=N\Nc1ccccc1C Amb26923877 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.158 CC(C)=C\C=C/c1ccccc1Br Amb22546598 [0,1,0,0,0,1|2,0,0]=4 3692 B13R1.158 CC(C)=C\C=C/c1ccccc1C Amb22546595 [0,1,0,0,0,1|2,0,0]=4 3693 B13R1.158 CC(C)=C\C=C/c1ccccc1Cl Amb22546615 [0,1,0,0,0,1|2,0,0]=4 3694 B13R1.158 CC(C)=C\C=C/c1ccccc1F Amb22546763 [0,1,0,0,0,1|2,0,0]=4 3695 B13R1.158 CN(O)\C=C\C=C1/C=CC=CC1=O Amb27854617 [0,1,0,0,0,1|2,0,0]=4 3696 B13R1.158 Cc1ccccc1C#CCC(=O)O Amb24659626 [0,1,0,0,0,1|0,0,2]=4 3697 B13R1.158 Cc1ccccc1CCCC(=O)O Amb3932873 [0,1,0,0,0,1|0,0,2]=4 3698 B13R1.158 Cc1ccccc1CNCC(=O)O Amb10609879 [0,1,0,0,0,1|0,0,2]=4 3699 B13R1.158 Cc1ccccc1CNCC(=O)O Amb2372498 [0,1,0,0,0,1|0,0,2]=4 3700 B13R1.158 Cc1ccccc1COCC(=O)O Amb17470623 [0,1,0,0,0,1|0,0,2]=4 3701 B13R1.158 Cc1ccccc1CSCC(=O)O Amb1125979 [0,1,0,0,0,1|0,0,2]=4 3702 B13R1.158 Cc1ccccc1NCCC(=O)O Amb382805 [0,1,0,0,0,1|0,0,2]=4 3703 B13R1.158 Cc1ccccc1OCCC(=O)O Amb1102807 [0,1,0,0,0,1|0,0,2]=4 3704 B13R1.158 Cc1ccccc1S\C=C\C(=O)O Amb17595110 [0,1,0,0,0,1|0,0,0]=2 3705 B13R1.158 Cc1ccccc1\C=C\CC(=O)O Amb25362135 [0,1,0,0,0,1|0,0,0]=2 3706 B13R1.158 Cc1cccnc1N\C=C\C(=O)O Amb2525893 [0,1,0,0,0,1|1,0,0]=3 3707 B13R1.158 Cc1cccnc1S\C=C\C(=O)O Amb29879816 [0,1,0,0,0,1|1,0,0]=3 3708 B13R1.158 NC(=O)N\N=C/c1ccccc1I Amb30622508 [0,1,0,0,0,1|2,0,0]=4 3709 B13R1.158 NC(=O)N\N=C\c1ccccc1Cl Amb2756830 [0,1,0,0,0,1|2,0,0]=4 3710 B13R1.158 NC(=O)N\N=C\c1ccccc1F Amb1006162 [0,1,0,0,0,1|2,0,0]=4 3711 B13R1.158 NC(=O)N\N=C\c1ccccc1O Amb2370509 [0,1,0,0,0,1|2,0,0]=4 3712 B13R1.158 NC(=O)O\N=C\c1ccccc1O Amb25724987 [0,1,0,0,0,1|2,0,0]=4 3713 B13R1.158 Nc1ccccc1C#CCC(=O)O Amb28253025 [0,1,0,0,0,1|0,0,2]=4 3714 B13R1.158 Nc1ccccc1CCCC(=O)O Amb2697307 [0,1,0,0,0,1|0,0,2]=4 3715 B13R1.158 Nc1ccccc1CCCC(=O)O Amb32789702 [0,1,0,0,0,1|0,0,2]=4 3716 B13R1.158 Nc1ccccc1OCCC(=O)O Amb22728037 [0,1,0,0,0,1|0,0,2]=4 3717 B13R1.158 Nc1ccccc1S\C=C\C(=O)O Amb28061398 [0,1,0,0,0,1|0,0,0]=2 3718 B13R1.158 Nc1cccnc1S\C=C\C(=O)O Amb27946117 [0,1,0,0,0,1|1,0,0]=3 3719 B13R1.158 O=C(O)C#CCc1ccccc1Br Amb29860818 [0,1,0,0,0,1|0,0,2]=4 3720 B13R1.158 O=C(O)C#CCc1ccccc1F Amb27799632 [0,1,0,0,0,1|0,0,2]=4 3721 B13R1.158 O=C(O)C=C=Cc1ccccc1Cl Amb27845403 [0,1,0,0,0,1|0,0,0]=2 3722 B13R1.158 O=C(O)CC#Cc1ccccc1Br Amb25775933 [0,1,0,0,0,1|0,0,2]=4 3723 B13R1.158 O=C(O)CC#Cc1ccccc1Cl Amb24686712 [0,1,0,0,0,1|0,0,2]=4 3724 B13R1.158 O=C(O)CC#Cc1ccccc1F Amb25953926 [0,1,0,0,0,1|0,0,2]=4 3725 B13R1.158 O=C(O)CC#Cc1ccccc1O Amb25352437 [0,1,0,0,0,1|0,0,2]=4 3726 B13R1.158 O=C(O)CCCc1ccccc1Br Amb33545182 [0,1,0,0,0,1|0,0,2]=4 3727 B13R1.158 O=C(O)CCCc1ccccc1Cl Amb3932916 [0,1,0,0,0,1|0,0,2]=4 3728 B13R1.158 O=C(O)CCCc1ccccc1F Amb3932910 [0,1,0,0,0,1|0,0,2]=4 3729 B13R1.158 O=C(O)CCCc1ccccc1O Amb4009785 [0,1,0,0,0,1|0,0,2]=4 3730 B13R1.158 O=C(O)CCNc1ccccc1Br Amb7766524 [0,1,0,0,0,1|0,0,2]=4 3731 B13R1.158 O=C(O)CCNc1ccccc1Cl Amb2209165 [0,1,0,0,0,1|0,0,2]=4 3732 B13R1.158 O=C(O)CCNc1ccccc1F Amb2209161 [0,1,0,0,0,1|0,0,2]=4 3733 B13R1.158 O=C(O)CCOc1ccccc1Br Amb1117859 [0,1,0,0,0,1|0,0,2]=4 3734 B13R1.158 O=C(O)CCOc1ccccc1Cl Amb1112357 [0,1,0,0,0,1|0,0,2]=4 3735 B13R1.158 O=C(O)CCOc1ccccc1F Amb1102819 [0,1,0,0,0,1|0,0,2]=4 3736 B13R1.158 O=C(O)CCOc1ccccc1I Amb9339536 [0,1,0,0,0,1|0,0,2]=4 3737 B13R1.158 O=C(O)CCSc1ccccc1Br Amb1113939 [0,1,0,0,0,1|0,0,2]=4 3738 B13R1.158 O=C(O)CCSc1ccccc1Cl Amb1102789 [0,1,0,0,0,1|0,0,2]=4 3739 B13R1.158 O=C(O)CCSc1ccccc1F Amb56946 [0,1,0,0,0,1|0,0,2]=4 3740 B13R1.158 O=C(O)CNCc1ccccc1Br Amb1111282 [0,1,0,0,0,1|0,0,2]=4 3741 B13R1.158 O=C(O)CNCc1ccccc1Cl Amb7766478 [0,1,0,0,0,1|0,0,2]=4 3742 B13R1.158 O=C(O)CNCc1ccccc1F Amb7761999 [0,1,0,0,0,1|0,0,2]=4 3743 B13R1.158 O=C(O)CNCc1ccccc1I Amb21861671 [0,1,0,0,0,1|0,0,2]=4 3744 B13R1.158 O=C(O)CN\C=C1\C=CN=CC1=O Amb27607711 [0,1,0,0,0,1|1,0,1]=4 3745 B13R1.158 O=C(O)COCc1ccccc1Br Amb32669719 [0,1,0,0,0,1|0,0,2]=4 3746 B13R1.158 O=C(O)COCc1ccccc1Cl Amb6266832 [0,1,0,0,0,1|0,0,2]=4 3747 B13R1.158 O=C(O)COCc1ccccc1F Amb17470662 [0,1,0,0,0,1|0,0,2]=4 3748 B13R1.158 O=C(O)COCc1ccccc1I Amb32669720 [0,1,0,0,0,1|0,0,2]=4 3749 B13R1.158 O=C(O)CSCc1ccccc1Br Amb2372136 [0,1,0,0,0,1|0,0,2]=4 3750 B13R1.158 O=C(O)CSCc1ccccc1Cl Amb1551137 [0,1,0,0,0,1|0,0,2]=4 3751 B13R1.158 O=C(O)CSCc1ccccc1F Amb844941 [0,1,0,0,0,1|0,0,2]=4 3752 B13R1.158 O=C(O)CSCc1ccccc1I Amb24089653 [0,1,0,0,0,1|0,0,2]=4 3753 B13R1.158 O=C(O)C\C=C\c1ccccc1F Amb20622523 [0,1,0,0,0,1|0,0,0]=2 3754 B13R1.158 O=C(O)C\N=C\c1ccccc1O Amb26481398 [0,1,0,0,0,1|0,0,1]=3 3755 B13R1.158 O=C(O)C\N=C\c1ccncc1O Amb27858874 [0,1,0,0,0,1|1,0,1]=4 3756 B13R1.158 O=C(O)\C=C\CN1C=NC=CC1=O Amb27827480 [0,1,0,0,0,1|2,0,0]=4 3757 B13R1.158 O=C(O)\C=C\Oc1ccccc1Cl Amb26655854 [0,1,0,0,0,1|0,0,0]=2 3758 B13R1.158 O=C(O)\C=C\Sc1ccccc1Br Amb27960991 [0,1,0,0,0,1|0,0,0]=2 3759 B13R1.158 O=C(O)\C=C\Sc1ccccc1Cl Amb27247837 [0,1,0,0,0,1|0,0,0]=2 3760 B13R1.158 O=C(O)\C=N\Nc1ccccc1Cl Amb27401936 [0,1,0,0,0,1|1,0,0]=3 3761 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 Amb15692856 [0,1,0,0,0,1|1,0,1]=4 3762 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 Amb1210069 [0,1,0,0,0,1|1,0,1]=4 3763 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 Amb22586480 [0,1,0,0,0,1|1,0,1]=4 3764 B13R1.348 CC(=O)CC(=S)Nc1ccccc1 Amb25190045 [0,1,0,0,0,1|1,0,1]=4 3765 B13R1.348 CC(=O)C\C(C)=C\c1ccccc1 Amb17778970 [0,1,0,0,0,1|1,0,0]=3 3766 B13R1.348 CC(=O)C\C(C)=N/c1ccccc1 Amb2610547 [0,1,0,0,0,1|1,0,1]=4 3767 B13R1.348 CC(=O)NC(=O)Nc1ccccc1 Amb4017470 [0,1,0,0,0,1|2,0,0]=4 3768 B13R1.348 CC(=O)NC(=O)Oc1ccccc1 Amb28366948 [0,1,0,0,0,1|2,0,0]=4 3769 B13R1.348 CC(=O)NC(=S)Nc1ccccc1 Amb2456399 [0,1,0,0,0,1|2,0,0]=4 3770 B13R1.348 CC(=O)N\C(Cl)=C/c1ccccc1 Amb27442451 [0,1,0,0,0,1|1,0,0]=3 3771 B13R1.348 CC(=O)\C=C(/C)Cc1ccccc1 Amb17778969 [0,1,0,0,0,1|1,0,0]=3 3772 B13R1.348 CC(=O)\C=C(/C)Nc1ccccc1 Amb20672001 [0,1,0,0,0,1|1,0,0]=3 3773 B13R1.348 CC(=O)\C=C(/Cl)Sc1ccccc1 Amb17595760 [0,1,0,0,0,1|1,0,0]=3 3774 B13R1.348 CC(=O)\C=C(\C)Nc1ccccc1 Amb2386561 [0,1,0,0,0,1|1,0,0]=3 3775 B13R1.348 CC(=O)\C=C(\N)Nc1ccccc1 Amb27876049 [0,1,0,0,0,1|1,0,0]=3 3776 B13R1.348 CC(C)=CC(=O)Cc1ccccc1 Amb27871192 [0,1,0,0,0,1|2,0,0]=4 3777 B13R1.348 CC(C)=CC(=O)Nc1ccccc1 Amb3114304 [0,1,0,0,0,1|2,0,0]=4 3778 B13R1.348 CC(C)=CC(=O)Oc1ccccc1 Amb3119550 [0,1,0,0,0,1|2,0,0]=4 3779 B13R1.348 CC(C)=CC(=O)Sc1ccccc1 Amb28242437 [0,1,0,0,0,1|2,0,0]=4 3780 B13R1.348 CC(C)=C\C(C)=C/c1ccccc1 Amb10606581 [0,1,0,0,0,1|2,0,0]=4 3781 B13R1.348 CC(C)=C\C(C)=C\c1ccccc1 Amb10842055 [0,1,0,0,0,1|2,0,0]=4 3782 B13R1.348 CC(C)=C\C(C)=N\c1ccccc1 Amb8392389 [0,1,0,0,0,1|2,0,0]=4 3783 B13R1.348 CC(CC(=O)O)Cc1ccccc1 Amb17233403 [0,1,0,0,0,1|0,0,2]=4 3784 B13R1.348 CC(CC(=O)O)Nc1ccccc1 Amb9398389 [0,1,0,0,0,1|0,0,2]=4 3785 B13R1.348 CC(CC(=O)O)Oc1ccccc1 Amb9397751 [0,1,0,0,0,1|0,0,2]=4 3786 B13R1.348 CN(CC(=O)O)Cc1ccccc1 Amb33551957 [0,1,0,0,0,1|0,0,2]=4 3787 B13R1.348 CN(CC(=O)O)Cc1ccccc1 Amb5768759 [0,1,0,0,0,1|0,0,2]=4 3788 B13R1.348 C[C@@H](CC(=O)O)Nc1ccccc1 Amb26519867 [0,1,0,0,0,1|0,0,2]=4 3789 B13R1.348 C[C@H](CC(=O)O)Nc1ccccc1 Amb8397199 [0,1,0,0,0,1|0,0,2]=4 3790 B13R1.348 C\C(=C/C(=O)O)Cc1ccccc1 Amb17233183 [0,1,0,0,0,1|0,0,0]=2 3791 B13R1.348 C\C(=C/C(=O)O)Sc1ccccc1 Amb18130094 [0,1,0,0,0,1|0,0,0]=2 3792 B13R1.348 C\C(=C/C(N)=O)Sc1ccccc1 Amb27433878 [0,1,0,0,0,1|1,0,0]=3 3793 B13R1.348 C\C(=C/c1ccccc1)CC(=N)N Amb33381495 [0,1,0,0,0,1|2,0,0]=4 3794 B13R1.348 C\C(=C/c1ccccc1)CC(=O)O Amb17594482 [0,1,0,0,0,1|0,0,0]=2 3795 B13R1.348 C\C(=C/c1ccccc1)CC(C)O Amb28190232 [0,1,0,0,0,1|1,0,1]=4 3796 B13R1.348 C\C(=C/c1ccccc1)CC(N)=O Amb33513125 [0,1,0,0,0,1|1,0,0]=3 3797 B13R1.348 C\C(=C/c1ccccc1)CC(N)=S Amb33381499 [0,1,0,0,0,1|1,1,0]=4 3798 B13R1.348 C\C(=C/c1ccccc1)CN(C)O Amb33476414 [0,1,0,0,0,1|2,0,0]=4 3799 B13R1.348 C\C(=C/c1ccccc1)C[C@@H](C)O Amb32954504 [0,1,0,0,0,1|1,0,1]=4 3800 B13R1.348 C\C(=C/c1ccccc1)C[C@H](C)O Amb32953325 [0,1,0,0,0,1|1,0,1]=4 3801 B13R1.348 C\C(=C/c1ccccc1)C[N+](=O)[O-] Amb33380907 [0,1,0,0,0,1|1,0,1]=4 3802 B13R1.348 C\C(=C\C(N)=O)Nc1ccccc1 Amb26563719 [0,1,0,0,0,1|1,0,0]=3 3803 B13R1.348 C\C(=C\c1ccccc1)NC(N)=O Amb26490847 [0,1,0,0,0,1|1,0,0]=3 3804 B13R1.348 C\C(Cl)=C\C(=O)Nc1ccccc1 Amb22462104 [0,1,0,0,0,1|2,0,0]=4 3805 B13R1.348 C\C(N)=C\C(=O)Nc1ccccc1 Amb27407089 [0,1,0,0,0,1|2,0,0]=4 3806 B13R1.348 N=C(Cc1ccccc1)NC(N)=O Amb27954665 [0,1,0,0,0,1|1,0,1]=4 3807 B13R1.348 NC(=O)NC(=O)Cc1ccccc1 Amb8513476 [0,1,0,0,0,1|1,0,1]=4 3808 B13R1.348 NC(=O)NC(=O)Nc1ccccc1 Amb2222030 [0,1,0,0,0,1|2,0,0]=4 3809 B13R1.348 NC(=O)NC(=S)Nc1ccccc1 Amb4010079 [0,1,0,0,0,1|2,0,0]=4 3810 B13R1.348 NC(CC(=O)O)Cc1ccccc1 Amb20623358 [0,1,0,0,0,1|0,0,2]=4 3811 B13R1.348 NC(CC(=O)O)Cc1ccccc1 Amb8631754 [0,1,0,0,0,1|0,0,2]=4 3812 B13R1.348 N[C@@H](CC(=O)O)Cc1ccccc1 Amb16184010 [0,1,0,0,0,1|0,0,2]=4 3813 B13R1.348 N[C@@H](CC(=O)O)Cc1ccccc1 Amb2697591 [0,1,0,0,0,1|0,0,2]=4 3814 B13R1.348 N[C@H](CC(=O)O)Cc1ccccc1 Amb2699235 [0,1,0,0,0,1|0,0,2]=4 3815 B13R1.348 N[C@H](CC(=O)O)Cc1ccccc1 Amb8629294 [0,1,0,0,0,1|0,0,2]=4 3816 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 Amb28072941 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.348 O=C(Cl)CC(=O)Nc1ccccc1 Amb27631237 [0,1,0,0,0,1|1,0,1]=4 3818 B13R1.348 O=C(Cl)NC(=O)Cc1ccccc1 Amb27169467 [0,1,0,0,0,1|1,0,1]=4 3819 B13R1.348 O=C(O)CC(=O)Nc1ccccc1 Amb2436726 [0,1,0,0,0,1|0,0,1]=3 3820 B13R1.348 O=C(O)CC(=O)Nc1ccccn1 Amb27875285 [0,1,0,0,0,1|1,0,1]=4 3821 B13R1.348 O=C(O)CC(=O)Nc1cccnc1 Amb18987417 [0,1,0,0,0,1|1,0,1]=4 3822 B13R1.348 O=C(O)CC(=O)Nc1ccncc1 Amb18295926 [0,1,0,0,0,1|1,0,1]=4 3823 B13R1.348 O=C(O)CC(Br)Cc1ccccc1 Amb18111137 [0,1,0,0,0,1|0,0,2]=4 3824 B13R1.348 O=C(O)CC(Cl)Cc1ccccc1 Amb18111136 [0,1,0,0,0,1|0,0,2]=4 3825 B13R1.348 O=C(O)CC(O)Cc1ccccc1 Amb17233662 [0,1,0,0,0,1|0,0,2]=4 3826 B13R1.348 O=C(O)C[C@@H](O)Cc1ccccc1 Amb32951764 [0,1,0,0,0,1|0,0,2]=4 3827 B13R1.348 O=C(O)C[C@H](O)Cc1ccccc1 Amb33082324 [0,1,0,0,0,1|0,0,2]=4 3828 B13R1.348 O=C([O-])CC(=O)Oc1ccccc1 Amb33513155 [0,1,0,0,0,1|0,0,2]=4 3829 B13R1.351 C=C(CCc1ccccc1)C(=O)O Amb18127719 [0,1,0,0,0,1|0,0,1]=3 3830 B13R1.351 C=C(Cl)C(O)\C=C\c1ccccc1 Amb27484752 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.351 C=C(F)C(O)\C=C\c1ccccc1 Amb27261705 [0,1,0,0,0,1|2,0,0]=4 3832 B13R1.351 C=C(\C=C\c1ccccc1)C(=O)O Amb33081816 [0,1,0,0,0,1|0,0,0]=2 3833 B13R1.351 C=C(\C=C\c1ccccc1)C(C)=O Amb27205181 [0,1,0,0,0,1|1,0,0]=3 3834 B13R1.351 C=C(\C=C\c1ccccc1)C(C)O Amb28064123 [0,1,0,0,0,1|1,0,1]=4 3835 B13R1.351 CC(=O)C(=O)NCc1ccccc1 Amb17400597 [0,1,0,0,0,1|1,0,1]=4 3836 B13R1.351 CC(=O)C(=O)OCc1ccccc1 Amb24740169 [0,1,0,0,0,1|1,0,1]=4 3837 B13R1.351 CC(=O)C(O)\C=C\c1ccccc1 Amb27861376 [0,1,0,0,0,1|1,0,0]=3 3838 B13R1.351 CC(=O)\C(C)=C/Nc1ccccc1 Amb17778142 [0,1,0,0,0,1|1,0,0]=3 3839 B13R1.351 CC(=O)\C(C)=N/Nc1ccccc1 Amb3987265 [0,1,0,0,0,1|2,0,0]=4 3840 B13R1.351 CC(=O)\C(C)=N\Cc1ccccc1 Amb25130600 [0,1,0,0,0,1|1,0,1]=4 3841 B13R1.351 CC(=O)\C(C)=N\Nc1ccccc1 Amb8479546 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.351 CC(=O)\C(Cl)=C\Nc1ccccc1 Amb28290344 [0,1,0,0,0,1|1,0,0]=3 3843 B13R1.351 CC(=O)\C(Cl)=N/Nc1ccccc1 Amb1980993 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.351 CC(=O)\C(Cl)=N\Nc1ccccc1 Amb4004716 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.351 CC(=O)\C(N)=N\Nc1ccccc1 Amb2622246 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.351 CC(CCc1ccccc1)C(=O)O Amb4011190 [0,1,0,0,0,1|0,0,2]=4 3847 B13R1.351 CC(CNc1ccccc1)C(=O)O Amb9400301 [0,1,0,0,0,1|0,0,2]=4 3848 B13R1.351 CC(COc1ccccc1)C(=O)O Amb9394526 [0,1,0,0,0,1|0,0,2]=4 3849 B13R1.351 CC(CSc1ccccc1)C(=O)O Amb9400034 [0,1,0,0,0,1|0,0,2]=4 3850 B13R1.351 CC(NCc1ccccc1)C(=O)O Amb10199880 [0,1,0,0,0,1|0,0,2]=4 3851 B13R1.351 CC(NCc1ccccc1)C(=O)O Amb9704488 [0,1,0,0,0,1|0,0,2]=4 3852 B13R1.351 CC(O)C(C)\C=C\c1ccccc1 Amb32950466 [0,1,0,0,0,1|1,0,1]=4 3853 B13R1.351 CC(O)C(O)\C=C\c1ccccc1 Amb27206448 [0,1,0,0,0,1|1,0,1]=4 3854 B13R1.351 CC(OCc1ccccc1)C(=O)O Amb6280663 [0,1,0,0,0,1|0,0,2]=4 3855 B13R1.351 CC(SCc1ccccc1)C(=O)O Amb9710523 [0,1,0,0,0,1|0,0,2]=4 3856 B13R1.351 CC(\C=C\c1ccccc1)C(=O)O Amb18127714 [0,1,0,0,0,1|0,0,0]=2 3857 B13R1.351 CC(\N=C\c1ccncc1)C(=O)O Amb28396599 [0,1,0,0,0,1|1,0,1]=4 3858 B13R1.351 CN(\N=C\c1ccccc1)C(N)=O Amb27444991 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)O Amb16185448 [0,1,0,0,0,1|0,0,2]=4 3860 B13R1.351 C[C@@H](O)[C@@H](N)\C=C\c1ccccc1 Amb27623283 [0,1,0,0,0,1|1,0,1]=4 3861 B13R1.351 C[C@@H](O)[C@H](C)\C=C\c1ccccc1 Amb28321539 [0,1,0,0,0,1|1,0,1]=4 3862 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)O Amb6357814 [0,1,0,0,0,1|0,0,2]=4 3863 B13R1.351 C[C@@H](\C=C\c1ccccc1)C(=O)O Amb27592192 [0,1,0,0,0,1|0,0,0]=2 3864 B13R1.351 C[C@@H](\N=C\c1ccccc1)C(=O)[O-] Amb27639352 [0,1,0,0,0,1|0,0,2]=4 3865 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O Amb26326642 [0,1,0,0,0,1|0,0,2]=4 3866 B13R1.351 C[C@H](O)C(=O)\C=C\c1ccccc1 Amb27865928 [0,1,0,0,0,1|1,0,1]=4 3867 B13R1.351 C[C@H](O)[C@@H](C)\C=C\c1ccccc1 Amb28319963 [0,1,0,0,0,1|1,0,1]=4 3868 B13R1.351 C[C@H](OCc1ccccc1)C(=O)O Amb25072743 [0,1,0,0,0,1|0,0,2]=4 3869 B13R1.351 C[C@H](\C=C\c1ccccc1)C(=O)O Amb27179112 [0,1,0,0,0,1|0,0,0]=2 3870 B13R1.351 C\C(=C/Sc1ccccc1)C(C)O Amb27653063 [0,1,0,0,0,1|1,0,1]=4 3871 B13R1.351 C\C(=C/Sc1ccccc1)[C@@H](C)O Amb27593921 [0,1,0,0,0,1|1,0,1]=4 3872 B13R1.351 C\C(=N/Nc1ccccc1)C(=O)O Amb6487380 [0,1,0,0,0,1|1,0,0]=3 3873 B13R1.351 C\C(=N/Nc1ccccc1)C(N)=O Amb4019440 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.351 C\C(=N/Nc1cccnc1)C(=O)O Amb27608651 [0,1,0,0,0,1|2,0,0]=4 3875 B13R1.351 N=C(NNc1ccccc1)C(N)=O Amb6843468 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.351 NC(=O)C(=O)NNc1ccccc1 Amb27415736 [0,1,0,0,0,1|2,0,0]=4 3877 B13R1.351 NC(=O)C(=O)OCc1ccccc1 Amb27608591 [0,1,0,0,0,1|1,0,1]=4 3878 B13R1.351 NC(CCc1ccccc1)C(=O)O Amb33309501 [0,1,0,0,0,1|0,0,2]=4 3879 B13R1.351 NC(CCc1ccccc1)C(=O)O Amb4134816 [0,1,0,0,0,1|0,0,2]=4 3880 B13R1.351 NC(CSc1ccccc1)C(=O)O Amb18325246 [0,1,0,0,0,1|0,0,2]=4 3881 B13R1.351 N[C@@H](CCc1ccccc1)C(=O)O Amb6295860 [0,1,0,0,0,1|0,0,2]=4 3882 B13R1.351 N[C@@H](CCc1ccccc1)C(=O)O Amb8393714 [0,1,0,0,0,1|0,0,2]=4 3883 B13R1.351 N[C@@H](CNc1ccccc1)C(=O)O Amb26880836 [0,1,0,0,0,1|0,0,2]=4 3884 B13R1.351 N[C@@H](CSc1ccccc1)C(=O)O Amb6357272 [0,1,0,0,0,1|0,0,2]=4 3885 B13R1.351 N[C@@H](\C=C\c1ccccc1)C(=O)O Amb2694855 [0,1,0,0,0,1|0,0,0]=2 3886 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O Amb6357139 [0,1,0,0,0,1|0,0,2]=4 3887 B13R1.351 N\C(=C\Cc1cccnc1)C(=O)O Amb28370348 [0,1,0,0,0,1|1,0,0]=3 3888 B13R1.351 O=C(Cl)C(=O)OCc1ccccc1 Amb24687217 [0,1,0,0,0,1|1,0,1]=4 3889 B13R1.351 O=C(O)C(=O)CCc1ccccc1 Amb8391159 [0,1,0,0,0,1|0,0,1]=3 3890 B13R1.351 O=C(O)C(=O)NCc1ccccc1 Amb838961 [0,1,0,0,0,1|0,0,1]=3 3891 B13R1.351 O=C(O)C(=O)NCc1ccccn1 Amb33457520 [0,1,0,0,0,1|1,0,1]=4 3892 B13R1.351 O=C(O)C(=O)NCc1ccccn1 Amb9303999 [0,1,0,0,0,1|1,0,1]=4 3893 B13R1.351 O=C(O)C(=O)NCc1cccnc1 Amb9304022 [0,1,0,0,0,1|1,0,1]=4 3894 B13R1.351 O=C(O)C(=O)NCc1ccncc1 Amb9304023 [0,1,0,0,0,1|1,0,1]=4 3895 B13R1.351 O=C(O)C(=O)NNc1ccccc1 Amb18128574 [0,1,0,0,0,1|1,0,0]=3 3896 B13R1.351 O=C(O)C(=O)OCc1ccccc1 Amb18128558 [0,1,0,0,0,1|0,0,1]=3 3897 B13R1.351 O=C(O)C(=O)\C=C/c1ccccc1 Amb27628477 [0,1,0,0,0,1|0,0,0]=2 3898 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb16192457 [0,1,0,0,0,1|0,0,0]=2 3899 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb4477338 [0,1,0,0,0,1|0,0,0]=2 3900 B13R1.351 O=C(O)C(=O)\C=C\c1ccccn1 Amb17470558 [0,1,0,0,0,1|1,0,0]=3 3901 B13R1.351 O=C(O)C(=O)\C=C\c1cccnc1 Amb17470559 [0,1,0,0,0,1|1,0,0]=3 3902 B13R1.351 O=C(O)C(=O)\C=C\c1ccncc1 Amb17470560 [0,1,0,0,0,1|1,0,0]=3 3903 B13R1.351 O=C(O)C(=O)\C=C\c1cnccn1 Amb35600936 [0,1,0,0,0,1|2,0,0]=4 3904 B13R1.351 O=C(O)C(=O)\C=C\c1cncnc1 Amb27965124 [0,1,0,0,0,1|2,0,0]=4 3905 B13R1.351 O=C(O)C(=S)NCc1ccccc1 Amb27645460 [0,1,0,0,0,1|0,0,1]=3 3906 B13R1.351 O=C(O)C(Br)CCc1ccccc1 Amb18662872 [0,1,0,0,0,1|0,0,2]=4 3907 B13R1.351 O=C(O)C(O)CCc1ccccc1 Amb2718777 [0,1,0,0,0,1|0,0,2]=4 3908 B13R1.351 O=C(O)C(O)CNc1ccccc1 Amb27179092 [0,1,0,0,0,1|0,0,2]=4 3909 B13R1.351 O=C(O)C(O)\C=C\c1ccccc1 Amb17594531 [0,1,0,0,0,1|0,0,0]=2 3910 B13R1.351 O=C(O)[C@@H](O)CCc1ccccc1 Amb10603260 [0,1,0,0,0,1|0,0,2]=4 3911 B13R1.351 O=C(O)[C@H](O)CCc1ccccc1 Amb8628145 [0,1,0,0,0,1|0,0,2]=4 3912 B13R1.351 O=C(O)[C@H](O)\C=C\c1ccccc1 Amb26621099 [0,1,0,0,0,1|0,0,0]=2 3913 B13R1.351 O=C(O)\C(Cl)=N\Nc1ccccc1 Amb27232838 [0,1,0,0,0,1|1,0,0]=3 3914 B13R1.351 O=C([O-])C(=O)CCc1ccccc1 Amb32662535 [0,1,0,0,0,1|0,0,2]=4 3915 B13R1.513 CC(=N)N\C=C\c1ccc(Cl)cc1 Amb27642280 [0,1,0,0,0,1|2,0,0]=4 3916 B13R1.513 CC(=O)C=C=Cc1ccc(F)cc1 Amb27836824 [0,1,0,0,0,1|1,0,0]=3 3917 B13R1.513 CC(=O)C\C=C\c1ccc(F)cc1 Amb33448623 [0,1,0,0,0,1|1,0,0]=3 3918 B13R1.513 CC(=O)C\C=C\c1ccc(O)cc1 Amb24747691 [0,1,0,0,0,1|1,0,0]=3 3919 B13R1.513 CC(=O)C\C=N\c1ccc(C)cc1 Amb26840629 [0,1,0,0,0,1|1,0,1]=4 3920 B13R1.513 CC(=O)N\C=C\c1ccc(Cl)cc1 Amb27858920 [0,1,0,0,0,1|1,0,0]=3 3921 B13R1.513 CC(=O)N\C=C\c1ccc(F)cc1 Amb26459773 [0,1,0,0,0,1|1,0,0]=3 3922 B13R1.513 CC(=O)N\C=C\c1ccc(O)cc1 Amb26396654 [0,1,0,0,0,1|1,0,0]=3 3923 B13R1.513 CC(=O)N\N=C\c1ccc(Cl)cc1 Amb16224983 [0,1,0,0,0,1|2,0,0]=4 3924 B13R1.513 CC(=O)N\N=C\c1ccc(O)cc1 Amb3360654 [0,1,0,0,0,1|2,0,0]=4 3925 B13R1.513 CC(=O)O\N=C\c1ccc(O)cc1 Amb25302268 [0,1,0,0,0,1|2,0,0]=4 3926 B13R1.513 CC(=O)\C=C\Nc1ccc(C)cc1 Amb27238701 [0,1,0,0,0,1|1,0,0]=3 3927 B13R1.513 CC(=O)\C=C\Oc1ccc(C)cc1 Amb28052215 [0,1,0,0,0,1|1,0,0]=3 3928 B13R1.513 CC(=S)\C=C\Nc1ccc(C)cc1 Amb27955845 [0,1,0,0,0,1|1,1,0]=4 3929 B13R1.513 CC(C)=C\C=C/c1ccc(Cl)cc1 Amb22546620 [0,1,0,0,0,1|2,0,0]=4 3930 B13R1.513 CC(C)=C\C=C/c1ccc(F)cc1 Amb22546640 [0,1,0,0,0,1|2,0,0]=4 3931 B13R1.513 CC(O)C\C=C\c1ccc(F)cc1 Amb27197193 [0,1,0,0,0,1|1,0,1]=4 3932 B13R1.513 CN(O)C\C=C\c1ccc(F)cc1 Amb33224456 [0,1,0,0,0,1|2,0,0]=4 3933 B13R1.513 C[C@@H](O)C\C=C\c1ccc(F)cc1 Amb33202434 [0,1,0,0,0,1|1,0,1]=4 3934 B13R1.513 C[C@H](O)C\C=C\c1ccc(F)cc1 Amb33202435 [0,1,0,0,0,1|1,0,1]=4 3935 B13R1.513 C\C(N)=N\C=C\c1ccc(Cl)cc1 Amb27252251 [0,1,0,0,0,1|2,0,0]=4 3936 B13R1.513 Cc1ccc(C#CCC(=O)O)cc1 Amb26652085 [0,1,0,0,0,1|0,0,2]=4 3937 B13R1.513 Cc1ccc(CCCC(=O)O)cc1 Amb2568475 [0,1,0,0,0,1|0,0,2]=4 3938 B13R1.513 Cc1ccc(CNCC(=O)O)cc1 Amb7766541 [0,1,0,0,0,1|0,0,2]=4 3939 B13R1.513 Cc1ccc(COCC(=O)O)cc1 Amb17470625 [0,1,0,0,0,1|0,0,2]=4 3940 B13R1.513 Cc1ccc(CSCC(=O)O)cc1 Amb1211907 [0,1,0,0,0,1|0,0,2]=4 3941 B13R1.513 Cc1ccc(NCCC(=O)O)cc1 Amb2209164 [0,1,0,0,0,1|0,0,2]=4 3942 B13R1.513 Cc1ccc(N\C=C\C(=O)O)cc1 Amb27610327 [0,1,0,0,0,1|0,0,0]=2 3943 B13R1.513 Cc1ccc(N\N=C\C(=O)O)cc1 Amb27751813 [0,1,0,0,0,1|1,0,0]=3 3944 B13R1.513 Cc1ccc(N\N=C\C(N)=O)cc1 Amb26501777 [0,1,0,0,0,1|2,0,0]=4 3945 B13R1.513 Cc1ccc(OCCC(=O)O)cc1 Amb6332253 [0,1,0,0,0,1|0,0,2]=4 3946 B13R1.513 Cc1ccc(O\C=C\C(=O)O)cc1 Amb27637638 [0,1,0,0,0,1|0,0,0]=2 3947 B13R1.513 Cc1ccc(SCCC(=O)O)cc1 Amb1102788 [0,1,0,0,0,1|0,0,2]=4 3948 B13R1.513 Cc1ccc(S\C=C/C(N)=O)cc1 Amb28194867 [0,1,0,0,0,1|1,0,0]=3 3949 B13R1.513 Cc1ccc(\C=C\CC(=O)O)cc1 Amb6740311 [0,1,0,0,0,1|0,0,0]=2 3950 B13R1.513 Cc1ccc(\C=N/NC(N)=O)cc1 Amb30622484 [0,1,0,0,0,1|2,0,0]=4 3951 B13R1.513 Cc1ccc(\C=N\NC(N)=O)cc1 Amb4023244 [0,1,0,0,0,1|2,0,0]=4 3952 B13R1.513 Cc1ccc(\C=N\OC(N)=O)cc1 Amb28385706 [0,1,0,0,0,1|2,0,0]=4 3953 B13R1.513 N=C(N)C\C=C\c1ccc(F)cc1 Amb33200202 [0,1,0,0,0,1|2,0,0]=4 3954 B13R1.513 NC(=O)NNC=C1C=CC(=O)C=C1 Amb28292746 [0,1,0,0,0,1|2,0,0]=4 3955 B13R1.513 NC(=O)N\N=C/c1ccc(Br)cc1 Amb30622480 [0,1,0,0,0,1|2,0,0]=4 3956 B13R1.513 NC(=O)N\N=C/c1ccc(F)cc1 Amb30622481 [0,1,0,0,0,1|2,0,0]=4 3957 B13R1.513 NC(=O)N\N=C/c1ccc(I)cc1 Amb30622509 [0,1,0,0,0,1|2,0,0]=4 3958 B13R1.513 NC(=O)N\N=C\c1ccc(Cl)cc1 Amb2756832 [0,1,0,0,0,1|2,0,0]=4 3959 B13R1.513 NC(=O)N\N=C\c1ccc(F)cc1 Amb9816216 [0,1,0,0,0,1|2,0,0]=4 3960 B13R1.513 NC(=O)N\N=C\c1ccc(I)cc1 Amb28136754 [0,1,0,0,0,1|2,0,0]=4 3961 B13R1.513 NC(=O)N\N=C\c1ccc(O)cc1 Amb2657973 [0,1,0,0,0,1|2,0,0]=4 3962 B13R1.513 NC(=O)O\N=C\c1ccc(Cl)cc1 Amb26633071 [0,1,0,0,0,1|2,0,0]=4 3963 B13R1.513 NC(=S)C\C=C\c1ccc(F)cc1 Amb33201171 [0,1,0,0,0,1|1,1,0]=4 3964 B13R1.513 Nc1ccc(C#CCC(=O)O)cc1 Amb25341249 [0,1,0,0,0,1|0,0,2]=4 3965 B13R1.513 Nc1ccc(CCCC(=O)O)cc1 Amb3940777 [0,1,0,0,0,1|0,0,2]=4 3966 B13R1.513 Nc1ccc(COCC(=O)O)cc1 Amb6739977 [0,1,0,0,0,1|0,0,2]=4 3967 B13R1.513 Nc1ccc(CSCC(=O)O)cc1 Amb17497517 [0,1,0,0,0,1|0,0,2]=4 3968 B13R1.513 Nc1ccc(NCCC(=O)O)cc1 Amb25060675 [0,1,0,0,0,1|0,0,2]=4 3969 B13R1.513 Nc1ccc(OCCC(=O)O)cc1 Amb19348346 [0,1,0,0,0,1|0,0,2]=4 3970 B13R1.513 Nc1ccc(OCCC(=O)O)cc1 Amb33536339 [0,1,0,0,0,1|0,0,2]=4 3971 B13R1.513 Nc1ccc(SCCC(=O)O)cc1 Amb19014210 [0,1,0,0,0,1|0,0,2]=4 3972 B13R1.513 Nc1ccc(S\C=C\C(=O)O)cn1 Amb27664001 [0,1,0,0,0,1|1,0,0]=3 3973 B13R1.513 O=C(O)CC#Cc1ccc(Br)cc1 Amb26604725 [0,1,0,0,0,1|0,0,2]=4 3974 B13R1.513 O=C(O)CC#Cc1ccc(Cl)cc1 Amb27179199 [0,1,0,0,0,1|0,0,2]=4 3975 B13R1.513 O=C(O)CC#Cc1ccc(F)cc1 Amb25896286 [0,1,0,0,0,1|0,0,2]=4 3976 B13R1.513 O=C(O)CC#Cc1ccc(I)cc1 Amb25783158 [0,1,0,0,0,1|0,0,2]=4 3977 B13R1.513 O=C(O)CC#Cc1ccc(O)cc1 Amb24683847 [0,1,0,0,0,1|0,0,2]=4 3978 B13R1.513 O=C(O)CCCc1ccc(Br)cc1 Amb2724902 [0,1,0,0,0,1|0,0,2]=4 3979 B13R1.513 O=C(O)CCCc1ccc(Cl)cc1 Amb3932917 [0,1,0,0,0,1|0,0,2]=4 3980 B13R1.513 O=C(O)CCCc1ccc(F)cc1 Amb2719687 [0,1,0,0,0,1|0,0,2]=4 3981 B13R1.513 O=C(O)CCCc1ccc(I)cc1 Amb6740420 [0,1,0,0,0,1|0,0,2]=4 3982 B13R1.513 O=C(O)CCCc1ccc(O)cc1 Amb10602364 [0,1,0,0,0,1|0,0,2]=4 3983 B13R1.513 O=C(O)CCNc1ccc(Br)cc1 Amb2209168 [0,1,0,0,0,1|0,0,2]=4 3984 B13R1.513 O=C(O)CCNc1ccc(Cl)cc1 Amb2209167 [0,1,0,0,0,1|0,0,2]=4 3985 B13R1.513 O=C(O)CCNc1ccc(F)cc1 Amb2209163 [0,1,0,0,0,1|0,0,2]=4 3986 B13R1.513 O=C(O)CCOc1ccc(Br)cc1 Amb1118334 [0,1,0,0,0,1|0,0,2]=4 3987 B13R1.513 O=C(O)CCOc1ccc(Cl)cc1 Amb1115231 [0,1,0,0,0,1|0,0,2]=4 3988 B13R1.513 O=C(O)CCOc1ccc(F)cc1 Amb1119259 [0,1,0,0,0,1|0,0,2]=4 3989 B13R1.513 O=C(O)CCSc1ccc(Br)cc1 Amb1118833 [0,1,0,0,0,1|0,0,2]=4 3990 B13R1.513 O=C(O)CCSc1ccc(Cl)cc1 Amb1102804 [0,1,0,0,0,1|0,0,2]=4 3991 B13R1.513 O=C(O)CCSc1ccc(F)cc1 Amb1215312 [0,1,0,0,0,1|0,0,2]=4 3992 B13R1.513 O=C(O)CNCc1ccc(Br)cc1 Amb9204138 [0,1,0,0,0,1|0,0,2]=4 3993 B13R1.513 O=C(O)CNCc1ccc(Cl)cc1 Amb1111327 [0,1,0,0,0,1|0,0,2]=4 3994 B13R1.513 O=C(O)CNCc1ccc(Cl)cc1 Amb15740982 [0,1,0,0,0,1|0,0,2]=4 3995 B13R1.513 O=C(O)CNCc1ccc(F)cc1 Amb10610178 [0,1,0,0,0,1|0,0,2]=4 3996 B13R1.513 O=C(O)CNCc1ccc(F)cc1 Amb2372201 [0,1,0,0,0,1|0,0,2]=4 3997 B13R1.513 O=C(O)CNCc1ccc(O)cc1 Amb33802292 [0,1,0,0,0,1|0,0,2]=4 3998 B13R1.513 O=C(O)COCc1ccc(Br)cc1 Amb2745250 [0,1,0,0,0,1|0,0,2]=4 3999 B13R1.513 O=C(O)COCc1ccc(Cl)cc1 Amb17471000 [0,1,0,0,0,1|0,0,2]=4 4000 B13R1.513 O=C(O)COCc1ccc(F)cc1 Amb17470663 [0,1,0,0,0,1|0,0,2]=4 4001 B13R1.513 O=C(O)COCc1ccc(I)cc1 Amb32669721 [0,1,0,0,0,1|0,0,2]=4 4002 B13R1.513 O=C(O)CSCc1ccc(Br)cc1 Amb6337639 [0,1,0,0,0,1|0,0,2]=4 4003 B13R1.513 O=C(O)CSCc1ccc(Cl)cc1 Amb6457724 [0,1,0,0,0,1|0,0,2]=4 4004 B13R1.513 O=C(O)CSCc1ccc(F)cc1 Amb1210139 [0,1,0,0,0,1|0,0,2]=4 4005 B13R1.513 O=C(O)C\C=C\c1ccc(Br)cc1 Amb32644833 [0,1,0,0,0,1|0,0,0]=2 4006 B13R1.513 O=C(O)C\C=C\c1ccc(Cl)cc1 Amb18066407 [0,1,0,0,0,1|0,0,0]=2 4007 B13R1.513 O=C(O)C\C=C\c1ccc(F)cc1 Amb18065898 [0,1,0,0,0,1|0,0,0]=2 4008 B13R1.513 O=C(O)C\C=C\c1ccc(O)cc1 Amb18128099 [0,1,0,0,0,1|0,0,0]=2 4009 B13R1.513 O=C(O)\C=C/Oc1ccc(Cl)cc1 Amb27407717 [0,1,0,0,0,1|0,0,0]=2 4010 B13R1.513 O=C(O)\C=C\Sc1ccc(F)cc1 Amb27415976 [0,1,0,0,0,1|0,0,0]=2 4011 B13R1.513 O=C(O)\C=C\Sc1ccc(O)cc1 Amb27166956 [0,1,0,0,0,1|0,0,0]=2 4012 B13R1.513 O=C(O)\C=N\Nc1ccc(F)cc1 Amb13952470 [0,1,0,0,0,1|1,0,0]=3 4013 B13R1.513 O=C1C=CC(=NOCC(=O)O)C=C1 Amb24496821 [0,1,0,0,0,1|1,0,1]=4 4014 B13R1.513 O=[N+]([O-])C\C=C\c1ccc(F)cc1 Amb33202420 [0,1,0,0,0,1|1,0,1]=4 4015 B13R1.718 CCC(=O)N\N=C\c1ccccc1 Amb6775189 [0,1,0,0,0,1|2,0,0]=4 4016 B13R1.718 CCC(=O)\C=N\Nc1ccccc1 Amb25979225 [0,1,0,0,0,1|2,0,0]=4 4017 B13R1.718 CNC(=O)C\C=C\c1ccccc1 Amb25857434 [0,1,0,0,0,1|1,0,0]=3 4018 B13R1.718 CNC(=O)O\N=C\c1ccccc1 Amb27827371 [0,1,0,0,0,1|2,0,0]=4 4019 B13R1.718 CNC(=O)\C=C\Sc1ccccc1 Amb27443864 [0,1,0,0,0,1|1,0,0]=3 4020 B13R1.718 CNC(=O)\C=N\Nc1ccccc1 Amb24444432 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.718 COC(=O)C=C=Cc1ccccc1 Amb27635444 [0,1,0,0,0,1|0,0,0]=2 4022 B13R1.718 COC(=O)CCCc1ccccc1 Amb2720838 [0,1,0,0,0,1|0,0,2]=4 4023 B13R1.718 COC(=O)CCNc1ccccc1 Amb1930724 [0,1,0,0,0,1|0,0,2]=4 4024 B13R1.718 COC(=O)CNCc1ccccc1 Amb21929289 [0,1,0,0,0,1|0,0,2]=4 4025 B13R1.718 COC(=O)CNCc1ccccc1 Amb6687129 [0,1,0,0,0,1|0,0,2]=4 4026 B13R1.718 COC(=O)COCc1ccccc1 Amb7755418 [0,1,0,0,0,1|0,0,2]=4 4027 B13R1.718 COC(=O)NNCc1ccccc1 Amb27972025 [0,1,0,0,0,1|1,0,1]=4 4028 B13R1.718 COC(=O)NOCc1ccccc1 Amb25359225 [0,1,0,0,0,1|1,0,1]=4 4029 B13R1.718 COC(=O)N\C=C\c1cccnc1 Amb27751361 [0,1,0,0,0,1|1,0,0]=3 4030 B13R1.718 COC(=O)N\N=C\c1ccccc1 Amb2411289 [0,1,0,0,0,1|1,0,0]=3 4031 B13R1.718 COC(=O)N\N=C\c1ccncc1 Amb6558121 [0,1,0,0,0,1|2,0,0]=4 4032 B13R1.718 COC(=O)\C=C\Cc1ccccc1 Amb30647398 [0,1,0,0,0,1|0,0,0]=2 4033 B13R1.718 COC(=O)\C=C\Nc1ccccc1 Amb2386662 [0,1,0,0,0,1|0,0,0]=2 4034 B13R1.718 COC(=O)\C=C\Sc1ccccc1 Amb33473610 [0,1,0,0,0,1|0,0,0]=2 4035 B13R1.718 COC(=O)\C=N\Nc1ccccc1 Amb28131043 [0,1,0,0,0,1|1,0,0]=3 4036 B13R1.718 C\C(=C/C=C/c1ccccc1)CBr Amb28140679 [0,1,0,0,0,1|2,0,0]=4 4037 B13R1.718 C\C(=C/C=C/c1ccccc1)CCl Amb27455495 [0,1,0,0,0,1|2,0,0]=4 4038 B13R1.718 C\C(C=O)=C/C#Cc1ccccc1 Amb28076967 [0,1,0,0,0,1|1,0,1]=4 4039 B13R1.718 C\C(C=O)=C/C=C/c1ccccc1 Amb18126919 [0,1,0,0,0,1|1,0,0]=3 4040 B13R1.718 NC(CO)C\C=C\c1ccccc1 Amb33081461 [0,1,0,0,0,1|1,0,1]=4 4041 B13R1.718 NCC(=O)\C=N\Nc1ccccc1 Amb27804018 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.718 NCC(O)C\C=C\c1ccccc1 Amb33081075 [0,1,0,0,0,1|1,0,1]=4 4043 B13R1.718 NNC(=O)C\C=C\c1ccccc1 Amb24540797 [0,1,0,0,0,1|1,0,0]=3 4044 B13R1.718 NNC(=O)N\N=C\c1ccccc1 Amb20093354 [0,1,0,0,0,1|2,0,0]=4 4045 B13R1.718 NNC(=O)\C=C\Sc1ccccc1 Amb27163745 [0,1,0,0,0,1|1,0,0]=3 4046 B13R1.718 O=C(CCCc1ccccc1)NO Amb9206288 [0,1,0,0,0,1|0,0,2]=4 4047 B13R1.718 O=C(CCCc1ccccc1)O[Na] Amb8393622 [0,1,0,0,0,1|0,0,2]=4 4048 B13R1.718 O=C(CCOc1ccccc1)NO Amb6279077 [0,1,0,0,0,1|0,0,2]=4 4049 B13R1.718 O=C(CNCc1ccccc1)NO Amb27647939 [0,1,0,0,0,1|0,0,2]=4 4050 B13R1.718 O=C(CO)CCCc1ccccc1 Amb33129305 [0,1,0,0,0,1|0,0,2]=4 4051 B13R1.718 O=C(CO)NCCc1ccccc1 Amb1111400 [0,1,0,0,0,1|0,0,2]=4 4052 B13R1.718 O=C(CO)N\N=C\c1ccccn1 Amb27749119 [0,1,0,0,0,1|2,0,0]=4 4053 B13R1.718 O=C(\C=C\Sc1ccccc1)NO Amb28182995 [0,1,0,0,0,1|0,0,0]=2 4054 B13R1.718 O=C(\C=N\Nc1ccccc1)CCl Amb27187376 [0,1,0,0,0,1|2,0,0]=4 4055 B13R1.718 O=C\C(F)=C/C=C/c1ccccc1 Amb27629668 [0,1,0,0,0,1|1,0,0]=3 4056 B13R1.718 O=C\C(F)=C/NCc1ccccc1 Amb27440483 [0,1,0,0,0,1|1,0,1]=4 4057 B13R1.718 O=C\C(F)=C\C=C\c1ccccc1 Amb27974016 [0,1,0,0,0,1|1,0,0]=3 4058 B13R1.718 O=C\C(O)=C\C=C\c1ccccc1 Amb18127198 [0,1,0,0,0,1|0,0,0]=2 4059 B13R1.3523 CC(C)(O)C\C=C\c1ccccc1 Amb33081335 [0,1,0,0,0,1|1,0,1]=4 4060 B13R1.3523 CS(=O)(=O)C\C=C\c1ccccc1 Amb27769777 [0,1,0,0,0,1|1,0,1]=4 4061 B13R1.3523 CS(=O)(=O)\C=C\Nc1ccccc1 Amb27393612 [0,1,0,0,0,1|1,0,1]=4 4062 B13R1.3523 O=P(O)(O)C\C=C\c1ccccc1 Amb22388864 [0,1,0,0,0,1|1,0,0]=3 4063 B13R1.3523 O=S(=O)(Cl)C\C=C\c1ccccc1 Amb17062340 [0,1,0,0,0,1|1,0,1]=4 4064 B13R1.3523 O=S(=O)(F)C\C=C\c1ccccc1 Amb33081078 [0,1,0,0,0,1|1,0,1]=4 4065 B13R1.280 O=C(O)COC1=CC=CC=CC1=O Amb24552925 [0,1,0,0,0,1|1,0,1]=4 4066 B13R1.3 C#Cc1ccc(CCC(=O)O)cc1 Amb27409035 [0,2,0,0,0,0|0,0,2]=4 4067 B13R1.3 C#Cc1ccc(NCC(=O)O)cc1 Amb32990388 [0,2,0,0,0,0|1,0,1]=4 4068 B13R1.3 C#Cc1ccc(OCC(=O)O)cc1 Amb27392350 [0,2,0,0,0,0|1,0,1]=4 4069 B13R1.3 C#Cc1ccc(\C=C\C(=O)O)cc1 Amb33224403 [0,2,0,0,0,0|0,0,0]=2 4070 B13R1.3 C#Cc1ccc(\C=C\C(C)=O)cc1 Amb32882244 [0,2,0,0,0,0|1,0,0]=3 4071 B13R1.3 C#Cc1ccc(\C=C\[N+](=O)[O-])cc1 Amb33267355 [0,2,0,0,0,0|1,0,1]=4 4072 B13R1.3 C=Cc1ccc(\C=C\C(=O)O)cc1 Amb27232985 [0,2,0,0,0,0|0,0,0]=2 4073 B13R1.3 CC(=O)\C=C/c1ccc(C#N)cc1 Amb28074659 [0,2,0,0,0,0|1,0,0]=3 4074 B13R1.3 CC(=O)\C=C\c1ccc(C#N)cc1 Amb33475295 [0,2,0,0,0,0|1,0,0]=3 4075 B13R1.3 CC(=O)\C=C\c1ccc(C=O)cc1 Amb22493603 [0,2,0,0,0,0|1,0,0]=3 4076 B13R1.3 CCc1ccc(C#CC(=O)O)cc1 Amb17138716 [0,2,0,0,0,0|0,0,2]=4 4077 B13R1.3 CCc1ccc(CCC(=O)O)cc1 Amb1214445 [0,2,0,0,0,0|0,0,2]=4 4078 B13R1.3 CCc1ccc(NCC(=O)O)cc1 Amb4598559 [0,2,0,0,0,0|1,0,1]=4 4079 B13R1.3 CCc1ccc(OCC(=O)O)cc1 Amb6318532 [0,2,0,0,0,0|1,0,1]=4 4080 B13R1.3 CCc1ccc(SCC(=O)O)cc1 Amb17082983 [0,2,0,0,0,0|1,0,1]=4 4081 B13R1.3 CCc1ccc(\C=C\B(O)O)cc1 Amb26339846 [0,2,0,0,0,0|1,0,1]=4 4082 B13R1.3 CCc1ccc(\C=C\C(=O)Cl)cc1 Amb17143147 [0,2,0,0,0,0|1,0,0]=3 4083 B13R1.3 CCc1ccc(\C=C\C(=O)O)cc1 Amb6384691 [0,2,0,0,0,0|0,0,0]=2 4084 B13R1.3 CCc1ccc(\C=C\C(C)=O)cc1 Amb33359755 [0,2,0,0,0,0|1,0,0]=3 4085 B13R1.3 CCc1ccc(\C=C\C(C)O)cc1 Amb25343977 [0,2,0,0,0,0|1,0,1]=4 4086 B13R1.3 CCc1ccc(\C=C\C(N)=O)cc1 Amb8998271 [0,2,0,0,0,0|1,0,0]=3 4087 B13R1.3 CCc1ccc(\C=C\S(=O)[O-])cc1 Amb32755730 [0,2,0,0,0,0|1,0,1]=4 4088 B13R1.3 CCc1ccc(\C=C\[N+](=O)[O-])cc1 Amb17836337 [0,2,0,0,0,0|1,0,1]=4 4089 B13R1.3 CCc1ncc(\C=C\C(=O)O)cn1 Amb25824150 [0,2,0,0,0,0|2,0,0]=4 4090 B13R1.3 CNc1ccc(CCC(=O)O)cc1 Amb27267845 [0,2,0,0,0,0|0,0,2]=4 4091 B13R1.3 CNc1ccc(OCC(=O)O)cc1 Amb2819587 [0,2,0,0,0,0|1,0,1]=4 4092 B13R1.3 CNc1ncc(\C=C\C(=O)O)cn1 Amb841016 [0,2,0,0,0,0|2,0,0]=4 4093 B13R1.3 COc1ccc(C#CC(=O)O)cc1 Amb3470709 [0,2,0,0,0,0|0,0,2]=4 4094 B13R1.3 COc1ccc(CCC(=O)O)cc1 Amb6335224 [0,2,0,0,0,0|0,0,2]=4 4095 B13R1.3 COc1ccc(NCC(=O)O)cc1 Amb1981429 [0,2,0,0,0,0|1,0,1]=4 4096 B13R1.3 COc1ccc(OCC(=O)O)cc1 Amb6336451 [0,2,0,0,0,0|1,0,1]=4 4097 B13R1.3 COc1ccc(SCC(=O)O)cc1 Amb1197559 [0,2,0,0,0,0|1,0,1]=4 4098 B13R1.3 COc1ccc(\C=C/C(=O)O)cc1 Amb24669596 [0,2,0,0,0,0|0,0,0]=2 4099 B13R1.3 COc1ccc(\C=C/C(N)=O)cn1 Amb27592393 [0,2,0,0,0,0|2,0,0]=4 4100 B13R1.3 COc1ccc(\C=C\B(O)O)cc1 Amb33964172 [0,2,0,0,0,0|1,0,1]=4 4101 B13R1.3 COc1ccc(\C=C\C(=N)N)cc1 Amb26602994 [0,2,0,0,0,0|2,0,0]=4 4102 B13R1.3 COc1ccc(\C=C\C(=O)Cl)cc1 Amb8394927 [0,2,0,0,0,0|1,0,0]=3 4103 B13R1.3 COc1ccc(\C=C\C(=O)O)cc1 Amb6335341 [0,2,0,0,0,0|0,0,0]=2 4104 B13R1.3 COc1ccc(\C=C\C(=O)O)cn1 Amb33079455 [0,2,0,0,0,0|1,0,0]=3 4105 B13R1.3 COc1ccc(\C=C\C(=O)O)nc1 Amb28556009 [0,2,0,0,0,0|1,0,0]=3 4106 B13R1.3 COc1ccc(\C=C\C(C)=O)cc1 Amb1240513 [0,2,0,0,0,0|1,0,0]=3 4107 B13R1.3 COc1ccc(\C=C\C(C)=O)cn1 Amb33448501 [0,2,0,0,0,0|2,0,0]=4 4108 B13R1.3 COc1ccc(\C=C\C(C)=O)nc1 Amb33204065 [0,2,0,0,0,0|2,0,0]=4 4109 B13R1.3 COc1ccc(\C=C\C(C)O)cc1 Amb25896128 [0,2,0,0,0,0|1,0,1]=4 4110 B13R1.3 COc1ccc(\C=C\S(C)=O)cc1 Amb2612173 [0,2,0,0,0,0|2,0,0]=4 4111 B13R1.3 COc1ccc(\C=C\[C@H](C)O)cc1 Amb28138411 [0,2,0,0,0,0|1,0,1]=4 4112 B13R1.3 COc1ccc(\C=C\[N+](=O)[O-])cc1 Amb6323275 [0,2,0,0,0,0|1,0,1]=4 4113 B13R1.3 COc1ccc(\C=N\C(N)=O)cc1 Amb27771859 [0,2,0,0,0,0|2,0,0]=4 4114 B13R1.3 COc1ccc(\N=C\C(C)=O)cc1 Amb26463325 [0,2,0,0,0,0|2,0,0]=4 4115 B13R1.3 COc1cnc(\C=C\C(=O)O)cn1 Amb35634613 [0,2,0,0,0,0|2,0,0]=4 4116 B13R1.3 COc1ncc(\C=C\C(=O)O)cn1 Amb33276242 [0,2,0,0,0,0|2,0,0]=4 4117 B13R1.3 CSc1ccc(C#CC(=O)O)cc1 Amb25334092 [0,2,0,0,0,0|0,0,2]=4 4118 B13R1.3 CSc1ccc(CCC(=O)O)cc1 Amb7797443 [0,2,0,0,0,0|0,0,2]=4 4119 B13R1.3 CSc1ccc(OCC(=O)O)cc1 Amb2610994 [0,2,0,0,0,0|1,0,1]=4 4120 B13R1.3 CSc1ccc(\C=C\C(=O)Cl)cc1 Amb24567241 [0,2,0,0,0,0|1,0,0]=3 4121 B13R1.3 CSc1ccc(\C=C\C(=O)Cl)cn1 Amb25230153 [0,2,0,0,0,0|2,0,0]=4 4122 B13R1.3 CSc1ccc(\C=C\C(=O)O)cc1 Amb33869500 [0,2,0,0,0,0|0,0,0]=2 4123 B13R1.3 CSc1ccc(\C=C\C(=O)O)cn1 Amb27657533 [0,2,0,0,0,0|1,0,0]=3 4124 B13R1.3 CSc1ccc(\C=C\C(C)=O)cc1 Amb33079245 [0,2,0,0,0,0|1,0,0]=3 4125 B13R1.3 CSc1ccc(\C=C\C(N)=O)cc1 Amb27413527 [0,2,0,0,0,0|1,0,0]=3 4126 B13R1.3 CSc1ccc(\C=C\C(N)=S)cc1 Amb27882899 [0,2,0,0,0,0|1,1,0]=4 4127 B13R1.3 CSc1ccc(\C=C\[N+](=O)[O-])cc1 Amb2763955 [0,2,0,0,0,0|1,0,1]=4 4128 B13R1.3 CSc1ncc(\C=C\C(=O)O)cn1 Amb837212 [0,2,0,0,0,0|2,0,0]=4 4129 B13R1.3 N#Cc1ccc(CCC(=O)O)cc1 Amb1225379 [0,2,0,0,0,0|0,0,2]=4 4130 B13R1.3 N#Cc1ccc(NCC(=O)O)cc1 Amb4598569 [0,2,0,0,0,0|1,0,1]=4 4131 B13R1.3 N#Cc1ccc(OCC(=O)O)cc1 Amb1102809 [0,2,0,0,0,0|1,0,1]=4 4132 B13R1.3 N#Cc1ccc(SCC(=O)O)cc1 Amb33534094 [0,2,0,0,0,0|1,0,1]=4 4133 B13R1.3 N#Cc1ccc(\C=C/[N+](=O)[O-])cc1 Amb2612399 [0,2,0,0,0,0|1,0,1]=4 4134 B13R1.3 N#Cc1ccc(\C=C\C(=O)Cl)cc1 Amb27494662 [0,2,0,0,0,0|1,0,0]=3 4135 B13R1.3 N#Cc1ccc(\C=C\C(=O)O)cc1 Amb24078560 [0,2,0,0,0,0|0,0,0]=2 4136 B13R1.3 N#Cc1ccc(\C=C\C(N)=O)cc1 Amb4333297 [0,2,0,0,0,0|1,0,0]=3 4137 B13R1.3 N#Cc1ccc(\C=C\[N+](=O)[O-])cc1 Amb6298413 [0,2,0,0,0,0|1,0,1]=4 4138 B13R1.3 N#[N+]c1ccc(\C=C\C(=O)O)cc1 Amb26856326 [0,2,0,0,0,0|0,0,0]=2 4139 B13R1.3 NCc1ccc(CCC(=O)O)cc1 Amb24308981 [0,2,0,0,0,0|0,0,2]=4 4140 B13R1.3 NCc1ccc(CCC(=O)O)cc1 Amb33553607 [0,2,0,0,0,0|0,0,2]=4 4141 B13R1.3 NCc1ccc(NCC(=O)O)cc1 Amb27232892 [0,2,0,0,0,0|1,0,1]=4 4142 B13R1.3 NCc1ccc(\C=C\C(=O)O)cc1 Amb27166960 [0,2,0,0,0,0|0,0,0]=2 4143 B13R1.3 NNc1ccc(CCC(=O)O)cc1 Amb10879880 [0,2,0,0,0,0|0,0,2]=4 4144 B13R1.3 NNc1ccc(CCC(=O)O)cc1 Amb22394872 [0,2,0,0,0,0|0,0,2]=4 4145 B13R1.3 NNc1ccc(OCC(=O)O)cc1 Amb4407752 [0,2,0,0,0,0|1,0,1]=4 4146 B13R1.3 O=C(O)CCc1ccc(CO)cc1 Amb17477609 [0,2,0,0,0,0|0,0,2]=4 4147 B13R1.3 O=C(O)COc1ccc(CO)cc1 Amb2592792 [0,2,0,0,0,0|1,0,1]=4 4148 B13R1.3 O=C(O)\C=C\c1ccc(CBr)cc1 Amb26939689 [0,2,0,0,0,0|0,0,0]=2 4149 B13R1.3 O=Cc1ccc(C#CC(=O)O)cc1 Amb24368220 [0,2,0,0,0,0|0,0,2]=4 4150 B13R1.3 O=Cc1ccc(CCC(=O)O)cc1 Amb10603643 [0,2,0,0,0,0|0,0,2]=4 4151 B13R1.3 O=Cc1ccc(OCC(=O)O)cc1 Amb6352632 [0,2,0,0,0,0|1,0,1]=4 4152 B13R1.3 O=Cc1ccc(\C=C\C(=O)Cl)cc1 Amb24670350 [0,2,0,0,0,0|1,0,0]=3 4153 B13R1.3 O=Cc1ccc(\C=C\C(=O)O)cc1 Amb8513778 [0,2,0,0,0,0|0,0,0]=2 4154 B13R1.3 O=Cc1ccc(\C=C\[N+](=O)[O-])cc1 Amb27779247 [0,2,0,0,0,0|1,0,1]=4 4155 B13R1.3 O=Nc1ccc(\C=C\C(=O)O)cc1 Amb27419965 [0,2,0,0,0,0|0,0,0]=2 4156 B13R1.14 C#CC(O)\C=C\c1ccc(N)cc1 Amb35622664 [0,2,0,0,0,0|1,0,1]=4 4157 B13R1.14 C=C(\C=C\c1ccc(F)cc1)CBr Amb33335990 [0,2,0,0,0,0|2,0,0]=4 4158 B13R1.14 C=C(\C=C\c1ccc(F)cc1)CCl Amb33260281 [0,2,0,0,0,0|2,0,0]=4 4159 B13R1.14 C=C(\C=C\c1ccc(F)cc1)CN Amb33202422 [0,2,0,0,0,0|2,0,0]=4 4160 B13R1.14 C=CC(=O)\C=C\c1ccc(Br)cc1 Amb33503229 [0,2,0,0,0,0|1,0,0]=3 4161 B13R1.14 C=CC(=O)\C=C\c1ccc(C)cc1 Amb33503115 [0,2,0,0,0,0|1,0,0]=3 4162 B13R1.14 C=CC(=O)\C=C\c1ccc(Cl)cc1 Amb20248598 [0,2,0,0,0,0|1,0,0]=3 4163 B13R1.14 C=CC(=O)\C=C\c1ccc(F)cc1 Amb33503230 [0,2,0,0,0,0|1,0,0]=3 4164 B13R1.14 C=CC(O)\C=C\c1ccc(Cl)cc1 Amb27589734 [0,2,0,0,0,0|1,0,1]=4 4165 B13R1.14 C=CC(O)\C=C\c1ccc(F)cc1 Amb33429807 [0,2,0,0,0,0|1,0,1]=4 4166 B13R1.14 C=CC(O)\C=C\c1ccc(N)cc1 Amb35622550 [0,2,0,0,0,0|1,0,1]=4 4167 B13R1.14 CC(=C=Cc1ccc(Cl)cc1)CO Amb27394812 [0,2,0,0,0,0|1,0,1]=4 4168 B13R1.14 CC(C=O)\C=C\c1ccc(F)cc1 Amb33202427 [0,2,0,0,0,0|1,0,1]=4 4169 B13R1.14 CC(\C=C\c1ccc(F)cc1)ON Amb33202745 [0,2,0,0,0,0|1,0,1]=4 4170 B13R1.14 CCC(=O)\C=C\c1ccc(C)cc1 Amb26570561 [0,2,0,0,0,0|1,0,0]=3 4171 B13R1.14 CCC(O)\C=C\c1ccc(N)cc1 Amb35622610 [0,2,0,0,0,0|1,0,1]=4 4172 B13R1.14 CNC(=O)\C=C\c1ccc(C)cc1 Amb3709791 [0,2,0,0,0,0|1,0,0]=3 4173 B13R1.14 CNC(=O)\C=C\c1ccc(F)cc1 Amb3652110 [0,2,0,0,0,0|1,0,0]=3 4174 B13R1.14 CNC(=O)\C=C\c1ccc(N)cc1 Amb19844255 [0,2,0,0,0,0|1,0,0]=3 4175 B13R1.14 CNC(=O)\C=C\c1ccc(O)cc1 Amb27602328 [0,2,0,0,0,0|1,0,0]=3 4176 B13R1.14 COC(=O)C#Cc1ccc(Br)cc1 Amb2610346 [0,2,0,0,0,0|0,0,2]=4 4177 B13R1.14 COC(=O)C#Cc1ccc(C)cc1 Amb25897551 [0,2,0,0,0,0|0,0,2]=4 4178 B13R1.14 COC(=O)C#Cc1ccc(Cl)cc1 Amb2616309 [0,2,0,0,0,0|0,0,2]=4 4179 B13R1.14 COC(=O)C#Cc1ccc(F)cc1 Amb25726510 [0,2,0,0,0,0|0,0,2]=4 4180 B13R1.14 COC(=O)C#Cc1ccc(N)cc1 Amb25257395 [0,2,0,0,0,0|0,0,2]=4 4181 B13R1.14 COC(=O)C#Cc1ccc(O)cc1 Amb25262685 [0,2,0,0,0,0|0,0,2]=4 4182 B13R1.14 COC(=O)CCc1ccc(Br)cc1 Amb15692693 [0,2,0,0,0,0|0,0,2]=4 4183 B13R1.14 COC(=O)CCc1ccc(C)cc1 Amb17400662 [0,2,0,0,0,0|0,0,2]=4 4184 B13R1.14 COC(=O)CCc1ccc(Cl)cc1 Amb1093990 [0,2,0,0,0,0|0,0,2]=4 4185 B13R1.14 COC(=O)CCc1ccc(F)cc1 Amb17400909 [0,2,0,0,0,0|0,0,2]=4 4186 B13R1.14 COC(=O)CCc1ccc(I)cc1 Amb30640065 [0,2,0,0,0,0|0,0,2]=4 4187 B13R1.14 COC(=O)CCc1ccc(N)cc1 Amb33801551 [0,2,0,0,0,0|0,0,2]=4 4188 B13R1.14 COC(=O)CCc1ccc(N)cc1 Amb4317820 [0,2,0,0,0,0|0,0,2]=4 4189 B13R1.14 COC(=O)CCc1ccc(O)cc1 Amb3939191 [0,2,0,0,0,0|0,0,2]=4 4190 B13R1.14 COC(=O)CNc1ccc(Br)cc1 Amb1921801 [0,2,0,0,0,0|1,0,1]=4 4191 B13R1.14 COC(=O)CNc1ccc(C)cc1 Amb6714107 [0,2,0,0,0,0|1,0,1]=4 4192 B13R1.14 COC(=O)CNc1ccc(Cl)cc1 Amb6711990 [0,2,0,0,0,0|1,0,1]=4 4193 B13R1.14 COC(=O)CNc1ccc(F)cc1 Amb6712342 [0,2,0,0,0,0|1,0,1]=4 4194 B13R1.14 COC(=O)CNc1ccc(N)cc1 Amb7767916 [0,2,0,0,0,0|1,0,1]=4 4195 B13R1.14 COC(=O)CNc1ccc(O)cc1 Amb10604010 [0,2,0,0,0,0|1,0,1]=4 4196 B13R1.14 COC(=O)CNc1ccc(O)cc1 Amb10604138 [0,2,0,0,0,0|1,0,1]=4 4197 B13R1.14 COC(=O)COc1ccc(Br)cc1 Amb6361342 [0,2,0,0,0,0|1,0,1]=4 4198 B13R1.14 COC(=O)COc1ccc(C)cc1 Amb844177 [0,2,0,0,0,0|1,0,1]=4 4199 B13R1.14 COC(=O)COc1ccc(Cl)cc1 Amb7102572 [0,2,0,0,0,0|1,0,1]=4 4200 B13R1.14 COC(=O)COc1ccc(F)cc1 Amb7752952 [0,2,0,0,0,0|1,0,1]=4 4201 B13R1.14 COC(=O)COc1ccc(I)cc1 Amb1929651 [0,2,0,0,0,0|1,0,1]=4 4202 B13R1.14 COC(=O)COc1ccc(N)cc1 Amb23385314 [0,2,0,0,0,0|1,0,1]=4 4203 B13R1.14 COC(=O)COc1ccc(N)cc1 Amb6372983 [0,2,0,0,0,0|1,0,1]=4 4204 B13R1.14 COC(=O)COc1ccc(O)cc1 Amb10975204 [0,2,0,0,0,0|1,0,1]=4 4205 B13R1.14 COC(=O)CSc1ccc(Cl)cc1 Amb6383264 [0,2,0,0,0,0|1,0,1]=4 4206 B13R1.14 COC(=O)CSc1ccc(N)cc1 Amb8930379 [0,2,0,0,0,0|1,0,1]=4 4207 B13R1.14 COC(=O)CSc1ccc(O)cc1 Amb18321905 [0,2,0,0,0,0|1,0,1]=4 4208 B13R1.14 COC(=O)NCc1ccc(Br)cc1 Amb25101223 [0,2,0,0,0,0|1,0,1]=4 4209 B13R1.14 COC(=O)NCc1ccc(C)cc1 Amb17869525 [0,2,0,0,0,0|1,0,1]=4 4210 B13R1.14 COC(=O)NCc1ccc(Cl)cc1 Amb6498503 [0,2,0,0,0,0|1,0,1]=4 4211 B13R1.14 COC(=O)NCc1ccc(F)cc1 Amb17860018 [0,2,0,0,0,0|1,0,1]=4 4212 B13R1.14 COC(=O)NCc1ccc(N)cc1 Amb8390013 [0,2,0,0,0,0|1,0,1]=4 4213 B13R1.14 COC(=O)NNc1ccc(Br)cc1 Amb28047452 [0,2,0,0,0,0|2,0,0]=4 4214 B13R1.14 COC(=O)NNc1ccc(Cl)cc1 Amb27603308 [0,2,0,0,0,0|2,0,0]=4 4215 B13R1.14 COC(=O)NSc1ccc(N)cc1 Amb27209585 [0,2,0,0,0,0|2,0,0]=4 4216 B13R1.14 COC(=O)\C=C/c1ccc(Cl)cc1 Amb26857585 [0,2,0,0,0,0|0,0,0]=2 4217 B13R1.14 COC(=O)\C=C\c1ccc(Br)cc1 Amb13883656 [0,2,0,0,0,0|0,0,0]=2 4218 B13R1.14 COC(=O)\C=C\c1ccc(Br)cn1 Amb25368788 [0,2,0,0,0,0|1,0,0]=3 4219 B13R1.14 COC(=O)\C=C\c1ccc(Br)nc1 Amb27449840 [0,2,0,0,0,0|1,0,0]=3 4220 B13R1.14 COC(=O)\C=C\c1ccc(C)cc1 Amb17844465 [0,2,0,0,0,0|0,0,0]=2 4221 B13R1.14 COC(=O)\C=C\c1ccc(C)cn1 Amb25079372 [0,2,0,0,0,0|1,0,0]=3 4222 B13R1.14 COC(=O)\C=C\c1ccc(Cl)cc1 Amb33513295 [0,2,0,0,0,0|0,0,0]=2 4223 B13R1.14 COC(=O)\C=C\c1ccc(Cl)cn1 Amb25047046 [0,2,0,0,0,0|1,0,0]=3 4224 B13R1.14 COC(=O)\C=C\c1ccc(Cl)nc1 Amb2196616 [0,2,0,0,0,0|1,0,0]=3 4225 B13R1.14 COC(=O)\C=C\c1ccc(F)cc1 Amb33997710 [0,2,0,0,0,0|0,0,0]=2 4226 B13R1.14 COC(=O)\C=C\c1ccc(F)nc1 Amb32645870 [0,2,0,0,0,0|1,0,0]=3 4227 B13R1.14 COC(=O)\C=C\c1ccc(N)cc1 Amb2697308 [0,2,0,0,0,0|0,0,0]=2 4228 B13R1.14 COC(=O)\C=C\c1ccc(N)nc1 Amb24558350 [0,2,0,0,0,0|1,0,0]=3 4229 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 Amb845412 [0,2,0,0,0,0|0,0,0]=2 4230 B13R1.14 COC(=O)\C=C\c1ccc(O)nc1 Amb31156089 [0,2,0,0,0,0|1,0,0]=3 4231 B13R1.14 COC(=O)\C=C\c1ccc(S)cc1 Amb17616841 [0,2,0,0,0,0|0,0,0]=2 4232 B13R1.14 COC(=O)\C=C\c1cnc(N)nc1 Amb27863620 [0,2,0,0,0,0|2,0,0]=4 4233 B13R1.14 COC(=O)\N=C\c1ccc(F)cc1 Amb27843428 [0,2,0,0,0,0|1,0,0]=3 4234 B13R1.14 CSC(=O)\C=C\c1ccc(O)cc1 Amb26984781 [0,2,0,0,0,0|0,1,0]=3 4235 B13R1.14 C\C(=C\Cc1ccc(O)cc1)CO Amb28052328 [0,2,0,0,0,0|1,0,1]=4 4236 B13R1.14 C\C(C=O)=C\Nc1ccc(Cl)cc1 Amb27463203 [0,2,0,0,0,0|2,0,0]=4 4237 B13R1.14 Cc1ccc(CCC(=O)CO)cc1 Amb18065754 [0,2,0,0,0,0|0,0,2]=4 4238 B13R1.14 Cc1ccc(CNC(=O)CO)cc1 Amb9421688 [0,2,0,0,0,0|1,0,1]=4 4239 B13R1.14 Cc1ccc(OCC(=O)CO)cc1 Amb18065912 [0,2,0,0,0,0|1,0,1]=4 4240 B13R1.14 Cc1ccc(OCC(=O)NO)cc1 Amb17233783 [0,2,0,0,0,0|1,0,1]=4 4241 B13R1.14 Cc1ccc(\C=C\C(=O)CCl)cc1 Amb27144050 [0,2,0,0,0,0|1,0,0]=3 4242 B13R1.14 NC(\C=C\c1ccc(F)cc1)=N\O Amb27477774 [0,2,0,0,0,0|1,0,0]=3 4243 B13R1.14 NC(\C=C\c1ccc(F)cc1)CO Amb33326912 [0,2,0,0,0,0|1,0,1]=4 4244 B13R1.14 NCC(=O)\C=C\c1ccc(F)cc1 Amb33418855 [0,2,0,0,0,0|1,0,0]=3 4245 B13R1.14 NCC(O)\C=C\c1ccc(F)cc1 Amb32953762 [0,2,0,0,0,0|1,0,1]=4 4246 B13R1.14 NC[C@@H](O)\C=C\c1ccc(F)cc1 Amb33326568 [0,2,0,0,0,0|1,0,1]=4 4247 B13R1.14 NC[C@H](O)\C=C\c1ccc(F)cc1 Amb33326569 [0,2,0,0,0,0|1,0,1]=4 4248 B13R1.14 NNC(=O)\C=C\c1ccc(F)cc1 Amb16207876 [0,2,0,0,0,0|1,0,0]=3 4249 B13R1.14 NNC(=O)\C=C\c1ccc(O)cc1 Amb2612877 [0,2,0,0,0,0|1,0,0]=3 4250 B13R1.14 N[C@@H](\C=C\c1ccc(F)cc1)CO Amb33326566 [0,2,0,0,0,0|1,0,1]=4 4251 B13R1.14 N[C@H](\C=C\c1ccc(F)cc1)CO Amb33326565 [0,2,0,0,0,0|1,0,1]=4 4252 B13R1.14 Nc1ccc(CCC(=O)NO)cc1 Amb24494088 [0,2,0,0,0,0|0,0,2]=4 4253 B13R1.14 Nc1ccc(CCC(=O)NO)cc1 Amb33422023 [0,2,0,0,0,0|0,0,2]=4 4254 B13R1.14 O=C(CCc1ccc(Br)cc1)NO Amb27946083 [0,2,0,0,0,0|0,0,2]=4 4255 B13R1.14 O=C(CCc1ccc(Cl)cc1)NO Amb28078489 [0,2,0,0,0,0|0,0,2]=4 4256 B13R1.14 O=C(CCc1ccc(O)cc1)NO Amb27599352 [0,2,0,0,0,0|0,0,2]=4 4257 B13R1.14 O=C(CO)CCc1ccc(Br)cc1 Amb18071391 [0,2,0,0,0,0|0,0,2]=4 4258 B13R1.14 O=C(CO)CCc1ccc(Cl)cc1 Amb18566076 [0,2,0,0,0,0|0,0,2]=4 4259 B13R1.14 O=C(CO)CCc1ccc(F)cc1 Amb18066060 [0,2,0,0,0,0|0,0,2]=4 4260 B13R1.14 O=C(CO)COc1ccc(Br)cc1 Amb18072017 [0,2,0,0,0,0|1,0,1]=4 4261 B13R1.14 O=C(CO)COc1ccc(Cl)cc1 Amb18566286 [0,2,0,0,0,0|1,0,1]=4 4262 B13R1.14 O=C(CO)COc1ccc(F)cc1 Amb18066127 [0,2,0,0,0,0|1,0,1]=4 4263 B13R1.14 O=C(CO)NCc1ccc(Br)cc1 Amb17410952 [0,2,0,0,0,0|1,0,1]=4 4264 B13R1.14 O=C(CO)NCc1ccc(Cl)cc1 Amb1228441 [0,2,0,0,0,0|1,0,1]=4 4265 B13R1.14 O=C(CO)NCc1ccc(F)cc1 Amb9421661 [0,2,0,0,0,0|1,0,1]=4 4266 B13R1.14 O=C(CO)NCc1ccc(O)cc1 Amb27763582 [0,2,0,0,0,0|1,0,1]=4 4267 B13R1.14 O=C(CO)NNc1ccc(F)cc1 Amb27467132 [0,2,0,0,0,0|2,0,0]=4 4268 B13R1.14 O=C(COc1ccc(Cl)cc1)NO Amb6261605 [0,2,0,0,0,0|1,0,1]=4 4269 B13R1.14 O=C(COc1ccc(F)cc1)NO Amb28280726 [0,2,0,0,0,0|1,0,1]=4 4270 B13R1.14 O=C(COc1ccc(I)cc1)NO Amb27751507 [0,2,0,0,0,0|1,0,1]=4 4271 B13R1.14 O=C(CSc1ccc(Cl)cc1)NO Amb27826041 [0,2,0,0,0,0|1,0,1]=4 4272 B13R1.14 O=C(\C=C\c1ccc(Cl)cc1)NO Amb8371006 [0,2,0,0,0,0|0,0,0]=2 4273 B13R1.14 O=C(\C=C\c1ccc(F)cc1)CCl Amb33262390 [0,2,0,0,0,0|1,0,0]=3 4274 B13R1.14 O=C(\C=C\c1ccc(F)cc1)NO Amb28045585 [0,2,0,0,0,0|0,0,0]=2 4275 B13R1.14 O=C(\C=C\c1ccc(O)cc1)NO Amb24722969 [0,2,0,0,0,0|0,0,0]=2 4276 B13R1.14 O=CC(=O)\C=C\c1ccc(Cl)cc1 Amb25212273 [0,2,0,0,0,0|0,0,1]=3 4277 B13R1.14 O=C\C(O)=C/Nc1ccc(Cl)cc1 Amb27875099 [0,2,0,0,0,0|1,0,0]=3 4278 B13R1.14 O=C\C(O)=C/Nc1ccc(O)cc1 Amb27984998 [0,2,0,0,0,0|1,0,0]=3 4279 B13R1.14 OC(\C=C\c1ccc(F)cc1)CBr Amb33335960 [0,2,0,0,0,0|1,0,1]=4 4280 B13R1.14 OC(\C=C\c1ccc(F)cc1)CCl Amb33260269 [0,2,0,0,0,0|1,0,1]=4 4281 B13R1.14 OC(\C=C\c1ccc(F)cc1)CF Amb33202426 [0,2,0,0,0,0|1,0,1]=4 4282 B13R1.14 OCC(O)\C=C\c1ccc(F)cc1 Amb33358573 [0,2,0,0,0,0|0,0,2]=4 4283 B13R1.132 C=C(CC(=O)O)c1ccc(Cl)cc1 Amb18130356 [0,2,0,0,0,0|0,0,1]=3 4284 B13R1.132 C=C(CC(=O)O)c1ccc(F)cc1 Amb27491015 [0,2,0,0,0,0|0,0,1]=3 4285 B13R1.132 C=C(NC(C)=O)c1ccc(Br)cc1 Amb22270447 [0,2,0,0,0,0|2,0,0]=4 4286 B13R1.132 C=C(NC(C)=O)c1ccc(C)cc1 Amb25289157 [0,2,0,0,0,0|2,0,0]=4 4287 B13R1.132 C=C(NC(C)=O)c1ccc(Cl)cc1 Amb8394359 [0,2,0,0,0,0|2,0,0]=4 4288 B13R1.132 C=C(NC(C)=O)c1ccc(F)cc1 Amb27401181 [0,2,0,0,0,0|2,0,0]=4 4289 B13R1.132 CC(=O)CC(=O)c1ccc(Br)cc1 Amb433065 [0,2,0,0,0,0|1,0,1]=4 4290 B13R1.132 CC(=O)CC(=O)c1ccc(C)cc1 Amb1209108 [0,2,0,0,0,0|1,0,1]=4 4291 B13R1.132 CC(=O)CC(=O)c1ccc(Cl)cc1 Amb369962 [0,2,0,0,0,0|1,0,1]=4 4292 B13R1.132 CC(=O)CC(=O)c1ccc(F)cc1 Amb379515 [0,2,0,0,0,0|1,0,1]=4 4293 B13R1.132 CC(=O)CC(=O)c1ccc(I)cc1 Amb25040567 [0,2,0,0,0,0|1,0,1]=4 4294 B13R1.132 CC(=O)CC(=O)c1ccc(N)cc1 Amb985049 [0,2,0,0,0,0|1,0,1]=4 4295 B13R1.132 CC(=O)CC(=O)c1ccc(O)cc1 Amb18128073 [0,2,0,0,0,0|1,0,1]=4 4296 B13R1.132 CC(=O)NC(=O)c1ccc(Br)cc1 Amb27445328 [0,2,0,0,0,0|2,0,0]=4 4297 B13R1.132 CC(=O)NC(=O)c1ccc(C)cc1 Amb27268533 [0,2,0,0,0,0|2,0,0]=4 4298 B13R1.132 CC(=O)NC(=O)c1ccc(F)cc1 Amb18178968 [0,2,0,0,0,0|2,0,0]=4 4299 B13R1.132 CC(=O)NC(=O)c1ccc(O)cc1 Amb18128318 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.132 CC(=O)\C=C(/C)c1ccc(C)cc1 Amb27859364 [0,2,0,0,0,0|1,0,0]=3 4301 B13R1.132 CC(=O)\C=C(/O)c1ccc(Cl)cc1 Amb9788486 [0,2,0,0,0,0|1,0,0]=3 4302 B13R1.132 CC(=O)\C=C(\C)c1ccc(Br)cc1 Amb28122713 [0,2,0,0,0,0|1,0,0]=3 4303 B13R1.132 CC(=O)\C=C(\C)c1ccc(Br)cn1 Amb35676543 [0,2,0,0,0,0|2,0,0]=4 4304 B13R1.132 CC(=O)\C=C(\C)c1ccc(Cl)cc1 Amb28351829 [0,2,0,0,0,0|1,0,0]=3 4305 B13R1.132 CC(=O)\C=C(\C)c1ccc(Cl)cn1 Amb35676542 [0,2,0,0,0,0|2,0,0]=4 4306 B13R1.132 CC(=O)\C=C(\N)c1ccc(Cl)cc1 Amb28052034 [0,2,0,0,0,0|1,0,0]=3 4307 B13R1.132 CC(C)=CC(=O)c1ccc(Br)cc1 Amb27231409 [0,2,0,0,0,0|2,0,0]=4 4308 B13R1.132 CC(C)=CC(=O)c1ccc(C)cc1 Amb4019872 [0,2,0,0,0,0|2,0,0]=4 4309 B13R1.132 CC(C)=CC(=O)c1ccc(F)cc1 Amb24567517 [0,2,0,0,0,0|2,0,0]=4 4310 B13R1.132 CC(C)=CC(=O)c1ccc(I)cc1 Amb27206902 [0,2,0,0,0,0|2,0,0]=4 4311 B13R1.132 CC(CC(=O)O)c1ccc(Br)cc1 Amb6382816 [0,2,0,0,0,0|0,0,2]=4 4312 B13R1.132 CC(CC(=O)O)c1ccc(Cl)cc1 Amb4011197 [0,2,0,0,0,0|0,0,2]=4 4313 B13R1.132 CC(CC(=O)O)c1ccc(F)cc1 Amb5738630 [0,2,0,0,0,0|0,0,2]=4 4314 B13R1.132 CC(CC(=O)O)c1ccc(N)cc1 Amb26304198 [0,2,0,0,0,0|0,0,2]=4 4315 B13R1.132 CC(CC(=O)O)c1ccc(O)cc1 Amb540709 [0,2,0,0,0,0|0,0,2]=4 4316 B13R1.132 CN(CC(=O)O)c1ccc(Br)cc1 Amb17349669 [0,2,0,0,0,0|1,0,1]=4 4317 B13R1.132 CN(CC(=O)O)c1ccc(Cl)cc1 Amb17337480 [0,2,0,0,0,0|1,0,1]=4 4318 B13R1.132 CN(CC(=O)O)c1ccc(Cl)cc1 Amb33204471 [0,2,0,0,0,0|1,0,1]=4 4319 B13R1.132 CN(CC(=O)O)c1ccc(F)cc1 Amb17335598 [0,2,0,0,0,0|1,0,1]=4 4320 B13R1.132 CN(CC(=O)O)c1ccc(I)cc1 Amb22967152 [0,2,0,0,0,0|1,0,1]=4 4321 B13R1.132 CN(CC(=O)O)c1ccc(N)cc1 Amb18990916 [0,2,0,0,0,0|1,0,1]=4 4322 B13R1.132 C[C@@H](CC(=O)O)c1ccc(Cl)cc1 Amb25924494 [0,2,0,0,0,0|0,0,2]=4 4323 B13R1.132 C[C@@H](CC(=O)O)c1ccc(O)cc1 Amb28320785 [0,2,0,0,0,0|0,0,2]=4 4324 B13R1.132 C[C@H](CC(=O)O)c1ccc(Cl)cc1 Amb25288141 [0,2,0,0,0,0|0,0,2]=4 4325 B13R1.132 C[C@H](CC(=O)O)c1ccc(F)cc1 Amb22225229 [0,2,0,0,0,0|0,0,2]=4 4326 B13R1.132 C[n+]1ccc(\C([O-])=C\C(N)=O)cc1 Amb28250107 [0,2,0,0,0,0|2,0,0]=4 4327 B13R1.132 C\C(=C/C(=O)O)c1ccc(Br)cc1 Amb6749183 [0,2,0,0,0,0|0,0,0]=2 4328 B13R1.132 C\C(=C/C(=O)O)c1ccc(C)cc1 Amb18015298 [0,2,0,0,0,0|0,0,0]=2 4329 B13R1.132 C\C(=C/C(=O)O)c1ccc(Cl)cc1 Amb5738391 [0,2,0,0,0,0|0,0,0]=2 4330 B13R1.132 C\C(=C/C(=O)O)c1ccc(F)cc1 Amb5738390 [0,2,0,0,0,0|0,0,0]=2 4331 B13R1.132 C\C(=C/[N+](=O)[O-])c1ccc(S)cc1 Amb27463981 [0,2,0,0,0,0|1,0,1]=4 4332 B13R1.132 C\C(=C\C(=O)Cl)c1ccc(C)cc1 Amb27233907 [0,2,0,0,0,0|1,0,0]=3 4333 B13R1.132 C\C(=C\C(=O)O)c1ccc(Br)cn1 Amb35669507 [0,2,0,0,0,0|1,0,0]=3 4334 B13R1.132 C\C(=C\C(=O)O)c1ccc(Cl)cn1 Amb35702330 [0,2,0,0,0,0|1,0,0]=3 4335 B13R1.132 C\C(=C\C(=O)O)c1ccc(F)cn1 Amb28070167 [0,2,0,0,0,0|1,0,0]=3 4336 B13R1.132 C\C(=C\C(=O)O)c1ccc(I)cc1 Amb28314759 [0,2,0,0,0,0|0,0,0]=2 4337 B13R1.132 C\C(=C\C(C)O)c1ccc(C)cc1 Amb27834437 [0,2,0,0,0,0|1,0,1]=4 4338 B13R1.132 C\C(=C\C(C)O)c1ccc(Cl)cc1 Amb27970634 [0,2,0,0,0,0|1,0,1]=4 4339 B13R1.132 C\C(=C\C(N)=O)c1ccc(C)cc1 Amb28244770 [0,2,0,0,0,0|1,0,0]=3 4340 B13R1.132 C\C(N)=C\C(=O)c1ccc(Br)cc1 Amb27617894 [0,2,0,0,0,0|2,0,0]=4 4341 B13R1.132 C\C(N)=C\C(=O)c1ccc(C)cc1 Amb25253088 [0,2,0,0,0,0|2,0,0]=4 4342 B13R1.132 C\C(N)=C\C(=O)c1ccc(F)cc1 Amb26880811 [0,2,0,0,0,0|2,0,0]=4 4343 B13R1.132 C\C(O)=C\C(=O)c1ccc(O)cc1 Amb25860094 [0,2,0,0,0,0|1,0,0]=3 4344 B13R1.132 Cc1ccc(C(=O)C=C(S)S)cc1 Amb21952765 [0,2,0,0,0,0|0,2,0]=4 4345 B13R1.132 Cc1ccc(C(=O)NC(N)=O)cc1 Amb27797026 [0,2,0,0,0,0|2,0,0]=4 4346 B13R1.132 Cc1ccc(C(C)CC(=O)O)cc1 Amb33528472 [0,2,0,0,0,0|0,0,2]=4 4347 B13R1.132 Cc1ccc(C(N)CC(=O)O)cc1 Amb9730100 [0,2,0,0,0,0|0,0,2]=4 4348 B13R1.132 Cc1ccc(C(O)CC(=O)O)cc1 Amb17233660 [0,2,0,0,0,0|0,0,2]=4 4349 B13R1.132 Cc1ccc(N(C)CC(=O)O)cc1 Amb17335310 [0,2,0,0,0,0|1,0,1]=4 4350 B13R1.132 Cc1ccc([C@@H](C)CC(=O)O)cc1 Amb27984685 [0,2,0,0,0,0|0,0,2]=4 4351 B13R1.132 Cc1ccc([C@@H](N)CC(=O)O)cc1 Amb18180924 [0,2,0,0,0,0|0,0,2]=4 4352 B13R1.132 Cc1ccc([C@@H](O)CC(=O)O)cc1 Amb25963226 [0,2,0,0,0,0|0,0,2]=4 4353 B13R1.132 Cc1ccc([C@H](N)CC(=O)O)cc1 Amb19515963 [0,2,0,0,0,0|0,0,2]=4 4354 B13R1.132 Cc1ccc([C@H](O)CC(=O)O)cc1 Amb26844477 [0,2,0,0,0,0|0,0,2]=4 4355 B13R1.132 Cc1ccc(\C(N)=N\C(N)=O)cc1 Amb27231772 [0,2,0,0,0,0|2,0,0]=4 4356 B13R1.132 Cc1ccc(\C(O)=C\C(=O)O)cc1 Amb27791476 [0,2,0,0,0,0|0,0,0]=2 4357 B13R1.132 NC(=O)CC(=O)c1ccc(F)cc1 Amb2736091 [0,2,0,0,0,0|1,0,1]=4 4358 B13R1.132 NC(=O)NC(=O)c1ccc(F)cc1 Amb28316591 [0,2,0,0,0,0|2,0,0]=4 4359 B13R1.132 NC(=O)NC(=O)c1ccc(N)cc1 Amb25053319 [0,2,0,0,0,0|2,0,0]=4 4360 B13R1.132 NC(=O)NC(=O)c1ccc(O)cc1 Amb27870023 [0,2,0,0,0,0|2,0,0]=4 4361 B13R1.132 NC(CC(=O)O)c1ccc(Br)cc1 Amb1058721 [0,2,0,0,0,0|0,0,2]=4 4362 B13R1.132 NC(CC(=O)O)c1ccc(Br)cc1 Amb8566767 [0,2,0,0,0,0|0,0,2]=4 4363 B13R1.132 NC(CC(=O)O)c1ccc(Cl)cc1 Amb1014114 [0,2,0,0,0,0|0,0,2]=4 4364 B13R1.132 NC(CC(=O)O)c1ccc(F)cc1 Amb9730101 [0,2,0,0,0,0|0,0,2]=4 4365 B13R1.132 NC(CC(=O)O)c1ccc(I)cc1 Amb3948413 [0,2,0,0,0,0|0,0,2]=4 4366 B13R1.132 NC(CC(=O)O)c1ccc(O)cc1 Amb9760400 [0,2,0,0,0,0|0,0,2]=4 4367 B13R1.132 NC(CC(=O)O)c1ccc(S)cc1 Amb27488669 [0,2,0,0,0,0|0,0,2]=4 4368 B13R1.132 N[C@@H](CC(=O)O)c1ccc(Br)cc1 Amb19373087 [0,2,0,0,0,0|0,0,2]=4 4369 B13R1.132 N[C@@H](CC(=O)O)c1ccc(Br)cc1 Amb19888496 [0,2,0,0,0,0|0,0,2]=4 4370 B13R1.132 N[C@@H](CC(=O)O)c1ccc(Cl)cc1 Amb18319936 [0,2,0,0,0,0|0,0,2]=4 4371 B13R1.132 N[C@@H](CC(=O)O)c1ccc(F)cc1 Amb10603269 [0,2,0,0,0,0|0,0,2]=4 4372 B13R1.132 N[C@@H](CC(=O)O)c1ccc(I)cc1 Amb24598206 [0,2,0,0,0,0|0,0,2]=4 4373 B13R1.132 N[C@@H](CC(=O)O)c1ccc(O)cc1 Amb22226646 [0,2,0,0,0,0|0,0,2]=4 4374 B13R1.132 N[C@H](CC(=O)O)c1ccc(Br)cc1 Amb19887643 [0,2,0,0,0,0|0,0,2]=4 4375 B13R1.132 N[C@H](CC(=O)O)c1ccc(Br)cc1 Amb34136254 [0,2,0,0,0,0|0,0,2]=4 4376 B13R1.132 N[C@H](CC(=O)O)c1ccc(Cl)cc1 Amb19887651 [0,2,0,0,0,0|0,0,2]=4 4377 B13R1.132 N[C@H](CC(=O)O)c1ccc(F)cc1 Amb19515820 [0,2,0,0,0,0|0,0,2]=4 4378 B13R1.132 N[C@H](CC(=O)O)c1ccc(I)cc1 Amb26935811 [0,2,0,0,0,0|0,0,2]=4 4379 B13R1.132 N[C@H](CC(=O)O)c1ccc(O)cc1 Amb20240880 [0,2,0,0,0,0|0,0,2]=4 4380 B13R1.132 Nc1ccc(C(N)CC(=O)O)cc1 Amb28070025 [0,2,0,0,0,0|0,0,2]=4 4381 B13R1.132 Nc1ccc([C@H](N)CC(=O)O)cc1 Amb27257588 [0,2,0,0,0,0|0,0,2]=4 4382 B13R1.132 O=C(C=C(S)S)c1ccc(F)cc1 Amb2781395 [0,2,0,0,0,0|0,2,0]=4 4383 B13R1.132 O=C(O)CC(=O)c1ccc(F)cc1 Amb2699668 [0,2,0,0,0,0|0,0,1]=3 4384 B13R1.132 O=C(O)CC(=O)c1ccc(O)cc1 Amb25661319 [0,2,0,0,0,0|0,0,1]=3 4385 B13R1.132 O=C(O)CC(F)c1ccc(Cl)cc1 Amb27958900 [0,2,0,0,0,0|0,0,2]=4 4386 B13R1.132 O=C(O)CC(O)c1ccc(Cl)cc1 Amb17237174 [0,2,0,0,0,0|0,0,2]=4 4387 B13R1.132 O=C(O)CC(O)c1ccc(F)cc1 Amb17234055 [0,2,0,0,0,0|0,0,2]=4 4388 B13R1.132 O=C(O)CC(O)c1ccc(O)cc1 Amb18298162 [0,2,0,0,0,0|0,0,2]=4 4389 B13R1.132 O=C(O)CS(=O)c1ccc(Cl)cc1 Amb18979291 [0,2,0,0,0,0|1,0,1]=4 4390 B13R1.132 O=C(O)C[C@@H](O)c1ccc(Br)cc1 Amb33451498 [0,2,0,0,0,0|0,0,2]=4 4391 B13R1.132 O=C(O)C[C@@H](O)c1ccc(Cl)cc1 Amb24417996 [0,2,0,0,0,0|0,0,2]=4 4392 B13R1.132 O=C(O)C[C@@H](O)c1ccc(F)cc1 Amb26012190 [0,2,0,0,0,0|0,0,2]=4 4393 B13R1.132 O=C(O)C[C@@H](O)c1ccc(O)cc1 Amb33269542 [0,2,0,0,0,0|0,0,2]=4 4394 B13R1.132 O=C(O)C[C@H](O)c1ccc(Br)cc1 Amb33451496 [0,2,0,0,0,0|0,0,2]=4 4395 B13R1.132 O=C(O)C[C@H](O)c1ccc(Cl)cc1 Amb24759116 [0,2,0,0,0,0|0,0,2]=4 4396 B13R1.132 O=C(O)C[C@H](O)c1ccc(F)cc1 Amb24373818 [0,2,0,0,0,0|0,0,2]=4 4397 B13R1.132 O=C(O)C[C@H](O)c1ccc(O)cc1 Amb25228482 [0,2,0,0,0,0|0,0,2]=4 4398 B13R1.132 O=C(O)NC(=O)c1ccc(Cl)cc1 Amb32620325 [0,2,0,0,0,0|1,0,0]=3 4399 B13R1.132 O=C(O)\C=C(\Cl)c1ccc(Br)cc1 Amb27608929 [0,2,0,0,0,0|0,0,0]=2 4400 B13R1.132 O=C(O)\C=C(\O)c1ccc(Cl)cc1 Amb28343080 [0,2,0,0,0,0|0,0,0]=2 4401 B13R1.133 C=C(CN1C=CC(=O)C=C1)C(=O)O Amb27655484 [0,2,0,0,0,0|1,0,1]=4 4402 B13R1.133 C=C(Cc1ccc(Br)cc1)C(=O)O Amb27648751 [0,2,0,0,0,0|0,0,1]=3 4403 B13R1.133 C=C(Cc1ccc(F)cc1)C(=O)O Amb27232941 [0,2,0,0,0,0|0,0,1]=3 4404 B13R1.133 CC(=O)C(=O)Cc1ccc(Br)cc1 Amb23603629 [0,2,0,0,0,0|1,0,1]=4 4405 B13R1.133 CC(=O)C(=O)Cc1ccc(C)cc1 Amb23603620 [0,2,0,0,0,0|1,0,1]=4 4406 B13R1.133 CC(=O)C(=O)Cc1ccc(Cl)cc1 Amb23603627 [0,2,0,0,0,0|1,0,1]=4 4407 B13R1.133 CC(=O)C(=O)Cc1ccc(F)cc1 Amb23603622 [0,2,0,0,0,0|1,0,1]=4 4408 B13R1.133 CC(=O)C(=O)Nc1ccc(Br)cc1 Amb2383840 [0,2,0,0,0,0|2,0,0]=4 4409 B13R1.133 CC(=O)C(=O)Nc1ccc(C)cc1 Amb17400600 [0,2,0,0,0,0|2,0,0]=4 4410 B13R1.133 CC(=O)C(=O)Nc1ccc(Cl)cc1 Amb2421104 [0,2,0,0,0,0|2,0,0]=4 4411 B13R1.133 CC(=O)C(=O)Nc1ccc(F)cc1 Amb17400856 [0,2,0,0,0,0|2,0,0]=4 4412 B13R1.133 CC(=O)C(=O)Nc1ccc(I)cc1 Amb21949004 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.133 CC(=O)C(=S)Nc1ccc(Br)cc1 Amb21949008 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.133 CC(=O)C(=S)Nc1ccc(C)cc1 Amb21949011 [0,2,0,0,0,0|2,0,0]=4 4415 B13R1.133 CC(=O)C(=S)Nc1ccc(Cl)cc1 Amb21949007 [0,2,0,0,0,0|2,0,0]=4 4416 B13R1.133 CC(=O)C(=S)Nc1ccc(I)cc1 Amb21949009 [0,2,0,0,0,0|2,0,0]=4 4417 B13R1.133 CC(=O)\C(Br)=C\c1ccc(Cl)cc1 Amb2433257 [0,2,0,0,0,0|1,0,0]=3 4418 B13R1.133 CC(=O)\C(C)=C\c1ccc(Br)cc1 Amb27636305 [0,2,0,0,0,0|1,0,0]=3 4419 B13R1.133 CC(=O)\C(C)=C\c1ccc(Br)cn1 Amb27411612 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.133 CC(=O)\C(C)=C\c1ccc(C)nc1 Amb28388249 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.133 CC(=O)\C(C)=C\c1ccc(Cl)cc1 Amb27617723 [0,2,0,0,0,0|1,0,0]=3 4422 B13R1.133 CC(Cc1ccc(Br)cc1)C(=O)O Amb16185778 [0,2,0,0,0,0|0,0,2]=4 4423 B13R1.133 CC(Cc1ccc(Cl)cc1)C(=O)O Amb2785266 [0,2,0,0,0,0|0,0,2]=4 4424 B13R1.133 CC(Cc1ccc(F)cc1)C(=O)O Amb33534946 [0,2,0,0,0,0|0,0,2]=4 4425 B13R1.133 CC(Cc1ccc(N)cc1)C(=O)O Amb26304191 [0,2,0,0,0,0|0,0,2]=4 4426 B13R1.133 CC(Cc1ccc(O)cc1)C(=O)O Amb25798442 [0,2,0,0,0,0|0,0,2]=4 4427 B13R1.133 CC(Nc1ccc(Br)cc1)C(=O)O Amb840565 [0,2,0,0,0,0|1,0,1]=4 4428 B13R1.133 CC(Nc1ccc(Cl)cc1)C(=O)O Amb840562 [0,2,0,0,0,0|1,0,1]=4 4429 B13R1.133 CC(Nc1ccc(F)cc1)C(=O)O Amb9702106 [0,2,0,0,0,0|1,0,1]=4 4430 B13R1.133 CC(Nc1ccc(N)cc1)C(=O)O Amb25850201 [0,2,0,0,0,0|1,0,1]=4 4431 B13R1.133 CC(Nc1ccc(O)cc1)C(=O)O Amb27771791 [0,2,0,0,0,0|1,0,1]=4 4432 B13R1.133 CC(Oc1ccc(Br)cc1)C(=O)O Amb1215354 [0,2,0,0,0,0|1,0,1]=4 4433 B13R1.133 CC(Oc1ccc(Cl)cc1)C(=O)O Amb6336455 [0,2,0,0,0,0|1,0,1]=4 4434 B13R1.133 CC(Oc1ccc(F)cc1)C(=O)O Amb9702439 [0,2,0,0,0,0|1,0,1]=4 4435 B13R1.133 CC(Oc1ccc(I)cc1)C(=O)O Amb8831575 [0,2,0,0,0,0|1,0,1]=4 4436 B13R1.133 CC(Oc1ccc(N)cc1)C(=O)O Amb839766 [0,2,0,0,0,0|1,0,1]=4 4437 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O Amb2720531 [0,2,0,0,0,0|1,0,1]=4 4438 B13R1.133 CC(Oc1ccc(S)cc1)C(=O)O Amb27863432 [0,2,0,0,0,0|1,0,1]=4 4439 B13R1.133 CC(Sc1ccc(Br)cc1)C(=O)O Amb1115989 [0,2,0,0,0,0|1,0,1]=4 4440 B13R1.133 CC(Sc1ccc(Cl)cc1)C(=O)O Amb9745731 [0,2,0,0,0,0|1,0,1]=4 4441 B13R1.133 CC(Sc1ccc(F)cc1)C(=O)O Amb1115911 [0,2,0,0,0,0|1,0,1]=4 4442 B13R1.133 CC(Sc1ccc(N)cc1)C(=O)O Amb18975670 [0,2,0,0,0,0|1,0,1]=4 4443 B13R1.133 CC(Sc1ccc(N)cc1)C(=O)O Amb32652412 [0,2,0,0,0,0|1,0,1]=4 4444 B13R1.133 CC(Sc1ccc(O)cc1)C(=O)O Amb19000448 [0,2,0,0,0,0|1,0,1]=4 4445 B13R1.133 CS(=O)\C(Cl)=C\c1ccc(Br)cc1 Amb26995745 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.133 C[C@@H](Cc1ccc(Br)cc1)C(=O)O Amb10844183 [0,2,0,0,0,0|0,0,2]=4 4447 B13R1.133 C[C@@H](Cc1ccc(F)cc1)C(=O)O Amb10844187 [0,2,0,0,0,0|0,0,2]=4 4448 B13R1.133 C[C@@H](Nc1ccc(Cl)cc1)C(=O)O Amb24626586 [0,2,0,0,0,0|1,0,1]=4 4449 B13R1.133 C[C@@H](Oc1ccc(Cl)cc1)C(=O)O Amb27947480 [0,2,0,0,0,0|1,0,1]=4 4450 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O Amb4038211 [0,2,0,0,0,0|1,0,1]=4 4451 B13R1.133 C[C@@H](Sc1ccc(Cl)cc1)C(=O)O Amb27798366 [0,2,0,0,0,0|1,0,1]=4 4452 B13R1.133 C[C@H](Cc1ccc(F)cc1)C(=O)O Amb10844186 [0,2,0,0,0,0|0,0,2]=4 4453 B13R1.133 C[C@H](Cc1ccc(N)cc1)C(=O)O Amb10844177 [0,2,0,0,0,0|0,0,2]=4 4454 B13R1.133 C[C@H](Nc1ccc(Cl)cc1)C(=O)O Amb26032182 [0,2,0,0,0,0|1,0,1]=4 4455 B13R1.133 C[C@H](Nc1ccc(F)cc1)C(=O)O Amb24375534 [0,2,0,0,0,0|1,0,1]=4 4456 B13R1.133 C[C@H](Oc1ccc(Br)cc1)C(=O)O Amb24471254 [0,2,0,0,0,0|1,0,1]=4 4457 B13R1.133 C[C@H](Oc1ccc(Cl)cc1)C(=O)O Amb26618695 [0,2,0,0,0,0|1,0,1]=4 4458 B13R1.133 C[C@H](Oc1ccc(I)cc1)C(=O)O Amb24623054 [0,2,0,0,0,0|1,0,1]=4 4459 B13R1.133 C[C@H](Oc1ccc(O)cc1)C(=O)O Amb28313704 [0,2,0,0,0,0|1,0,1]=4 4460 B13R1.133 C[C@H](Sc1ccc(Cl)cc1)C(=O)O Amb27751301 [0,2,0,0,0,0|1,0,1]=4 4461 B13R1.133 C\C(=C/c1cc[n+]([O-])cc1)C(=O)O Amb27857680 [0,2,0,0,0,0|1,0,0]=3 4462 B13R1.133 C\C(=C/c1ccc(Br)cc1)C(=O)O Amb25696415 [0,2,0,0,0,0|0,0,0]=2 4463 B13R1.133 C\C(=C/c1ccc(Br)cc1)C(C)O Amb27834557 [0,2,0,0,0,0|1,0,1]=4 4464 B13R1.133 C\C(=C/c1ccc(Br)cc1)[N+](=O)[O-] Amb18041943 [0,2,0,0,0,0|1,0,1]=4 4465 B13R1.133 C\C(=C/c1ccc(C)cc1)C(=O)O Amb4007782 [0,2,0,0,0,0|0,0,0]=2 4466 B13R1.133 C\C(=C/c1ccc(C)nc1)C(=O)O Amb27165831 [0,2,0,0,0,0|1,0,0]=3 4467 B13R1.133 C\C(=C/c1ccc(Cl)cc1)C(=O)O Amb33800051 [0,2,0,0,0,0|0,0,0]=2 4468 B13R1.133 C\C(=C/c1ccc(Cl)cc1)[N+](=O)[O-] Amb6572983 [0,2,0,0,0,0|1,0,1]=4 4469 B13R1.133 C\C(=C/c1ccc(F)cc1)C(=O)O Amb32835535 [0,2,0,0,0,0|0,0,0]=2 4470 B13R1.133 C\C(=C/c1ccc(F)cc1)C(C)O Amb27840922 [0,2,0,0,0,0|1,0,1]=4 4471 B13R1.133 C\C(=C/c1ccc(F)cc1)[N+](=O)[O-] Amb2725411 [0,2,0,0,0,0|1,0,1]=4 4472 B13R1.133 C\C(=C/c1ccc(I)cc1)C(=O)O Amb17844105 [0,2,0,0,0,0|0,0,0]=2 4473 B13R1.133 C\C(=C/c1ccc(I)cc1)C(C)O Amb28344729 [0,2,0,0,0,0|1,0,1]=4 4474 B13R1.133 C\C(=C/c1ccc(I)cc1)[N+](=O)[O-] Amb6297634 [0,2,0,0,0,0|1,0,1]=4 4475 B13R1.133 C\C(=C/c1ccc(O)cc1)C(=O)O Amb18128066 [0,2,0,0,0,0|0,0,0]=2 4476 B13R1.133 C\C(=C/c1ccc(O)cc1)C(C)O Amb27456911 [0,2,0,0,0,0|1,0,1]=4 4477 B13R1.133 C\C(=C/c1ccc(O)cc1)[N+](=O)[O-] Amb4078945 [0,2,0,0,0,0|1,0,1]=4 4478 B13R1.133 C\C(=C/c1ccc(S)cc1)C(=O)O Amb27607664 [0,2,0,0,0,0|0,0,0]=2 4479 B13R1.133 C\C(=C\c1ccc(Br)cc1)C(=O)O Amb28042216 [0,2,0,0,0,0|0,0,0]=2 4480 B13R1.133 C\C(=C\c1ccc(Br)cc1)[N+](=O)[O-] Amb22641030 [0,2,0,0,0,0|1,0,1]=4 4481 B13R1.133 C\C(=C\c1ccc(Br)cn1)C(=O)O Amb27815482 [0,2,0,0,0,0|1,0,0]=3 4482 B13R1.133 C\C(=C\c1ccc(C)cc1)[N+](=O)[O-] Amb2689520 [0,2,0,0,0,0|1,0,1]=4 4483 B13R1.133 C\C(=C\c1ccc(C)cn1)C(=O)O Amb27254577 [0,2,0,0,0,0|1,0,0]=3 4484 B13R1.133 C\C(=C\c1ccc(C)nc1)C(=O)O Amb27597711 [0,2,0,0,0,0|1,0,0]=3 4485 B13R1.133 C\C(=C\c1ccc(Cl)cc1)C(=O)O Amb4010035 [0,2,0,0,0,0|0,0,0]=2 4486 B13R1.133 C\C(=C\c1ccc(F)cc1)[N+](=O)[O-] Amb26331846 [0,2,0,0,0,0|1,0,1]=4 4487 B13R1.133 C\C(=C\c1ccc(I)cc1)C(=O)O Amb28186320 [0,2,0,0,0,0|0,0,0]=2 4488 B13R1.133 C\C(=C\c1ccc(I)cc1)[N+](=O)[O-] Amb27188922 [0,2,0,0,0,0|1,0,1]=4 4489 B13R1.133 C\C(=C\c1ccc(N)nc1)C(=O)O Amb27637678 [0,2,0,0,0,0|1,0,0]=3 4490 B13R1.133 C\C(=C\c1ccc(O)cc1)C(=O)O Amb28186661 [0,2,0,0,0,0|0,0,0]=2 4491 B13R1.133 C\C(=C\c1ccc(O)cc1)[N+](=O)[O-] Amb24449182 [0,2,0,0,0,0|1,0,1]=4 4492 B13R1.133 Cc1ccc(CC(=O)C(=O)O)cc1 Amb1140634 [0,2,0,0,0,0|0,0,1]=3 4493 B13R1.133 Cc1ccc(CC(=O)C(=O)O)cn1 Amb33344531 [0,2,0,0,0,0|1,0,1]=4 4494 B13R1.133 Cc1ccc(CC(=O)C(=O)O)nc1 Amb25710761 [0,2,0,0,0,0|1,0,1]=4 4495 B13R1.133 Cc1ccc(CC(Br)C(=O)O)cc1 Amb23320603 [0,2,0,0,0,0|0,0,2]=4 4496 B13R1.133 Cc1ccc(CC(C)C(=O)O)cc1 Amb4009798 [0,2,0,0,0,0|0,0,2]=4 4497 B13R1.133 Cc1ccc(CC(Cl)C(=O)O)cc1 Amb17204376 [0,2,0,0,0,0|0,0,2]=4 4498 B13R1.133 Cc1ccc(CC(F)C(=O)O)cc1 Amb28187602 [0,2,0,0,0,0|0,0,2]=4 4499 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 Amb33463040 [0,2,0,0,0,0|0,0,2]=4 4500 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 Amb3788276 [0,2,0,0,0,0|0,0,2]=4 4501 B13R1.133 Cc1ccc(CC(O)C(=O)O)cc1 Amb17138950 [0,2,0,0,0,0|0,0,2]=4 4502 B13R1.133 Cc1ccc(CC(S)C(=O)O)cc1 Amb2806516 [0,2,0,0,0,0|0,0,2]=4 4503 B13R1.133 Cc1ccc(C[C@@H](C)C(=O)O)cc1 Amb10844190 [0,2,0,0,0,0|0,0,2]=4 4504 B13R1.133 Cc1ccc(C[C@@H](Cl)C(=O)O)cc1 Amb27865410 [0,2,0,0,0,0|0,0,2]=4 4505 B13R1.133 Cc1ccc(C[C@@H](N)C(=O)O)cc1 Amb8397010 [0,2,0,0,0,0|0,0,2]=4 4506 B13R1.133 Cc1ccc(C[C@H](C)C(=O)O)cc1 Amb10844191 [0,2,0,0,0,0|0,0,2]=4 4507 B13R1.133 Cc1ccc(C[C@H](N)C(=O)O)cc1 Amb8397007 [0,2,0,0,0,0|0,0,2]=4 4508 B13R1.133 Cc1ccc(NC(=O)C(=O)O)cc1 Amb838974 [0,2,0,0,0,0|1,0,0]=3 4509 B13R1.133 Cc1ccc(NC(=O)C(=O)O)cn1 Amb28121575 [0,2,0,0,0,0|2,0,0]=4 4510 B13R1.133 Cc1ccc(NC(=S)C(N)=O)cc1 Amb6865800 [0,2,0,0,0,0|2,0,0]=4 4511 B13R1.133 Cc1ccc(NC(C)C(=O)O)cc1 Amb840549 [0,2,0,0,0,0|1,0,1]=4 4512 B13R1.133 Cc1ccc(N[C@@H](C)C(=O)O)cc1 Amb27453592 [0,2,0,0,0,0|1,0,1]=4 4513 B13R1.133 Cc1ccc(OC(C)C(=O)O)cc1 Amb9702459 [0,2,0,0,0,0|1,0,1]=4 4514 B13R1.133 Cc1ccc(SC(=O)C(=O)O)cc1 Amb28366039 [0,2,0,0,0,0|1,0,0]=3 4515 B13R1.133 Cc1ccc(SC(C)C(=O)O)cc1 Amb9745733 [0,2,0,0,0,0|1,0,1]=4 4516 B13R1.133 Cc1ccc(\C=C(/F)C(=O)O)cc1 Amb18128596 [0,2,0,0,0,0|0,0,0]=2 4517 B13R1.133 Cc1ccc(\C=C(\Br)C(=O)O)cc1 Amb28042378 [0,2,0,0,0,0|0,0,0]=2 4518 B13R1.133 Cc1ccc(\C=C(\S)C(=O)O)cc1 Amb25950062 [0,2,0,0,0,0|0,0,0]=2 4519 B13R1.133 N=C(Nc1ccc(O)cc1)S(=O)O Amb5494092 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.133 NC(=O)C(=O)Nc1ccc(Cl)cc1 Amb1831097 [0,2,0,0,0,0|2,0,0]=4 4521 B13R1.133 NC(=O)C(=O)Nc1ccc(F)cc1 Amb3613977 [0,2,0,0,0,0|2,0,0]=4 4522 B13R1.133 NC(=O)C(=O)Nc1ccc(O)cc1 Amb18128559 [0,2,0,0,0,0|2,0,0]=4 4523 B13R1.133 NC(=O)C(=S)Nc1ccc(Br)cc1 Amb6875689 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.133 NC(=O)C(=S)Nc1ccc(Cl)cc1 Amb6875687 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.133 NC(=O)C(=S)Nc1ccc(N)cc1 Amb27650589 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O Amb22490717 [0,2,0,0,0,0|0,0,2]=4 4527 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O Amb2713315 [0,2,0,0,0,0|0,0,2]=4 4528 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O Amb30867690 [0,2,0,0,0,0|0,0,2]=4 4529 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O Amb8469810 [0,2,0,0,0,0|0,0,2]=4 4530 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O Amb9724294 [0,2,0,0,0,0|0,0,2]=4 4531 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O Amb20246818 [0,2,0,0,0,0|0,0,2]=4 4532 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O Amb6342375 [0,2,0,0,0,0|0,0,2]=4 4533 B13R1.133 NC(Cc1ccc(I)cc1)C(=O)O Amb3796904 [0,2,0,0,0,0|0,0,2]=4 4534 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O Amb22730237 [0,2,0,0,0,0|0,0,2]=4 4535 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O Amb9703113 [0,2,0,0,0,0|0,0,2]=4 4536 B13R1.133 NC(Cc1ccc(S)cc1)C(=O)O Amb27870593 [0,2,0,0,0,0|0,0,2]=4 4537 B13R1.133 NC(Cc1ccc(S)cc1)C(=O)O Amb33482800 [0,2,0,0,0,0|0,0,2]=4 4538 B13R1.133 N[C@@H](Cc1ccc(Br)cc1)C(=O)O Amb6295861 [0,2,0,0,0,0|0,0,2]=4 4539 B13R1.133 N[C@@H](Cc1ccc(Cl)cc1)C(=O)O Amb2719692 [0,2,0,0,0,0|0,0,2]=4 4540 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(=O)O Amb2688314 [0,2,0,0,0,0|0,0,2]=4 4541 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(=O)O Amb6295863 [0,2,0,0,0,0|0,0,2]=4 4542 B13R1.133 N[C@@H](Cc1ccc(I)cc1)C(=O)O Amb3941497 [0,2,0,0,0,0|0,0,2]=4 4543 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O Amb22351112 [0,2,0,0,0,0|0,0,2]=4 4544 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O Amb533651 [0,2,0,0,0,0|0,0,2]=4 4545 B13R1.133 N[C@H](Cc1ccc(Br)cc1)C(=O)O Amb20241889 [0,2,0,0,0,0|0,0,2]=4 4546 B13R1.133 N[C@H](Cc1ccc(Br)cc1)C(=O)O Amb3938905 [0,2,0,0,0,0|0,0,2]=4 4547 B13R1.133 N[C@H](Cc1ccc(Cl)cc1)C(=O)O Amb6295862 [0,2,0,0,0,0|0,0,2]=4 4548 B13R1.133 N[C@H](Cc1ccc(Cl)cc1)C(=O)O Amb8390370 [0,2,0,0,0,0|0,0,2]=4 4549 B13R1.133 N[C@H](Cc1ccc(F)cc1)C(=O)O Amb2720054 [0,2,0,0,0,0|0,0,2]=4 4550 B13R1.133 N[C@H](Cc1ccc(F)cc1)C(=O)O Amb4034642 [0,2,0,0,0,0|0,0,2]=4 4551 B13R1.133 N[C@H](Cc1ccc(I)cc1)C(=O)O Amb6298337 [0,2,0,0,0,0|0,0,2]=4 4552 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O Amb2718757 [0,2,0,0,0,0|0,0,2]=4 4553 B13R1.133 N\C(=C\c1ccc(Br)cc1)C(=O)O Amb29883100 [0,2,0,0,0,0|0,0,0]=2 4554 B13R1.133 N\C(=C\c1ccc(Br)cn1)C(=O)O Amb35644575 [0,2,0,0,0,0|1,0,0]=3 4555 B13R1.133 N\C(=C\c1ccc(Cl)cc1)C(=O)O Amb27399082 [0,2,0,0,0,0|0,0,0]=2 4556 B13R1.133 Nc1ccc(CC(=O)C(=O)O)cc1 Amb24433983 [0,2,0,0,0,0|0,0,1]=3 4557 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 Amb24079001 [0,2,0,0,0,0|0,0,2]=4 4558 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 Amb6357138 [0,2,0,0,0,0|0,0,2]=4 4559 B13R1.133 Nc1ccc(CC(O)C(=O)O)cc1 Amb24635658 [0,2,0,0,0,0|0,0,2]=4 4560 B13R1.133 Nc1ccc(C[C@@H](N)C(=O)O)cc1 Amb19130487 [0,2,0,0,0,0|0,0,2]=4 4561 B13R1.133 Nc1ccc(C[C@@H](N)C(=O)O)cc1 Amb8397002 [0,2,0,0,0,0|0,0,2]=4 4562 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 Amb6295864 [0,2,0,0,0,0|0,0,2]=4 4563 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 Amb6365459 [0,2,0,0,0,0|0,0,2]=4 4564 B13R1.133 Nc1ccc(C[C@H](O)C(=O)O)cc1 Amb27403844 [0,2,0,0,0,0|0,0,2]=4 4565 B13R1.133 Nc1ccc(NC(=O)C(=O)O)cc1 Amb1348301 [0,2,0,0,0,0|1,0,0]=3 4566 B13R1.133 Nc1ccc(NC(=S)C(=O)O)cc1 Amb27858852 [0,2,0,0,0,0|1,0,0]=3 4567 B13R1.133 Nc1ccc(\C=C(\F)C(=O)O)cc1 Amb27659003 [0,2,0,0,0,0|0,0,0]=2 4568 B13R1.133 O=C(O)C(=O)Cc1ccc(Br)cc1 Amb1140012 [0,2,0,0,0,0|0,0,1]=3 4569 B13R1.133 O=C(O)C(=O)Cc1ccc(Br)cn1 Amb25091452 [0,2,0,0,0,0|1,0,1]=4 4570 B13R1.133 O=C(O)C(=O)Cc1ccc(Br)nc1 Amb33387727 [0,2,0,0,0,0|1,0,1]=4 4571 B13R1.133 O=C(O)C(=O)Cc1ccc(Cl)cc1 Amb1141688 [0,2,0,0,0,0|0,0,1]=3 4572 B13R1.133 O=C(O)C(=O)Cc1ccc(Cl)cn1 Amb33390549 [0,2,0,0,0,0|1,0,1]=4 4573 B13R1.133 O=C(O)C(=O)Cc1ccc(Cl)nc1 Amb33261566 [0,2,0,0,0,0|1,0,1]=4 4574 B13R1.133 O=C(O)C(=O)Cc1ccc(F)cc1 Amb1130482 [0,2,0,0,0,0|0,0,1]=3 4575 B13R1.133 O=C(O)C(=O)Cc1ccc(F)cn1 Amb33317396 [0,2,0,0,0,0|1,0,1]=4 4576 B13R1.133 O=C(O)C(=O)Cc1ccc(F)nc1 Amb33426564 [0,2,0,0,0,0|1,0,1]=4 4577 B13R1.133 O=C(O)C(=O)Cc1ccc(I)cc1 Amb26533898 [0,2,0,0,0,0|0,0,1]=3 4578 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 Amb1124591 [0,2,0,0,0,0|0,0,1]=3 4579 B13R1.133 O=C(O)C(=O)Nc1ccc(Br)cc1 Amb838965 [0,2,0,0,0,0|1,0,0]=3 4580 B13R1.133 O=C(O)C(=O)Nc1ccc(Br)cn1 Amb9304036 [0,2,0,0,0,0|2,0,0]=4 4581 B13R1.133 O=C(O)C(=O)Nc1ccc(Cl)cc1 Amb2371148 [0,2,0,0,0,0|1,0,0]=3 4582 B13R1.133 O=C(O)C(=O)Nc1ccc(Cl)cn1 Amb9304039 [0,2,0,0,0,0|2,0,0]=4 4583 B13R1.133 O=C(O)C(=O)Nc1ccc(F)cc1 Amb9303980 [0,2,0,0,0,0|1,0,0]=3 4584 B13R1.133 O=C(O)C(=O)Nc1ccc(I)cc1 Amb9303921 [0,2,0,0,0,0|1,0,0]=3 4585 B13R1.133 O=C(O)C(Br)Cc1ccc(Cl)cc1 Amb23320619 [0,2,0,0,0,0|0,0,2]=4 4586 B13R1.133 O=C(O)C(Br)Cc1ccc(F)cc1 Amb2480736 [0,2,0,0,0,0|0,0,2]=4 4587 B13R1.133 O=C(O)C(Cl)Cc1ccc(Br)cc1 Amb4165088 [0,2,0,0,0,0|0,0,2]=4 4588 B13R1.133 O=C(O)C(Cl)Cc1ccc(Cl)cc1 Amb17204492 [0,2,0,0,0,0|0,0,2]=4 4589 B13R1.133 O=C(O)C(Cl)Cc1ccc(F)cc1 Amb17204398 [0,2,0,0,0,0|0,0,2]=4 4590 B13R1.133 O=C(O)C(F)Cc1ccc(Br)cc1 Amb27221424 [0,2,0,0,0,0|0,0,2]=4 4591 B13R1.133 O=C(O)C(F)Cc1ccc(F)cc1 Amb27608914 [0,2,0,0,0,0|0,0,2]=4 4592 B13R1.133 O=C(O)C(F)Cc1ccc(I)cc1 Amb27627165 [0,2,0,0,0,0|0,0,2]=4 4593 B13R1.133 O=C(O)C(F)Oc1ccc(F)cc1 Amb27787626 [0,2,0,0,0,0|1,0,1]=4 4594 B13R1.133 O=C(O)C(F)Oc1ccc(I)cc1 Amb28058790 [0,2,0,0,0,0|1,0,1]=4 4595 B13R1.133 O=C(O)C(F)Sc1ccc(Br)cc1 Amb27883688 [0,2,0,0,0,0|1,0,1]=4 4596 B13R1.133 O=C(O)C(F)Sc1ccc(Cl)cc1 Amb27771739 [0,2,0,0,0,0|1,0,1]=4 4597 B13R1.133 O=C(O)C(O)Cc1ccc(Br)cc1 Amb17159703 [0,2,0,0,0,0|0,0,2]=4 4598 B13R1.133 O=C(O)C(O)Cc1ccc(Cl)cc1 Amb17139824 [0,2,0,0,0,0|0,0,2]=4 4599 B13R1.133 O=C(O)C(O)Cc1ccc(F)cc1 Amb17139080 [0,2,0,0,0,0|0,0,2]=4 4600 B13R1.133 O=C(O)C(O)Cc1ccc(I)cc1 Amb25079589 [0,2,0,0,0,0|0,0,2]=4 4601 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 Amb9813717 [0,2,0,0,0,0|0,0,2]=4 4602 B13R1.133 O=C(O)C(S)Cc1ccc(F)cc1 Amb33250291 [0,2,0,0,0,0|0,0,2]=4 4603 B13R1.133 O=C(O)[C@@H](F)Cc1ccc(O)cc1 Amb27478048 [0,2,0,0,0,0|0,0,2]=4 4604 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(Br)cc1 Amb25943047 [0,2,0,0,0,0|0,0,2]=4 4605 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(Cl)cc1 Amb25816136 [0,2,0,0,0,0|0,0,2]=4 4606 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(F)cc1 Amb27401894 [0,2,0,0,0,0|0,0,2]=4 4607 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(O)cc1 Amb8390585 [0,2,0,0,0,0|0,0,2]=4 4608 B13R1.133 O=C(O)[C@H](O)Cc1ccc(Cl)cc1 Amb25731054 [0,2,0,0,0,0|0,0,2]=4 4609 B13R1.133 O=C(O)[C@H](O)Cc1ccc(O)cc1 Amb22388639 [0,2,0,0,0,0|0,0,2]=4 4610 B13R1.133 O=C(O)\C(F)=C\c1ccc(Br)cc1 Amb27415963 [0,2,0,0,0,0|0,0,0]=2 4611 B13R1.133 O=C(O)\C(F)=C\c1ccc(Cl)cc1 Amb25209028 [0,2,0,0,0,0|0,0,0]=2 4612 B13R1.133 O=C(O)\C(F)=C\c1ccc(F)cc1 Amb25858140 [0,2,0,0,0,0|0,0,0]=2 4613 B13R1.133 O=C(O)\C(O)=C\c1ccc(F)cc1 Amb22549399 [0,2,0,0,0,0|0,0,0]=2 4614 B13R1.133 O=C(O)\C(S)=C/c1ccc(Cl)cc1 Amb2550970 [0,2,0,0,0,0|0,0,0]=2 4615 B13R1.133 O=C(O)\C(S)=C\c1ccc(Br)cc1 Amb1250113 [0,2,0,0,0,0|0,0,0]=2 4616 B13R1.133 O=C(O)\C(S)=C\c1ccc(F)cc1 Amb1250112 [0,2,0,0,0,0|0,0,0]=2 4617 B13R1.133 O=C(O)\C(S)=C\c1ccc(I)cc1 Amb24400252 [0,2,0,0,0,0|0,0,0]=2 4618 B13R1.133 O=[N+]([O-])\C(Br)=C/c1ccc(Br)cc1 Amb6374147 [0,2,0,0,0,0|1,0,1]=4 4619 B13R1.133 O=[N+]([O-])\C(Br)=C\c1ccc(Br)cc1 Amb6825701 [0,2,0,0,0,0|1,0,1]=4 4620 B13R1.133 O=[N+]([O-])\C(F)=C\c1ccc(Cl)cc1 Amb27843540 [0,2,0,0,0,0|1,0,1]=4 4621 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1C Amb18071291 [0,2,0,0,0,0|1,0,0]=3 4622 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1Cl Amb28399925 [0,2,0,0,0,0|1,0,0]=3 4623 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1F Amb27813947 [0,2,0,0,0,0|1,0,0]=3 4624 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1O Amb33389678 [0,2,0,0,0,0|1,0,0]=3 4625 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1Br Amb18071289 [0,2,0,0,0,0|1,0,0]=3 4626 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1C Amb18065528 [0,2,0,0,0,0|1,0,0]=3 4627 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1Cl Amb30013093 [0,2,0,0,0,0|1,0,0]=3 4628 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1F Amb33324280 [0,2,0,0,0,0|1,0,0]=3 4629 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1O Amb33080460 [0,2,0,0,0,0|1,0,0]=3 4630 B13R1.164 CC(=O)\C=C\c1ccc(C)nc1Cl Amb33260593 [0,2,0,0,0,0|2,0,0]=4 4631 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1Br Amb33452298 [0,2,0,0,0,0|1,0,0]=3 4632 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1C Amb18066349 [0,2,0,0,0,0|1,0,0]=3 4633 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1Cl Amb17679061 [0,2,0,0,0,0|1,0,0]=3 4634 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1F Amb33262253 [0,2,0,0,0,0|1,0,0]=3 4635 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1O Amb33406836 [0,2,0,0,0,0|1,0,0]=3 4636 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1Br Amb27654559 [0,2,0,0,0,0|1,0,0]=3 4637 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1C Amb33474680 [0,2,0,0,0,0|1,0,0]=3 4638 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1Cl Amb33390333 [0,2,0,0,0,0|1,0,0]=3 4639 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1F Amb18066049 [0,2,0,0,0,0|1,0,0]=3 4640 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1O Amb25961854 [0,2,0,0,0,0|1,0,0]=3 4641 B13R1.164 CC(=O)\C=C\c1ccc(N)cc1C Amb26022429 [0,2,0,0,0,0|1,0,0]=3 4642 B13R1.164 CC(=O)\C=C\c1ccc(N)cc1Cl Amb24554491 [0,2,0,0,0,0|1,0,0]=3 4643 B13R1.164 CC(=O)\C=C\c1ccc(O)cc1Cl Amb33221560 [0,2,0,0,0,0|1,0,0]=3 4644 B13R1.164 CC(=O)\C=C\c1ccc(O)cc1F Amb35688477 [0,2,0,0,0,0|1,0,0]=3 4645 B13R1.164 CC(=O)\C=C\c1ccc(O)cc1O Amb33269274 [0,2,0,0,0,0|1,0,0]=3 4646 B13R1.164 CC(=O)\C=C\c1cnc(Cl)cc1Cl Amb33259531 [0,2,0,0,0,0|2,0,0]=4 4647 B13R1.164 CC(O)\C=C\c1ccc(Cl)cc1Br Amb27805488 [0,2,0,0,0,0|1,0,1]=4 4648 B13R1.164 CC(O)\C=C\c1ccc(Cl)cc1Cl Amb26340482 [0,2,0,0,0,0|1,0,1]=4 4649 B13R1.164 CC(O)\C=C\c1ccc(F)cc1Br Amb27950415 [0,2,0,0,0,0|1,0,1]=4 4650 B13R1.164 CC(O)\C=C\c1ccc(F)cc1Cl Amb27830467 [0,2,0,0,0,0|1,0,1]=4 4651 B13R1.164 CC(O)\C=C\c1ccc(O)cc1F Amb35696351 [0,2,0,0,0,0|1,0,1]=4 4652 B13R1.164 CC1=NC=C(\C=C\C(=O)O)C(=O)N1 Amb18128568 [0,2,0,0,0,0|2,0,0]=4 4653 B13R1.164 Cc1cc(Br)ccc1C#CC(=O)O Amb24644369 [0,2,0,0,0,0|0,0,2]=4 4654 B13R1.164 Cc1cc(Br)ccc1CCC(=O)O Amb17204666 [0,2,0,0,0,0|0,0,2]=4 4655 B13R1.164 Cc1cc(Br)ccc1NCC(=O)O Amb4598611 [0,2,0,0,0,0|1,0,1]=4 4656 B13R1.164 Cc1cc(Br)ccc1OCC(=O)O Amb6335350 [0,2,0,0,0,0|1,0,1]=4 4657 B13R1.164 Cc1cc(Br)ccc1SCC(=O)O Amb1102797 [0,2,0,0,0,0|1,0,1]=4 4658 B13R1.164 Cc1cc(Br)ccc1\C=C\C(=O)O Amb17204662 [0,2,0,0,0,0|0,0,0]=2 4659 B13R1.164 Cc1cc(Br)ccc1\C=C\C(C)O Amb27967025 [0,2,0,0,0,0|1,0,1]=4 4660 B13R1.164 Cc1cc(Br)ccc1\C=C\[N+](=O)[O-] Amb27262834 [0,2,0,0,0,0|1,0,1]=4 4661 B13R1.164 Cc1cc(C)c(\C=C\C(=O)O)cn1 Amb32423758 [0,2,0,0,0,0|1,0,0]=3 4662 B13R1.164 Cc1cc(Cl)ccc1CCC(=O)O Amb3934500 [0,2,0,0,0,0|0,0,2]=4 4663 B13R1.164 Cc1cc(Cl)ccc1NCC(=O)O Amb4598583 [0,2,0,0,0,0|1,0,1]=4 4664 B13R1.164 Cc1cc(Cl)ccc1OCC(=O)O Amb1202458 [0,2,0,0,0,0|1,0,1]=4 4665 B13R1.164 Cc1cc(Cl)ccc1\C=C/C(N)=O Amb27489571 [0,2,0,0,0,0|1,0,0]=3 4666 B13R1.164 Cc1cc(Cl)ccc1\C=C\C(=O)O Amb33406707 [0,2,0,0,0,0|0,0,0]=2 4667 B13R1.164 Cc1cc(Cl)ccc1\C=C\[N+](=O)[O-] Amb26881676 [0,2,0,0,0,0|1,0,1]=4 4668 B13R1.164 Cc1cc(F)ccc1CCC(=O)O Amb18295695 [0,2,0,0,0,0|0,0,2]=4 4669 B13R1.164 Cc1cc(F)ccc1OCC(=O)O Amb4574107 [0,2,0,0,0,0|1,0,1]=4 4670 B13R1.164 Cc1cc(F)ccc1SCC(=O)O Amb17082987 [0,2,0,0,0,0|1,0,1]=4 4671 B13R1.164 Cc1cc(F)ccc1\C=C/C(N)=O Amb27468619 [0,2,0,0,0,0|1,0,0]=3 4672 B13R1.164 Cc1cc(F)ccc1\C=C\C(=O)O Amb32953723 [0,2,0,0,0,0|0,0,0]=2 4673 B13R1.164 Cc1cc(F)ccc1\C=C\C(C)O Amb28282074 [0,2,0,0,0,0|1,0,1]=4 4674 B13R1.164 Cc1cc(F)ccc1\C=C\[N+](=O)[O-] Amb25358152 [0,2,0,0,0,0|1,0,1]=4 4675 B13R1.164 Cc1cc(I)ccc1CCC(=O)O Amb26348864 [0,2,0,0,0,0|0,0,2]=4 4676 B13R1.164 Cc1cc(I)ccc1\C=C\C(=O)O Amb27461929 [0,2,0,0,0,0|0,0,0]=2 4677 B13R1.164 Cc1cc(N)ccc1CCC(=O)O Amb25991414 [0,2,0,0,0,0|0,0,2]=4 4678 B13R1.164 Cc1cc(N)ccc1NCC(=O)O Amb18987718 [0,2,0,0,0,0|1,0,1]=4 4679 B13R1.164 Cc1cc(N)ccc1\C=C\C(=O)O Amb25060621 [0,2,0,0,0,0|0,0,0]=2 4680 B13R1.164 Cc1cc(O)ccc1C#CC(=O)O Amb32990045 [0,2,0,0,0,0|0,0,2]=4 4681 B13R1.164 Cc1cc(O)ccc1CCC(=O)O Amb18055430 [0,2,0,0,0,0|0,0,2]=4 4682 B13R1.164 Cc1cc(O)ccc1\C=C\C(=O)O Amb25053476 [0,2,0,0,0,0|0,0,0]=2 4683 B13R1.164 Cc1cc(S)ccc1OCC(=O)O Amb18811779 [0,2,0,0,0,0|1,0,1]=4 4684 B13R1.164 Cc1ccc(C#CC(=O)O)c(Br)c1 Amb23538428 [0,2,0,0,0,0|0,0,2]=4 4685 B13R1.164 Cc1ccc(C#CC(=O)O)c(C)c1 Amb17232994 [0,2,0,0,0,0|0,0,2]=4 4686 B13R1.164 Cc1ccc(C#CC(=O)O)c(Cl)c1 Amb28043530 [0,2,0,0,0,0|0,0,2]=4 4687 B13R1.164 Cc1ccc(C#CC(=O)O)c(F)c1 Amb27808795 [0,2,0,0,0,0|0,0,2]=4 4688 B13R1.164 Cc1ccc(CCC(=O)O)c(Br)c1 Amb17204665 [0,2,0,0,0,0|0,0,2]=4 4689 B13R1.164 Cc1ccc(CCC(=O)O)c(C)c1 Amb1229842 [0,2,0,0,0,0|0,0,2]=4 4690 B13R1.164 Cc1ccc(CCC(=O)O)c(Cl)c1 Amb27453453 [0,2,0,0,0,0|0,0,2]=4 4691 B13R1.164 Cc1ccc(CCC(=O)O)c(F)c1 Amb22047714 [0,2,0,0,0,0|0,0,2]=4 4692 B13R1.164 Cc1ccc(CCC(=O)O)c(I)c1 Amb25338151 [0,2,0,0,0,0|0,0,2]=4 4693 B13R1.164 Cc1ccc(CCC(=O)O)c(N)c1 Amb25721914 [0,2,0,0,0,0|0,0,2]=4 4694 B13R1.164 Cc1ccc(CCC(=O)O)c(O)c1 Amb25363175 [0,2,0,0,0,0|0,0,2]=4 4695 B13R1.164 Cc1ccc(NCC(=O)O)c(Br)c1 Amb840539 [0,2,0,0,0,0|1,0,1]=4 4696 B13R1.164 Cc1ccc(NCC(=O)O)c(C)c1 Amb840531 [0,2,0,0,0,0|1,0,1]=4 4697 B13R1.164 Cc1ccc(NCC(=O)O)c(Cl)c1 Amb7780740 [0,2,0,0,0,0|1,0,1]=4 4698 B13R1.164 Cc1ccc(NCC(=O)O)c(O)c1 Amb33621498 [0,2,0,0,0,0|1,0,1]=4 4699 B13R1.164 Cc1ccc(OCC(=O)O)c(Br)c1 Amb6337247 [0,2,0,0,0,0|1,0,1]=4 4700 B13R1.164 Cc1ccc(OCC(=O)O)c(C)c1 Amb6340342 [0,2,0,0,0,0|1,0,1]=4 4701 B13R1.164 Cc1ccc(OCC(=O)O)c(Cl)c1 Amb18994686 [0,2,0,0,0,0|1,0,1]=4 4702 B13R1.164 Cc1ccc(OCC(=O)O)c(F)c1 Amb26875381 [0,2,0,0,0,0|1,0,1]=4 4703 B13R1.164 Cc1ccc(OCC(=O)O)c(O)c1 Amb25785175 [0,2,0,0,0,0|1,0,1]=4 4704 B13R1.164 Cc1ccc(SCC(=O)O)c(C)c1 Amb433878 [0,2,0,0,0,0|1,0,1]=4 4705 B13R1.164 Cc1ccc(\C=C\B(O)O)c(C)c1 Amb27618253 [0,2,0,0,0,0|1,0,1]=4 4706 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(Br)c1 Amb1211978 [0,2,0,0,0,0|0,0,0]=2 4707 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(C)c1 Amb471122 [0,2,0,0,0,0|0,0,0]=2 4708 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(C)n1 Amb18216974 [0,2,0,0,0,0|1,0,0]=3 4709 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(Cl)c1 Amb33220559 [0,2,0,0,0,0|0,0,0]=2 4710 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(Cl)n1 Amb33259870 [0,2,0,0,0,0|1,0,0]=3 4711 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(F)c1 Amb32954653 [0,2,0,0,0,0|0,0,0]=2 4712 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(O)c1 Amb24386047 [0,2,0,0,0,0|0,0,0]=2 4713 B13R1.164 Cc1ccc(\C=C\C(C)O)c(C)c1 Amb26324448 [0,2,0,0,0,0|1,0,1]=4 4714 B13R1.164 Cc1ccc(\C=C\C(C)O)c(Cl)c1 Amb35711134 [0,2,0,0,0,0|1,0,1]=4 4715 B13R1.164 Cc1ccc(\C=C\C(N)=O)c(O)c1 Amb27468234 [0,2,0,0,0,0|1,0,0]=3 4716 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(Br)c1 Amb33451179 [0,2,0,0,0,0|1,0,1]=4 4717 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(C)c1 Amb33172150 [0,2,0,0,0,0|1,0,1]=4 4718 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(Cl)c1 Amb34947310 [0,2,0,0,0,0|1,0,1]=4 4719 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(F)c1 Amb33324285 [0,2,0,0,0,0|1,0,1]=4 4720 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(N)c1 Amb27191798 [0,2,0,0,0,0|1,0,1]=4 4721 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(O)c1 Amb33172462 [0,2,0,0,0,0|1,0,1]=4 4722 B13R1.164 Cc1cnc(\C=C\C(=O)O)c(C)c1 Amb24726558 [0,2,0,0,0,0|1,0,0]=3 4723 B13R1.164 Cc1nc(N)ccc1\C=C\C(=O)O Amb24729295 [0,2,0,0,0,0|1,0,0]=3 4724 B13R1.164 NC(=O)\C=C/c1ccc(O)cc1Cl Amb28046910 [0,2,0,0,0,0|1,0,0]=3 4725 B13R1.164 NC(=O)\C=C\c1ccc(Br)cc1F Amb27608566 [0,2,0,0,0,0|1,0,0]=3 4726 B13R1.164 NC(=O)\C=C\c1ccc(Br)cc1O Amb27800284 [0,2,0,0,0,0|1,0,0]=3 4727 B13R1.164 NC(=O)\C=C\c1ccc(Cl)cc1Cl Amb8858369 [0,2,0,0,0,0|1,0,0]=3 4728 B13R1.164 NC(=O)\C=C\c1ccc(F)cc1F Amb24616436 [0,2,0,0,0,0|1,0,0]=3 4729 B13R1.164 NC(=S)\C=C\c1ccc(Cl)cc1Cl Amb18108356 [0,2,0,0,0,0|1,1,0]=4 4730 B13R1.164 NC1=NC(=O)NC=C1\C=C\C(=O)O Amb27195425 [0,2,0,0,0,0|2,0,0]=4 4731 B13R1.164 Nc1cc(Br)ccc1C#CC(=O)O Amb32990006 [0,2,0,0,0,0|0,0,2]=4 4732 B13R1.164 Nc1cc(Br)ccc1CCC(=O)O Amb27867442 [0,2,0,0,0,0|0,0,2]=4 4733 B13R1.164 Nc1cc(Br)ccc1\C=C\C(=O)O Amb10068738 [0,2,0,0,0,0|0,0,0]=2 4734 B13R1.164 Nc1cc(Br)ccc1\C=C\[N+](=O)[O-] Amb26993764 [0,2,0,0,0,0|1,0,1]=4 4735 B13R1.164 Nc1cc(Cl)ccc1C#CC(=O)O Amb32990002 [0,2,0,0,0,0|0,0,2]=4 4736 B13R1.164 Nc1cc(Cl)ccc1\C=C\[N+](=O)[O-] Amb25213925 [0,2,0,0,0,0|1,0,1]=4 4737 B13R1.164 Nc1cc(F)ccc1CCC(=O)O Amb26327970 [0,2,0,0,0,0|0,0,2]=4 4738 B13R1.164 Nc1cc(F)ccc1NCC(=O)O Amb18987714 [0,2,0,0,0,0|1,0,1]=4 4739 B13R1.164 Nc1cc(I)ccc1\C=C\C(=O)O Amb26391075 [0,2,0,0,0,0|0,0,0]=2 4740 B13R1.164 Nc1ccc(C#CC(=O)O)c(Cl)c1 Amb32989973 [0,2,0,0,0,0|0,0,2]=4 4741 B13R1.164 Nc1ccc(CCC(=O)O)c(Cl)c1 Amb27649208 [0,2,0,0,0,0|0,0,2]=4 4742 B13R1.164 Nc1ccc(CCC(=O)O)c(F)c1 Amb22395146 [0,2,0,0,0,0|0,0,2]=4 4743 B13R1.164 Nc1ccc(CCC(=O)O)c(I)c1 Amb25324709 [0,2,0,0,0,0|0,0,2]=4 4744 B13R1.164 Nc1ccc(CCC(=O)O)c(N)c1 Amb25674560 [0,2,0,0,0,0|0,0,2]=4 4745 B13R1.164 Nc1ccc(CCC(=O)O)c(O)c1 Amb28121073 [0,2,0,0,0,0|0,0,2]=4 4746 B13R1.164 Nc1ccc(CCC(=O)O)c(S)c1 Amb27616053 [0,2,0,0,0,0|0,0,2]=4 4747 B13R1.164 Nc1ccc(NCC(=O)O)c(Cl)c1 Amb18990529 [0,2,0,0,0,0|1,0,1]=4 4748 B13R1.164 Nc1ccc(NCC(=O)O)c(I)c1 Amb27809793 [0,2,0,0,0,0|1,0,1]=4 4749 B13R1.164 Nc1ccc(OCC(=O)O)c(F)c1 Amb18290786 [0,2,0,0,0,0|1,0,1]=4 4750 B13R1.164 Nc1ccc(SCC(=O)O)c(Br)c1 Amb28461479 [0,2,0,0,0,0|1,0,1]=4 4751 B13R1.164 Nc1ccc(\C=C\C(=O)O)c(Br)c1 Amb25940669 [0,2,0,0,0,0|0,0,0]=2 4752 B13R1.164 Nc1ccc(\C=C\C(=O)O)c(Cl)c1 Amb27865710 [0,2,0,0,0,0|0,0,0]=2 4753 B13R1.164 Nc1ccc(\C=C\C(=O)O)c(I)c1 Amb26391078 [0,2,0,0,0,0|0,0,0]=2 4754 B13R1.164 O=C(Cl)\C=C/c1ccc(Cl)cc1F Amb27845103 [0,2,0,0,0,0|1,0,0]=3 4755 B13R1.164 O=C(Cl)\C=C\c1ccc(Br)cc1F Amb2685237 [0,2,0,0,0,0|1,0,0]=3 4756 B13R1.164 O=C(Cl)\C=C\c1ccc(Cl)cc1Cl Amb16186542 [0,2,0,0,0,0|1,0,0]=3 4757 B13R1.164 O=C(Cl)\C=C\c1ccc(Cl)cc1F Amb28401630 [0,2,0,0,0,0|1,0,0]=3 4758 B13R1.164 O=C(Cl)\C=C\c1ccc(F)cc1F Amb24740151 [0,2,0,0,0,0|1,0,0]=3 4759 B13R1.164 O=C(O)C#Cc1ccc(Br)cc1Cl Amb27172529 [0,2,0,0,0,0|0,0,2]=4 4760 B13R1.164 O=C(O)C#Cc1ccc(Br)cc1F Amb27763115 [0,2,0,0,0,0|0,0,2]=4 4761 B13R1.164 O=C(O)C#Cc1ccc(Cl)cc1Br Amb28341487 [0,2,0,0,0,0|0,0,2]=4 4762 B13R1.164 O=C(O)C#Cc1ccc(Cl)cc1Cl Amb20673090 [0,2,0,0,0,0|0,0,2]=4 4763 B13R1.164 O=C(O)C#Cc1ccc(Cl)cc1F Amb25897593 [0,2,0,0,0,0|0,0,2]=4 4764 B13R1.164 O=C(O)C#Cc1ccc(F)cc1F Amb22886526 [0,2,0,0,0,0|0,0,2]=4 4765 B13R1.164 O=C(O)CCc1ccc(Br)cc1Br Amb24331873 [0,2,0,0,0,0|0,0,2]=4 4766 B13R1.164 O=C(O)CCc1ccc(Br)cc1Cl Amb25949662 [0,2,0,0,0,0|0,0,2]=4 4767 B13R1.164 O=C(O)CCc1ccc(Br)cc1F Amb33531675 [0,2,0,0,0,0|0,0,2]=4 4768 B13R1.164 O=C(O)CCc1ccc(Br)cc1I Amb25732979 [0,2,0,0,0,0|0,0,2]=4 4769 B13R1.164 O=C(O)CCc1ccc(Br)cc1O Amb26005048 [0,2,0,0,0,0|0,0,2]=4 4770 B13R1.164 O=C(O)CCc1ccc(Cl)cc1Br Amb24350628 [0,2,0,0,0,0|0,0,2]=4 4771 B13R1.164 O=C(O)CCc1ccc(Cl)cc1Cl Amb2686940 [0,2,0,0,0,0|0,0,2]=4 4772 B13R1.164 O=C(O)CCc1ccc(Cl)cc1F Amb3934519 [0,2,0,0,0,0|0,0,2]=4 4773 B13R1.164 O=C(O)CCc1ccc(Cl)cc1I Amb25347635 [0,2,0,0,0,0|0,0,2]=4 4774 B13R1.164 O=C(O)CCc1ccc(Cl)cc1O Amb27623306 [0,2,0,0,0,0|0,0,2]=4 4775 B13R1.164 O=C(O)CCc1ccc(Cl)cc1S Amb27797232 [0,2,0,0,0,0|0,0,2]=4 4776 B13R1.164 O=C(O)CCc1ccc(F)cc1Br Amb9384328 [0,2,0,0,0,0|0,0,2]=4 4777 B13R1.164 O=C(O)CCc1ccc(F)cc1Cl Amb9384330 [0,2,0,0,0,0|0,0,2]=4 4778 B13R1.164 O=C(O)CCc1ccc(F)cc1F Amb3934517 [0,2,0,0,0,0|0,0,2]=4 4779 B13R1.164 O=C(O)CCc1ccc(F)cc1I Amb25696081 [0,2,0,0,0,0|0,0,2]=4 4780 B13R1.164 O=C(O)CCc1ccc(F)cc1O Amb28188964 [0,2,0,0,0,0|0,0,2]=4 4781 B13R1.164 O=C(O)CCc1ccc(F)cc1S Amb27622870 [0,2,0,0,0,0|0,0,2]=4 4782 B13R1.164 O=C(O)CCc1ccc(I)cc1Br Amb26468162 [0,2,0,0,0,0|0,0,2]=4 4783 B13R1.164 O=C(O)CCc1ccc(I)cc1Cl Amb26503772 [0,2,0,0,0,0|0,0,2]=4 4784 B13R1.164 O=C(O)CCc1ccc(I)cc1F Amb27224088 [0,2,0,0,0,0|0,0,2]=4 4785 B13R1.164 O=C(O)CCc1ccc(I)cc1I Amb27441420 [0,2,0,0,0,0|0,0,2]=4 4786 B13R1.164 O=C(O)CCc1ccc(I)cc1O Amb27759441 [0,2,0,0,0,0|0,0,2]=4 4787 B13R1.164 O=C(O)CCc1ccc(O)cc1Br Amb27794397 [0,2,0,0,0,0|0,0,2]=4 4788 B13R1.164 O=C(O)CCc1ccc(O)cc1Cl Amb18556145 [0,2,0,0,0,0|0,0,2]=4 4789 B13R1.164 O=C(O)CCc1ccc(O)cc1F Amb26347672 [0,2,0,0,0,0|0,0,2]=4 4790 B13R1.164 O=C(O)CCc1ccc(O)cc1I Amb25800186 [0,2,0,0,0,0|0,0,2]=4 4791 B13R1.164 O=C(O)CCc1ccc(O)cc1O Amb2570002 [0,2,0,0,0,0|0,0,2]=4 4792 B13R1.164 O=C(O)CCc1ccc(S)cc1Br Amb27613909 [0,2,0,0,0,0|0,0,2]=4 4793 B13R1.164 O=C(O)CCc1ccc(S)cc1Cl Amb27813685 [0,2,0,0,0,0|0,0,2]=4 4794 B13R1.164 O=C(O)CCc1ccc(S)cc1I Amb27423689 [0,2,0,0,0,0|0,0,2]=4 4795 B13R1.164 O=C(O)CNc1ccc(Cl)cc1Cl Amb4598573 [0,2,0,0,0,0|1,0,1]=4 4796 B13R1.164 O=C(O)CNc1ccc(F)cc1F Amb3903898 [0,2,0,0,0,0|1,0,1]=4 4797 B13R1.164 O=C(O)CNc1ccc(I)cc1F Amb35736206 [0,2,0,0,0,0|1,0,1]=4 4798 B13R1.164 O=C(O)COc1ccc(Br)cc1Br Amb6317129 [0,2,0,0,0,0|1,0,1]=4 4799 B13R1.164 O=C(O)COc1ccc(Br)cc1Cl Amb6337245 [0,2,0,0,0,0|1,0,1]=4 4800 B13R1.164 O=C(O)COc1ccc(Br)cc1F Amb17786 [0,2,0,0,0,0|1,0,1]=4 4801 B13R1.164 O=C(O)COc1ccc(Br)cc1O Amb33389633 [0,2,0,0,0,0|1,0,1]=4 4802 B13R1.164 O=C(O)COc1ccc(Cl)cc1Br Amb6346368 [0,2,0,0,0,0|1,0,1]=4 4803 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl Amb1202354 [0,2,0,0,0,0|1,0,1]=4 4804 B13R1.164 O=C(O)COc1ccc(Cl)cc1F Amb23452454 [0,2,0,0,0,0|1,0,1]=4 4805 B13R1.164 O=C(O)COc1ccc(Cl)cc1I Amb25884561 [0,2,0,0,0,0|1,0,1]=4 4806 B13R1.164 O=C(O)COc1ccc(Cl)cc1O Amb21963931 [0,2,0,0,0,0|1,0,1]=4 4807 B13R1.164 O=C(O)COc1ccc(F)cc1Br Amb17779 [0,2,0,0,0,0|1,0,1]=4 4808 B13R1.164 O=C(O)COc1ccc(F)cc1Cl Amb6550957 [0,2,0,0,0,0|1,0,1]=4 4809 B13R1.164 O=C(O)COc1ccc(F)cc1F Amb6335907 [0,2,0,0,0,0|1,0,1]=4 4810 B13R1.164 O=C(O)COc1ccc(I)cc1Cl Amb26514948 [0,2,0,0,0,0|1,0,1]=4 4811 B13R1.164 O=C(O)COc1ccc(O)cc1Cl Amb24066093 [0,2,0,0,0,0|1,0,1]=4 4812 B13R1.164 O=C(O)COc1ccc(O)cc1F Amb33376511 [0,2,0,0,0,0|1,0,1]=4 4813 B13R1.164 O=C(O)COc1ccc(O)cc1O Amb33268970 [0,2,0,0,0,0|1,0,1]=4 4814 B13R1.164 O=C(O)COc1ccc(S)cc1Cl Amb27827374 [0,2,0,0,0,0|1,0,1]=4 4815 B13R1.164 O=C(O)CSc1ccc(Cl)cc1Cl Amb2730948 [0,2,0,0,0,0|1,0,1]=4 4816 B13R1.164 O=C(O)CSc1ccc(F)cc1F Amb46714 [0,2,0,0,0,0|1,0,1]=4 4817 B13R1.164 O=C(O)NCc1ccc(O)cc1O Amb24100316 [0,2,0,0,0,0|1,0,1]=4 4818 B13R1.164 O=C(O)\C=C/c1ccc(Br)cc1F Amb9826785 [0,2,0,0,0,0|0,0,0]=2 4819 B13R1.164 O=C(O)\C=C/c1ccc(F)cc1Br Amb10841267 [0,2,0,0,0,0|0,0,0]=2 4820 B13R1.164 O=C(O)\C=C/c1ccc(F)cc1F Amb27439370 [0,2,0,0,0,0|0,0,0]=2 4821 B13R1.164 O=C(O)\C=C\C1=CNC(=O)NC1=O Amb19131129 [0,2,0,0,0,0|2,0,0]=4 4822 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1Br Amb24518497 [0,2,0,0,0,0|0,0,0]=2 4823 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1Cl Amb22233585 [0,2,0,0,0,0|0,0,0]=2 4824 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1F Amb2685212 [0,2,0,0,0,0|0,0,0]=2 4825 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1O Amb33451427 [0,2,0,0,0,0|0,0,0]=2 4826 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1Br Amb24697213 [0,2,0,0,0,0|0,0,0]=2 4827 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1Cl Amb24061479 [0,2,0,0,0,0|0,0,0]=2 4828 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1Cl Amb33719396 [0,2,0,0,0,0|0,0,0]=2 4829 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1F Amb8515098 [0,2,0,0,0,0|0,0,0]=2 4830 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1O Amb33406382 [0,2,0,0,0,0|0,0,0]=2 4831 B13R1.164 O=C(O)\C=C\c1ccc(Cl)nc1Cl Amb33051991 [0,2,0,0,0,0|1,0,0]=3 4832 B13R1.164 O=C(O)\C=C\c1ccc(F)cc1Br Amb33241214 [0,2,0,0,0,0|0,0,0]=2 4833 B13R1.164 O=C(O)\C=C\c1ccc(F)cc1Cl Amb8515210 [0,2,0,0,0,0|0,0,0]=2 4834 B13R1.164 O=C(O)\C=C\c1ccc(F)cc1F Amb24060995 [0,2,0,0,0,0|0,0,0]=2 4835 B13R1.164 O=C(O)\C=C\c1ccc(I)cc1Br Amb27778877 [0,2,0,0,0,0|0,0,0]=2 4836 B13R1.164 O=C(O)\C=C\c1ccc(I)cc1F Amb25246682 [0,2,0,0,0,0|0,0,0]=2 4837 B13R1.164 O=C(O)\C=C\c1ccc(O)cc1Br Amb25766604 [0,2,0,0,0,0|0,0,0]=2 4838 B13R1.164 O=C(O)\C=C\c1ccc(O)cc1Cl Amb2697790 [0,2,0,0,0,0|0,0,0]=2 4839 B13R1.164 O=C(O)\C=C\c1ccc(O)cc1F Amb33449693 [0,2,0,0,0,0|0,0,0]=2 4840 B13R1.164 O=C(O)\C=C\c1cnc(Cl)cc1Cl Amb33256888 [0,2,0,0,0,0|1,0,0]=3 4841 B13R1.164 O=C(O)\C=C\c1ncc(Br)cc1Br Amb27764367 [0,2,0,0,0,0|1,0,0]=3 4842 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Br)cc1Cl Amb25129245 [0,2,0,0,0,0|1,0,1]=4 4843 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Br)cc1F Amb27643181 [0,2,0,0,0,0|1,0,1]=4 4844 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Br)cc1O Amb33389599 [0,2,0,0,0,0|1,0,1]=4 4845 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Cl)cc1Br Amb25195741 [0,2,0,0,0,0|1,0,1]=4 4846 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Cl)cc1Cl Amb1011563 [0,2,0,0,0,0|1,0,1]=4 4847 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Cl)cc1F Amb33262266 [0,2,0,0,0,0|1,0,1]=4 4848 B13R1.164 O=[N+]([O-])\C=C\c1ccc(Cl)cc1O Amb33260784 [0,2,0,0,0,0|1,0,1]=4 4849 B13R1.164 O=[N+]([O-])\C=C\c1ccc(F)cc1Br Amb10067815 [0,2,0,0,0,0|1,0,1]=4 4850 B13R1.164 O=[N+]([O-])\C=C\c1ccc(F)cc1Cl Amb24435087 [0,2,0,0,0,0|1,0,1]=4 4851 B13R1.164 O=[N+]([O-])\C=C\c1ccc(F)cc1F Amb24666348 [0,2,0,0,0,0|1,0,1]=4 4852 B13R1.164 O=[N+]([O-])\C=C\c1ccc(O)cc1Cl Amb26471918 [0,2,0,0,0,0|1,0,1]=4 4853 B13R1.164 O=[N+]([O-])\C=C\c1ccc(O)cc1F Amb34947556 [0,2,0,0,0,0|1,0,1]=4 4854 B13R1.164 O=[N+]([O-])\C=C\c1ccc(O)cc1O Amb24393369 [0,2,0,0,0,0|1,0,1]=4 4855 B13R1.164 OB(O)\C=C\c1ccc(Br)cc1F Amb26900239 [0,2,0,0,0,0|1,0,1]=4 4856 B13R1.511 CC(=O)\C=C\c1ccc(Br)c(C)c1 Amb18071293 [0,2,0,0,0,0|1,0,0]=3 4857 B13R1.511 CC(=O)\C=C\c1ccc(Br)c(Cl)c1 Amb33243010 [0,2,0,0,0,0|1,0,0]=3 4858 B13R1.511 CC(=O)\C=C\c1ccc(Br)c(F)c1 Amb33452261 [0,2,0,0,0,0|1,0,0]=3 4859 B13R1.511 CC(=O)\C=C\c1ccc(C)c(Br)c1 Amb18071287 [0,2,0,0,0,0|1,0,0]=3 4860 B13R1.511 CC(=O)\C=C\c1ccc(C)c(C)c1 Amb18065530 [0,2,0,0,0,0|1,0,0]=3 4861 B13R1.511 CC(=O)\C=C\c1ccc(C)c(Cl)c1 Amb18066350 [0,2,0,0,0,0|1,0,0]=3 4862 B13R1.511 CC(=O)\C=C\c1ccc(C)c(F)c1 Amb33359193 [0,2,0,0,0,0|1,0,0]=3 4863 B13R1.511 CC(=O)\C=C\c1ccc(C)c(N)c1 Amb26346632 [0,2,0,0,0,0|1,0,0]=3 4864 B13R1.511 CC(=O)\C=C\c1ccc(C)c(O)c1 Amb33310470 [0,2,0,0,0,0|1,0,0]=3 4865 B13R1.511 CC(=O)\C=C\c1ccc(Cl)c(Br)c1 Amb33451280 [0,2,0,0,0,0|1,0,0]=3 4866 B13R1.511 CC(=O)\C=C\c1ccc(Cl)c(Cl)c1 Amb33799619 [0,2,0,0,0,0|1,0,0]=3 4867 B13R1.511 CC(=O)\C=C\c1ccc(Cl)c(F)c1 Amb27780429 [0,2,0,0,0,0|1,0,0]=3 4868 B13R1.511 CC(=O)\C=C\c1ccc(Cl)c(N)c1 Amb24659911 [0,2,0,0,0,0|1,0,0]=3 4869 B13R1.511 CC(=O)\C=C\c1ccc(Cl)c(O)c1 Amb25807587 [0,2,0,0,0,0|1,0,0]=3 4870 B13R1.511 CC(=O)\C=C\c1ccc(F)c(Br)c1 Amb33451945 [0,2,0,0,0,0|1,0,0]=3 4871 B13R1.511 CC(=O)\C=C\c1ccc(F)c(C)c1 Amb33359095 [0,2,0,0,0,0|1,0,0]=3 4872 B13R1.511 CC(=O)\C=C\c1ccc(F)c(Cl)c1 Amb18066482 [0,2,0,0,0,0|1,0,0]=3 4873 B13R1.511 CC(=O)\C=C\c1ccc(F)c(F)c1 Amb18066050 [0,2,0,0,0,0|1,0,0]=3 4874 B13R1.511 CC(=O)\C=C\c1ccc(F)c(N)c1 Amb25689058 [0,2,0,0,0,0|1,0,0]=3 4875 B13R1.511 CC(=O)\C=C\c1ccc(O)c(Br)c1 Amb33388933 [0,2,0,0,0,0|1,0,0]=3 4876 B13R1.511 CC(=O)\C=C\c1ccc(O)c(C)c1 Amb28199828 [0,2,0,0,0,0|1,0,0]=3 4877 B13R1.511 CC(=O)\C=C\c1ccc(O)c(Cl)c1 Amb33052105 [0,2,0,0,0,0|1,0,0]=3 4878 B13R1.511 CC(=O)\C=C\c1ccc(O)c(F)c1 Amb32954205 [0,2,0,0,0,0|1,0,0]=3 4879 B13R1.511 CC(=O)\C=C\c1ccc(O)c(O)c1 Amb33448627 [0,2,0,0,0,0|1,0,0]=3 4880 B13R1.511 CC(=O)\C=C\c1cnc(Cl)c(C)c1 Amb33058952 [0,2,0,0,0,0|2,0,0]=4 4881 B13R1.511 CC(=O)\C=C\c1cnc(Cl)c(Cl)c1 Amb33260367 [0,2,0,0,0,0|2,0,0]=4 4882 B13R1.511 CC(O)\C=C\c1ccc(Cl)c(Cl)c1 Amb26060046 [0,2,0,0,0,0|1,0,1]=4 4883 B13R1.511 CC(O)\C=C\c1ccc(F)c(Br)c1 Amb27834436 [0,2,0,0,0,0|1,0,1]=4 4884 B13R1.511 CN1C=C(\C=C\C(=O)O)C=CC1=O Amb18224629 [0,2,0,0,0,0|1,0,0]=3 4885 B13R1.511 CN1N=CC(\C=C\C(=O)O)=CC1=O Amb25302219 [0,2,0,0,0,0|2,0,0]=4 4886 B13R1.511 Cc1cc(C#CC(=O)O)ccc1F Amb17138842 [0,2,0,0,0,0|0,0,2]=4 4887 B13R1.511 Cc1cc(C#CC(=O)O)ccc1N Amb32989916 [0,2,0,0,0,0|0,0,2]=4 4888 B13R1.511 Cc1cc(CCC(=O)O)ccc1Br Amb17204667 [0,2,0,0,0,0|0,0,2]=4 4889 B13R1.511 Cc1cc(CCC(=O)O)ccc1Cl Amb8496560 [0,2,0,0,0,0|0,0,2]=4 4890 B13R1.511 Cc1cc(CCC(=O)O)ccc1F Amb8496558 [0,2,0,0,0,0|0,0,2]=4 4891 B13R1.511 Cc1cc(CCC(=O)O)ccc1N Amb27650607 [0,2,0,0,0,0|0,0,2]=4 4892 B13R1.511 Cc1cc(CCC(=O)O)ccc1O Amb5722279 [0,2,0,0,0,0|0,0,2]=4 4893 B13R1.511 Cc1cc(NCC(=O)O)ccc1Br Amb4598582 [0,2,0,0,0,0|1,0,1]=4 4894 B13R1.511 Cc1cc(NCC(=O)O)ccc1F Amb18998936 [0,2,0,0,0,0|1,0,1]=4 4895 B13R1.511 Cc1cc(NCC(=O)O)ccc1N Amb18987720 [0,2,0,0,0,0|1,0,1]=4 4896 B13R1.511 Cc1cc(OCC(=O)O)ccc1Br Amb6335349 [0,2,0,0,0,0|1,0,1]=4 4897 B13R1.511 Cc1cc(OCC(=O)O)ccc1Cl Amb6335909 [0,2,0,0,0,0|1,0,1]=4 4898 B13R1.511 Cc1cc(OCC(=O)O)ccc1F Amb27159118 [0,2,0,0,0,0|1,0,1]=4 4899 B13R1.511 Cc1cc(OCC(=O)O)ccc1N Amb6814630 [0,2,0,0,0,0|1,0,1]=4 4900 B13R1.511 Cc1cc(SCC(=O)O)ccc1Cl Amb17082997 [0,2,0,0,0,0|1,0,1]=4 4901 B13R1.511 Cc1cc(SCC(=O)O)ccc1F Amb17082986 [0,2,0,0,0,0|1,0,1]=4 4902 B13R1.511 Cc1cc(\C=C/C(N)=O)ccc1O Amb28457265 [0,2,0,0,0,0|1,0,0]=3 4903 B13R1.511 Cc1cc(\C=C\C(=O)O)ccc1Br Amb17204663 [0,2,0,0,0,0|0,0,0]=2 4904 B13R1.511 Cc1cc(\C=C\C(=O)O)ccc1Cl Amb33052715 [0,2,0,0,0,0|0,0,0]=2 4905 B13R1.511 Cc1cc(\C=C\C(=O)O)ccc1F Amb33956837 [0,2,0,0,0,0|0,0,0]=2 4906 B13R1.511 Cc1cc(\C=C\C(=O)O)ccc1N Amb24558400 [0,2,0,0,0,0|0,0,0]=2 4907 B13R1.511 Cc1cc(\C=C\C(=O)O)ccc1O Amb26314130 [0,2,0,0,0,0|0,0,0]=2 4908 B13R1.511 Cc1cc(\C=C\C(=O)O)cnc1Cl Amb33058595 [0,2,0,0,0,0|1,0,0]=3 4909 B13R1.511 Cc1cc(\C=C\C(=O)O)cnc1N Amb26653084 [0,2,0,0,0,0|1,0,0]=3 4910 B13R1.511 Cc1cc(\C=C\C(N)=O)ccc1Cl Amb27843460 [0,2,0,0,0,0|1,0,0]=3 4911 B13R1.511 Cc1cc(\C=C\N(=O)=O)ccc1O Amb8391467 [0,2,0,0,0,0|1,0,1]=4 4912 B13R1.511 Cc1cc(\C=C\[N+](=O)[O-])ccc1Br Amb25756424 [0,2,0,0,0,0|1,0,1]=4 4913 B13R1.511 Cc1cc(\C=C\[N+](=O)[O-])ccc1F Amb18796398 [0,2,0,0,0,0|1,0,1]=4 4914 B13R1.511 Cc1ccc(C#CC(=O)O)cc1Br Amb27772054 [0,2,0,0,0,0|0,0,2]=4 4915 B13R1.511 Cc1ccc(C#CC(=O)O)cc1C Amb17138717 [0,2,0,0,0,0|0,0,2]=4 4916 B13R1.511 Cc1ccc(C#CC(=O)O)cc1Cl Amb27205431 [0,2,0,0,0,0|0,0,2]=4 4917 B13R1.511 Cc1ccc(C#CC(=O)O)cc1N Amb32989991 [0,2,0,0,0,0|0,0,2]=4 4918 B13R1.511 Cc1ccc(CCC(=O)O)cc1Br Amb17204664 [0,2,0,0,0,0|0,0,2]=4 4919 B13R1.511 Cc1ccc(CCC(=O)O)cc1C Amb3934504 [0,2,0,0,0,0|0,0,2]=4 4920 B13R1.511 Cc1ccc(CCC(=O)O)cc1Cl Amb1672954 [0,2,0,0,0,0|0,0,2]=4 4921 B13R1.511 Cc1ccc(CCC(=O)O)cc1F Amb8496557 [0,2,0,0,0,0|0,0,2]=4 4922 B13R1.511 Cc1ccc(CCC(=O)O)cc1N Amb12805614 [0,2,0,0,0,0|0,0,2]=4 4923 B13R1.511 Cc1ccc(CCC(=O)O)cc1O Amb22524477 [0,2,0,0,0,0|0,0,2]=4 4924 B13R1.511 Cc1ccc(NCC(=O)O)cc1Br Amb17410955 [0,2,0,0,0,0|1,0,1]=4 4925 B13R1.511 Cc1ccc(NCC(=O)O)cc1C Amb840534 [0,2,0,0,0,0|1,0,1]=4 4926 B13R1.511 Cc1ccc(NCC(=O)O)cc1Cl Amb4598577 [0,2,0,0,0,0|1,0,1]=4 4927 B13R1.511 Cc1ccc(NCC(=O)O)cc1F Amb7764640 [0,2,0,0,0,0|1,0,1]=4 4928 B13R1.511 Cc1ccc(NCC(=O)O)cc1I Amb27644287 [0,2,0,0,0,0|1,0,1]=4 4929 B13R1.511 Cc1ccc(OCC(=O)O)cc1Br Amb18661640 [0,2,0,0,0,0|1,0,1]=4 4930 B13R1.511 Cc1ccc(OCC(=O)O)cc1C Amb6336450 [0,2,0,0,0,0|1,0,1]=4 4931 B13R1.511 Cc1ccc(OCC(=O)O)cc1Cl Amb2747634 [0,2,0,0,0,0|1,0,1]=4 4932 B13R1.511 Cc1ccc(OCC(=O)O)cc1F Amb26846752 [0,2,0,0,0,0|1,0,1]=4 4933 B13R1.511 Cc1ccc(OCC(=O)O)cc1N Amb21984339 [0,2,0,0,0,0|1,0,1]=4 4934 B13R1.511 Cc1ccc(OCC(=O)O)cc1O Amb33427546 [0,2,0,0,0,0|1,0,1]=4 4935 B13R1.511 Cc1ccc(SCC(=O)O)cc1C Amb1215352 [0,2,0,0,0,0|1,0,1]=4 4936 B13R1.511 Cc1ccc(\C=C\B(O)O)cc1Cl Amb27475852 [0,2,0,0,0,0|1,0,1]=4 4937 B13R1.511 Cc1ccc(\C=C\B(O)O)cc1F Amb28078052 [0,2,0,0,0,0|1,0,1]=4 4938 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1Br Amb17204661 [0,2,0,0,0,0|0,0,0]=2 4939 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1C Amb6297820 [0,2,0,0,0,0|0,0,0]=2 4940 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1Cl Amb33868854 [0,2,0,0,0,0|0,0,0]=2 4941 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1F Amb24099983 [0,2,0,0,0,0|0,0,0]=2 4942 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1I Amb27259235 [0,2,0,0,0,0|0,0,0]=2 4943 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1N Amb25060132 [0,2,0,0,0,0|0,0,0]=2 4944 B13R1.511 Cc1ccc(\C=C\C(=O)O)cc1O Amb33473926 [0,2,0,0,0,0|0,0,0]=2 4945 B13R1.511 Cc1ccc(\C=C\C(=O)O)nc1C Amb33470101 [0,2,0,0,0,0|1,0,0]=3 4946 B13R1.511 Cc1ccc(\C=C\C(N)=O)cc1C Amb28059796 [0,2,0,0,0,0|1,0,0]=3 4947 B13R1.511 Cc1ccc(\C=C\C(N)=O)cc1F Amb27843469 [0,2,0,0,0,0|1,0,0]=3 4948 B13R1.511 Cc1ccc(\C=C\[N+](=O)[O-])cc1Br Amb3617800 [0,2,0,0,0,0|1,0,1]=4 4949 B13R1.511 Cc1ccc(\C=C\[N+](=O)[O-])cc1C Amb18180642 [0,2,0,0,0,0|1,0,1]=4 4950 B13R1.511 Cc1ccc(\C=C\[N+](=O)[O-])cc1Cl Amb33261777 [0,2,0,0,0,0|1,0,1]=4 4951 B13R1.511 Cc1ccc(\C=C\[N+](=O)[O-])cc1F Amb25805660 [0,2,0,0,0,0|1,0,1]=4 4952 B13R1.511 Cc1ccc(\C=C\[N+](=O)[O-])cc1O Amb33310492 [0,2,0,0,0,0|1,0,1]=4 4953 B13R1.511 NC(=O)\C=C/c1ccc(O)c(Cl)c1 Amb28046814 [0,2,0,0,0,0|1,0,0]=3 4954 B13R1.511 NC(=O)\C=C\c1ccc(Br)c(N)c1 Amb23494339 [0,2,0,0,0,0|1,0,0]=3 4955 B13R1.511 NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 Amb8997754 [0,2,0,0,0,0|1,0,0]=3 4956 B13R1.511 NC(=O)\C=C\c1ccc(Cl)c(N)c1 Amb23494491 [0,2,0,0,0,0|1,0,0]=3 4957 B13R1.511 NC(=O)\C=C\c1ccc(O)c(Br)c1 Amb24572851 [0,2,0,0,0,0|1,0,0]=3 4958 B13R1.511 NC(=O)\C=C\c1ccc(O)c(O)c1 Amb33756869 [0,2,0,0,0,0|1,0,0]=3 4959 B13R1.511 NC(=S)\C=C\c1ccc(Cl)c(Cl)c1 Amb28066115 [0,2,0,0,0,0|1,1,0]=4 4960 B13R1.511 Nc1cc(C#CC(=O)O)ccc1Cl Amb32990013 [0,2,0,0,0,0|0,0,2]=4 4961 B13R1.511 Nc1cc(CCC(=O)O)ccc1Cl Amb17477739 [0,2,0,0,0,0|0,0,2]=4 4962 B13R1.511 Nc1cc(CCC(=O)O)ccc1F Amb27610340 [0,2,0,0,0,0|0,0,2]=4 4963 B13R1.511 Nc1cc(CCC(=O)O)ccc1O Amb2697319 [0,2,0,0,0,0|0,0,2]=4 4964 B13R1.511 Nc1cc(CCC(=O)O)ccc1S Amb27616052 [0,2,0,0,0,0|0,0,2]=4 4965 B13R1.511 Nc1cc(\C=C/C(=O)O)ccc1Cl Amb22757324 [0,2,0,0,0,0|0,0,0]=2 4966 B13R1.511 Nc1cc(\C=C\C(=O)O)ccc1Br Amb23494344 [0,2,0,0,0,0|0,0,0]=2 4967 B13R1.511 Nc1cc(\C=C\C(=O)O)ccc1Cl Amb23494478 [0,2,0,0,0,0|0,0,0]=2 4968 B13R1.511 Nc1cc(\C=C\C(=O)O)ccc1F Amb25689010 [0,2,0,0,0,0|0,0,0]=2 4969 B13R1.511 Nc1cc(\C=C\C(=O)O)ccc1I Amb24385961 [0,2,0,0,0,0|0,0,0]=2 4970 B13R1.511 Nc1ccc(C#CC(=O)O)cc1Cl Amb24470045 [0,2,0,0,0,0|0,0,2]=4 4971 B13R1.511 Nc1ccc(C#CC(=O)O)cc1F Amb32989962 [0,2,0,0,0,0|0,0,2]=4 4972 B13R1.511 Nc1ccc(CCC(=O)O)cc1F Amb25667707 [0,2,0,0,0,0|0,0,2]=4 4973 B13R1.511 Nc1ccc(CCC(=O)O)cc1F Amb33339169 [0,2,0,0,0,0|0,0,2]=4 4974 B13R1.511 Nc1ccc(CCC(=O)O)cc1N Amb17202021 [0,2,0,0,0,0|0,0,2]=4 4975 B13R1.511 Nc1ccc(CCC(=O)O)cc1S Amb18273646 [0,2,0,0,0,0|0,0,2]=4 4976 B13R1.511 Nc1ccc(OCC(=O)O)cc1Br Amb9317202 [0,2,0,0,0,0|1,0,1]=4 4977 B13R1.511 Nc1ccc(SCC(=O)O)cc1F Amb28139993 [0,2,0,0,0,0|1,0,1]=4 4978 B13R1.511 Nc1ccc(\C=C\C(=O)O)cc1Cl Amb22756270 [0,2,0,0,0,0|0,0,0]=2 4979 B13R1.511 Nc1ccc(\C=C\C(=O)O)cc1N Amb32652664 [0,2,0,0,0,0|0,0,0]=2 4980 B13R1.511 Nc1ccc(\C=C\C(=O)O)cc1N Amb32652666 [0,2,0,0,0,0|0,0,0]=2 4981 B13R1.511 Nc1ccc(\C=C\C(=O)O)cc1N Amb32664195 [0,2,0,0,0,0|0,0,0]=2 4982 B13R1.511 O=C(Cl)\C=C\c1ccc(Cl)c(Cl)c1 Amb16230250 [0,2,0,0,0,0|1,0,0]=3 4983 B13R1.511 O=C(Cl)\C=C\c1ccc(F)c(Br)c1 Amb2685236 [0,2,0,0,0,0|1,0,0]=3 4984 B13R1.511 O=C(Cl)\C=C\c1ccc(F)c(F)c1 Amb20621019 [0,2,0,0,0,0|1,0,0]=3 4985 B13R1.511 O=C(O)C#Cc1ccc(Br)c(F)c1 Amb27480228 [0,2,0,0,0,0|0,0,2]=4 4986 B13R1.511 O=C(O)C#Cc1ccc(Cl)c(Cl)c1 Amb20673100 [0,2,0,0,0,0|0,0,2]=4 4987 B13R1.511 O=C(O)C#Cc1ccc(Cl)c(F)c1 Amb27602678 [0,2,0,0,0,0|0,0,2]=4 4988 B13R1.511 O=C(O)C#Cc1ccc(F)c(Br)c1 Amb24633745 [0,2,0,0,0,0|0,0,2]=4 4989 B13R1.511 O=C(O)C#Cc1ccc(F)c(Cl)c1 Amb26028335 [0,2,0,0,0,0|0,0,2]=4 4990 B13R1.511 O=C(O)C#Cc1ccc(F)c(F)c1 Amb27408667 [0,2,0,0,0,0|0,0,2]=4 4991 B13R1.511 O=C(O)CCc1ccc(Br)c(Br)c1 Amb27180753 [0,2,0,0,0,0|0,0,2]=4 4992 B13R1.511 O=C(O)CCc1ccc(Br)c(Cl)c1 Amb31072 [0,2,0,0,0,0|0,0,2]=4 4993 B13R1.511 O=C(O)CCc1ccc(Br)c(F)c1 Amb25040485 [0,2,0,0,0,0|0,0,2]=4 4994 B13R1.511 O=C(O)CCc1ccc(Br)c(I)c1 Amb26611851 [0,2,0,0,0,0|0,0,2]=4 4995 B13R1.511 O=C(O)CCc1ccc(Br)c(O)c1 Amb27488336 [0,2,0,0,0,0|0,0,2]=4 4996 B13R1.511 O=C(O)CCc1ccc(Br)c(S)c1 Amb27613912 [0,2,0,0,0,0|0,0,2]=4 4997 B13R1.511 O=C(O)CCc1ccc(Cl)c(Br)c1 Amb26595171 [0,2,0,0,0,0|0,0,2]=4 4998 B13R1.511 O=C(O)CCc1ccc(Cl)c(Cl)c1 Amb1395830 [0,2,0,0,0,0|0,0,2]=4 4999 B13R1.511 O=C(O)CCc1ccc(Cl)c(F)c1 Amb8496556 [0,2,0,0,0,0|0,0,2]=4 5000 B13R1.511 O=C(O)CCc1ccc(Cl)c(I)c1 Amb24638909 [0,2,0,0,0,0|0,0,2]=4 5001 B13R1.511 O=C(O)CCc1ccc(Cl)c(O)c1 Amb27390087 [0,2,0,0,0,0|0,0,2]=4 5002 B13R1.511 O=C(O)CCc1ccc(Cl)c(S)c1 Amb27239028 [0,2,0,0,0,0|0,0,2]=4 5003 B13R1.511 O=C(O)CCc1ccc(F)c(Br)c1 Amb9384326 [0,2,0,0,0,0|0,0,2]=4 5004 B13R1.511 O=C(O)CCc1ccc(F)c(Cl)c1 Amb3934510 [0,2,0,0,0,0|0,0,2]=4 5005 B13R1.511 O=C(O)CCc1ccc(F)c(F)c1 Amb3939002 [0,2,0,0,0,0|0,0,2]=4 5006 B13R1.511 O=C(O)CCc1ccc(F)c(I)c1 Amb26995915 [0,2,0,0,0,0|0,0,2]=4 5007 B13R1.511 O=C(O)CCc1ccc(F)c(O)c1 Amb27442494 [0,2,0,0,0,0|0,0,2]=4 5008 B13R1.511 O=C(O)CCc1ccc(F)c(S)c1 Amb27423509 [0,2,0,0,0,0|0,0,2]=4 5009 B13R1.511 O=C(O)CCc1ccc(I)c(F)c1 Amb27181180 [0,2,0,0,0,0|0,0,2]=4 5010 B13R1.511 O=C(O)CCc1ccc(I)c(I)c1 Amb27192523 [0,2,0,0,0,0|0,0,2]=4 5011 B13R1.511 O=C(O)CCc1ccc(I)c(O)c1 Amb27608327 [0,2,0,0,0,0|0,0,2]=4 5012 B13R1.511 O=C(O)CCc1ccc(O)c(Br)c1 Amb5770152 [0,2,0,0,0,0|0,0,2]=4 5013 B13R1.511 O=C(O)CCc1ccc(O)c(Cl)c1 Amb17507130 [0,2,0,0,0,0|0,0,2]=4 5014 B13R1.511 O=C(O)CCc1ccc(O)c(F)c1 Amb18648837 [0,2,0,0,0,0|0,0,2]=4 5015 B13R1.511 O=C(O)CCc1ccc(O)c(I)c1 Amb24349621 [0,2,0,0,0,0|0,0,2]=4 5016 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 Amb3940331 [0,2,0,0,0,0|0,0,2]=4 5017 B13R1.511 O=C(O)CCc1ccc(S)c(F)c1 Amb27637401 [0,2,0,0,0,0|0,0,2]=4 5018 B13R1.511 O=C(O)CCc1ccc(S)c(I)c1 Amb27423697 [0,2,0,0,0,0|0,0,2]=4 5019 B13R1.511 O=C(O)CCc1ccc(S)c(O)c1 Amb28423945 [0,2,0,0,0,0|0,0,2]=4 5020 B13R1.511 O=C(O)CNc1ccc(Br)c(F)c1 Amb27771500 [0,2,0,0,0,0|1,0,1]=4 5021 B13R1.511 O=C(O)CNc1ccc(Cl)c(Cl)c1 Amb840535 [0,2,0,0,0,0|1,0,1]=4 5022 B13R1.511 O=C(O)CNc1ccc(Cl)c(F)c1 Amb18978382 [0,2,0,0,0,0|1,0,1]=4 5023 B13R1.511 O=C(O)CNc1ccc(F)c(Cl)c1 Amb4598614 [0,2,0,0,0,0|1,0,1]=4 5024 B13R1.511 O=C(O)CNc1ccc(F)c(F)c1 Amb7764641 [0,2,0,0,0,0|1,0,1]=4 5025 B13R1.511 O=C(O)CNc1ccc(O)c(O)c1 Amb26880837 [0,2,0,0,0,0|1,0,1]=4 5026 B13R1.511 O=C(O)COc1ccc(Br)c(Cl)c1 Amb26949699 [0,2,0,0,0,0|1,0,1]=4 5027 B13R1.511 O=C(O)COc1ccc(Br)c(F)c1 Amb26039266 [0,2,0,0,0,0|1,0,1]=4 5028 B13R1.511 O=C(O)COc1ccc(Cl)c(Br)c1 Amb32946385 [0,2,0,0,0,0|1,0,1]=4 5029 B13R1.511 O=C(O)COc1ccc(Cl)c(Cl)c1 Amb1113587 [0,2,0,0,0,0|1,0,1]=4 5030 B13R1.511 O=C(O)COc1ccc(Cl)c(F)c1 Amb4574104 [0,2,0,0,0,0|1,0,1]=4 5031 B13R1.511 O=C(O)COc1ccc(Cl)c(I)c1 Amb27219502 [0,2,0,0,0,0|1,0,1]=4 5032 B13R1.511 O=C(O)COc1ccc(F)c(Br)c1 Amb25836136 [0,2,0,0,0,0|1,0,1]=4 5033 B13R1.511 O=C(O)COc1ccc(F)c(Cl)c1 Amb6335906 [0,2,0,0,0,0|1,0,1]=4 5034 B13R1.511 O=C(O)COc1ccc(F)c(F)c1 Amb33536794 [0,2,0,0,0,0|1,0,1]=4 5035 B13R1.511 O=C(O)COc1ccc(O)c(Br)c1 Amb33388930 [0,2,0,0,0,0|1,0,1]=4 5036 B13R1.511 O=C(O)COc1ccc(O)c(Cl)c1 Amb33261335 [0,2,0,0,0,0|1,0,1]=4 5037 B13R1.511 O=C(O)COc1ccc(O)c(F)c1 Amb33420826 [0,2,0,0,0,0|1,0,1]=4 5038 B13R1.511 O=C(O)COc1ccc(O)c(O)c1 Amb33378716 [0,2,0,0,0,0|1,0,1]=4 5039 B13R1.511 O=C(O)CSc1ccc(Br)c(Cl)c1 Amb27842133 [0,2,0,0,0,0|1,0,1]=4 5040 B13R1.511 O=C(O)CSc1ccc(Cl)c(Cl)c1 Amb4022341 [0,2,0,0,0,0|1,0,1]=4 5041 B13R1.511 O=C(O)CSc1ccc(F)c(F)c1 Amb50599 [0,2,0,0,0,0|1,0,1]=4 5042 B13R1.511 O=C(O)\C=C\c1ccc(Br)c(Cl)c1 Amb1547898 [0,2,0,0,0,0|0,0,0]=2 5043 B13R1.511 O=C(O)\C=C\c1ccc(Br)c(F)c1 Amb20171336 [0,2,0,0,0,0|0,0,0]=2 5044 B13R1.511 O=C(O)\C=C\c1ccc(Br)c(I)c1 Amb24057378 [0,2,0,0,0,0|0,0,0]=2 5045 B13R1.511 O=C(O)\C=C\c1ccc(Cl)c(Br)c1 Amb33242474 [0,2,0,0,0,0|0,0,0]=2 5046 B13R1.511 O=C(O)\C=C\c1ccc(Cl)c(Cl)c1 Amb1207499 [0,2,0,0,0,0|0,0,0]=2 5047 B13R1.511 O=C(O)\C=C\c1ccc(Cl)c(F)c1 Amb6296200 [0,2,0,0,0,0|0,0,0]=2 5048 B13R1.511 O=C(O)\C=C\c1ccc(Cl)c(I)c1 Amb26891025 [0,2,0,0,0,0|0,0,0]=2 5049 B13R1.511 O=C(O)\C=C\c1ccc(F)c(Br)c1 Amb1127455 [0,2,0,0,0,0|0,0,0]=2 5050 B13R1.511 O=C(O)\C=C\c1ccc(F)c(Cl)c1 Amb34910780 [0,2,0,0,0,0|0,0,0]=2 5051 B13R1.511 O=C(O)\C=C\c1ccc(F)c(F)c1 Amb34045295 [0,2,0,0,0,0|0,0,0]=2 5052 B13R1.511 O=C(O)\C=C\c1ccc(I)c(Br)c1 Amb26576751 [0,2,0,0,0,0|0,0,0]=2 5053 B13R1.511 O=C(O)\C=C\c1ccc(O)c(Br)c1 Amb6296436 [0,2,0,0,0,0|0,0,0]=2 5054 B13R1.511 O=C(O)\C=C\c1ccc(O)c(Cl)c1 Amb6297019 [0,2,0,0,0,0|0,0,0]=2 5055 B13R1.511 O=C(O)\C=C\c1ccc(O)c(F)c1 Amb8855329 [0,2,0,0,0,0|0,0,0]=2 5056 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 Amb8513129 [0,2,0,0,0,0|0,0,0]=2 5057 B13R1.511 O=C(O)\C=C\c1cnc(Cl)c(Cl)c1 Amb25346296 [0,2,0,0,0,0|1,0,0]=3 5058 B13R1.511 O=C([O-])\C=C\c1ccc(F)c(F)c1 Amb33513182 [0,2,0,0,0,0|0,0,1]=3 5059 B13R1.511 O=[N+]([O-])\C=C\c1ccc(Br)c(Br)c1 Amb25158670 [0,2,0,0,0,0|1,0,1]=4 5060 B13R1.511 O=[N+]([O-])\C=C\c1ccc(Br)c(Cl)c1 Amb25158725 [0,2,0,0,0,0|1,0,1]=4 5061 B13R1.511 O=[N+]([O-])\C=C\c1ccc(Br)c(F)c1 Amb33430196 [0,2,0,0,0,0|1,0,1]=4 5062 B13R1.511 O=[N+]([O-])\C=C\c1ccc(Cl)c(Br)c1 Amb33451378 [0,2,0,0,0,0|1,0,1]=4 5063 B13R1.511 O=[N+]([O-])\C=C\c1ccc(Cl)c(Cl)c1 Amb33052294 [0,2,0,0,0,0|1,0,1]=4 5064 B13R1.511 O=[N+]([O-])\C=C\c1ccc(Cl)c(F)c1 Amb25695229 [0,2,0,0,0,0|1,0,1]=4 5065 B13R1.511 O=[N+]([O-])\C=C\c1ccc(F)c(Br)c1 Amb33430224 [0,2,0,0,0,0|1,0,1]=4 5066 B13R1.511 O=[N+]([O-])\C=C\c1ccc(F)c(Cl)c1 Amb27643113 [0,2,0,0,0,0|1,0,1]=4 5067 B13R1.511 O=[N+]([O-])\C=C\c1ccc(F)c(F)c1 Amb6297494 [0,2,0,0,0,0|1,0,1]=4 5068 B13R1.511 O=[N+]([O-])\C=C\c1ccc(O)c(Br)c1 Amb33388602 [0,2,0,0,0,0|1,0,1]=4 5069 B13R1.511 O=[N+]([O-])\C=C\c1ccc(O)c(Cl)c1 Amb4300297 [0,2,0,0,0,0|1,0,1]=4 5070 B13R1.511 O=[N+]([O-])\C=C\c1ccc(O)c(F)c1 Amb24663913 [0,2,0,0,0,0|1,0,1]=4 5071 B13R1.511 O=[N+]([O-])\C=C\c1ccc(O)c(I)c1 Amb1832146 [0,2,0,0,0,0|1,0,1]=4 5072 B13R1.511 O=[N+]([O-])\C=C\c1ccc(O)c(O)c1 Amb3788320 [0,2,0,0,0,0|1,0,1]=4 5073 B13R1.511 OB(O)\C=C\c1ccc(F)c(Cl)c1 Amb30027337 [0,2,0,0,0,0|1,0,1]=4 5074 B13R1.511 OB(O)\C=C\c1ccc(F)c(F)c1 Amb27608821 [0,2,0,0,0,0|1,0,1]=4 5075 B13R1.512 CC(C)(O)\C=C\c1ccc(F)cc1 Amb33326584 [0,2,0,0,0,0|1,0,1]=4 5076 B13R1.512 CS(=O)(=O)\C=C\c1ccc(F)cc1 Amb23596090 [0,2,0,0,0,0|1,0,1]=4 5077 B13R1.512 Cc1ccc(\C=C\S(=O)(=O)Cl)cc1 Amb9204165 [0,2,0,0,0,0|1,0,1]=4 5078 B13R1.512 Cc1ccc(\C=C\S(=O)(=O)F)cc1 Amb32663471 [0,2,0,0,0,0|1,0,1]=4 5079 B13R1.512 Cc1ccc(\C=C\S(C)(=O)=O)cc1 Amb23596089 [0,2,0,0,0,0|1,0,1]=4 5080 B13R1.512 Cc1ccc(\C=C\S(N)(=O)=O)cc1 Amb32665526 [0,2,0,0,0,0|1,0,1]=4 5081 B13R1.512 NS(=O)(=O)\C=C\c1ccc(Br)cc1 Amb32665527 [0,2,0,0,0,0|1,0,1]=4 5082 B13R1.512 NS(=O)(=O)\C=C\c1ccc(Cl)cc1 Amb32665522 [0,2,0,0,0,0|1,0,1]=4 5083 B13R1.512 NS(=O)(=O)\C=C\c1ccc(F)cc1 Amb9393840 [0,2,0,0,0,0|1,0,1]=4 5084 B13R1.512 O=P(O)(O)\C=C\c1ccc(O)cc1 Amb24550646 [0,2,0,0,0,0|1,0,0]=3 5085 B13R1.512 O=S(=O)(Cl)\C=C\c1ccc(Br)cc1 Amb9393815 [0,2,0,0,0,0|1,0,1]=4 5086 B13R1.512 O=S(=O)(Cl)\C=C\c1ccc(Cl)cc1 Amb411981 [0,2,0,0,0,0|1,0,1]=4 5087 B13R1.512 O=S(=O)(Cl)\C=C\c1ccc(F)cc1 Amb9393806 [0,2,0,0,0,0|1,0,1]=4 5088 B13R1.512 O=S(=O)(F)\C=C\c1ccc(Br)cc1 Amb32716824 [0,2,0,0,0,0|1,0,1]=4 5089 B13R1.512 O=S(=O)(F)\C=C\c1ccc(Cl)cc1 Amb32663470 [0,2,0,0,0,0|1,0,1]=4 5090 B13R1.512 O=S(=O)(F)\C=C\c1ccc(F)cc1 Amb33059724 [0,2,0,0,0,0|1,0,1]=4 5091 B13R1.11 C#CC(O)\C=C(\C)c1ccccc1 Amb28321394 [0,2,0,0,0,0|1,0,1]=4 5092 B13R1.11 C=C(NC(=O)CC)c1ccccc1 Amb26619762 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.11 C=C(\C=C(\C)C=O)c1ccccc1 Amb28052708 [0,2,0,0,0,0|1,0,0]=3 5094 B13R1.11 C=CC(=O)\C=C(\N)c1ccccc1 Amb27984681 [0,2,0,0,0,0|1,0,0]=3 5095 B13R1.11 C=C\C(C)=C/C(=O)c1ccccc1 Amb27256419 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.11 CC(=C=C(C)c1ccccc1)CO Amb17594413 [0,2,0,0,0,0|1,0,1]=4 5097 B13R1.11 CC(NC(=O)CO)c1ccccc1 Amb1110697 [0,2,0,0,0,0|1,0,1]=4 5098 B13R1.11 CC(\C=C(\F)CO)c1ccccc1 Amb27662130 [0,2,0,0,0,0|1,0,1]=4 5099 B13R1.11 CCC(=O)CC(=O)c1ccccc1 Amb7766301 [0,2,0,0,0,0|1,0,1]=4 5100 B13R1.11 CCC(=O)OC(=O)c1ccccc1 Amb22500123 [0,2,0,0,0,0|2,0,0]=4 5101 B13R1.11 CCC(=O)\C=C(/C)c1ccccc1 Amb27802793 [0,2,0,0,0,0|1,0,0]=3 5102 B13R1.11 CCC(=O)\C=C(\N)c1ccccc1 Amb27252260 [0,2,0,0,0,0|1,0,0]=3 5103 B13R1.11 CC[C@H](O)\C=C(\C)c1ccccc1 Amb27255183 [0,2,0,0,0,0|1,0,1]=4 5104 B13R1.11 CN(CC(=O)NO)c1ccccc1 Amb28284032 [0,2,0,0,0,0|1,0,1]=4 5105 B13R1.11 CN(\C=C(\O)C=O)c1ccccc1 Amb28285657 [0,2,0,0,0,0|1,0,0]=3 5106 B13R1.11 CNC(=O)CC(=O)c1ccccc1 Amb24361603 [0,2,0,0,0,0|1,0,1]=4 5107 B13R1.11 CNC(=O)NC(=O)c1ccccc1 Amb28287343 [0,2,0,0,0,0|2,0,0]=4 5108 B13R1.11 CNC(=O)\C=C(/C)c1ccccc1 Amb27860376 [0,2,0,0,0,0|1,0,0]=3 5109 B13R1.11 CNC(=O)\C=C(\C)c1ccncc1 Amb27256011 [0,2,0,0,0,0|2,0,0]=4 5110 B13R1.11 CNC(=O)\C=C(\O)c1ccccc1 Amb8492599 [0,2,0,0,0,0|1,0,0]=3 5111 B13R1.11 CNC(=O)\C=C(\S)c1ccccc1 Amb27464395 [0,2,0,0,0,0|1,0,0]=3 5112 B13R1.11 CN\C(C)=C/C(=S)c1ccccc1 Amb27667972 [0,2,0,0,0,0|2,0,0]=4 5113 B13R1.11 COC(=O)CC(=O)c1ccccc1 Amb10553935 [0,2,0,0,0,0|0,0,1]=3 5114 B13R1.11 COC(=O)CC(=O)c1ccccn1 Amb21857821 [0,2,0,0,0,0|1,0,1]=4 5115 B13R1.11 COC(=O)CC(=O)c1cccnc1 Amb2691246 [0,2,0,0,0,0|1,0,1]=4 5116 B13R1.11 COC(=O)CC(=O)c1ccncc1 Amb33527282 [0,2,0,0,0,0|1,0,1]=4 5117 B13R1.11 COC(=O)CC(C)c1ccccc1 Amb17843427 [0,2,0,0,0,0|0,0,2]=4 5118 B13R1.11 COC(=O)CC(N)c1ccccc1 Amb1221582 [0,2,0,0,0,0|0,0,2]=4 5119 B13R1.11 COC(=O)CC(N)c1ccccc1 Amb2371447 [0,2,0,0,0,0|0,0,2]=4 5120 B13R1.11 COC(=O)CC(O)c1ccccc1 Amb22731500 [0,2,0,0,0,0|0,0,2]=4 5121 B13R1.11 COC(=O)CS(=O)c1ccccc1 Amb2774190 [0,2,0,0,0,0|1,0,1]=4 5122 B13R1.11 COC(=O)C[C@@H](N)c1ccccc1 Amb18796125 [0,2,0,0,0,0|0,0,2]=4 5123 B13R1.11 COC(=O)C[C@@H](N)c1ccccc1 Amb19373681 [0,2,0,0,0,0|0,0,2]=4 5124 B13R1.11 COC(=O)C[C@@H](O)c1ccccc1 Amb6357238 [0,2,0,0,0,0|0,0,2]=4 5125 B13R1.11 COC(=O)C[C@H](N)c1ccccc1 Amb17617178 [0,2,0,0,0,0|0,0,2]=4 5126 B13R1.11 COC(=O)C[C@H](N)c1ccccc1 Amb22268691 [0,2,0,0,0,0|0,0,2]=4 5127 B13R1.11 COC(=O)C[C@H](N)c1ccccc1 Amb33801673 [0,2,0,0,0,0|0,0,2]=4 5128 B13R1.11 COC(=O)C[C@H](O)c1ccccc1 Amb8516703 [0,2,0,0,0,0|0,0,2]=4 5129 B13R1.11 COC(=O)NC(=N)c1ccccc1 Amb25254191 [0,2,0,0,0,0|1,0,0]=3 5130 B13R1.11 COC(=O)NC(O)c1ccccc1 Amb27413659 [0,2,0,0,0,0|1,0,1]=4 5131 B13R1.11 COC(=O)OC(=O)c1ccccn1 Amb32658041 [0,2,0,0,0,0|2,0,0]=4 5132 B13R1.11 COC(=O)\C=C(/C)c1ccccn1 Amb33529166 [0,2,0,0,0,0|1,0,0]=3 5133 B13R1.11 COC(=O)\C=C(/C)c1cccnc1 Amb33551487 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.11 COC(=O)\C=C(/C)c1ccncc1 Amb32644786 [0,2,0,0,0,0|1,0,0]=3 5135 B13R1.11 COC(=O)\C=C(/C)c1cnccn1 Amb33528493 [0,2,0,0,0,0|2,0,0]=4 5136 B13R1.11 COC(=O)\C=C(/N)c1ccccc1 Amb26953655 [0,2,0,0,0,0|0,0,0]=2 5137 B13R1.11 COC(=O)\C=C(\C)c1ccccc1 Amb4035457 [0,2,0,0,0,0|0,0,0]=2 5138 B13R1.11 COC(=O)\C=C(\C)c1ccccn1 Amb28075561 [0,2,0,0,0,0|1,0,0]=3 5139 B13R1.11 COC(=O)\C=C(\C)c1cccnc1 Amb25191857 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.11 COC(=O)\C=C(\C)c1ccncc1 Amb26571261 [0,2,0,0,0,0|1,0,0]=3 5141 B13R1.11 COC(=O)\C=C(\C)c1cnccn1 Amb26464298 [0,2,0,0,0,0|2,0,0]=4 5142 B13R1.11 COC(=O)\C=C(\N)c1cccnc1 Amb27191681 [0,2,0,0,0,0|1,0,0]=3 5143 B13R1.11 COC(=S)NC(=O)c1ccccc1 Amb10553666 [0,2,0,0,0,0|1,1,0]=4 5144 B13R1.11 CO\C(C)=C\C(=O)c1ccccc1 Amb25988190 [0,2,0,0,0,0|1,0,0]=3 5145 B13R1.11 C\C(=C/C(=O)c1ccccc1)CCl Amb28044413 [0,2,0,0,0,0|2,0,0]=4 5146 B13R1.11 C\C(=C\C(=O)NO)c1ccccc1 Amb27982484 [0,2,0,0,0,0|0,0,0]=2 5147 B13R1.11 C\C(=C\C(O)c1ccccc1)CO Amb27457898 [0,2,0,0,0,0|1,0,1]=4 5148 B13R1.11 C\C(C=O)=C/C(C)c1ccccc1 Amb18647861 [0,2,0,0,0,0|1,0,1]=4 5149 B13R1.11 C\C(CC(=O)c1ccccc1)=N\O Amb27164559 [0,2,0,0,0,0|1,0,1]=4 5150 B13R1.11 NCC(=O)NC(=O)c1ccccc1 Amb25782184 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.11 NCC(=S)\C=C(\N)c1ccccc1 Amb24664310 [0,2,0,0,0,0|1,1,0]=4 5152 B13R1.11 N\C(=C/C(=O)CO)c1ccccc1 Amb27248345 [0,2,0,0,0,0|0,0,0]=2 5153 B13R1.11 N\C(=C\C(=O)CO)c1ccccc1 Amb27436162 [0,2,0,0,0,0|0,0,0]=2 5154 B13R1.11 N\C(=C\C(=O)c1ccccc1)CO Amb27493445 [0,2,0,0,0,0|1,0,0]=3 5155 B13R1.11 N\C(=N/O)NC(=O)c1ccccc1 Amb19651450 [0,2,0,0,0,0|2,0,0]=4 5156 B13R1.11 O=C(CC(Cl)c1ccccc1)NO Amb28121077 [0,2,0,0,0,0|0,0,2]=4 5157 B13R1.11 O=C(CC(O)c1ccccc1)NO Amb27213884 [0,2,0,0,0,0|0,0,2]=4 5158 B13R1.11 O=C(CCl)NC(=O)c1ccccc1 Amb6374171 [0,2,0,0,0,0|2,0,0]=4 5159 B13R1.11 O=C(CCl)NC(=S)c1ccccc1 Amb22285382 [0,2,0,0,0,0|2,0,0]=4 5160 B13R1.11 O=C(CO)NC(=O)c1ccccc1 Amb1109639 [0,2,0,0,0,0|1,0,0]=3 5161 B13R1.11 O=C(NCl)NC(=O)c1ccccc1 Amb27848986 [0,2,0,0,0,0|2,0,0]=4 5162 B13R1.11 O=C(\C=C(/Cl)CCl)c1ccccc1 Amb25780102 [0,2,0,0,0,0|2,0,0]=4 5163 B13R1.15 C=CC(=O)\C=C\c1cccc(Br)c1 Amb33503220 [0,2,0,0,0,0|1,0,0]=3 5164 B13R1.15 C=CC(=O)\C=C\c1cccc(C)c1 Amb33503234 [0,2,0,0,0,0|1,0,0]=3 5165 B13R1.15 C=CC(=O)\C=C\c1cccc(Cl)c1 Amb33503240 [0,2,0,0,0,0|1,0,0]=3 5166 B13R1.15 C=CC(=O)\C=C\c1cccc(F)c1 Amb33503227 [0,2,0,0,0,0|1,0,0]=3 5167 B13R1.15 CNC(=O)\C=C/c1cccc(F)c1 Amb27793059 [0,2,0,0,0,0|1,0,0]=3 5168 B13R1.15 CNC(=O)\C=C\c1cccc(N)c1 Amb17138777 [0,2,0,0,0,0|1,0,0]=3 5169 B13R1.15 CNC(=O)\C=C\c1cncc(C)c1 Amb27810299 [0,2,0,0,0,0|2,0,0]=4 5170 B13R1.15 COC(=O)C#Cc1cccc(Br)c1 Amb26367370 [0,2,0,0,0,0|0,0,2]=4 5171 B13R1.15 COC(=O)C#Cc1cccc(C)c1 Amb27169780 [0,2,0,0,0,0|0,0,2]=4 5172 B13R1.15 COC(=O)C#Cc1cccc(F)c1 Amb25726243 [0,2,0,0,0,0|0,0,2]=4 5173 B13R1.15 COC(=O)C#Cc1cccc(N)c1 Amb32989932 [0,2,0,0,0,0|0,0,2]=4 5174 B13R1.15 COC(=O)C#Cc1cccc(O)c1 Amb32989938 [0,2,0,0,0,0|0,0,2]=4 5175 B13R1.15 COC(=O)CCc1cccc(Br)c1 Amb17410710 [0,2,0,0,0,0|0,0,2]=4 5176 B13R1.15 COC(=O)CCc1cccc(C)c1 Amb17400661 [0,2,0,0,0,0|0,0,2]=4 5177 B13R1.15 COC(=O)CCc1cccc(Cl)c1 Amb17402276 [0,2,0,0,0,0|0,0,2]=4 5178 B13R1.15 COC(=O)CCc1cccc(F)c1 Amb30868064 [0,2,0,0,0,0|0,0,2]=4 5179 B13R1.15 COC(=O)CCc1cccc(N)c1 Amb18648245 [0,2,0,0,0,0|0,0,2]=4 5180 B13R1.15 COC(=O)CCc1cccc(N)c1 Amb33533668 [0,2,0,0,0,0|0,0,2]=4 5181 B13R1.15 COC(=O)CCc1cccc(O)c1 Amb2695338 [0,2,0,0,0,0|0,0,2]=4 5182 B13R1.15 COC(=O)CNc1cccc(Br)c1 Amb6712280 [0,2,0,0,0,0|1,0,1]=4 5183 B13R1.15 COC(=O)CNc1cccc(C)c1 Amb6706758 [0,2,0,0,0,0|1,0,1]=4 5184 B13R1.15 COC(=O)CNc1cccc(Cl)c1 Amb6711877 [0,2,0,0,0,0|1,0,1]=4 5185 B13R1.15 COC(=O)CNc1cccc(F)c1 Amb6711935 [0,2,0,0,0,0|1,0,1]=4 5186 B13R1.15 COC(=O)CNc1cccc(N)c1 Amb8825462 [0,2,0,0,0,0|1,0,1]=4 5187 B13R1.15 COC(=O)CNc1cccc(O)c1 Amb27202255 [0,2,0,0,0,0|1,0,1]=4 5188 B13R1.15 COC(=O)COc1cccc(Br)c1 Amb7752993 [0,2,0,0,0,0|1,0,1]=4 5189 B13R1.15 COC(=O)COc1cccc(I)c1 Amb8830748 [0,2,0,0,0,0|1,0,1]=4 5190 B13R1.15 COC(=O)COc1cccc(N)c1 Amb1117898 [0,2,0,0,0,0|1,0,1]=4 5191 B13R1.15 COC(=O)COc1cccc(N)c1 Amb6893075 [0,2,0,0,0,0|1,0,1]=4 5192 B13R1.15 COC(=O)CSc1cccc(Br)c1 Amb30588444 [0,2,0,0,0,0|1,0,1]=4 5193 B13R1.15 COC(=O)CSc1cccc(N)c1 Amb19005104 [0,2,0,0,0,0|1,0,1]=4 5194 B13R1.15 COC(=O)NCc1cccc(Br)c1 Amb2135033 [0,2,0,0,0,0|1,0,1]=4 5195 B13R1.15 COC(=O)NCc1cccc(C)c1 Amb25133958 [0,2,0,0,0,0|1,0,1]=4 5196 B13R1.15 COC(=O)NCc1cccc(Cl)c1 Amb2023614 [0,2,0,0,0,0|1,0,1]=4 5197 B13R1.15 COC(=O)NCc1cccc(O)c1 Amb18181287 [0,2,0,0,0,0|1,0,1]=4 5198 B13R1.15 COC(=O)NNc1cccc(C)c1 Amb26991502 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.15 COC(=O)\C=C\c1cc(Cl)ccn1 Amb33469155 [0,2,0,0,0,0|1,0,0]=3 5200 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 Amb2407728 [0,2,0,0,0,0|0,0,0]=2 5201 B13R1.15 COC(=O)\C=C\c1cccc(Br)n1 Amb20248559 [0,2,0,0,0,0|1,0,0]=3 5202 B13R1.15 COC(=O)\C=C\c1cccc(C)c1 Amb27474091 [0,2,0,0,0,0|0,0,0]=2 5203 B13R1.15 COC(=O)\C=C\c1cccc(C)n1 Amb28044037 [0,2,0,0,0,0|1,0,0]=3 5204 B13R1.15 COC(=O)\C=C\c1cccc(Cl)c1 Amb34003410 [0,2,0,0,0,0|0,0,0]=2 5205 B13R1.15 COC(=O)\C=C\c1cccc(F)c1 Amb10839543 [0,2,0,0,0,0|0,0,0]=2 5206 B13R1.15 COC(=O)\C=C\c1cccc(N)c1 Amb34006706 [0,2,0,0,0,0|0,0,0]=2 5207 B13R1.15 COC(=O)\C=C\c1cccc(N)n1 Amb26916102 [0,2,0,0,0,0|1,0,0]=3 5208 B13R1.15 COC(=O)\C=C\c1cccc(O)c1 Amb18128083 [0,2,0,0,0,0|0,0,0]=2 5209 B13R1.15 COC(=O)\C=C\c1ccnc(C)n1 Amb27799554 [0,2,0,0,0,0|2,0,0]=4 5210 B13R1.15 COC(=O)\C=C\c1ccnc(Cl)c1 Amb28400500 [0,2,0,0,0,0|1,0,0]=3 5211 B13R1.15 COC(=O)\C=C\c1cncc(Br)c1 Amb25880312 [0,2,0,0,0,0|1,0,0]=3 5212 B13R1.15 COC(=O)\C=C\c1cncc(F)c1 Amb27207570 [0,2,0,0,0,0|1,0,0]=3 5213 B13R1.15 COC(=O)\C=C\c1cncc(F)c1 Amb33715482 [0,2,0,0,0,0|1,0,0]=3 5214 B13R1.15 COC(=O)\C=C\c1cncc(O)c1 Amb27649898 [0,2,0,0,0,0|1,0,0]=3 5215 B13R1.15 Cc1cccc(CCC(=O)CO)c1 Amb18065753 [0,2,0,0,0,0|0,0,2]=4 5216 B13R1.15 Cc1cccc(CCC(=O)NO)c1 Amb18186322 [0,2,0,0,0,0|0,0,2]=4 5217 B13R1.15 Cc1cccc(CNC(=O)CO)c1 Amb17400715 [0,2,0,0,0,0|1,0,1]=4 5218 B13R1.15 Cc1cccc(OCC(=O)CO)c1 Amb18065911 [0,2,0,0,0,0|1,0,1]=4 5219 B13R1.15 Cc1cccc(\C=C\C(O)CN)c1 Amb24351046 [0,2,0,0,0,0|1,0,1]=4 5220 B13R1.15 Cc1cccc(\C=C\[C@H](O)CO)c1 Amb28205938 [0,2,0,0,0,0|0,0,2]=4 5221 B13R1.15 N=C(\C=C\c1cccc(O)c1)NO Amb25176440 [0,2,0,0,0,0|1,0,0]=3 5222 B13R1.15 NC(\C=C\c1cccc(Cl)c1)CO Amb27164136 [0,2,0,0,0,0|1,0,1]=4 5223 B13R1.15 NCC(O)\C=C\c1cccc(O)c1 Amb27445520 [0,2,0,0,0,0|1,0,1]=4 5224 B13R1.15 NNC(=O)\C=C\c1cccc(Br)c1 Amb8998051 [0,2,0,0,0,0|1,0,0]=3 5225 B13R1.15 N[C@@H](\C=C\c1cccc(Cl)c1)CO Amb28317132 [0,2,0,0,0,0|1,0,1]=4 5226 B13R1.15 O=C(CCc1cccc(Cl)c1)NO Amb28293601 [0,2,0,0,0,0|0,0,2]=4 5227 B13R1.15 O=C(CCc1cccc(F)c1)NO Amb27218431 [0,2,0,0,0,0|0,0,2]=4 5228 B13R1.15 O=C(CO)CCc1cccc(Br)c1 Amb18072015 [0,2,0,0,0,0|0,0,2]=4 5229 B13R1.15 O=C(CO)CCc1cccc(Cl)c1 Amb18066486 [0,2,0,0,0,0|0,0,2]=4 5230 B13R1.15 O=C(CO)CCc1cccc(F)c1 Amb18066059 [0,2,0,0,0,0|0,0,2]=4 5231 B13R1.15 O=C(CO)COc1cccc(Br)c1 Amb18072016 [0,2,0,0,0,0|1,0,1]=4 5232 B13R1.15 O=C(CO)COc1cccc(Cl)c1 Amb18566285 [0,2,0,0,0,0|1,0,1]=4 5233 B13R1.15 O=C(CO)COc1cccc(F)c1 Amb18066126 [0,2,0,0,0,0|1,0,1]=4 5234 B13R1.15 O=C(CO)NCc1cccc(Br)c1 Amb17410951 [0,2,0,0,0,0|1,0,1]=4 5235 B13R1.15 O=C(CO)NCc1cccc(Cl)c1 Amb1111125 [0,2,0,0,0,0|1,0,1]=4 5236 B13R1.15 O=C(CO)NNc1cccc(Cl)c1 Amb27467133 [0,2,0,0,0,0|2,0,0]=4 5237 B13R1.15 O=C(COc1cccc(Br)c1)NO Amb28183018 [0,2,0,0,0,0|1,0,1]=4 5238 B13R1.15 O=C(COc1cccc(Cl)c1)NO Amb27213596 [0,2,0,0,0,0|1,0,1]=4 5239 B13R1.15 O=C(\C=C\c1cncc(F)c1)NO Amb27977385 [0,2,0,0,0,0|1,0,0]=3 5240 B13R1.42 C#CC[C@H](O)\C=C\c1ccccc1 Amb28139889 [0,2,0,0,0,0|1,0,1]=4 5241 B13R1.42 C=C(\C=C\c1ccccc1)CCN Amb33081079 [0,2,0,0,0,0|2,0,0]=4 5242 B13R1.42 C=CNC(=O)\C=C\c1ccccc1 Amb26908425 [0,2,0,0,0,0|1,0,0]=3 5243 B13R1.42 C=COC(=O)CCc1ccccc1 Amb21858909 [0,2,0,0,0,0|0,0,2]=4 5244 B13R1.42 C=COC(=O)OCc1ccccc1 Amb8471025 [0,2,0,0,0,0|1,0,1]=4 5245 B13R1.42 CC(=C\C=O)\N=C\c1ccccc1 Amb27848993 [0,2,0,0,0,0|2,0,0]=4 5246 B13R1.42 CC(\C=C\c1ccccc1)CON Amb33080786 [0,2,0,0,0,0|1,0,1]=4 5247 B13R1.42 CC(\C=C\c1ccccc1)N=C=O Amb33081322 [0,2,0,0,0,0|1,0,1]=4 5248 B13R1.42 CCNC(=O)\C=C\c1ccccc1 Amb3358403 [0,2,0,0,0,0|1,0,0]=3 5249 B13R1.42 CCOC(=O)C#Cc1ccccc1 Amb2721509 [0,2,0,0,0,0|0,0,2]=4 5250 B13R1.42 CCOC(=O)CCc1ccccc1 Amb3940133 [0,2,0,0,0,0|0,0,2]=4 5251 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [0,2,0,0,0,0|1,0,1]=4 5252 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [0,2,0,0,0,0|1,0,1]=4 5253 B13R1.42 CCOC(=O)COc1ccccc1 Amb2687923 [0,2,0,0,0,0|1,0,1]=4 5254 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [0,2,0,0,0,0|1,0,1]=4 5255 B13R1.42 CCOC(=O)NCc1ccccc1 Amb2736961 [0,2,0,0,0,0|1,0,1]=4 5256 B13R1.42 CCOC(=O)OCc1ccccc1 Amb27166327 [0,2,0,0,0,0|1,0,1]=4 5257 B13R1.42 CCOC(=O)\C=C\c1ccccc1 Amb6296621 [0,2,0,0,0,0|0,0,0]=2 5258 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb33996583 [0,2,0,0,0,0|1,0,0]=3 5259 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [0,2,0,0,0,0|1,0,0]=3 5260 B13R1.42 CCOC(=O)\C=C\c1ccncc1 Amb33870677 [0,2,0,0,0,0|1,0,0]=3 5261 B13R1.42 CCOC(=O)\C=N\c1ccccc1 Amb2609189 [0,2,0,0,0,0|1,0,0]=3 5262 B13R1.42 CNCC(=O)\C=C\c1ccccc1 Amb33081764 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.42 CNCC(O)\C=C\c1ccccc1 Amb33081784 [0,2,0,0,0,0|1,0,1]=4 5264 B13R1.42 COCC(=O)C#Cc1ccccc1 Amb28199861 [0,2,0,0,0,0|0,0,2]=4 5265 B13R1.42 COCC(=O)CSc1ccccc1 Amb32683206 [0,2,0,0,0,0|1,0,1]=4 5266 B13R1.42 COCC(=O)NCc1ccccc1 Amb2661100 [0,2,0,0,0,0|1,0,1]=4 5267 B13R1.42 CONC(=O)C#Cc1ccccc1 Amb27804951 [0,2,0,0,0,0|0,0,2]=4 5268 B13R1.42 CONC(=O)CNc1ccccc1 Amb28188422 [0,2,0,0,0,0|1,0,1]=4 5269 B13R1.42 CONC(=O)OCc1ccccc1 Amb16969956 [0,2,0,0,0,0|1,0,1]=4 5270 B13R1.42 CONC(=O)\C=C\c1ccccc1 Amb28064704 [0,2,0,0,0,0|0,0,0]=2 5271 B13R1.42 CONC(=O)\C=C\c1ccccn1 Amb27834715 [0,2,0,0,0,0|1,0,0]=3 5272 B13R1.42 CONC(=O)\C=C\c1cnccn1 Amb28051402 [0,2,0,0,0,0|2,0,0]=4 5273 B13R1.42 C\C(=C\Sc1ccccc1)N=C=O Amb27634377 [0,2,0,0,0,0|2,0,0]=4 5274 B13R1.42 C\C=C\C(=O)\C=C\c1ccccc1 Amb28074660 [0,2,0,0,0,0|1,0,0]=3 5275 B13R1.42 C\C=C\C(O)\C=C\c1ccccc1 Amb28079231 [0,2,0,0,0,0|1,0,1]=4 5276 B13R1.42 N#CCC(=O)\C=C\c1ccccc1 Amb27759542 [0,2,0,0,0,0|1,0,0]=3 5277 B13R1.42 N#CCC(O)\C=C\c1ccccc1 Amb18127055 [0,2,0,0,0,0|1,0,1]=4 5278 B13R1.42 NC(\C=C\c1ccccc1)CCO Amb32954745 [0,2,0,0,0,0|1,0,1]=4 5279 B13R1.42 NCCC(=O)\C=C\c1ccccc1 Amb33081763 [0,2,0,0,0,0|1,0,0]=3 5280 B13R1.42 NCCC(O)\C=C\c1ccccc1 Amb33081221 [0,2,0,0,0,0|1,0,1]=4 5281 B13R1.42 NCC[C@@H](O)\C=C\c1ccccc1 Amb33080768 [0,2,0,0,0,0|1,0,1]=4 5282 B13R1.42 NCC[C@H](O)\C=C\c1ccccc1 Amb33080769 [0,2,0,0,0,0|1,0,1]=4 5283 B13R1.42 NOCC(=O)OCc1ccccc1 Amb25815887 [0,2,0,0,0,0|1,0,1]=4 5284 B13R1.42 N\C=C\C(=O)\C=C\c1ccccc1 Amb28385592 [0,2,0,0,0,0|1,0,0]=3 5285 B13R1.42 O=C(CCO)NCc1ccccc1 Amb17335299 [0,2,0,0,0,0|1,0,1]=4 5286 B13R1.42 O=C(CCO)NNc1ccccc1 Amb27180414 [0,2,0,0,0,0|2,0,0]=4 5287 B13R1.42 O=C(CCO)OCc1ccccc1 Amb17609079 [0,2,0,0,0,0|1,0,1]=4 5288 B13R1.42 O=C(NCO)OCc1ccccc1 Amb10066979 [0,2,0,0,0,0|1,0,1]=4 5289 B13R1.42 O=C(\C=C/O)\C=C\c1ccccc1 Amb27750264 [0,2,0,0,0,0|0,0,0]=2 5290 B13R1.42 O=C(\C=C\O)CCc1ccccc1 Amb17777852 [0,2,0,0,0,0|0,0,2]=4 5291 B13R1.42 O=C(\C=C\c1ccccc1)N=C=S Amb2686558 [0,2,0,0,0,0|0,1,0]=3 5292 B13R1.42 O=C(\C=C\c1ccccc1)\C=N\O Amb25065153 [0,2,0,0,0,0|0,0,0]=2 5293 B13R1.42 O=C=NC(=S)\C=C\c1ccccc1 Amb27238559 [0,2,0,0,0,0|0,1,0]=3 5294 B13R1.42 O=C\C=C(Cl)\C=C\c1ccccc1 Amb27643648 [0,2,0,0,0,0|1,0,0]=3 5295 B13R1.42 [N-]=[N+]=CC(=O)\C=C\c1ccccc1 Amb20248597 [0,2,0,0,0,0|1,0,0]=3 5296 B13R1.135 C#CC(O)\C(C)=C/c1ccccc1 Amb27947010 [0,2,0,0,0,0|1,0,1]=4 5297 B13R1.135 C#CC(O)\C(Cl)=C\c1ccccc1 Amb28138693 [0,2,0,0,0,0|1,0,1]=4 5298 B13R1.135 C#C[C@@H](O)\C(C)=C/c1ccccc1 Amb27763824 [0,2,0,0,0,0|1,0,1]=4 5299 B13R1.135 C#C[C@H](O)\C(C)=C/c1ccccc1 Amb28194263 [0,2,0,0,0,0|1,0,1]=4 5300 B13R1.135 C=C(CBr)\C(C)=C\c1ccccc1 Amb33381248 [0,2,0,0,0,0|2,0,0]=4 5301 B13R1.135 C=C(CCl)\C(C)=C\c1ccccc1 Amb33381253 [0,2,0,0,0,0|2,0,0]=4 5302 B13R1.135 C=C(CN)\C(C)=C\c1ccccc1 Amb33380900 [0,2,0,0,0,0|2,0,0]=4 5303 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 Amb27653164 [0,2,0,0,0,0|2,0,0]=4 5304 B13R1.135 C=C(Cc1ccccc1)C(=O)OC Amb8390348 [0,2,0,0,0,0|0,0,1]=3 5305 B13R1.135 C=CC(=O)\C(C)=C\c1ccccc1 Amb33081532 [0,2,0,0,0,0|1,0,0]=3 5306 B13R1.135 C=CC(O)\C(C)=C\c1ccccc1 Amb33082407 [0,2,0,0,0,0|1,0,1]=4 5307 B13R1.135 CC(Oc1ccccc1)C(=O)NO Amb28064721 [0,2,0,0,0,0|1,0,1]=4 5308 B13R1.135 CC(Sc1ccccc1)C(=O)NO Amb27790142 [0,2,0,0,0,0|1,0,1]=4 5309 B13R1.135 CCC(=O)\C(C)=C\c1ccccc1 Amb27428384 [0,2,0,0,0,0|1,0,0]=3 5310 B13R1.135 CCC(=O)\C(C)=C\c1cccnc1 Amb24633428 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.135 CC[C@@H](O)\C(C)=C\c1ccccc1 Amb27852767 [0,2,0,0,0,0|1,0,1]=4 5312 B13R1.135 CC[C@@H](O)\C(Cl)=C\c1ccccc1 Amb27456661 [0,2,0,0,0,0|1,0,1]=4 5313 B13R1.135 CC[C@H](O)\C(C)=C\c1ccccc1 Amb28281705 [0,2,0,0,0,0|1,0,1]=4 5314 B13R1.135 CN(Cc1ccccc1)C(=O)CO Amb5798080 [0,2,0,0,0,0|1,0,1]=4 5315 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 Amb17400596 [0,2,0,0,0,0|1,0,1]=4 5316 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 Amb1798389 [0,2,0,0,0,0|2,0,0]=4 5317 B13R1.135 CNC(=O)\C(C)=C\c1ccccc1 Amb3447584 [0,2,0,0,0,0|1,0,0]=3 5318 B13R1.135 COC(=O)C(=O)Cc1ccccc1 Amb17138843 [0,2,0,0,0,0|0,0,1]=3 5319 B13R1.135 COC(=O)C(=O)Cc1ccccn1 Amb17138896 [0,2,0,0,0,0|1,0,1]=4 5320 B13R1.135 COC(=O)C(=O)Cc1cccnc1 Amb17138897 [0,2,0,0,0,0|1,0,1]=4 5321 B13R1.135 COC(=O)C(=O)Cc1ccncc1 Amb17138898 [0,2,0,0,0,0|1,0,1]=4 5322 B13R1.135 COC(=O)C(=O)Nc1ccccn1 Amb2604638 [0,2,0,0,0,0|2,0,0]=4 5323 B13R1.135 COC(=O)C(=O)Nc1ccncc1 Amb27625625 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.135 COC(=O)C(Br)Cc1ccccc1 Amb9758191 [0,2,0,0,0,0|0,0,2]=4 5325 B13R1.135 COC(=O)C(C)Cc1ccccc1 Amb32412695 [0,2,0,0,0,0|0,0,2]=4 5326 B13R1.135 COC(=O)C(C)Nc1ccccc1 Amb4137936 [0,2,0,0,0,0|1,0,1]=4 5327 B13R1.135 COC(=O)C(C)Oc1ccccc1 Amb2780660 [0,2,0,0,0,0|1,0,1]=4 5328 B13R1.135 COC(=O)C(Cl)Cc1ccccc1 Amb17204377 [0,2,0,0,0,0|0,0,2]=4 5329 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb1779248 [0,2,0,0,0,0|0,0,2]=4 5330 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb22489492 [0,2,0,0,0,0|0,0,2]=4 5331 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb6335185 [0,2,0,0,0,0|0,0,2]=4 5332 B13R1.135 COC(=O)C(O)Cc1ccccc1 Amb17138951 [0,2,0,0,0,0|0,0,2]=4 5333 B13R1.135 COC(=O)[C@@H](N)Cc1ccccc1 Amb533665 [0,2,0,0,0,0|0,0,2]=4 5334 B13R1.135 COC(=O)[C@@H](N)Cc1ccccc1 Amb6364970 [0,2,0,0,0,0|0,0,2]=4 5335 B13R1.135 COC(=O)[C@@H](O)Cc1ccccc1 Amb5722454 [0,2,0,0,0,0|0,0,2]=4 5336 B13R1.135 COC(=O)[C@H](N)Cc1ccccc1 Amb3939007 [0,2,0,0,0,0|0,0,2]=4 5337 B13R1.135 COC(=O)[C@H](N)Cc1ccccc1 Amb8396272 [0,2,0,0,0,0|0,0,2]=4 5338 B13R1.135 COC(=O)[C@H](O)Cc1ccccc1 Amb8390894 [0,2,0,0,0,0|0,0,2]=4 5339 B13R1.135 COC(=O)\C(Br)=C\c1ccccc1 Amb24331619 [0,2,0,0,0,0|0,0,0]=2 5340 B13R1.135 COC(=O)\C(C)=C\c1cncnc1 Amb27652628 [0,2,0,0,0,0|2,0,0]=4 5341 B13R1.135 C\C(=C/c1ccccc1)C(=O)CCl Amb27657602 [0,2,0,0,0,0|1,0,0]=3 5342 B13R1.135 C\C(=C/c1ccccc1)C(=O)CN Amb33476121 [0,2,0,0,0,0|1,0,0]=3 5343 B13R1.135 C\C(=C/c1ccccc1)C(C)C=O Amb33082084 [0,2,0,0,0,0|1,0,1]=4 5344 B13R1.135 C\C(=C/c1ccccc1)C(C)ON Amb33476456 [0,2,0,0,0,0|1,0,1]=4 5345 B13R1.135 C\C(=C/c1ccccc1)C(N)CO Amb32954174 [0,2,0,0,0,0|1,0,1]=4 5346 B13R1.135 C\C(=C/c1ccccc1)C(O)CBr Amb33476761 [0,2,0,0,0,0|1,0,1]=4 5347 B13R1.135 C\C(=C/c1ccccc1)C(O)CCl Amb32951526 [0,2,0,0,0,0|1,0,1]=4 5348 B13R1.135 C\C(=C/c1ccccc1)C(O)CF Amb32951246 [0,2,0,0,0,0|1,0,1]=4 5349 B13R1.135 C\C(=C/c1ccccc1)C(O)CN Amb32953329 [0,2,0,0,0,0|1,0,1]=4 5350 B13R1.135 C\C(=C/c1ccccc1)C(O)CO Amb32954856 [0,2,0,0,0,0|0,0,2]=4 5351 B13R1.135 C\C(=C/c1ccccc1)[C@@H](N)CO Amb33476713 [0,2,0,0,0,0|1,0,1]=4 5352 B13R1.135 C\C(=C/c1ccccc1)[C@@H](O)CCl Amb27632478 [0,2,0,0,0,0|1,0,1]=4 5353 B13R1.135 C\C(=C/c1ccccc1)[C@@H](O)CN Amb33476466 [0,2,0,0,0,0|1,0,1]=4 5354 B13R1.135 C\C(=C/c1ccccc1)[C@H](N)CO Amb33082402 [0,2,0,0,0,0|1,0,1]=4 5355 B13R1.135 C\C(=C/c1ccccc1)[C@H](O)CCl Amb27477869 [0,2,0,0,0,0|1,0,1]=4 5356 B13R1.135 C\C(=C/c1ccccc1)[C@H](O)CN Amb33476707 [0,2,0,0,0,0|1,0,1]=4 5357 B13R1.135 C\C(=C\O)C(=O)Oc1ccccc1 Amb28190324 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.135 C\C(=C\c1ccccc1)C(N)CO Amb27599997 [0,2,0,0,0,0|1,0,1]=4 5359 B13R1.135 C\C(=C\c1ccccc1)C(O)CCl Amb27632488 [0,2,0,0,0,0|1,0,1]=4 5360 B13R1.135 C\C(=C\c1ccccc1)[C@@H](O)CO Amb27835989 [0,2,0,0,0,0|0,0,2]=4 5361 B13R1.135 C\C(CO)=C(\C)Cc1ccccc1 Amb27651727 [0,2,0,0,0,0|1,0,1]=4 5362 B13R1.135 C\C(Sc1ccccc1)=C(\F)C=O Amb26362004 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.135 NC(Cc1ccccc1)C(=O)NO Amb22349822 [0,2,0,0,0,0|0,0,2]=4 5364 B13R1.135 NNC(=O)C(=O)Nc1ccccc1 Amb2420650 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.135 NNC(=O)\C(F)=C\c1ccccc1 Amb27833930 [0,2,0,0,0,0|1,0,0]=3 5366 B13R1.135 N[C@H](Cc1ccccc1)C(=O)NO Amb27587806 [0,2,0,0,0,0|0,0,2]=4 5367 B13R1.135 O=C(CO)N(O)Cc1ccccc1 Amb27835032 [0,2,0,0,0,0|1,0,1]=4 5368 B13R1.135 O=C(NO)C(=O)Nc1ccccc1 Amb27439064 [0,2,0,0,0,0|1,0,0]=3 5369 B13R1.135 O=C(NO)C(F)Cc1ccccc1 Amb28182984 [0,2,0,0,0,0|0,0,2]=4 5370 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=C/O Amb27755040 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N/O Amb27473306 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N\O Amb5720077 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.135 OCC(O)\C(O)=C\c1ccccc1 Amb22489644 [0,2,0,0,0,0|0,0,2]=4 5374 B13R1.254 CC(C)(C=O)\C=C\c1ccccc1 Amb32952080 [0,2,0,0,0,0|1,0,1]=4 5375 B13R1.254 CC(C)(\C=C\c1ccccc1)CO Amb32954712 [0,2,0,0,0,0|1,0,1]=4 5376 B13R1.254 CC(C)(\C=C\c1ccccc1)ON Amb33080789 [0,2,0,0,0,0|1,0,1]=4 5377 B13R1.254 CC(N)(\C=C\c1ccccc1)CO Amb33080805 [0,2,0,0,0,0|1,0,1]=4 5378 B13R1.254 CC(O)(\C=C\c1ccccc1)CN Amb33081749 [0,2,0,0,0,0|1,0,1]=4 5379 B13R1.254 CNS(=O)(=O)\C=C\c1ccccc1 Amb404597 [0,2,0,0,0,0|1,0,1]=4 5380 B13R1.254 NNS(=O)(=O)\C=C\c1ccccc1 Amb9336864 [0,2,0,0,0,0|1,0,1]=4 5381 B13R1.254 OCC(F)(F)\C=C\c1ccccc1 Amb33080759 [0,2,0,0,0,0|1,0,1]=4 5382 B13R1.417 CC\C(C=O)=C/Nc1ccccc1 Amb18127492 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.417 CN\C(=C\Cc1ccccc1)OC Amb27947297 [0,2,0,0,0,0|1,0,1]=4 5384 B13R1.417 COC(=CCc1ccccc1)OC Amb22546894 [0,2,0,0,0,0|0,0,2]=4 5385 B13R1.417 COC(\C=C\c1ccccc1)=C\Cl Amb27601252 [0,2,0,0,0,0|1,0,0]=3 5386 B13R1.417 NCC(\C=C\c1ccccc1)CO Amb33080757 [0,2,0,0,0,0|1,0,1]=4 5387 B13R1.417 O=CC(C=O)=CNc1ccccc1 Amb27393211 [0,2,0,0,0,0|1,0,1]=4 5388 B13R1.417 O=CC(\C=N\c1ccncc1)=C\O Amb27881811 [0,2,0,0,0,0|2,0,0]=4 5389 B13R1.417 OCC(=C=Cc1ccccc1)CO Amb27753005 [0,2,0,0,0,0|0,0,2]=4 5390 B13R1.528 C=CC(=O)\C=C\c1ccccc1Br Amb33503232 [0,2,0,0,0,0|1,0,0]=3 5391 B13R1.528 C=CC(=O)\C=C\c1ccccc1C Amb33503233 [0,2,0,0,0,0|1,0,0]=3 5392 B13R1.528 C=CC(=O)\C=C\c1ccccc1Cl Amb33503120 [0,2,0,0,0,0|1,0,0]=3 5393 B13R1.528 C=CC(=O)\C=C\c1ccccc1F Amb33503119 [0,2,0,0,0,0|1,0,0]=3 5394 B13R1.528 CNC(=O)\C=C\c1ccccc1Cl Amb3701970 [0,2,0,0,0,0|1,0,0]=3 5395 B13R1.528 CNC(=O)\C=C\c1ccccc1F Amb28249907 [0,2,0,0,0,0|1,0,0]=3 5396 B13R1.528 COC(=O)C#Cc1ccccc1C Amb26396263 [0,2,0,0,0,0|0,0,2]=4 5397 B13R1.528 COC(=O)C#Cc1ccccc1Cl Amb2610345 [0,2,0,0,0,0|0,0,2]=4 5398 B13R1.528 COC(=O)C#Cc1ccccc1F Amb28120540 [0,2,0,0,0,0|0,0,2]=4 5399 B13R1.528 COC(=O)C#Cc1ccccc1N Amb27179206 [0,2,0,0,0,0|0,0,2]=4 5400 B13R1.528 COC(=O)C#Cc1ccccc1O Amb27859426 [0,2,0,0,0,0|0,0,2]=4 5401 B13R1.528 COC(=O)CCc1ccccc1Br Amb10604254 [0,2,0,0,0,0|0,0,2]=4 5402 B13R1.528 COC(=O)CCc1ccccc1C Amb17400660 [0,2,0,0,0,0|0,0,2]=4 5403 B13R1.528 COC(=O)CCc1ccccc1Cl Amb17402275 [0,2,0,0,0,0|0,0,2]=4 5404 B13R1.528 COC(=O)CCc1ccccc1F Amb17400908 [0,2,0,0,0,0|0,0,2]=4 5405 B13R1.528 COC(=O)CCc1ccccc1N Amb33803798 [0,2,0,0,0,0|0,0,2]=4 5406 B13R1.528 COC(=O)CCc1ccccc1O Amb2722678 [0,2,0,0,0,0|0,0,2]=4 5407 B13R1.528 COC(=O)CNc1ccccc1C Amb33527060 [0,2,0,0,0,0|1,0,1]=4 5408 B13R1.528 COC(=O)CNc1ccccc1Cl Amb6712398 [0,2,0,0,0,0|1,0,1]=4 5409 B13R1.528 COC(=O)CNc1ccccc1F Amb6712588 [0,2,0,0,0,0|1,0,1]=4 5410 B13R1.528 COC(=O)CNc1ccccc1N Amb7767918 [0,2,0,0,0,0|1,0,1]=4 5411 B13R1.528 COC(=O)COc1ccccc1Br Amb844184 [0,2,0,0,0,0|1,0,1]=4 5412 B13R1.528 COC(=O)COc1ccccc1C Amb844175 [0,2,0,0,0,0|1,0,1]=4 5413 B13R1.528 COC(=O)COc1ccccc1Cl Amb844182 [0,2,0,0,0,0|1,0,1]=4 5414 B13R1.528 COC(=O)COc1ccccc1F Amb7753081 [0,2,0,0,0,0|1,0,1]=4 5415 B13R1.528 COC(=O)CSc1ccccc1O Amb19044958 [0,2,0,0,0,0|1,0,1]=4 5416 B13R1.528 COC(=O)NCc1ccccc1C Amb27854441 [0,2,0,0,0,0|1,0,1]=4 5417 B13R1.528 COC(=O)NCc1ccccc1Cl Amb22469956 [0,2,0,0,0,0|1,0,1]=4 5418 B13R1.528 COC(=O)NCc1ccccc1O Amb8390014 [0,2,0,0,0,0|1,0,1]=4 5419 B13R1.528 COC(=O)\C=C\c1ccccc1Br Amb34002036 [0,2,0,0,0,0|0,0,0]=2 5420 B13R1.528 COC(=O)\C=C\c1ccccc1C Amb26325862 [0,2,0,0,0,0|0,0,0]=2 5421 B13R1.528 COC(=O)\C=C\c1ccccc1Cl Amb10808396 [0,2,0,0,0,0|0,0,0]=2 5422 B13R1.528 COC(=O)\C=C\c1ccccc1F Amb2432760 [0,2,0,0,0,0|0,0,0]=2 5423 B13R1.528 COC(=O)\C=C\c1ccccc1N Amb18127873 [0,2,0,0,0,0|0,0,0]=2 5424 B13R1.528 COC(=O)\C=C\c1cccnc1Br Amb22584147 [0,2,0,0,0,0|1,0,0]=3 5425 B13R1.528 COC(=O)\C=C\c1cccnc1N Amb4560893 [0,2,0,0,0,0|1,0,0]=3 5426 B13R1.528 COC(=O)\C=C\c1ccncc1F Amb24623916 [0,2,0,0,0,0|1,0,0]=3 5427 B13R1.528 COC(=O)\C=C\c1cnccc1Cl Amb13890041 [0,2,0,0,0,0|1,0,0]=3 5428 B13R1.528 COC(=O)\C=C\c1cnccc1N Amb4560910 [0,2,0,0,0,0|1,0,0]=3 5429 B13R1.528 COC(=O)\C=C\c1ncccc1C Amb28185662 [0,2,0,0,0,0|1,0,0]=3 5430 B13R1.528 COC(=O)\C=C\c1ncccc1F Amb33469154 [0,2,0,0,0,0|1,0,0]=3 5431 B13R1.528 COC(=O)\C=C\c1nccnc1C Amb35600947 [0,2,0,0,0,0|2,0,0]=4 5432 B13R1.528 COC(O)\C=C\c1ccccc1S Amb27206105 [0,2,0,0,0,0|0,0,2]=4 5433 B13R1.528 C\C(=C/Cc1ccccc1O)CO Amb17594552 [0,2,0,0,0,0|1,0,1]=4 5434 B13R1.528 C\C(C=O)=C\Nc1ccccc1N Amb27751221 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.528 Cc1ccccc1CCC(=O)CO Amb18065752 [0,2,0,0,0,0|0,0,2]=4 5436 B13R1.528 Cc1ccccc1CNC(=O)CO Amb17400714 [0,2,0,0,0,0|1,0,1]=4 5437 B13R1.528 Cc1ccccc1N\C=C(/O)C=O Amb28129816 [0,2,0,0,0,0|1,0,0]=3 5438 B13R1.528 Cc1ccccc1OCC(=O)CO Amb18065910 [0,2,0,0,0,0|1,0,1]=4 5439 B13R1.528 Cc1ccccc1\C=C\C(=N)NO Amb24656007 [0,2,0,0,0,0|1,0,0]=3 5440 B13R1.528 N=C(\C=C\c1ccccc1F)NO Amb27204805 [0,2,0,0,0,0|1,0,0]=3 5441 B13R1.528 NC(\C=C\c1ccccc1Cl)=N\O Amb28385568 [0,2,0,0,0,0|1,0,0]=3 5442 B13R1.528 NNC(=O)\C=C\c1ccccc1Br Amb8998118 [0,2,0,0,0,0|1,0,0]=3 5443 B13R1.528 Nc1ccccc1CCC(=O)NO Amb28364592 [0,2,0,0,0,0|0,0,2]=4 5444 B13R1.528 O=C(CCc1ccccc1Cl)NO Amb27826130 [0,2,0,0,0,0|0,0,2]=4 5445 B13R1.528 O=C(CCc1ccccc1O)NO Amb28182959 [0,2,0,0,0,0|0,0,2]=4 5446 B13R1.528 O=C(CNc1ccccc1Cl)NO Amb27437079 [0,2,0,0,0,0|1,0,1]=4 5447 B13R1.528 O=C(CO)CCc1ccccc1Br Amb18576942 [0,2,0,0,0,0|0,0,2]=4 5448 B13R1.528 O=C(CO)CCc1ccccc1Cl Amb18066485 [0,2,0,0,0,0|0,0,2]=4 5449 B13R1.528 O=C(CO)CCc1ccccc1F Amb18564200 [0,2,0,0,0,0|0,0,2]=4 5450 B13R1.528 O=C(CO)COc1ccccc1Br Amb18072010 [0,2,0,0,0,0|1,0,1]=4 5451 B13R1.528 O=C(CO)COc1ccccc1Cl Amb18566284 [0,2,0,0,0,0|1,0,1]=4 5452 B13R1.528 O=C(CO)COc1ccccc1F Amb18564273 [0,2,0,0,0,0|1,0,1]=4 5453 B13R1.528 O=C(CO)NCc1ccccc1Cl Amb9421616 [0,2,0,0,0,0|1,0,1]=4 5454 B13R1.528 O=C(CO)NCc1ccccc1F Amb9421627 [0,2,0,0,0,0|1,0,1]=4 5455 B13R1.528 O=C(COc1ccccc1Cl)NO Amb22465743 [0,2,0,0,0,0|1,0,1]=4 5456 B13R1.528 O=C(COc1ccccc1F)NO Amb28189114 [0,2,0,0,0,0|1,0,1]=4 5457 B13R1.528 O=C(COc1ccccc1O)NO Amb1332070 [0,2,0,0,0,0|1,0,1]=4 5458 B13R1.528 O=C(CSc1ccccc1O)NO Amb28183019 [0,2,0,0,0,0|1,0,1]=4 5459 B13R1.528 O=C(\C=C\c1ccccc1Cl)NO Amb28369653 [0,2,0,0,0,0|0,0,0]=2 5460 B13R1.528 O=C\C(O)=C/Nc1ccccc1O Amb27185973 [0,2,0,0,0,0|1,0,0]=3 5461 B13R1.528 O\C=C(O)/C=N/c1ccccc1Cl Amb27207733 [0,2,0,0,0,0|1,0,1]=4 5462 B13R1.528 O\C=C(O)/C=N/c1ccccc1O Amb27626923 [0,2,0,0,0,0|1,0,1]=4 5463 B13R1.148 C=C(Cc1cccc(O)c1)C(=O)O Amb28291558 [0,2,0,0,0,0|0,0,1]=3 5464 B13R1.148 CC(=O)C(=O)Cc1cccc(Br)c1 Amb23603630 [0,2,0,0,0,0|1,0,1]=4 5465 B13R1.148 CC(=O)C(=O)Cc1cccc(C)c1 Amb23603621 [0,2,0,0,0,0|1,0,1]=4 5466 B13R1.148 CC(=O)C(=O)Cc1cccc(Cl)c1 Amb23603628 [0,2,0,0,0,0|1,0,1]=4 5467 B13R1.148 CC(=O)C(=O)Cc1cccc(F)c1 Amb23603623 [0,2,0,0,0,0|1,0,1]=4 5468 B13R1.148 CC(=O)C(=O)Nc1cccc(Br)c1 Amb17410540 [0,2,0,0,0,0|2,0,0]=4 5469 B13R1.148 CC(=O)C(=O)Nc1cccc(C)c1 Amb17400599 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.148 CC(=O)C(=O)Nc1cccc(Cl)c1 Amb17402223 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.148 CC(=O)C(=O)Nc1cccc(F)c1 Amb17400857 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.148 CC(=O)\C(C)=C\c1cccc(Br)c1 Amb28240585 [0,2,0,0,0,0|1,0,0]=3 5473 B13R1.148 CC(=O)\C(C)=C\c1cccc(Cl)c1 Amb27454684 [0,2,0,0,0,0|1,0,0]=3 5474 B13R1.148 CC(=O)\C(C)=C\c1cccc(F)c1 Amb26542885 [0,2,0,0,0,0|1,0,0]=3 5475 B13R1.148 CC(=O)\C(C)=C\c1cccc(I)c1 Amb28045755 [0,2,0,0,0,0|1,0,0]=3 5476 B13R1.148 CC(=O)\C(C)=N\c1cccc(C)c1 Amb27440422 [0,2,0,0,0,0|2,0,0]=4 5477 B13R1.148 CC(Cc1cccc(Br)c1)C(=O)O Amb25923971 [0,2,0,0,0,0|0,0,2]=4 5478 B13R1.148 CC(Cc1cccc(Cl)c1)C(=O)O Amb2785265 [0,2,0,0,0,0|0,0,2]=4 5479 B13R1.148 CC(Cc1cccc(F)c1)C(=O)O Amb13951302 [0,2,0,0,0,0|0,0,2]=4 5480 B13R1.148 CC(Cc1cccc(N)c1)C(=O)O Amb24693893 [0,2,0,0,0,0|0,0,2]=4 5481 B13R1.148 CC(Cc1cccc(O)c1)C(=O)O Amb10844220 [0,2,0,0,0,0|0,0,2]=4 5482 B13R1.148 CC(Nc1cccc(Br)c1)C(=O)O Amb840564 [0,2,0,0,0,0|1,0,1]=4 5483 B13R1.148 CC(Nc1cccc(Cl)c1)C(=O)O Amb840561 [0,2,0,0,0,0|1,0,1]=4 5484 B13R1.148 CC(Nc1cccc(F)c1)C(=O)O Amb840558 [0,2,0,0,0,0|1,0,1]=4 5485 B13R1.148 CC(Nc1cccc(N)c1)C(=O)O Amb27608588 [0,2,0,0,0,0|1,0,1]=4 5486 B13R1.148 CC(Oc1cccc(Br)c1)C(=O)O Amb2556137 [0,2,0,0,0,0|1,0,1]=4 5487 B13R1.148 CC(Oc1cccc(Cl)c1)C(=O)O Amb9745694 [0,2,0,0,0,0|1,0,1]=4 5488 B13R1.148 CC(Oc1cccc(F)c1)C(=O)O Amb1116562 [0,2,0,0,0,0|1,0,1]=4 5489 B13R1.148 CC(Oc1cccc(I)c1)C(=O)O Amb8838601 [0,2,0,0,0,0|1,0,1]=4 5490 B13R1.148 CC(Oc1cccc(N)c1)C(=O)O Amb28465284 [0,2,0,0,0,0|1,0,1]=4 5491 B13R1.148 CC(Oc1cccc(N)c1)C(=O)O Amb839768 [0,2,0,0,0,0|1,0,1]=4 5492 B13R1.148 CC(Oc1cccc(O)c1)C(=O)O Amb18192781 [0,2,0,0,0,0|1,0,1]=4 5493 B13R1.148 CC(Sc1cccc(Cl)c1)C(=O)O Amb5774993 [0,2,0,0,0,0|1,0,1]=4 5494 B13R1.148 C[C@@H](Oc1cccc(I)c1)C(=O)O Amb27601305 [0,2,0,0,0,0|1,0,1]=4 5495 B13R1.148 C[C@H](Cc1cccc(Cl)c1)C(=O)O Amb10844155 [0,2,0,0,0,0|0,0,2]=4 5496 B13R1.148 C[C@H](Cc1cccc(N)c1)C(=O)O Amb27179116 [0,2,0,0,0,0|0,0,2]=4 5497 B13R1.148 C[C@H](Cc1cccc(O)c1)C(=O)O Amb27179117 [0,2,0,0,0,0|0,0,2]=4 5498 B13R1.148 C[C@H](Nc1cccc(F)c1)C(=O)O Amb24495647 [0,2,0,0,0,0|1,0,1]=4 5499 B13R1.148 C[C@H](Oc1cccc(Br)c1)C(=O)O Amb27410285 [0,2,0,0,0,0|1,0,1]=4 5500 B13R1.148 C[C@H](Oc1cccc(F)c1)C(=O)O Amb27760496 [0,2,0,0,0,0|1,0,1]=4 5501 B13R1.148 C\C(=C/c1cc(C)ccn1)C(=O)O Amb28137941 [0,2,0,0,0,0|1,0,0]=3 5502 B13R1.148 C\C(=C/c1cccc(Br)c1)C(=O)O Amb22339395 [0,2,0,0,0,0|0,0,0]=2 5503 B13R1.148 C\C(=C/c1cccc(Br)c1)C(C)O Amb27840919 [0,2,0,0,0,0|1,0,1]=4 5504 B13R1.148 C\C(=C/c1cccc(Br)c1)[N+](=O)[O-] Amb4078947 [0,2,0,0,0,0|1,0,1]=4 5505 B13R1.148 C\C(=C/c1cccc(C)c1)C(=O)O Amb4009520 [0,2,0,0,0,0|0,0,0]=2 5506 B13R1.148 C\C(=C/c1cccc(Cl)c1)C(=O)O Amb4007781 [0,2,0,0,0,0|0,0,0]=2 5507 B13R1.148 C\C(=C/c1cccc(Cl)c1)C(C)O Amb28204414 [0,2,0,0,0,0|1,0,1]=4 5508 B13R1.148 C\C(=C/c1cccc(Cl)c1)[N+](=O)[O-] Amb18041945 [0,2,0,0,0,0|1,0,1]=4 5509 B13R1.148 C\C(=C/c1cccc(F)c1)C(=O)O Amb24745620 [0,2,0,0,0,0|0,0,0]=2 5510 B13R1.148 C\C(=C/c1cccc(I)c1)C(=O)O Amb27393743 [0,2,0,0,0,0|0,0,0]=2 5511 B13R1.148 C\C(=C\c1cccc(C)c1)[N+](=O)[O-] Amb22904187 [0,2,0,0,0,0|1,0,1]=4 5512 B13R1.148 C\C(=C\c1cccc(Cl)c1)[N+](=O)[O-] Amb28123395 [0,2,0,0,0,0|1,0,1]=4 5513 B13R1.148 C\C(=C\c1cccc(F)c1)[N+](=O)[O-] Amb25979468 [0,2,0,0,0,0|1,0,1]=4 5514 B13R1.148 C\C(=C\c1cccc(I)c1)[N+](=O)[O-] Amb27223449 [0,2,0,0,0,0|1,0,1]=4 5515 B13R1.148 C\C(=C\c1cccc(O)c1)[N+](=O)[O-] Amb24370379 [0,2,0,0,0,0|1,0,1]=4 5516 B13R1.148 C\C(=C\c1ccnc(Br)c1)C(=O)O Amb27951843 [0,2,0,0,0,0|1,0,0]=3 5517 B13R1.148 Cc1cc(CC(=O)C(=O)O)ccn1 Amb33268223 [0,2,0,0,0,0|1,0,1]=4 5518 B13R1.148 Cc1cccc(CC(=O)C(=O)O)c1 Amb1131949 [0,2,0,0,0,0|0,0,1]=3 5519 B13R1.148 Cc1cccc(CC(=O)C(=O)O)n1 Amb33201939 [0,2,0,0,0,0|1,0,1]=4 5520 B13R1.148 Cc1cccc(CC(Br)C(=O)O)c1 Amb23320585 [0,2,0,0,0,0|0,0,2]=4 5521 B13R1.148 Cc1cccc(CC(C)C(=O)O)c1 Amb5744012 [0,2,0,0,0,0|0,0,2]=4 5522 B13R1.148 Cc1cccc(CC(Cl)C(=O)O)c1 Amb17204375 [0,2,0,0,0,0|0,0,2]=4 5523 B13R1.148 Cc1cccc(CC(F)C(=O)O)c1 Amb27832954 [0,2,0,0,0,0|0,0,2]=4 5524 B13R1.148 Cc1cccc(CC(N)C(=O)O)c1 Amb33551326 [0,2,0,0,0,0|0,0,2]=4 5525 B13R1.148 Cc1cccc(CC(N)C(=O)O)c1 Amb3788275 [0,2,0,0,0,0|0,0,2]=4 5526 B13R1.148 Cc1cccc(CC(O)C(=O)O)c1 Amb17138949 [0,2,0,0,0,0|0,0,2]=4 5527 B13R1.148 Cc1cccc(C[C@@H](C)C(=O)O)c1 Amb10844168 [0,2,0,0,0,0|0,0,2]=4 5528 B13R1.148 Cc1cccc(C[C@@H](N)C(=O)O)c1 Amb8397009 [0,2,0,0,0,0|0,0,2]=4 5529 B13R1.148 Cc1cccc(C[C@H](C)C(=O)O)c1 Amb10844169 [0,2,0,0,0,0|0,0,2]=4 5530 B13R1.148 Cc1cccc(C[C@H](N)C(=O)O)c1 Amb8397006 [0,2,0,0,0,0|0,0,2]=4 5531 B13R1.148 Cc1cccc(NC(=O)C(=O)O)c1 Amb838988 [0,2,0,0,0,0|1,0,0]=3 5532 B13R1.148 Cc1cccc(NC(=O)C(=O)O)n1 Amb3596797 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.148 Cc1cccc(NC(=O)C(N)=O)c1 Amb3439140 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.148 Cc1cccc(NC(=S)C(=O)O)c1 Amb27985884 [0,2,0,0,0,0|1,0,0]=3 5535 B13R1.148 Cc1cccc(NC(=S)C(N)=O)c1 Amb6875688 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.148 Cc1cccc(NC(C)C(=O)O)c1 Amb840548 [0,2,0,0,0,0|1,0,1]=4 5537 B13R1.148 Cc1cccc(N[C@@H](C)C(=O)O)c1 Amb16231733 [0,2,0,0,0,0|1,0,1]=4 5538 B13R1.148 Cc1cccc(OC(C)C(=O)O)c1 Amb9702048 [0,2,0,0,0,0|1,0,1]=4 5539 B13R1.148 Cc1cccc(O[C@@H](C)C(=O)O)c1 Amb24310391 [0,2,0,0,0,0|1,0,1]=4 5540 B13R1.148 Cc1cccc(SC(C)C(=O)O)c1 Amb5769096 [0,2,0,0,0,0|1,0,1]=4 5541 B13R1.148 Cc1cccc(SC(F)C(=O)O)c1 Amb27883690 [0,2,0,0,0,0|1,0,1]=4 5542 B13R1.148 Cc1cccc(\C=C(/F)C(=O)O)c1 Amb32677835 [0,2,0,0,0,0|0,0,0]=2 5543 B13R1.148 Cc1ccnc(CC(=O)C(=O)O)c1 Amb33318411 [0,2,0,0,0,0|1,0,1]=4 5544 B13R1.148 Cc1cncc(CC(=O)C(=O)O)c1 Amb33318377 [0,2,0,0,0,0|1,0,1]=4 5545 B13R1.148 NC(=O)C(=O)Nc1cccc(F)c1 Amb27765660 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.148 NC(=O)C(=O)Nc1cccc(N)c1 Amb25129171 [0,2,0,0,0,0|2,0,0]=4 5547 B13R1.148 NC(=O)C(=O)Nc1cccc(O)c1 Amb13781379 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.148 NC(=O)C(=S)Nc1cccc(F)c1 Amb27641474 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O Amb33551434 [0,2,0,0,0,0|0,0,2]=4 5550 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O Amb3790941 [0,2,0,0,0,0|0,0,2]=4 5551 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O Amb20622650 [0,2,0,0,0,0|0,0,2]=4 5552 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O Amb3788687 [0,2,0,0,0,0|0,0,2]=4 5553 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O Amb2688313 [0,2,0,0,0,0|0,0,2]=4 5554 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O Amb28468151 [0,2,0,0,0,0|0,0,2]=4 5555 B13R1.148 NC(Cc1cccc(I)c1)C(=O)O Amb3796903 [0,2,0,0,0,0|0,0,2]=4 5556 B13R1.148 NC(Cc1cccc(O)c1)C(=O)O Amb9727593 [0,2,0,0,0,0|0,0,2]=4 5557 B13R1.148 NC(Cc1cccc(S)c1)C(=O)O Amb28119335 [0,2,0,0,0,0|0,0,2]=4 5558 B13R1.148 NC(Cc1cccc(S)c1)C(=O)O Amb33330728 [0,2,0,0,0,0|0,0,2]=4 5559 B13R1.148 N[C@@H](Cc1cccc(Br)c1)C(=O)O Amb32409701 [0,2,0,0,0,0|0,0,2]=4 5560 B13R1.148 N[C@@H](Cc1cccc(Br)c1)C(=O)O Amb8396992 [0,2,0,0,0,0|0,0,2]=4 5561 B13R1.148 N[C@@H](Cc1cccc(Cl)c1)C(=O)O Amb8390369 [0,2,0,0,0,0|0,0,2]=4 5562 B13R1.148 N[C@@H](Cc1cccc(Cl)c1)C(=O)O Amb8396996 [0,2,0,0,0,0|0,0,2]=4 5563 B13R1.148 N[C@@H](Cc1cccc(F)c1)C(=O)O Amb6295851 [0,2,0,0,0,0|0,0,2]=4 5564 B13R1.148 N[C@@H](Cc1cccc(I)c1)C(=O)O Amb22229331 [0,2,0,0,0,0|0,0,2]=4 5565 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(=O)O Amb6295781 [0,2,0,0,0,0|0,0,2]=4 5566 B13R1.148 N[C@@H](Cc1cccc(S)c1)C(=O)O Amb27404833 [0,2,0,0,0,0|0,0,2]=4 5567 B13R1.148 N[C@H](Cc1cccc(Br)c1)C(=O)O Amb8396991 [0,2,0,0,0,0|0,0,2]=4 5568 B13R1.148 N[C@H](Cc1cccc(Cl)c1)C(=O)O Amb6295852 [0,2,0,0,0,0|0,0,2]=4 5569 B13R1.148 N[C@H](Cc1cccc(F)c1)C(=O)O Amb8389455 [0,2,0,0,0,0|0,0,2]=4 5570 B13R1.148 N[C@H](Cc1cccc(I)c1)C(=O)O Amb22229329 [0,2,0,0,0,0|0,0,2]=4 5571 B13R1.148 N[C@H](Cc1cccc(O)c1)C(=O)O Amb8396995 [0,2,0,0,0,0|0,0,2]=4 5572 B13R1.148 N\C(=C\c1cccc(Br)c1)C(=O)O Amb29883096 [0,2,0,0,0,0|0,0,0]=2 5573 B13R1.148 Nc1cccc(CC(N)C(=O)O)c1 Amb21864824 [0,2,0,0,0,0|0,0,2]=4 5574 B13R1.148 Nc1cccc(CC(O)C(=O)O)c1 Amb27415733 [0,2,0,0,0,0|0,0,2]=4 5575 B13R1.148 Nc1cccc(C[C@H](N)C(=O)O)c1 Amb33801893 [0,2,0,0,0,0|0,0,2]=4 5576 B13R1.148 Nc1cccc(C[C@H](N)C(=O)O)c1 Amb33872488 [0,2,0,0,0,0|0,0,2]=4 5577 B13R1.148 O=C(O)C(=O)C[n+]1cccc(O)c1 Amb27169388 [0,2,0,0,0,0|1,0,1]=4 5578 B13R1.148 O=C(O)C(=O)Cc1cc(F)ccn1 Amb33415003 [0,2,0,0,0,0|1,0,1]=4 5579 B13R1.148 O=C(O)C(=O)Cc1cccc(Br)c1 Amb1137720 [0,2,0,0,0,0|0,0,1]=3 5580 B13R1.148 O=C(O)C(=O)Cc1cccc(Br)n1 Amb33432757 [0,2,0,0,0,0|1,0,1]=4 5581 B13R1.148 O=C(O)C(=O)Cc1cccc(Cl)c1 Amb1135307 [0,2,0,0,0,0|0,0,1]=3 5582 B13R1.148 O=C(O)C(=O)Cc1cccc(Cl)n1 Amb33223299 [0,2,0,0,0,0|1,0,1]=4 5583 B13R1.148 O=C(O)C(=O)Cc1cccc(F)c1 Amb1126816 [0,2,0,0,0,0|0,0,1]=3 5584 B13R1.148 O=C(O)C(=O)Cc1cccc(I)c1 Amb27768916 [0,2,0,0,0,0|0,0,1]=3 5585 B13R1.148 O=C(O)C(=O)Cc1cccc(O)c1 Amb1141341 [0,2,0,0,0,0|0,0,1]=3 5586 B13R1.148 O=C(O)C(=O)Cc1cncc(Br)c1 Amb25979407 [0,2,0,0,0,0|1,0,1]=4 5587 B13R1.148 O=C(O)C(=O)Cc1cncc(F)c1 Amb33196974 [0,2,0,0,0,0|1,0,1]=4 5588 B13R1.148 O=C(O)C(=O)Nc1cccc(Br)c1 Amb838964 [0,2,0,0,0,0|1,0,0]=3 5589 B13R1.148 O=C(O)C(=O)Nc1cccc(Cl)c1 Amb838963 [0,2,0,0,0,0|1,0,0]=3 5590 B13R1.148 O=C(O)C(=O)Nc1cccc(F)c1 Amb9303976 [0,2,0,0,0,0|1,0,0]=3 5591 B13R1.148 O=C(O)C(=O)Nc1cncc(Cl)c1 Amb29864905 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.148 O=C(O)C(=S)Cc1cccc(Cl)c1 Amb27798340 [0,2,0,0,0,0|0,0,1]=3 5593 B13R1.148 O=C(O)C(Br)Cc1cccc(Cl)c1 Amb23320616 [0,2,0,0,0,0|0,0,2]=4 5594 B13R1.148 O=C(O)C(Br)Cc1cccc(F)c1 Amb25871653 [0,2,0,0,0,0|0,0,2]=4 5595 B13R1.148 O=C(O)C(Cl)Cc1cccc(Br)c1 Amb17204844 [0,2,0,0,0,0|0,0,2]=4 5596 B13R1.148 O=C(O)C(Cl)Cc1cccc(Cl)c1 Amb17204491 [0,2,0,0,0,0|0,0,2]=4 5597 B13R1.148 O=C(O)C(Cl)Cc1cccc(F)c1 Amb17204399 [0,2,0,0,0,0|0,0,2]=4 5598 B13R1.148 O=C(O)C(Cl)Cc1cccc(O)c1 Amb27946723 [0,2,0,0,0,0|0,0,2]=4 5599 B13R1.148 O=C(O)C(F)Cc1cccc(I)c1 Amb27221429 [0,2,0,0,0,0|0,0,2]=4 5600 B13R1.148 O=C(O)C(F)Oc1cccc(F)c1 Amb27759576 [0,2,0,0,0,0|1,0,1]=4 5601 B13R1.148 O=C(O)C(O)Cc1cccc(Br)c1 Amb17159702 [0,2,0,0,0,0|0,0,2]=4 5602 B13R1.148 O=C(O)C(O)Cc1cccc(Cl)c1 Amb33549427 [0,2,0,0,0,0|0,0,2]=4 5603 B13R1.148 O=C(O)C(O)Cc1cccc(F)c1 Amb26651975 [0,2,0,0,0,0|0,0,2]=4 5604 B13R1.148 O=C(O)C(O)Cc1cccc(I)c1 Amb33353476 [0,2,0,0,0,0|0,0,2]=4 5605 B13R1.148 O=C(O)C(O)Cc1cccc(O)c1 Amb32669558 [0,2,0,0,0,0|0,0,2]=4 5606 B13R1.148 O=C(O)[C@@H](O)Cc1cccc(F)c1 Amb24725523 [0,2,0,0,0,0|0,0,2]=4 5607 B13R1.148 O=C(O)[C@H](O)Cc1cccc(Br)c1 Amb26964962 [0,2,0,0,0,0|0,0,2]=4 5608 B13R1.148 O=C(O)\C(Br)=C\c1cccc(Cl)c1 Amb2794050 [0,2,0,0,0,0|0,0,0]=2 5609 B13R1.148 O=C(O)\C(Cl)=C/c1cccc(Cl)c1 Amb27427070 [0,2,0,0,0,0|0,0,0]=2 5610 B13R1.148 O=C(O)\C(F)=C\c1cccc(Br)c1 Amb24520960 [0,2,0,0,0,0|0,0,0]=2 5611 B13R1.148 O=C(O)\C(F)=C\c1cccc(Cl)c1 Amb25085473 [0,2,0,0,0,0|0,0,0]=2 5612 B13R1.148 O=C(O)\C(F)=C\c1cccc(F)c1 Amb27162615 [0,2,0,0,0,0|0,0,0]=2 5613 B13R1.148 O=C(O)\C(F)=C\c1cccc(O)c1 Amb26474923 [0,2,0,0,0,0|0,0,0]=2 5614 B13R1.148 O=C(O)\C(S)=C\c1cccc(Cl)c1 Amb4036384 [0,2,0,0,0,0|0,0,0]=2 5615 B13R1.152 C=C(C(=C)c1ccccc1)C(=O)O Amb27760436 [0,2,0,0,0,0|0,0,0]=2 5616 B13R1.152 C=C(C(=O)O)C(C)c1ccccc1 Amb24634053 [0,2,0,0,0,0|0,0,1]=3 5617 B13R1.152 C=C(C(=O)O)C(O)c1ccccc1 Amb27477832 [0,2,0,0,0,0|0,0,1]=3 5618 B13R1.152 C=C(C(C)=O)C(=O)c1ccccc1 Amb17594383 [0,2,0,0,0,0|1,0,0]=3 5619 B13R1.152 C=C(C(C)=O)C(N)c1ccccc1 Amb27647520 [0,2,0,0,0,0|1,0,1]=4 5620 B13R1.152 C=C(C(C)=O)C(O)c1ccccc1 Amb6537578 [0,2,0,0,0,0|1,0,1]=4 5621 B13R1.152 C=C(C(C)=O)[C@@H](N)c1ccccc1 Amb28429564 [0,2,0,0,0,0|1,0,1]=4 5622 B13R1.152 C=C(C(N)=O)C(N)c1ccccc1 Amb27882833 [0,2,0,0,0,0|1,0,1]=4 5623 B13R1.152 C=C(C(N)=O)[C@@H](N)c1ccccc1 Amb28365000 [0,2,0,0,0,0|1,0,1]=4 5624 B13R1.152 C=C(C(N)=O)[C@H](O)c1ccccc1 Amb28397965 [0,2,0,0,0,0|1,0,1]=4 5625 B13R1.152 C=C(c1ccccc1)C(C)C(=O)O Amb18127713 [0,2,0,0,0,0|0,0,1]=3 5626 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 Amb2424343 [0,2,0,0,0,0|2,0,0]=4 5627 B13R1.152 CC(=O)C(Br)C(=O)c1ccccc1 Amb28317159 [0,2,0,0,0,0|1,0,1]=4 5628 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 Amb8394273 [0,2,0,0,0,0|1,0,1]=4 5629 B13R1.152 CC(=O)\C(C)=C(/O)c1ccccc1 Amb17594481 [0,2,0,0,0,0|1,0,0]=3 5630 B13R1.152 CC(=O)\C(C)=C(\N)c1ccccc1 Amb27966823 [0,2,0,0,0,0|1,0,0]=3 5631 B13R1.152 CC(C(=O)C(=O)O)c1ccccc1 Amb18648106 [0,2,0,0,0,0|0,0,1]=3 5632 B13R1.152 CC(C(=O)C(N)=O)c1ccccc1 Amb27984702 [0,2,0,0,0,0|1,0,1]=4 5633 B13R1.152 CC(C(=O)O)C(C)c1ccccc1 Amb6360544 [0,2,0,0,0,0|0,0,2]=4 5634 B13R1.152 CC(C(=O)O)C(N)c1ccccc1 Amb17470593 [0,2,0,0,0,0|0,0,2]=4 5635 B13R1.152 CC(C(=O)O)C(N)c1ccccc1 Amb19375481 [0,2,0,0,0,0|0,0,2]=4 5636 B13R1.152 CC(C(=O)O)C(O)c1ccccc1 Amb3430442 [0,2,0,0,0,0|0,0,2]=4 5637 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 Amb5762145 [0,2,0,0,0,0|1,0,1]=4 5638 B13R1.152 CC(C(=O)O)S(=O)c1ccccc1 Amb18292847 [0,2,0,0,0,0|1,0,1]=4 5639 B13R1.152 CC(C(=S)C(=O)O)c1ccccc1 Amb27409058 [0,2,0,0,0,0|0,0,1]=3 5640 B13R1.152 CC(C(N)=O)C(=O)c1ccccc1 Amb17594504 [0,2,0,0,0,0|1,0,1]=4 5641 B13R1.152 CC(C)=C(C)C(=O)c1ccccc1 Amb27972933 [0,2,0,0,0,0|2,0,0]=4 5642 B13R1.152 CC(c1ccccc1)C(N)C(=O)O Amb10072242 [0,2,0,0,0,0|0,0,2]=4 5643 B13R1.152 CC(c1ccccc1)C(N)C(=O)O Amb2696733 [0,2,0,0,0,0|0,0,2]=4 5644 B13R1.152 CC(c1ccccc1)C(O)C(=O)O Amb33537959 [0,2,0,0,0,0|0,0,2]=4 5645 B13R1.152 CC(c1ccccc1)[C@@H](C)C(=O)O Amb33744674 [0,2,0,0,0,0|0,0,2]=4 5646 B13R1.152 CC(c1ccccc1)[C@H](C)C(=O)O Amb33744350 [0,2,0,0,0,0|0,0,2]=4 5647 B13R1.152 CC(c1ccccc1)[C@H](N)C(=O)O Amb2694835 [0,2,0,0,0,0|0,0,2]=4 5648 B13R1.152 CN(C(=O)C(=O)O)c1ccccc1 Amb9303801 [0,2,0,0,0,0|1,0,0]=3 5649 B13R1.152 CN(C(=O)C(N)=O)c1ccccc1 Amb27834347 [0,2,0,0,0,0|2,0,0]=4 5650 B13R1.152 CN(C(N)=O)C(=O)c1ccccc1 Amb28127605 [0,2,0,0,0,0|2,0,0]=4 5651 B13R1.152 CN(O)C(=O)C(=O)c1ccccc1 Amb28074665 [0,2,0,0,0,0|2,0,0]=4 5652 B13R1.152 C[C@@H](C(=O)O)[C@@H](C)c1ccccc1 Amb27407054 [0,2,0,0,0,0|0,0,2]=4 5653 B13R1.152 C[C@@H](C(=O)O)[C@H](O)c1ccccc1 Amb28239779 [0,2,0,0,0,0|0,0,2]=4 5654 B13R1.152 C[C@@H](c1ccccc1)C(N)C(=O)O Amb27645474 [0,2,0,0,0,0|0,0,2]=4 5655 B13R1.152 C[C@@H](c1ccccc1)[C@H](N)C(=O)O Amb4021752 [0,2,0,0,0,0|0,0,2]=4 5656 B13R1.152 C[C@H](C(=O)O)C(O)c1ccccc1 Amb27408977 [0,2,0,0,0,0|0,0,2]=4 5657 B13R1.152 C[C@H](C(=O)O)N(C)c1ccccc1 Amb27234440 [0,2,0,0,0,0|1,0,1]=4 5658 B13R1.152 C[C@H](C(=O)O)S(=O)c1ccccc1 Amb27848039 [0,2,0,0,0,0|1,0,1]=4 5659 B13R1.152 C[C@H](C(=O)O)[C@@H](N)c1ccccc1 Amb27392248 [0,2,0,0,0,0|0,0,2]=4 5660 B13R1.152 C[C@H](C(=O)O)[C@H](C)c1ccccc1 Amb28244756 [0,2,0,0,0,0|0,0,2]=4 5661 B13R1.152 C[C@H](c1ccccc1)[C@@H](N)C(=O)O Amb22801136 [0,2,0,0,0,0|0,0,2]=4 5662 B13R1.152 C[C@H](c1ccccc1)[C@H](N)C(=O)O Amb28243568 [0,2,0,0,0,0|0,0,2]=4 5663 B13R1.152 C\C(=C(/C)C(C)O)c1ccccc1 Amb28292145 [0,2,0,0,0,0|1,0,1]=4 5664 B13R1.152 C\C(=C(\F)C(=O)O)c1ccccc1 Amb18128594 [0,2,0,0,0,0|0,0,0]=2 5665 B13R1.152 C\C(=C(\F)C(=O)O)c1ccncn1 Amb27803174 [0,2,0,0,0,0|2,0,0]=4 5666 B13R1.152 C\C(=C(\F)C(=O)O)c1cnccn1 Amb27416019 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.152 C\C(C(=O)O)=C(\C)c1ccccc1 Amb18127724 [0,2,0,0,0,0|0,0,0]=2 5668 B13R1.152 C\C(C(=O)O)=C(\C)c1ccncc1 Amb27485139 [0,2,0,0,0,0|1,0,0]=3 5669 B13R1.152 C\C(C(=O)O)=C(\C)c1cnccn1 Amb27485138 [0,2,0,0,0,0|2,0,0]=4 5670 B13R1.152 C\C(C(N)=S)=C(\N)c1ccccc1 Amb27469737 [0,2,0,0,0,0|1,1,0]=4 5671 B13R1.152 C\C(F)=C(\F)C(=O)c1ccccc1 Amb27803645 [0,2,0,0,0,0|2,0,0]=4 5672 B13R1.152 C\C(N)=C(\C)C(=O)c1ccccc1 Amb28071213 [0,2,0,0,0,0|2,0,0]=4 5673 B13R1.152 C\C(O)=C(\C)C(=O)c1ccccc1 Amb24378973 [0,2,0,0,0,0|1,0,0]=3 5674 B13R1.152 NC(=O)C(=O)C(Cl)c1ccccc1 Amb27878632 [0,2,0,0,0,0|1,0,1]=4 5675 B13R1.152 NC(C(=O)O)C(Cl)c1ccccc1 Amb9809972 [0,2,0,0,0,0|0,0,2]=4 5676 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 Amb2228459 [0,2,0,0,0,0|0,0,2]=4 5677 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 Amb533731 [0,2,0,0,0,0|0,0,2]=4 5678 B13R1.152 NC(c1ccccc1)C(F)C(=O)O Amb28248481 [0,2,0,0,0,0|0,0,2]=4 5679 B13R1.152 NC(c1ccccc1)C(O)C(=O)O Amb2697384 [0,2,0,0,0,0|0,0,2]=4 5680 B13R1.152 N[C@@H](C(=O)O)[C@@H](F)c1ccccc1 Amb27400343 [0,2,0,0,0,0|0,0,2]=4 5681 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 Amb26968525 [0,2,0,0,0,0|0,0,2]=4 5682 B13R1.152 N[C@@H](C(=O)O)[C@H](F)c1ccccc1 Amb27179073 [0,2,0,0,0,0|0,0,2]=4 5683 B13R1.152 N[C@@H](c1ccccc1)C(F)C(=O)O Amb27827423 [0,2,0,0,0,0|0,0,2]=4 5684 B13R1.152 N[C@@H](c1ccccc1)C(O)C(=O)O Amb28422254 [0,2,0,0,0,0|0,0,2]=4 5685 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O Amb10601661 [0,2,0,0,0,0|0,0,2]=4 5686 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O Amb16231605 [0,2,0,0,0,0|0,0,2]=4 5687 B13R1.152 N[C@@H](c1ccccc1)[C@H](O)C(=O)O Amb27874033 [0,2,0,0,0,0|0,0,2]=4 5688 B13R1.152 N[C@H](C(=O)O)C(O)c1ccccc1 Amb27180158 [0,2,0,0,0,0|0,0,2]=4 5689 B13R1.152 N[C@H](C(=O)O)[C@@H](F)c1ccccc1 Amb27983777 [0,2,0,0,0,0|0,0,2]=4 5690 B13R1.152 N[C@H](C(=O)O)[C@H](F)c1ccccc1 Amb27974203 [0,2,0,0,0,0|0,0,2]=4 5691 B13R1.152 N[C@H](C(=O)O)[C@H](O)c1ccccc1 Amb8516907 [0,2,0,0,0,0|0,0,2]=4 5692 B13R1.152 N[C@H](c1ccccc1)[C@@H](O)C(=O)O Amb17779638 [0,2,0,0,0,0|0,0,2]=4 5693 B13R1.152 N[C@H](c1ccccc1)[C@H](O)C(=O)O Amb17619345 [0,2,0,0,0,0|0,0,2]=4 5694 B13R1.152 N[C@H](c1ccccc1)[C@H](O)C(=O)O Amb22745018 [0,2,0,0,0,0|0,0,2]=4 5695 B13R1.152 O=C(O)C(=O)C(=O)c1ccccc1 Amb31096952 [0,2,0,0,0,0|0,0,0]=2 5696 B13R1.152 O=C(O)C(=O)C(=O)c1ccccn1 Amb31096954 [0,2,0,0,0,0|1,0,0]=3 5697 B13R1.152 O=C(O)C(=O)C(=O)c1cccnc1 Amb31096955 [0,2,0,0,0,0|1,0,0]=3 5698 B13R1.152 O=C(O)C(=O)C(=O)c1ccncc1 Amb31096956 [0,2,0,0,0,0|1,0,0]=3 5699 B13R1.152 O=C(O)C(=O)C(Br)c1ccccc1 Amb18135901 [0,2,0,0,0,0|0,0,1]=3 5700 B13R1.152 O=C(O)C(=O)C(F)c1ccccc1 Amb27179146 [0,2,0,0,0,0|0,0,1]=3 5701 B13R1.152 O=C(O)C(=O)C(O)c1ccccc1 Amb27400378 [0,2,0,0,0,0|0,0,1]=3 5702 B13R1.152 O=C(O)C(Br)C(Br)c1ccccc1 Amb6335786 [0,2,0,0,0,0|0,0,2]=4 5703 B13R1.152 O=C(O)C(Cl)C(Cl)c1ccccc1 Amb18132697 [0,2,0,0,0,0|0,0,2]=4 5704 B13R1.152 O=C(O)C(O)C(Br)c1ccccc1 Amb17596766 [0,2,0,0,0,0|0,0,2]=4 5705 B13R1.152 O=C(O)C(O)C(O)c1ccccc1 Amb2799349 [0,2,0,0,0,0|0,0,2]=4 5706 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)c1ccccc1 Amb559389 [0,2,0,0,0,0|0,0,2]=4 5707 B13R1.152 O=C(O)[C@@H](O)[C@H](Cl)c1ccccc1 Amb27438527 [0,2,0,0,0,0|0,0,2]=4 5708 B13R1.152 O=C(O)\C(Br)=C(/Br)c1ccccc1 Amb28240921 [0,2,0,0,0,0|0,0,0]=2 5709 B13R1.152 O=C(O)\C(Br)=C(\Br)c1ccccc1 Amb4013024 [0,2,0,0,0,0|0,0,0]=2 5710 B13R1.152 O=C(O)\C(Cl)=C(\F)c1ccccc1 Amb26913366 [0,2,0,0,0,0|0,0,0]=2 5711 B13R1.202 C=C(Cc1ccccc1C)C(=O)O Amb27401861 [0,2,0,0,0,0|0,0,1]=3 5712 B13R1.202 C=C(Oc1ccccc1O)C(N)=O Amb18648219 [0,2,0,0,0,0|2,0,0]=4 5713 B13R1.202 CC(=O)C(=O)Cc1ccccc1Br Amb27241132 [0,2,0,0,0,0|1,0,1]=4 5714 B13R1.202 CC(=O)C(=O)Cc1ccccc1C Amb25158383 [0,2,0,0,0,0|1,0,1]=4 5715 B13R1.202 CC(=O)C(=O)Cc1ccccc1Cl Amb26452970 [0,2,0,0,0,0|1,0,1]=4 5716 B13R1.202 CC(=O)C(=O)Cc1ccccc1F Amb23603624 [0,2,0,0,0,0|1,0,1]=4 5717 B13R1.202 CC(=O)C(=O)Nc1ccccc1Br Amb17410539 [0,2,0,0,0,0|2,0,0]=4 5718 B13R1.202 CC(=O)C(=O)Nc1ccccc1C Amb17400598 [0,2,0,0,0,0|2,0,0]=4 5719 B13R1.202 CC(=O)C(=O)Nc1ccccc1Cl Amb17402222 [0,2,0,0,0,0|2,0,0]=4 5720 B13R1.202 CC(=O)C(=O)Nc1ccccc1F Amb17400855 [0,2,0,0,0,0|2,0,0]=4 5721 B13R1.202 CC(=O)\C(C)=C\c1cnccc1C Amb27610193 [0,2,0,0,0,0|2,0,0]=4 5722 B13R1.202 CC(Cc1ccccc1Br)C(=O)O Amb17605816 [0,2,0,0,0,0|0,0,2]=4 5723 B13R1.202 CC(Cc1ccccc1Cl)C(=O)O Amb2785264 [0,2,0,0,0,0|0,0,2]=4 5724 B13R1.202 CC(Cc1ccccc1F)C(=O)O Amb5744013 [0,2,0,0,0,0|0,0,2]=4 5725 B13R1.202 CC(Cc1ccccc1O)C(=O)O Amb10844200 [0,2,0,0,0,0|0,0,2]=4 5726 B13R1.202 CC(Nc1ccccc1Br)C(=O)O Amb840563 [0,2,0,0,0,0|1,0,1]=4 5727 B13R1.202 CC(Nc1ccccc1Cl)C(=O)O Amb840560 [0,2,0,0,0,0|1,0,1]=4 5728 B13R1.202 CC(Nc1ccccc1F)C(=O)O Amb840557 [0,2,0,0,0,0|1,0,1]=4 5729 B13R1.202 CC(Nc1ccccc1I)C(=O)O Amb27657485 [0,2,0,0,0,0|1,0,1]=4 5730 B13R1.202 CC(O)\C(Cl)=C\c1ccccc1O Amb28411256 [0,2,0,0,0,0|1,0,1]=4 5731 B13R1.202 CC(Oc1ccccc1Br)C(=O)O Amb9704262 [0,2,0,0,0,0|1,0,1]=4 5732 B13R1.202 CC(Oc1ccccc1Cl)C(=O)O Amb9704614 [0,2,0,0,0,0|1,0,1]=4 5733 B13R1.202 CC(Oc1ccccc1F)C(=O)O Amb9702562 [0,2,0,0,0,0|1,0,1]=4 5734 B13R1.202 CC(Oc1ccccc1I)C(=O)O Amb9339551 [0,2,0,0,0,0|1,0,1]=4 5735 B13R1.202 CC(Oc1ccccc1N)C(=O)O Amb17110011 [0,2,0,0,0,0|1,0,1]=4 5736 B13R1.202 CC(Sc1ccccc1Cl)C(=O)O Amb1126189 [0,2,0,0,0,0|1,0,1]=4 5737 B13R1.202 CC(Sc1ccccc1O)C(=O)O Amb18984793 [0,2,0,0,0,0|1,0,1]=4 5738 B13R1.202 C[C@@H](Cc1ccccc1Cl)C(=O)O Amb10844213 [0,2,0,0,0,0|0,0,2]=4 5739 B13R1.202 C[C@@H](Cc1ccccc1F)C(=O)O Amb10844134 [0,2,0,0,0,0|0,0,2]=4 5740 B13R1.202 C[C@H](Cc1ccccc1Cl)C(=O)O Amb10844130 [0,2,0,0,0,0|0,0,2]=4 5741 B13R1.202 C[C@H](Cc1ccccc1F)C(=O)O Amb10844133 [0,2,0,0,0,0|0,0,2]=4 5742 B13R1.202 C[C@H](Nc1ccccc1Cl)C(=O)O Amb28121138 [0,2,0,0,0,0|1,0,1]=4 5743 B13R1.202 C\C(=C/c1ccccc1Br)C(=O)O Amb27181049 [0,2,0,0,0,0|0,0,0]=2 5744 B13R1.202 C\C(=C/c1ccccc1C)C(=O)O Amb4013359 [0,2,0,0,0,0|0,0,0]=2 5745 B13R1.202 C\C(=C/c1ccccc1C)[N+](=O)[O-] Amb24060081 [0,2,0,0,0,0|1,0,1]=4 5746 B13R1.202 C\C(=C/c1ccccc1Cl)C(=O)O Amb4005937 [0,2,0,0,0,0|0,0,0]=2 5747 B13R1.202 C\C(=C/c1ccccc1F)C(=O)O Amb5743929 [0,2,0,0,0,0|0,0,0]=2 5748 B13R1.202 C\C(=C/c1ccccc1O)C(=O)O Amb27881651 [0,2,0,0,0,0|0,0,0]=2 5749 B13R1.202 C\C(=C/c1ccccc1O)[N+](=O)[O-] Amb4078946 [0,2,0,0,0,0|1,0,1]=4 5750 B13R1.202 C\C(=C/c1nccnc1C)C(=O)O Amb35600948 [0,2,0,0,0,0|2,0,0]=4 5751 B13R1.202 C\C(=C\c1ccccc1Br)C(=O)O Amb28128655 [0,2,0,0,0,0|0,0,0]=2 5752 B13R1.202 C\C(=C\c1ccccc1C)[N+](=O)[O-] Amb24661463 [0,2,0,0,0,0|1,0,1]=4 5753 B13R1.202 C\C(=C\c1ccccc1F)C(=O)O Amb27403871 [0,2,0,0,0,0|0,0,0]=2 5754 B13R1.202 C\C(=C\c1ccccc1F)[N+](=O)[O-] Amb27973334 [0,2,0,0,0,0|1,0,1]=4 5755 B13R1.202 C\C(=C\c1ccccc1N)C(=O)O Amb28436850 [0,2,0,0,0,0|0,0,0]=2 5756 B13R1.202 C\C(=N/c1ccccc1C)C(=O)O Amb27415502 [0,2,0,0,0,0|1,0,0]=3 5757 B13R1.202 Cc1ccccc1CC(=O)C(=O)O Amb1125804 [0,2,0,0,0,0|0,0,1]=3 5758 B13R1.202 Cc1ccccc1CC(Br)C(=O)O Amb23320597 [0,2,0,0,0,0|0,0,2]=4 5759 B13R1.202 Cc1ccccc1CC(C)C(=O)O Amb5744011 [0,2,0,0,0,0|0,0,2]=4 5760 B13R1.202 Cc1ccccc1CC(Cl)C(=O)O Amb17204374 [0,2,0,0,0,0|0,0,2]=4 5761 B13R1.202 Cc1ccccc1CC(N)C(=O)O Amb3788277 [0,2,0,0,0,0|0,0,2]=4 5762 B13R1.202 Cc1ccccc1CC(N)C(=O)O Amb5718718 [0,2,0,0,0,0|0,0,2]=4 5763 B13R1.202 Cc1ccccc1CC(O)C(=O)O Amb17138948 [0,2,0,0,0,0|0,0,2]=4 5764 B13R1.202 Cc1ccccc1CC(S)C(=O)O Amb18968267 [0,2,0,0,0,0|0,0,2]=4 5765 B13R1.202 Cc1ccccc1C[C@@H](C)C(=O)O Amb10844135 [0,2,0,0,0,0|0,0,2]=4 5766 B13R1.202 Cc1ccccc1C[C@@H](N)C(=O)O Amb8397008 [0,2,0,0,0,0|0,0,2]=4 5767 B13R1.202 Cc1ccccc1C[C@H](C)C(=O)O Amb10844136 [0,2,0,0,0,0|0,0,2]=4 5768 B13R1.202 Cc1ccccc1C[C@H](N)C(=O)O Amb8397005 [0,2,0,0,0,0|0,0,2]=4 5769 B13R1.202 Cc1ccccc1NC(=O)C(=O)O Amb838973 [0,2,0,0,0,0|1,0,0]=3 5770 B13R1.202 Cc1ccccc1NC(C)C(=O)O Amb840547 [0,2,0,0,0,0|1,0,1]=4 5771 B13R1.202 Cc1ccccc1N[C@@H](C)C(=O)O Amb16231747 [0,2,0,0,0,0|1,0,1]=4 5772 B13R1.202 Cc1ccccc1OC(C)C(=O)O Amb9704479 [0,2,0,0,0,0|1,0,1]=4 5773 B13R1.202 Cc1ccccc1\C=C(/F)C(=O)O Amb32677834 [0,2,0,0,0,0|0,0,0]=2 5774 B13R1.202 Cc1ccccc1\C=C(/S)C(=O)O Amb24115487 [0,2,0,0,0,0|0,0,0]=2 5775 B13R1.202 Cc1ccccc1\C=C(\N)C(=O)O Amb28078042 [0,2,0,0,0,0|0,0,0]=2 5776 B13R1.202 Cc1ccccc1\C=C(\S)C(=O)O Amb27650601 [0,2,0,0,0,0|0,0,0]=2 5777 B13R1.202 Cc1cccnc1CC(=O)C(=O)O Amb33429020 [0,2,0,0,0,0|1,0,1]=4 5778 B13R1.202 Cc1ccncc1CC(=O)C(=O)O Amb33377101 [0,2,0,0,0,0|1,0,1]=4 5779 B13R1.202 Cc1ccncc1\C=C(\N)C(=O)O Amb27664554 [0,2,0,0,0,0|1,0,0]=3 5780 B13R1.202 Cc1cnccc1CC(=O)C(=O)O Amb33414514 [0,2,0,0,0,0|1,0,1]=4 5781 B13R1.202 Cc1ncccc1CC(=O)C(=O)O Amb32880135 [0,2,0,0,0,0|1,0,1]=4 5782 B13R1.202 Cc1nccnc1\C=C(\F)C(=O)O Amb35600949 [0,2,0,0,0,0|2,0,0]=4 5783 B13R1.202 N=C(Nc1ccccc1Cl)C(=O)O Amb27876025 [0,2,0,0,0,0|1,0,0]=3 5784 B13R1.202 N=C(Nc1ccccc1O)S(=O)O Amb17595301 [0,2,0,0,0,0|2,0,0]=4 5785 B13R1.202 NC(=O)C(=O)Nc1ccccc1Br Amb27604038 [0,2,0,0,0,0|2,0,0]=4 5786 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl Amb1014777 [0,2,0,0,0,0|2,0,0]=4 5787 B13R1.202 NC(=O)C(=O)Nc1ccccc1F Amb3613983 [0,2,0,0,0,0|2,0,0]=4 5788 B13R1.202 NC(=O)C(=O)Nc1ccccc1I Amb28047939 [0,2,0,0,0,0|2,0,0]=4 5789 B13R1.202 NC(=O)C(=S)Nc1ccccc1N Amb27471763 [0,2,0,0,0,0|2,0,0]=4 5790 B13R1.202 NC(Cc1ccccc1Br)C(=O)O Amb28963434 [0,2,0,0,0,0|0,0,2]=4 5791 B13R1.202 NC(Cc1ccccc1Br)C(=O)O Amb3790942 [0,2,0,0,0,0|0,0,2]=4 5792 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O Amb22723318 [0,2,0,0,0,0|0,0,2]=4 5793 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O Amb9720245 [0,2,0,0,0,0|0,0,2]=4 5794 B13R1.202 NC(Cc1ccccc1F)C(=O)O Amb9725850 [0,2,0,0,0,0|0,0,2]=4 5795 B13R1.202 NC(Cc1ccccc1I)C(=O)O Amb3796905 [0,2,0,0,0,0|0,0,2]=4 5796 B13R1.202 NC(Cc1ccccc1O)C(=O)O Amb4035732 [0,2,0,0,0,0|0,0,2]=4 5797 B13R1.202 N[C@@H](Cc1ccccc1Br)C(=O)O Amb6295856 [0,2,0,0,0,0|0,0,2]=4 5798 B13R1.202 N[C@@H](Cc1ccccc1Cl)C(=O)O Amb2720121 [0,2,0,0,0,0|0,0,2]=4 5799 B13R1.202 N[C@@H](Cc1ccccc1F)C(=O)O Amb6295853 [0,2,0,0,0,0|0,0,2]=4 5800 B13R1.202 N[C@@H](Cc1ccccc1I)C(=O)O Amb22228856 [0,2,0,0,0,0|0,0,2]=4 5801 B13R1.202 N[C@@H](Cc1ccccc1O)C(=O)O Amb23440357 [0,2,0,0,0,0|0,0,2]=4 5802 B13R1.202 N[C@@H](Cc1ccccc1O)C(=O)O Amb8396994 [0,2,0,0,0,0|0,0,2]=4 5803 B13R1.202 N[C@H](Cc1ccccc1Br)C(=O)O Amb8389456 [0,2,0,0,0,0|0,0,2]=4 5804 B13R1.202 N[C@H](Cc1ccccc1Cl)C(=O)O Amb8396997 [0,2,0,0,0,0|0,0,2]=4 5805 B13R1.202 N[C@H](Cc1ccccc1F)C(=O)O Amb33813069 [0,2,0,0,0,0|0,0,2]=4 5806 B13R1.202 N[C@H](Cc1ccccc1F)C(=O)O Amb8389454 [0,2,0,0,0,0|0,0,2]=4 5807 B13R1.202 N[C@H](Cc1ccccc1I)C(=O)O Amb22228855 [0,2,0,0,0,0|0,0,2]=4 5808 B13R1.202 N[C@H](Cc1ccccc1O)C(=O)O Amb8396993 [0,2,0,0,0,0|0,0,2]=4 5809 B13R1.202 N[C@H](Cc1ccccc1S)C(=O)O Amb27468501 [0,2,0,0,0,0|0,0,2]=4 5810 B13R1.202 N\C(=C\c1ccccc1Cl)C(=O)O Amb28456914 [0,2,0,0,0,0|0,0,0]=2 5811 B13R1.202 Nc1ccccc1CC(=S)C(=O)O Amb27415505 [0,2,0,0,0,0|0,0,1]=3 5812 B13R1.202 Nc1ccccc1CC(Cl)C(=O)O Amb27232765 [0,2,0,0,0,0|0,0,2]=4 5813 B13R1.202 Nc1ccccc1CC(N)C(=O)O Amb22002697 [0,2,0,0,0,0|0,0,2]=4 5814 B13R1.202 Nc1ccccc1C[C@@H](N)C(=O)O Amb22228579 [0,2,0,0,0,0|0,0,2]=4 5815 B13R1.202 Nc1ccccc1C[C@H](N)C(=O)O Amb22228581 [0,2,0,0,0,0|0,0,2]=4 5816 B13R1.202 O=C(O)C(=O)Cc1ccccc1Br Amb6261503 [0,2,0,0,0,0|0,0,1]=3 5817 B13R1.202 O=C(O)C(=O)Cc1ccccc1Cl Amb1135873 [0,2,0,0,0,0|0,0,1]=3 5818 B13R1.202 O=C(O)C(=O)Cc1ccccc1F Amb6249101 [0,2,0,0,0,0|0,0,1]=3 5819 B13R1.202 O=C(O)C(=O)Cc1ccccc1O Amb26601164 [0,2,0,0,0,0|0,0,1]=3 5820 B13R1.202 O=C(O)C(=O)Cc1cccnc1Br Amb33387453 [0,2,0,0,0,0|1,0,1]=4 5821 B13R1.202 O=C(O)C(=O)Cc1cccnc1Cl Amb33256969 [0,2,0,0,0,0|1,0,1]=4 5822 B13R1.202 O=C(O)C(=O)Cc1cccnc1F Amb33378326 [0,2,0,0,0,0|1,0,1]=4 5823 B13R1.202 O=C(O)C(=O)Cc1ccncc1Br Amb33385815 [0,2,0,0,0,0|1,0,1]=4 5824 B13R1.202 O=C(O)C(=O)Cc1ccncc1Cl Amb28196929 [0,2,0,0,0,0|1,0,1]=4 5825 B13R1.202 O=C(O)C(=O)Cc1ccncc1F Amb33317723 [0,2,0,0,0,0|1,0,1]=4 5826 B13R1.202 O=C(O)C(=O)Cc1ncccc1Br Amb24547998 [0,2,0,0,0,0|1,0,1]=4 5827 B13R1.202 O=C(O)C(=O)Cc1ncccc1F Amb33419186 [0,2,0,0,0,0|1,0,1]=4 5828 B13R1.202 O=C(O)C(=O)Nc1ccccc1Br Amb9238892 [0,2,0,0,0,0|1,0,0]=3 5829 B13R1.202 O=C(O)C(=O)Nc1ccccc1Cl Amb9303981 [0,2,0,0,0,0|1,0,0]=3 5830 B13R1.202 O=C(O)C(=O)Nc1ccccc1F Amb9303984 [0,2,0,0,0,0|1,0,0]=3 5831 B13R1.202 O=C(O)C(=O)Nc1ccccc1O Amb18128783 [0,2,0,0,0,0|1,0,0]=3 5832 B13R1.202 O=C(O)C(=O)Nc1ncccc1Br Amb27668639 [0,2,0,0,0,0|2,0,0]=4 5833 B13R1.202 O=C(O)C(=S)Cc1ccccc1Cl Amb26316839 [0,2,0,0,0,0|0,0,1]=3 5834 B13R1.202 O=C(O)C(=S)Cc1ccccc1O Amb28044414 [0,2,0,0,0,0|0,0,1]=3 5835 B13R1.202 O=C(O)C(Br)Cc1ccccc1Br Amb22549389 [0,2,0,0,0,0|0,0,2]=4 5836 B13R1.202 O=C(O)C(Br)Cc1ccccc1Cl Amb2228490 [0,2,0,0,0,0|0,0,2]=4 5837 B13R1.202 O=C(O)C(Br)Cc1ccccc1F Amb22049841 [0,2,0,0,0,0|0,0,2]=4 5838 B13R1.202 O=C(O)C(Br)Cc1ccccc1O Amb27241205 [0,2,0,0,0,0|0,0,2]=4 5839 B13R1.202 O=C(O)C(Cl)Cc1ccccc1Br Amb17204843 [0,2,0,0,0,0|0,0,2]=4 5840 B13R1.202 O=C(O)C(Cl)Cc1ccccc1Cl Amb17204490 [0,2,0,0,0,0|0,0,2]=4 5841 B13R1.202 O=C(O)C(Cl)Cc1ccccc1F Amb17204397 [0,2,0,0,0,0|0,0,2]=4 5842 B13R1.202 O=C(O)C(F)Cc1ccccc1Br Amb27843640 [0,2,0,0,0,0|0,0,2]=4 5843 B13R1.202 O=C(O)C(F)Oc1ccccc1Cl Amb27263606 [0,2,0,0,0,0|1,0,1]=4 5844 B13R1.202 O=C(O)C(F)Oc1ccccc1F Amb27241900 [0,2,0,0,0,0|1,0,1]=4 5845 B13R1.202 O=C(O)C(F)Sc1ccccc1O Amb27397775 [0,2,0,0,0,0|1,0,1]=4 5846 B13R1.202 O=C(O)C(O)Cc1ccccc1Br Amb26914266 [0,2,0,0,0,0|0,0,2]=4 5847 B13R1.202 O=C(O)C(O)Cc1ccccc1Cl Amb17139822 [0,2,0,0,0,0|0,0,2]=4 5848 B13R1.202 O=C(O)C(O)Cc1ccccc1F Amb17139079 [0,2,0,0,0,0|0,0,2]=4 5849 B13R1.202 O=C(O)C(O)Cc1ccccc1O Amb24692674 [0,2,0,0,0,0|0,0,2]=4 5850 B13R1.202 O=C(O)[C@H](O)Cc1ccccc1F Amb28291609 [0,2,0,0,0,0|0,0,2]=4 5851 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Br Amb27415913 [0,2,0,0,0,0|0,0,0]=2 5852 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Cl Amb25256125 [0,2,0,0,0,0|0,0,0]=2 5853 B13R1.202 O=C(O)\C(F)=C\c1ccccc1F Amb27812349 [0,2,0,0,0,0|0,0,0]=2 5854 B13R1.202 O=C(O)\C(S)=C/c1ccccc1Cl Amb2550971 [0,2,0,0,0,0|0,0,0]=2 5855 B13R1.353 C\C(=C/c1ccccc1)C(C)(C)O Amb33476397 [0,2,0,0,0,0|1,0,1]=4 5856 B13R1.353 C\C(=C\c1ccccc1)S(=O)(=O)Cl Amb27493389 [0,2,0,0,0,0|1,0,1]=4 5857 B13R1.353 N\C(=N/c1ccccc1)S(=O)(=O)O Amb24399284 [0,2,0,0,0,0|2,0,0]=4 5858 B13R1.353 O=C(Nc1ccccc1)P(=O)(O)O Amb27230618 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.353 O=P(O)(O)C(=S)Nc1ccccc1 Amb27797329 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.418 C=C\C(=C\c1ccccc1)C(C)=O Amb27486089 [0,2,0,0,0,0|1,0,0]=3 5861 B13R1.418 CC(=O)C(Cc1ccccc1)=[N+]=[N-] Amb17594403 [0,2,0,0,0,0|1,0,1]=4 5862 B13R1.418 CC(=O)\C(=C/N)Cc1ccccc1 Amb17777847 [0,2,0,0,0,0|1,0,1]=4 5863 B13R1.418 CC(=O)\C(=C/O)Cc1ccccc1 Amb27260481 [0,2,0,0,0,0|1,0,1]=4 5864 B13R1.418 CC(=O)\C(=C/[O-])Cc1ccccc1 Amb21947890 [0,2,0,0,0,0|1,0,1]=4 5865 B13R1.418 CC(=O)\C(=C/[O-])Cc1ccccc1 Amb21947891 [0,2,0,0,0,0|1,0,1]=4 5866 B13R1.418 CC(=O)\C(=C\N)Sc1ccccc1 Amb26873942 [0,2,0,0,0,0|2,0,0]=4 5867 B13R1.418 CC(=O)\C(=C\c1ccccc1)CCl Amb27252370 [0,2,0,0,0,0|1,0,0]=3 5868 B13R1.418 CC(=O)\C(Cc1ccccc1)=N/O Amb28202239 [0,2,0,0,0,0|1,0,1]=4 5869 B13R1.418 CC(O)\C(C#N)=C\c1ccccc1 Amb18127057 [0,2,0,0,0,0|1,0,1]=4 5870 B13R1.418 CCC(Cc1ccccc1)C(=O)O Amb5744036 [0,2,0,0,0,0|0,0,2]=4 5871 B13R1.418 CCC(Nc1ccccc1)C(=O)O Amb9702181 [0,2,0,0,0,0|1,0,1]=4 5872 B13R1.418 CCC(Oc1ccccc1)C(=O)O Amb6334837 [0,2,0,0,0,0|1,0,1]=4 5873 B13R1.418 CCC(Sc1ccccc1)C(=O)O Amb5721598 [0,2,0,0,0,0|1,0,1]=4 5874 B13R1.418 CC[C@@H](Nc1ccccc1)C(=O)O Amb33347517 [0,2,0,0,0,0|1,0,1]=4 5875 B13R1.418 CC[C@H](Nc1ccccc1)C(=O)O Amb33347515 [0,2,0,0,0,0|1,0,1]=4 5876 B13R1.418 CC\C(=C/c1ccccc1)C(=O)O Amb4021410 [0,2,0,0,0,0|0,0,0]=2 5877 B13R1.418 CC\C(=C/c1ccccc1)C(C)=O Amb25285770 [0,2,0,0,0,0|1,0,0]=3 5878 B13R1.418 CC\C(=C/c1ccccn1)C(=O)O Amb5743950 [0,2,0,0,0,0|1,0,0]=3 5879 B13R1.418 CC\C(=C/c1ccccn1)C(C)=O Amb28199981 [0,2,0,0,0,0|2,0,0]=4 5880 B13R1.418 CC\C(=C/c1cccnc1)C(=O)O Amb5743951 [0,2,0,0,0,0|1,0,0]=3 5881 B13R1.418 CC\C(=C/c1ccncc1)C(=O)O Amb5743952 [0,2,0,0,0,0|1,0,0]=3 5882 B13R1.418 CC\C(=C/c1ccncn1)C(=O)O Amb32682115 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.418 CC\C(=C/c1cnccn1)C(=O)O Amb32682271 [0,2,0,0,0,0|2,0,0]=4 5884 B13R1.418 CC\C(=C/c1cncnc1)C(=O)O Amb32682140 [0,2,0,0,0,0|2,0,0]=4 5885 B13R1.418 CC\C(=C\c1ccccn1)C(C)=O Amb28054425 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.418 CC\C(=C\c1cccnc1)C(=O)O Amb28321006 [0,2,0,0,0,0|1,0,0]=3 5887 B13R1.418 CC\C(=C\c1cccnc1)C(C)=O Amb27844143 [0,2,0,0,0,0|2,0,0]=4 5888 B13R1.418 CNC(Cc1ccccc1)C(=O)O Amb33983942 [0,2,0,0,0,0|0,0,2]=4 5889 B13R1.418 CNC(Cc1ccccc1)C(=O)O Amb9619791 [0,2,0,0,0,0|0,0,2]=4 5890 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O Amb10604038 [0,2,0,0,0,0|0,0,2]=4 5891 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O Amb22744994 [0,2,0,0,0,0|0,0,2]=4 5892 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O Amb16183857 [0,2,0,0,0,0|0,0,2]=4 5893 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O Amb33801550 [0,2,0,0,0,0|0,0,2]=4 5894 B13R1.418 COC(Cc1ccccc1)C(=O)O Amb18128650 [0,2,0,0,0,0|0,0,2]=4 5895 B13R1.418 CO\C(=C/c1ccccc1)C(=O)O Amb1945718 [0,2,0,0,0,0|0,0,0]=2 5896 B13R1.418 CO\C(=C\c1ccccc1)C(=O)O Amb28242324 [0,2,0,0,0,0|0,0,0]=2 5897 B13R1.418 CO\C(=C\c1ccncc1)C(C)=O Amb28201155 [0,2,0,0,0,0|2,0,0]=4 5898 B13R1.418 CS\C(=C/c1ccccn1)C(=O)O Amb1761007 [0,2,0,0,0,0|1,0,0]=3 5899 B13R1.418 CS\C(=C/c1cccnc1)C(=O)O Amb1761008 [0,2,0,0,0,0|1,0,0]=3 5900 B13R1.418 CS\C(=C/c1ccncc1)C(=O)O Amb1761006 [0,2,0,0,0,0|1,0,0]=3 5901 B13R1.418 CS\C(=C\c1ccccc1)C(=O)O Amb18130097 [0,2,0,0,0,0|0,0,0]=2 5902 B13R1.418 C\C=C(\Sc1ccccc1)C(N)=O Amb27955834 [0,2,0,0,0,0|2,0,0]=4 5903 B13R1.418 N#CC(Cc1ccccc1)C(=O)O Amb2731872 [0,2,0,0,0,0|0,0,2]=4 5904 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)Cl Amb17143094 [0,2,0,0,0,0|1,0,0]=3 5905 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)O Amb17224284 [0,2,0,0,0,0|0,0,0]=2 5906 B13R1.418 N#C\C(=C/c1ccccc1)C(N)=O Amb2222555 [0,2,0,0,0,0|1,0,0]=3 5907 B13R1.418 N#C\C(=C/c1ccccc1)C(N)=S Amb26060151 [0,2,0,0,0,0|1,1,0]=4 5908 B13R1.418 N#C\C(=C/c1ccccn1)C(=O)O Amb6245649 [0,2,0,0,0,0|1,0,0]=3 5909 B13R1.418 N#C\C(=C/c1cccnc1)C(=O)O Amb1133348 [0,2,0,0,0,0|1,0,0]=3 5910 B13R1.418 N#C\C(=C/c1cccnc1)C(=O)[O-] Amb33513112 [0,2,0,0,0,0|1,0,1]=4 5911 B13R1.418 N#C\C(=C/c1ccncc1)C(=O)O Amb1125727 [0,2,0,0,0,0|1,0,0]=3 5912 B13R1.418 N#C\C(=C/c1ccncc1)C(N)=O Amb2411609 [0,2,0,0,0,0|2,0,0]=4 5913 B13R1.418 N#C\C(=C/c1ccncn1)C(=O)O Amb27883407 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.418 N#C\C(=C/c1cnccn1)C(=O)O Amb35600935 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.418 N#C\C(=C\c1ccccc1)C(=O)O Amb4015026 [0,2,0,0,0,0|0,0,0]=2 5916 B13R1.418 N#C\C(=C\c1ccccc1)C(N)=O Amb4074010 [0,2,0,0,0,0|1,0,0]=3 5917 B13R1.418 N#C\C(=C\c1ccccc1)C(N)=S Amb2437989 [0,2,0,0,0,0|1,1,0]=4 5918 B13R1.418 N#C\C(=C\c1cccnc1)C(=O)O Amb10068989 [0,2,0,0,0,0|1,0,0]=3 5919 B13R1.418 N#C\C(=C\c1ccncc1)C(=O)O Amb32416243 [0,2,0,0,0,0|1,0,0]=3 5920 B13R1.418 NC(=O)\C(=C\O)Sc1ccccc1 Amb27630458 [0,2,0,0,0,0|2,0,0]=4 5921 B13R1.418 NCC(Cc1ccccc1)C(=O)O Amb2697356 [0,2,0,0,0,0|0,0,2]=4 5922 B13R1.418 NCC(Cc1ccccc1)C(=O)O Amb33547962 [0,2,0,0,0,0|0,0,2]=4 5923 B13R1.418 NCC(Oc1ccccc1)C(=O)O Amb32651876 [0,2,0,0,0,0|1,0,1]=4 5924 B13R1.418 NCC(Oc1ccccc1)C(=O)O Amb32651877 [0,2,0,0,0,0|1,0,1]=4 5925 B13R1.418 NC[C@@H](Cc1ccccc1)C(=O)O Amb22745974 [0,2,0,0,0,0|0,0,2]=4 5926 B13R1.418 NC[C@@H](Cc1ccccc1)C(=O)O Amb22745975 [0,2,0,0,0,0|0,0,2]=4 5927 B13R1.418 NC[C@@H](Oc1ccccc1)C(=O)O Amb32652164 [0,2,0,0,0,0|1,0,1]=4 5928 B13R1.418 NC[C@@H](Oc1ccccc1)C(=O)O Amb32652167 [0,2,0,0,0,0|1,0,1]=4 5929 B13R1.418 NC[C@H](Cc1ccccc1)C(=O)O Amb33329263 [0,2,0,0,0,0|0,0,2]=4 5930 B13R1.418 NC[C@H](Cc1ccccc1)C(=O)O Amb33457755 [0,2,0,0,0,0|0,0,2]=4 5931 B13R1.418 NC[C@H](Oc1ccccc1)C(=O)O Amb32652288 [0,2,0,0,0,0|1,0,1]=4 5932 B13R1.418 NC[C@H](Oc1ccccc1)C(=O)O Amb32652289 [0,2,0,0,0,0|1,0,1]=4 5933 B13R1.418 NC\C(=C/c1cccnc1)C(=O)O Amb27232796 [0,2,0,0,0,0|1,0,0]=3 5934 B13R1.418 NC\C(=C\c1cccnc1)C(=O)O Amb27477995 [0,2,0,0,0,0|1,0,0]=3 5935 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb32663372 [0,2,0,0,0,0|0,0,2]=4 5936 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb33339164 [0,2,0,0,0,0|0,0,2]=4 5937 B13R1.418 N\N=C(\Cc1ccccc1)C(=O)O Amb27409024 [0,2,0,0,0,0|0,0,1]=3 5938 B13R1.418 O=C(O)C(CO)Cc1ccccc1 Amb31291631 [0,2,0,0,0,0|0,0,2]=4 5939 B13R1.418 O=C(O)C(Cc1ccccc1)NO Amb33482855 [0,2,0,0,0,0|0,0,2]=4 5940 B13R1.418 O=C(O)[C@@H](CS)Nc1ccccc1 Amb27415495 [0,2,0,0,0,0|1,0,1]=4 5941 B13R1.418 O=C(O)[C@H](CO)Nc1ccccc1 Amb28243263 [0,2,0,0,0,0|1,0,1]=4 5942 B13R1.418 O=C(O)\C(=C/O)Nc1ccccc1 Amb27440517 [0,2,0,0,0,0|1,0,0]=3 5943 B13R1.418 O=C(O)\C(=C/c1ccccc1)CO Amb20671516 [0,2,0,0,0,0|0,0,0]=2 5944 B13R1.418 O=C(O)\C(=C\Cl)Cc1ccccc1 Amb27187237 [0,2,0,0,0,0|0,0,1]=3 5945 B13R1.418 O=C(O)\C(Cc1ccccc1)=N/O Amb4035775 [0,2,0,0,0,0|0,0,1]=3 5946 B13R1.418 O=C(O)\C(Cc1ccccn1)=N/O Amb23603651 [0,2,0,0,0,0|1,0,1]=4 5947 B13R1.418 O=C(O)\C(Cc1cccnc1)=N/O Amb23603650 [0,2,0,0,0,0|1,0,1]=4 5948 B13R1.418 O=C(O)\C(Cc1ccncc1)=N/O Amb23603652 [0,2,0,0,0,0|1,0,1]=4 5949 B13R1.418 O=C=C(Cc1ccccc1)C(=O)Cl Amb27607123 [0,2,0,0,0,0|1,0,1]=4 5950 B13R1.418 O=[N+]([O-])\C(=C/c1ccccc1)CO Amb27191700 [0,2,0,0,0,0|1,0,1]=4 5951 B13R1.418 [C-]#[N+]\C(=C/c1ccccc1)C(=O)O Amb27608648 [0,2,0,0,0,0|0,0,0]=2 5952 B13R1.1073 CC(Br)(Cc1ccccc1)C(=O)O Amb25957726 [0,2,0,0,0,0|0,0,2]=4 5953 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)O Amb8439763 [0,2,0,0,0,0|0,0,2]=4 5954 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)O Amb840740 [0,2,0,0,0,0|1,0,1]=4 5955 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)O Amb6551023 [0,2,0,0,0,0|1,0,1]=4 5956 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)O Amb5769190 [0,2,0,0,0,0|1,0,1]=4 5957 B13R1.1073 CC(Cl)(Cc1ccccc1)C(=O)O Amb26944936 [0,2,0,0,0,0|0,0,2]=4 5958 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O Amb28555907 [0,2,0,0,0,0|0,0,2]=4 5959 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O Amb3941655 [0,2,0,0,0,0|0,0,2]=4 5960 B13R1.1073 CC(O)(Cc1ccccc1)C(=O)O Amb10067052 [0,2,0,0,0,0|0,0,2]=4 5961 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O Amb33482937 [0,2,0,0,0,0|0,0,2]=4 5962 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O Amb8629107 [0,2,0,0,0,0|0,0,2]=4 5963 B13R1.1073 C[C@@](O)(Cc1ccccc1)C(=O)O Amb10067053 [0,2,0,0,0,0|0,0,2]=4 5964 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O Amb2720582 [0,2,0,0,0,0|0,0,2]=4 5965 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O Amb33482933 [0,2,0,0,0,0|0,0,2]=4 5966 B13R1.1073 C[C@](O)(Cc1ccccc1)C(=O)O Amb4166326 [0,2,0,0,0,0|0,0,2]=4 5967 B13R1.1073 C[C@](S)(Cc1ccccc1)C(=O)O Amb28137940 [0,2,0,0,0,0|0,0,2]=4 5968 B13R1.1073 O=C(O)C(Cl)(Cl)Cc1ccccc1 Amb28287726 [0,2,0,0,0,0|0,0,2]=4 5969 B13R1.1073 O=C(O)C(F)(F)Cc1ccccc1 Amb26334044 [0,2,0,0,0,0|0,0,2]=4 5970 B13R1.1073 O=C(O)C(F)(F)Oc1ccccc1 Amb4061775 [0,2,0,0,0,0|1,0,1]=4 5971 B13R1.147 CC(=O)CC(=O)c1cccc(Br)c1 Amb7762484 [0,2,0,0,0,0|1,0,1]=4 5972 B13R1.147 CC(=O)CC(=O)c1cccc(C)c1 Amb18178269 [0,2,0,0,0,0|1,0,1]=4 5973 B13R1.147 CC(=O)CC(=O)c1cccc(Cl)c1 Amb7762491 [0,2,0,0,0,0|1,0,1]=4 5974 B13R1.147 CC(=O)CC(=O)c1cccc(F)c1 Amb7762487 [0,2,0,0,0,0|1,0,1]=4 5975 B13R1.147 CC(=O)\C=C(\C)c1cccc(Br)c1 Amb28200229 [0,2,0,0,0,0|1,0,0]=3 5976 B13R1.147 CC(=O)\C=C(\C)c1cncc(Br)c1 Amb35676541 [0,2,0,0,0,0|2,0,0]=4 5977 B13R1.147 CC(C)=CC(=O)c1cccc(Br)c1 Amb27794194 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.147 CC(C)=CC(=O)c1cccc(C)c1 Amb28124557 [0,2,0,0,0,0|2,0,0]=4 5979 B13R1.147 CC(C)=CC(=O)c1cccc(F)c1 Amb27639818 [0,2,0,0,0,0|2,0,0]=4 5980 B13R1.147 CC(CC(=O)O)c1cccc(Br)c1 Amb10844377 [0,2,0,0,0,0|0,0,2]=4 5981 B13R1.147 CC(CC(=O)O)c1cccc(Cl)c1 Amb17236836 [0,2,0,0,0,0|0,0,2]=4 5982 B13R1.147 CC(CC(=O)O)c1cccc(F)c1 Amb6749201 [0,2,0,0,0,0|0,0,2]=4 5983 B13R1.147 CC(CC(=O)O)c1cccc(N)c1 Amb27751686 [0,2,0,0,0,0|0,0,2]=4 5984 B13R1.147 CC(CC(=O)O)c1cccc(O)c1 Amb18128622 [0,2,0,0,0,0|0,0,2]=4 5985 B13R1.147 CN(CC(=O)O)c1cccc(Br)c1 Amb17349671 [0,2,0,0,0,0|1,0,1]=4 5986 B13R1.147 CN(CC(=O)O)c1cccc(Cl)c1 Amb17337479 [0,2,0,0,0,0|1,0,1]=4 5987 B13R1.147 CN(CC(=O)O)c1cccc(F)c1 Amb17335599 [0,2,0,0,0,0|1,0,1]=4 5988 B13R1.147 C\C(=C/C(=O)Cl)c1cccc(Cl)c1 Amb27469913 [0,2,0,0,0,0|1,0,0]=3 5989 B13R1.147 C\C(=C/C(=O)O)c1cccc(Br)c1 Amb31103382 [0,2,0,0,0,0|0,0,0]=2 5990 B13R1.147 C\C(=C/C(=O)O)c1cccc(C)c1 Amb17233185 [0,2,0,0,0,0|0,0,0]=2 5991 B13R1.147 C\C(=C/C(=O)O)c1cccc(Cl)c1 Amb17236497 [0,2,0,0,0,0|0,0,0]=2 5992 B13R1.147 C\C(=C/C(=O)O)c1cccc(F)c1 Amb6749171 [0,2,0,0,0,0|0,0,0]=2 5993 B13R1.147 C\C(=C\C(=O)O)c1cccc(C)c1 Amb27414539 [0,2,0,0,0,0|0,0,0]=2 5994 B13R1.147 C\C(=C\C(=O)O)c1cncc(Br)c1 Amb35702325 [0,2,0,0,0,0|1,0,0]=3 5995 B13R1.147 C\C(N)=C\C(=O)c1cccc(Br)c1 Amb27652090 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.147 Cc1cccc(C(C)CC(=O)O)c1 Amb17233412 [0,2,0,0,0,0|0,0,2]=4 5997 B13R1.147 Cc1cccc(C(F)CC(=O)O)c1 Amb28140862 [0,2,0,0,0,0|0,0,2]=4 5998 B13R1.147 Cc1cccc(C(N)CC(=O)O)c1 Amb9725793 [0,2,0,0,0,0|0,0,2]=4 5999 B13R1.147 Cc1cccc(C(O)CC(=O)O)c1 Amb17233659 [0,2,0,0,0,0|0,0,2]=4 6000 B13R1.147 Cc1cccc(N(C)CC(=O)O)c1 Amb17335309 [0,2,0,0,0,0|1,0,1]=4 6001 B13R1.147 Cc1cccc(N(N)CC(=O)O)c1 Amb27235232 [0,2,0,0,0,0|1,0,1]=4 6002 B13R1.147 Cc1cccc([C@@H](N)CC(=O)O)c1 Amb18180922 [0,2,0,0,0,0|0,0,2]=4 6003 B13R1.147 Cc1cccc([C@@H](O)CC(=O)O)c1 Amb33203932 [0,2,0,0,0,0|0,0,2]=4 6004 B13R1.147 Cc1cccc([C@H](N)CC(=O)O)c1 Amb19888387 [0,2,0,0,0,0|0,0,2]=4 6005 B13R1.147 Cc1cccc([C@H](O)CC(=O)O)c1 Amb33203931 [0,2,0,0,0,0|0,0,2]=4 6006 B13R1.147 NC(=O)CC(=O)c1cccc(I)c1 Amb28048111 [0,2,0,0,0,0|1,0,1]=4 6007 B13R1.147 NC(=O)NC(=O)c1cccc(N)c1 Amb25899842 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.147 NC(=O)NC(=O)c1cccc(O)c1 Amb28316533 [0,2,0,0,0,0|2,0,0]=4 6009 B13R1.147 NC(CC(=O)O)c1cccc(Br)c1 Amb9703531 [0,2,0,0,0,0|0,0,2]=4 6010 B13R1.147 NC(CC(=O)O)c1cccc(Cl)c1 Amb9720570 [0,2,0,0,0,0|0,0,2]=4 6011 B13R1.147 NC(CC(=O)O)c1cccc(F)c1 Amb33527622 [0,2,0,0,0,0|0,0,2]=4 6012 B13R1.147 NC(CC(=O)O)c1cccc(F)c1 Amb9727347 [0,2,0,0,0,0|0,0,2]=4 6013 B13R1.147 NC(CC(=O)O)c1cccc(I)c1 Amb1048649 [0,2,0,0,0,0|0,0,2]=4 6014 B13R1.147 NC(CC(=O)O)c1cccc(I)c1 Amb32752832 [0,2,0,0,0,0|0,0,2]=4 6015 B13R1.147 NC(CC(=O)O)c1cccc(O)c1 Amb1058829 [0,2,0,0,0,0|0,0,2]=4 6016 B13R1.147 N[C@@H](CC(=O)O)c1cccc(Br)c1 Amb8631671 [0,2,0,0,0,0|0,0,2]=4 6017 B13R1.147 N[C@@H](CC(=O)O)c1cccc(Cl)c1 Amb18319937 [0,2,0,0,0,0|0,0,2]=4 6018 B13R1.147 N[C@@H](CC(=O)O)c1cccc(Cl)c1 Amb33803857 [0,2,0,0,0,0|0,0,2]=4 6019 B13R1.147 N[C@@H](CC(=O)O)c1cccc(F)c1 Amb19057058 [0,2,0,0,0,0|0,0,2]=4 6020 B13R1.147 N[C@@H](CC(=O)O)c1cccc(F)c1 Amb23401394 [0,2,0,0,0,0|0,0,2]=4 6021 B13R1.147 N[C@@H](CC(=O)O)c1cccc(I)c1 Amb27784254 [0,2,0,0,0,0|0,0,2]=4 6022 B13R1.147 N[C@@H](CC(=O)O)c1cccc(I)c1 Amb32660506 [0,2,0,0,0,0|0,0,2]=4 6023 B13R1.147 N[C@@H](CC(=O)O)c1cccc(O)c1 Amb19888391 [0,2,0,0,0,0|0,0,2]=4 6024 B13R1.147 N[C@@H](CC(=O)O)c1cccc(S)c1 Amb27413272 [0,2,0,0,0,0|0,0,2]=4 6025 B13R1.147 N[C@H](CC(=O)O)c1cccc(Br)c1 Amb19887637 [0,2,0,0,0,0|0,0,2]=4 6026 B13R1.147 N[C@H](CC(=O)O)c1cccc(Cl)c1 Amb19887655 [0,2,0,0,0,0|0,0,2]=4 6027 B13R1.147 N[C@H](CC(=O)O)c1cccc(Cl)c1 Amb33803306 [0,2,0,0,0,0|0,0,2]=4 6028 B13R1.147 N[C@H](CC(=O)O)c1cccc(F)c1 Amb19887666 [0,2,0,0,0,0|0,0,2]=4 6029 B13R1.147 N[C@H](CC(=O)O)c1cccc(I)c1 Amb25742482 [0,2,0,0,0,0|0,0,2]=4 6030 B13R1.147 N[C@H](CC(=O)O)c1cccc(I)c1 Amb33456952 [0,2,0,0,0,0|0,0,2]=4 6031 B13R1.147 N[C@H](CC(=O)O)c1cccc(O)c1 Amb19887673 [0,2,0,0,0,0|0,0,2]=4 6032 B13R1.147 Nc1cccc(C(N)CC(=O)O)c1 Amb25043228 [0,2,0,0,0,0|0,0,2]=4 6033 B13R1.147 Nc1cccc([C@@H](N)CC(=O)O)c1 Amb28316523 [0,2,0,0,0,0|0,0,2]=4 6034 B13R1.147 O=C(O)CC(=O)c1cccc(F)c1 Amb29845457 [0,2,0,0,0,0|0,0,1]=3 6035 B13R1.147 O=C(O)CC(F)c1cccc(Cl)c1 Amb27237786 [0,2,0,0,0,0|0,0,2]=4 6036 B13R1.147 O=C(O)CC(F)c1cccc(O)c1 Amb27864255 [0,2,0,0,0,0|0,0,2]=4 6037 B13R1.147 O=C(O)CC(O)c1cccc(Cl)c1 Amb17237173 [0,2,0,0,0,0|0,0,2]=4 6038 B13R1.147 O=C(O)CC(O)c1cccc(F)c1 Amb17234054 [0,2,0,0,0,0|0,0,2]=4 6039 B13R1.147 O=C(O)CC(O)c1cccc(O)c1 Amb18990574 [0,2,0,0,0,0|0,0,2]=4 6040 B13R1.147 O=C(O)C[C@@H](O)c1cccc(Br)c1 Amb33451581 [0,2,0,0,0,0|0,0,2]=4 6041 B13R1.147 O=C(O)C[C@@H](O)c1cccc(Cl)c1 Amb27827417 [0,2,0,0,0,0|0,0,2]=4 6042 B13R1.147 O=C(O)C[C@@H](O)c1cccc(F)c1 Amb28244763 [0,2,0,0,0,0|0,0,2]=4 6043 B13R1.147 O=C(O)C[C@@H](O)c1cccc(O)c1 Amb28458543 [0,2,0,0,0,0|0,0,2]=4 6044 B13R1.147 O=C(O)C[C@H](O)c1cccc(Br)c1 Amb33451564 [0,2,0,0,0,0|0,0,2]=4 6045 B13R1.147 O=C(O)C[C@H](O)c1cccc(Cl)c1 Amb24444374 [0,2,0,0,0,0|0,0,2]=4 6046 B13R1.147 O=C(O)C[C@H](O)c1cccc(F)c1 Amb33316046 [0,2,0,0,0,0|0,0,2]=4 6047 B13R1.147 O=C(O)C[C@H](O)c1cccc(O)c1 Amb26481349 [0,2,0,0,0,0|0,0,2]=4 6048 B13R1.147 O=C(O)\C=C(\Cl)c1cccc(F)c1 Amb27608928 [0,2,0,0,0,0|0,0,0]=2 6049 B13R1.201 C=C(NC(C)=O)c1ccccc1F Amb27614236 [0,2,0,0,0,0|2,0,0]=4 6050 B13R1.201 CC(=O)CC(=O)c1ccccc1Br Amb7766265 [0,2,0,0,0,0|1,0,1]=4 6051 B13R1.201 CC(=O)CC(=O)c1ccccc1C Amb7766350 [0,2,0,0,0,0|1,0,1]=4 6052 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl Amb7762485 [0,2,0,0,0,0|1,0,1]=4 6053 B13R1.201 CC(=O)CC(=O)c1ccccc1F Amb7762489 [0,2,0,0,0,0|1,0,1]=4 6054 B13R1.201 CC(=O)CC(=O)c1ccccc1I Amb27177275 [0,2,0,0,0,0|1,0,1]=4 6055 B13R1.201 CC(=O)CC(=O)c1ccccc1O Amb2720828 [0,2,0,0,0,0|1,0,1]=4 6056 B13R1.201 CC(=O)NC(=O)c1ccccc1O Amb1983211 [0,2,0,0,0,0|2,0,0]=4 6057 B13R1.201 CC(=O)\C=C(/C)N1C=CC=CC1=O Amb27948652 [0,2,0,0,0,0|2,0,0]=4 6058 B13R1.201 CC(=O)\C=C(\C)c1ccccc1Cl Amb28121630 [0,2,0,0,0,0|1,0,0]=3 6059 B13R1.201 CC(=O)\C=C(\C)c1ccccc1F Amb27659613 [0,2,0,0,0,0|1,0,0]=3 6060 B13R1.201 CC(C)=CC(=O)c1ccccc1Br Amb27618123 [0,2,0,0,0,0|2,0,0]=4 6061 B13R1.201 CC(CC(=O)O)c1ccccc1Br Amb19293241 [0,2,0,0,0,0|0,0,2]=4 6062 B13R1.201 CC(CC(=O)O)c1ccccc1Cl Amb17236833 [0,2,0,0,0,0|0,0,2]=4 6063 B13R1.201 CC(CC(=O)O)c1ccccc1F Amb6749215 [0,2,0,0,0,0|0,0,2]=4 6064 B13R1.201 CC(CC(=O)O)c1ccccc1I Amb16210922 [0,2,0,0,0,0|0,0,2]=4 6065 B13R1.201 CC(CC(=O)O)c1ccccc1N Amb27398428 [0,2,0,0,0,0|0,0,2]=4 6066 B13R1.201 CC(CC(=O)O)c1ccccc1O Amb25779942 [0,2,0,0,0,0|0,0,2]=4 6067 B13R1.201 CN(CC(=O)O)c1ccccc1Br Amb17349670 [0,2,0,0,0,0|1,0,1]=4 6068 B13R1.201 CN(CC(=O)O)c1ccccc1Cl Amb17337478 [0,2,0,0,0,0|1,0,1]=4 6069 B13R1.201 CN(CC(=O)O)c1ccccc1F Amb17335597 [0,2,0,0,0,0|1,0,1]=4 6070 B13R1.201 CN(CC(=O)O)c1ccccc1I Amb27828675 [0,2,0,0,0,0|1,0,1]=4 6071 B13R1.201 CN(CC(=O)O)c1ccccc1N Amb18297284 [0,2,0,0,0,0|1,0,1]=4 6072 B13R1.201 C\C(=C/C(=O)O)c1ccccc1Br Amb31103380 [0,2,0,0,0,0|0,0,0]=2 6073 B13R1.201 C\C(=C/C(=O)O)c1ccccc1C Amb4009783 [0,2,0,0,0,0|0,0,0]=2 6074 B13R1.201 C\C(=C/C(=O)O)c1ccccc1Cl Amb24669047 [0,2,0,0,0,0|0,0,0]=2 6075 B13R1.201 C\C(=C/C(=O)O)c1ccccc1F Amb10610216 [0,2,0,0,0,0|0,0,0]=2 6076 B13R1.201 C\C(=C\C(=O)O)c1ccccc1C Amb27759236 [0,2,0,0,0,0|0,0,0]=2 6077 B13R1.201 C\C(=C\C(=O)O)c1ccccc1Cl Amb28071795 [0,2,0,0,0,0|0,0,0]=2 6078 B13R1.201 C\C(=C\C(C)O)c1ccccc1C Amb27772444 [0,2,0,0,0,0|1,0,1]=4 6079 B13R1.201 C\C(=C\C(C)O)c1ccccc1F Amb28293411 [0,2,0,0,0,0|1,0,1]=4 6080 B13R1.201 C\C(=C\C(N)=O)c1ccccc1Br Amb27586427 [0,2,0,0,0,0|1,0,0]=3 6081 B13R1.201 C\C(=C\C(N)=O)c1ccccc1F Amb28283682 [0,2,0,0,0,0|1,0,0]=3 6082 B13R1.201 C\C(N)=C\C(=O)c1ccccc1Cl Amb27415535 [0,2,0,0,0,0|2,0,0]=4 6083 B13R1.201 C\C(O)=C\C(=O)c1ccccc1O Amb26437654 [0,2,0,0,0,0|1,0,0]=3 6084 B13R1.201 Cc1ccccc1C(C)CC(=O)O Amb33528476 [0,2,0,0,0,0|0,0,2]=4 6085 B13R1.201 Cc1ccccc1C(N)CC(=O)O Amb32665984 [0,2,0,0,0,0|0,0,2]=4 6086 B13R1.201 Cc1ccccc1C(N)CC(=O)O Amb9725299 [0,2,0,0,0,0|0,0,2]=4 6087 B13R1.201 Cc1ccccc1C(O)CC(=O)O Amb17233658 [0,2,0,0,0,0|0,0,2]=4 6088 B13R1.201 Cc1ccccc1N(C)CC(=O)O Amb17335308 [0,2,0,0,0,0|1,0,1]=4 6089 B13R1.201 Cc1ccccc1[C@@H](C)CC(=O)O Amb27863498 [0,2,0,0,0,0|0,0,2]=4 6090 B13R1.201 Cc1ccccc1[C@@H](N)CC(=O)O Amb18180923 [0,2,0,0,0,0|0,0,2]=4 6091 B13R1.201 Cc1ccccc1[C@@H](N)CC(=O)O Amb19349097 [0,2,0,0,0,0|0,0,2]=4 6092 B13R1.201 Cc1ccccc1[C@@H](O)CC(=O)O Amb33361019 [0,2,0,0,0,0|0,0,2]=4 6093 B13R1.201 Cc1ccccc1[C@H](C)CC(=O)O Amb27179250 [0,2,0,0,0,0|0,0,2]=4 6094 B13R1.201 Cc1ccccc1[C@H](N)CC(=O)O Amb22225289 [0,2,0,0,0,0|0,0,2]=4 6095 B13R1.201 Cc1ccccc1\C(Cl)=C\C(=O)O Amb28325126 [0,2,0,0,0,0|0,0,0]=2 6096 B13R1.201 N=C(CC(N)=O)c1ccccc1O Amb27984659 [0,2,0,0,0,0|1,0,1]=4 6097 B13R1.201 NC(=O)NC(=O)c1ccccc1O Amb18128561 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.201 NC(CC(=O)O)c1ccccc1Br Amb17659134 [0,2,0,0,0,0|0,0,2]=4 6099 B13R1.201 NC(CC(=O)O)c1ccccc1Cl Amb1104745 [0,2,0,0,0,0|0,0,2]=4 6100 B13R1.201 NC(CC(=O)O)c1ccccc1Cl Amb32753355 [0,2,0,0,0,0|0,0,2]=4 6101 B13R1.201 NC(CC(=O)O)c1ccccc1F Amb9727846 [0,2,0,0,0,0|0,0,2]=4 6102 B13R1.201 NC(CC(=O)O)c1ccccc1O Amb2435865 [0,2,0,0,0,0|0,0,2]=4 6103 B13R1.201 N[C@@H](CC(=O)O)c1ccccc1Br Amb20240882 [0,2,0,0,0,0|0,0,2]=4 6104 B13R1.201 N[C@@H](CC(=O)O)c1ccccc1Cl Amb18319938 [0,2,0,0,0,0|0,0,2]=4 6105 B13R1.201 N[C@@H](CC(=O)O)c1ccccc1Cl Amb32674905 [0,2,0,0,0,0|0,0,2]=4 6106 B13R1.201 N[C@@H](CC(=O)O)c1ccccc1F Amb18322470 [0,2,0,0,0,0|0,0,2]=4 6107 B13R1.201 N[C@H](CC(=O)O)c1ccccc1Br Amb25102891 [0,2,0,0,0,0|0,0,2]=4 6108 B13R1.201 N[C@H](CC(=O)O)c1ccccc1Cl Amb19887656 [0,2,0,0,0,0|0,0,2]=4 6109 B13R1.201 N[C@H](CC(=O)O)c1ccccc1F Amb20240876 [0,2,0,0,0,0|0,0,2]=4 6110 B13R1.201 N[C@H](CC(=O)O)c1ccccc1I Amb27778468 [0,2,0,0,0,0|0,0,2]=4 6111 B13R1.201 N[C@H](CC(=O)O)c1ccccc1O Amb20240877 [0,2,0,0,0,0|0,0,2]=4 6112 B13R1.201 Nc1ccccc1C(F)CC(=O)O Amb27813438 [0,2,0,0,0,0|0,0,2]=4 6113 B13R1.201 Nc1ccccc1C(N)CC(=O)O Amb24747456 [0,2,0,0,0,0|0,0,2]=4 6114 B13R1.201 Nc1ccccc1[C@@H](N)CC(=O)O Amb27655487 [0,2,0,0,0,0|0,0,2]=4 6115 B13R1.201 O=C(O)CC(F)c1ccccc1Cl Amb28239522 [0,2,0,0,0,0|0,0,2]=4 6116 B13R1.201 O=C(O)CC(O)c1ccccc1Br Amb18298166 [0,2,0,0,0,0|0,0,2]=4 6117 B13R1.201 O=C(O)CC(O)c1ccccc1Cl Amb17237172 [0,2,0,0,0,0|0,0,2]=4 6118 B13R1.201 O=C(O)CC(O)c1ccccc1F Amb17234053 [0,2,0,0,0,0|0,0,2]=4 6119 B13R1.201 O=C(O)CC(O)c1ccccc1O Amb33196481 [0,2,0,0,0,0|0,0,2]=4 6120 B13R1.201 O=C(O)CS(=O)c1ccccc1O Amb27423460 [0,2,0,0,0,0|1,0,1]=4 6121 B13R1.201 O=C(O)C[C@@H](O)c1ccccc1Br Amb24642857 [0,2,0,0,0,0|0,0,2]=4 6122 B13R1.201 O=C(O)C[C@@H](O)c1ccccc1Cl Amb24383133 [0,2,0,0,0,0|0,0,2]=4 6123 B13R1.201 O=C(O)C[C@@H](O)c1ccccc1F Amb27179256 [0,2,0,0,0,0|0,0,2]=4 6124 B13R1.201 O=C(O)C[C@@H](O)c1ccccc1O Amb33196479 [0,2,0,0,0,0|0,0,2]=4 6125 B13R1.201 O=C(O)C[C@H](O)c1ccccc1Br Amb25121791 [0,2,0,0,0,0|0,0,2]=4 6126 B13R1.201 O=C(O)C[C@H](O)c1ccccc1Cl Amb25208995 [0,2,0,0,0,0|0,0,2]=4 6127 B13R1.201 O=C(O)C[C@H](O)c1ccccc1F Amb33361508 [0,2,0,0,0,0|0,0,2]=4 6128 B13R1.201 O=C(O)C[C@H](O)c1ccccc1O Amb33196480 [0,2,0,0,0,0|0,0,2]=4 6129 B13R1.201 O=C(O)\C=C(\Cl)c1ccccc1Cl Amb27608930 [0,2,0,0,0,0|0,0,0]=2 6130 B13R1.347 CC(C)(CC(=O)O)c1ccccc1 Amb2796286 [0,2,0,0,0,0|0,0,2]=4 6131 B13R1.347 CC(F)(CC(=O)O)c1ccccc1 Amb27209896 [0,2,0,0,0,0|0,0,2]=4 6132 B13R1.347 CC(N)(CC(=O)O)c1ccccc1 Amb17470595 [0,2,0,0,0,0|0,0,2]=4 6133 B13R1.347 CC(O)(CC(=O)O)c1ccccc1 Amb17138952 [0,2,0,0,0,0|0,0,2]=4 6134 B13R1.347 C[C@](N)(CC(=O)O)c1ccccc1 Amb27471858 [0,2,0,0,0,0|0,0,2]=4 6135 B13R1.347 C[Si](C)(CC(=O)O)c1ccccc1 Amb19928695 [0,2,0,0,0,0|0,1,1]=4 6136 B13R1.347 O=C(O)CC(F)(F)c1ccccc1 Amb24491494 [0,2,0,0,0,0|0,0,2]=4 6137 B13R1.347 O=C(O)CP(=O)(O)c1ccccc1 Amb4441561 [0,2,0,0,0,0|1,0,1]=4 6138 B13R1.347 O=C(O)CP(=O)(S)c1ccccc1 Amb27401202 [0,2,0,0,0,0|1,0,1]=4 6139 B13R1.347 O=C(O)CS(=O)(=O)c1ccccc1 Amb6357777 [0,2,0,0,0,0|1,0,1]=4 6140 B13R1.352 CS(=O)(=O)\C=C(/I)c1ccccc1 Amb2612832 [0,2,0,0,0,0|1,0,1]=4 6141 B13R1.352 C\C(=C\S(N)(=O)=O)c1ccccc1 Amb27256939 [0,2,0,0,0,0|1,0,1]=4 6142 B13R1.352 O=C(CS(=O)(=O)O)c1ccccc1 Amb4382641 [0,2,0,0,0,0|1,0,1]=4 6143 B13R1.352 O=P(O)(O)\C=C(/Cl)c1ccccc1 Amb4318538 [0,2,0,0,0,0|1,0,0]=3 6144 B13R1.352 O=P(O)(O)\C=C(\Cl)c1ccccc1 Amb3318189 [0,2,0,0,0,0|1,0,0]=3 6145 B13R1.352 O=S(=O)(Cl)\C=C(/Cl)c1ccccc1 Amb18560514 [0,2,0,0,0,0|1,0,1]=4 6146 B13R1.352 O=S(=O)(Cl)\C=C(/F)c1ccccc1 Amb32653269 [0,2,0,0,0,0|1,0,1]=4 6147 B13R1.352 O=S(=O)(Cl)\C=C(\F)c1ccccc1 Amb28124011 [0,2,0,0,0,0|1,0,1]=4 6148 B13R1.352 O=S(=O)(F)\C=C(/F)c1ccccc1 Amb32717973 [0,2,0,0,0,0|1,0,1]=4 6149 B13R1.713 C=CC(CC(=O)O)c1ccccc1 Amb18647968 [0,2,0,0,0,0|0,0,2]=4 6150 B13R1.713 CC(=O)N\C(=N\Cl)c1ccccc1 Amb27210856 [0,2,0,0,0,0|2,0,0]=4 6151 B13R1.713 CC(=O)O\C(=C/Cl)c1ccccc1 Amb28061096 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.713 CCC(CC(=O)O)c1ccccc1 Amb2611660 [0,2,0,0,0,0|0,0,2]=4 6153 B13R1.713 CCN(CC(=O)O)c1ccccc1 Amb33551497 [0,2,0,0,0,0|1,0,1]=4 6154 B13R1.713 CCN(CC(=O)O)c1ccccc1 Amb5775359 [0,2,0,0,0,0|1,0,1]=4 6155 B13R1.713 CC\C(=C/C(=O)O)c1ccccc1 Amb6749178 [0,2,0,0,0,0|0,0,0]=2 6156 B13R1.713 CC\C(=C/C(=O)O)c1ccccn1 Amb31101953 [0,2,0,0,0,0|1,0,0]=3 6157 B13R1.713 CC\C(=C/C(=O)O)c1cccnc1 Amb31101954 [0,2,0,0,0,0|1,0,0]=3 6158 B13R1.713 CC\C(=C/C(=O)O)c1ccncc1 Amb31101955 [0,2,0,0,0,0|1,0,0]=3 6159 B13R1.713 CC\C(=C/C(N)=O)c1ccccc1 Amb27180289 [0,2,0,0,0,0|1,0,0]=3 6160 B13R1.713 CC\C(=C\C(=O)O)c1ccccc1 Amb26618103 [0,2,0,0,0,0|0,0,0]=2 6161 B13R1.713 CC\C(=C\C(C)O)c1ccccc1 Amb27443422 [0,2,0,0,0,0|1,0,1]=4 6162 B13R1.713 CC\C(=C\C(N)=O)c1ccccc1 Amb28126401 [0,2,0,0,0,0|1,0,0]=3 6163 B13R1.713 CC\C(=C\[C@@H](C)O)c1ccccc1 Amb27757403 [0,2,0,0,0,0|1,0,1]=4 6164 B13R1.713 CNC(CC(=O)O)c1ccccc1 Amb2698079 [0,2,0,0,0,0|0,0,2]=4 6165 B13R1.713 CN\C(=C\C(C)=O)c1ccccc1 Amb27608602 [0,2,0,0,0,0|1,0,0]=3 6166 B13R1.713 CO\C(=C/C(C)=O)c1ccccc1 Amb17594477 [0,2,0,0,0,0|1,0,0]=3 6167 B13R1.713 CS(=O)\C=C(\CO)c1ccccc1 Amb28321425 [0,2,0,0,0,0|2,0,0]=4 6168 B13R1.713 C\C=C(/OC(N)=O)c1ccccc1 Amb27796314 [0,2,0,0,0,0|2,0,0]=4 6169 B13R1.713 N#CC(CC(=O)O)c1ccccc1 Amb16191991 [0,2,0,0,0,0|0,0,2]=4 6170 B13R1.713 N#CN(CC(=O)O)c1ccccc1 Amb29870385 [0,2,0,0,0,0|1,0,1]=4 6171 B13R1.713 NCC(CC(=O)O)c1ccccc1 Amb1033044 [0,2,0,0,0,0|0,0,2]=4 6172 B13R1.713 NCC(CC(=O)O)c1ccccc1 Amb4233664 [0,2,0,0,0,0|0,0,2]=4 6173 B13R1.713 NC[C@@H](CC(=O)O)c1ccccc1 Amb20241745 [0,2,0,0,0,0|0,0,2]=4 6174 B13R1.713 NC[C@@H](CC(=O)O)c1ccccc1 Amb22747178 [0,2,0,0,0,0|0,0,2]=4 6175 B13R1.713 O=C(O)C\C(=C\F)c1ccccc1 Amb25322142 [0,2,0,0,0,0|0,0,1]=3 6176 B13R1.713 O=CN(CC(=O)O)c1ccccc1 Amb2613671 [0,2,0,0,0,0|1,0,1]=4 6177 B13R1.713 O=C\C(=C/C(=O)O)c1ccccc1 Amb27179165 [0,2,0,0,0,0|0,0,0]=2 6178 B13R1.713 O=NN(CC(=O)O)c1ccccc1 Amb535027 [0,2,0,0,0,0|1,0,1]=4 6179 B13R1.713 [NH3+]CC(CC(=O)O)c1ccccc1 Amb5722309 [0,2,0,0,0,0|0,0,2]=4 6180 B13R1.90 C#Cc1ccccc1CCC(=O)O Amb24634740 [0,2,0,0,0,0|0,0,2]=4 6181 B13R1.90 C#Cc1ccccc1NCC(=O)O Amb32990335 [0,2,0,0,0,0|1,0,1]=4 6182 B13R1.90 C#Cc1ccccc1OCC(=O)O Amb25857380 [0,2,0,0,0,0|1,0,1]=4 6183 B13R1.90 C#Cc1ccccc1\C=C\C(=O)O Amb33448966 [0,2,0,0,0,0|0,0,0]=2 6184 B13R1.90 C#Cc1ccccc1\C=C\C(C)=O Amb24690827 [0,2,0,0,0,0|1,0,0]=3 6185 B13R1.90 C#Cc1ccccc1\C=C\C(N)=O Amb27445425 [0,2,0,0,0,0|1,0,0]=3 6186 B13R1.90 C#Cc1ccccc1\C=C\[N+](=O)[O-] Amb33374281 [0,2,0,0,0,0|1,0,1]=4 6187 B13R1.90 C=C(C)\C=C\c1ccccc1NC Amb27467777 [0,2,0,0,0,0|2,0,0]=4 6188 B13R1.90 C=Cc1ccccc1OCC(=O)O Amb17594532 [0,2,0,0,0,0|1,0,1]=4 6189 B13R1.90 C=Cc1ccccc1\C=C\C(=O)O Amb27179308 [0,2,0,0,0,0|0,0,0]=2 6190 B13R1.90 CC(=O)\C=C\c1ccccc1C#N Amb33358578 [0,2,0,0,0,0|1,0,0]=3 6191 B13R1.90 CC(=O)\C=C\c1ccccc1CO Amb25179632 [0,2,0,0,0,0|1,0,0]=3 6192 B13R1.90 CCc1ccccc1C#CC(=O)O Amb27863150 [0,2,0,0,0,0|0,0,2]=4 6193 B13R1.90 CCc1ccccc1CCC(=O)O Amb3934522 [0,2,0,0,0,0|0,0,2]=4 6194 B13R1.90 CCc1ccccc1NCC(=O)O Amb4026745 [0,2,0,0,0,0|1,0,1]=4 6195 B13R1.90 CCc1ccccc1OCC(=O)O Amb1102823 [0,2,0,0,0,0|1,0,1]=4 6196 B13R1.90 CCc1ccccc1\C=C\C(=O)O Amb2235537 [0,2,0,0,0,0|0,0,0]=2 6197 B13R1.90 CCc1ccccc1\C=C\C(C)=O Amb33362221 [0,2,0,0,0,0|1,0,0]=3 6198 B13R1.90 CCc1ccccc1\C=C\[N+](=O)[O-] Amb24394644 [0,2,0,0,0,0|1,0,1]=4 6199 B13R1.90 CNc1ccccc1CCC(=O)O Amb27409114 [0,2,0,0,0,0|0,0,2]=4 6200 B13R1.90 CNc1ccccc1OCC(=O)O Amb27256911 [0,2,0,0,0,0|1,0,1]=4 6201 B13R1.90 CNc1ncccc1\C=C\C(=O)O Amb24607738 [0,2,0,0,0,0|1,0,0]=3 6202 B13R1.90 COc1ccccc1C#CC(=O)O Amb17138770 [0,2,0,0,0,0|0,0,2]=4 6203 B13R1.90 COc1ccccc1CCC(=O)O Amb1209239 [0,2,0,0,0,0|0,0,2]=4 6204 B13R1.90 COc1ccccc1NCC(=O)O Amb840516 [0,2,0,0,0,0|1,0,1]=4 6205 B13R1.90 COc1ccccc1OCC(=O)O Amb6335348 [0,2,0,0,0,0|1,0,1]=4 6206 B13R1.90 COc1ccccc1SCC(=O)O Amb5761739 [0,2,0,0,0,0|1,0,1]=4 6207 B13R1.90 COc1ccccc1\C=C/C(N)=O Amb27243884 [0,2,0,0,0,0|1,0,0]=3 6208 B13R1.90 COc1ccccc1\C=C\B(O)O Amb27608751 [0,2,0,0,0,0|1,0,1]=4 6209 B13R1.90 COc1ccccc1\C=C\C(=O)Cl Amb535054 [0,2,0,0,0,0|1,0,0]=3 6210 B13R1.90 COc1ccccc1\C=C\C(=O)O Amb6608742 [0,2,0,0,0,0|0,0,0]=2 6211 B13R1.90 COc1ccccc1\C=C\C(C)=O Amb2682793 [0,2,0,0,0,0|1,0,0]=3 6212 B13R1.90 COc1ccccc1\C=C\C(C)O Amb27604726 [0,2,0,0,0,0|1,0,1]=4 6213 B13R1.90 COc1ccccc1\C=C\C(N)=O Amb3762938 [0,2,0,0,0,0|1,0,0]=3 6214 B13R1.90 COc1ccccc1\C=C\[N+](=O)[O-] Amb6355827 [0,2,0,0,0,0|1,0,1]=4 6215 B13R1.90 COc1cccnc1\C=C\C(=O)O Amb33475375 [0,2,0,0,0,0|1,0,0]=3 6216 B13R1.90 COc1cccnc1\C=C\C(C)=O Amb33272153 [0,2,0,0,0,0|2,0,0]=4 6217 B13R1.90 COc1ncccc1\C=C\C(=O)O Amb4560954 [0,2,0,0,0,0|1,0,0]=3 6218 B13R1.90 COc1ncccc1\C=C\C(C)=O Amb33378550 [0,2,0,0,0,0|2,0,0]=4 6219 B13R1.90 COc1ncccc1\C=C\C(N)=O Amb25111515 [0,2,0,0,0,0|2,0,0]=4 6220 B13R1.90 COc1nccnc1\C=C\C(=O)O Amb28204506 [0,2,0,0,0,0|2,0,0]=4 6221 B13R1.90 CSc1ccccc1CCC(=O)O Amb18130316 [0,2,0,0,0,0|0,0,2]=4 6222 B13R1.90 CSc1ccccc1OCC(=O)O Amb6752027 [0,2,0,0,0,0|1,0,1]=4 6223 B13R1.90 CSc1ccccc1\C=C\C(=O)O Amb33079789 [0,2,0,0,0,0|0,0,0]=2 6224 B13R1.90 CSc1ccccc1\C=C\C(C)=O Amb32876727 [0,2,0,0,0,0|1,0,0]=3 6225 B13R1.90 CSc1ccccc1\C=C\C(N)=S Amb27248406 [0,2,0,0,0,0|1,1,0]=4 6226 B13R1.90 CSc1ccccc1\C=C\[N+](=O)[O-] Amb24713731 [0,2,0,0,0,0|1,0,1]=4 6227 B13R1.90 N#Cc1ccccc1CCC(=O)O Amb2371761 [0,2,0,0,0,0|0,0,2]=4 6228 B13R1.90 N#Cc1ccccc1OCC(=O)O Amb1102815 [0,2,0,0,0,0|1,0,1]=4 6229 B13R1.90 N#Cc1ccccc1SCC(=O)O Amb33528062 [0,2,0,0,0,0|1,0,1]=4 6230 B13R1.90 N#Cc1ccccc1\C=C/C(=O)O Amb27812405 [0,2,0,0,0,0|0,0,0]=2 6231 B13R1.90 N#Cc1ccccc1\C=C\C(=O)O Amb1676841 [0,2,0,0,0,0|0,0,0]=2 6232 B13R1.90 N#Cc1ccccc1\C=C\[N+](=O)[O-] Amb33172290 [0,2,0,0,0,0|1,0,1]=4 6233 B13R1.90 N#[N+]c1ccccc1CCC(=O)O Amb27623865 [0,2,0,0,0,0|0,0,2]=4 6234 B13R1.90 NCc1ccccc1CCC(=O)O Amb33330920 [0,2,0,0,0,0|0,0,2]=4 6235 B13R1.90 NCc1ccccc1CCC(=O)O Amb33482842 [0,2,0,0,0,0|0,0,2]=4 6236 B13R1.90 NCc1ccccc1\C=C\C(=O)O Amb5722165 [0,2,0,0,0,0|0,0,0]=2 6237 B13R1.90 O=Cc1ccccc1C#CC(=O)O Amb33076826 [0,2,0,0,0,0|0,0,2]=4 6238 B13R1.90 O=Cc1ccccc1CCC(=O)O Amb24090149 [0,2,0,0,0,0|0,0,2]=4 6239 B13R1.90 O=Cc1ccccc1OCC(=O)O Amb2721056 [0,2,0,0,0,0|1,0,1]=4 6240 B13R1.90 O=Cc1ccccc1\C=C\C(=O)O Amb8383888 [0,2,0,0,0,0|0,0,0]=2 6241 B13R1.90 [C-]#[N+]c1ccccc1\C=C\C(C)=O Amb25341927 [0,2,0,0,0,0|1,0,0]=3 6242 B13R1.150 CC(=O)\C=C\c1cccc(Br)c1C Amb33477279 [0,2,0,0,0,0|1,0,0]=3 6243 B13R1.150 CC(=O)\C=C\c1cccc(Br)c1F Amb33387346 [0,2,0,0,0,0|1,0,0]=3 6244 B13R1.150 CC(=O)\C=C\c1cccc(Br)c1O Amb33332588 [0,2,0,0,0,0|1,0,0]=3 6245 B13R1.150 CC(=O)\C=C\c1cccc(C)c1C Amb18065531 [0,2,0,0,0,0|1,0,0]=3 6246 B13R1.150 CC(=O)\C=C\c1cccc(C)c1F Amb33326123 [0,2,0,0,0,0|1,0,0]=3 6247 B13R1.150 CC(=O)\C=C\c1cccc(C)c1O Amb24456564 [0,2,0,0,0,0|1,0,0]=3 6248 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1C Amb18565619 [0,2,0,0,0,0|1,0,0]=3 6249 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1Cl Amb32750265 [0,2,0,0,0,0|1,0,0]=3 6250 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1F Amb33220737 [0,2,0,0,0,0|1,0,0]=3 6251 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1O Amb33262123 [0,2,0,0,0,0|1,0,0]=3 6252 B13R1.150 CC(=O)\C=C\c1cccc(F)c1Br Amb33386502 [0,2,0,0,0,0|1,0,0]=3 6253 B13R1.150 CC(=O)\C=C\c1cccc(F)c1C Amb33310505 [0,2,0,0,0,0|1,0,0]=3 6254 B13R1.150 CC(=O)\C=C\c1cccc(F)c1F Amb27170993 [0,2,0,0,0,0|1,0,0]=3 6255 B13R1.150 CC(=O)\C=C\c1cccc(F)c1O Amb31293621 [0,2,0,0,0,0|1,0,0]=3 6256 B13R1.150 CC(=O)\C=C\c1cccc(O)c1Br Amb33386877 [0,2,0,0,0,0|1,0,0]=3 6257 B13R1.150 CC(=O)\C=C\c1cccc(O)c1O Amb26563212 [0,2,0,0,0,0|1,0,0]=3 6258 B13R1.150 CC(O)\C=C\c1cccc(Cl)c1Cl Amb27460960 [0,2,0,0,0,0|1,0,1]=4 6259 B13R1.150 CC(O)\C=C\c1cccc(Cl)c1F Amb27794244 [0,2,0,0,0,0|1,0,1]=4 6260 B13R1.150 CC(O)\C=C\c1cccc(F)c1F Amb27399973 [0,2,0,0,0,0|1,0,1]=4 6261 B13R1.150 CC(O)\C=C\c1cccc(O)c1Cl Amb27239610 [0,2,0,0,0,0|1,0,1]=4 6262 B13R1.150 CN1N=CC=C(\C=C\C(=O)O)C1=O Amb25232846 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.150 Cc1c(Br)cccc1CCC(=O)O Amb25154911 [0,2,0,0,0,0|0,0,2]=4 6264 B13R1.150 Cc1c(Br)cccc1OCC(=O)O Amb33477990 [0,2,0,0,0,0|1,0,1]=4 6265 B13R1.150 Cc1c(Br)cccc1\C=C\C(=O)O Amb33242070 [0,2,0,0,0,0|0,0,0]=2 6266 B13R1.150 Cc1c(Br)cccc1\C=C\[N+](=O)[O-] Amb33476937 [0,2,0,0,0,0|1,0,1]=4 6267 B13R1.150 Cc1c(Cl)cccc1C#CC(=O)O Amb23538424 [0,2,0,0,0,0|0,0,2]=4 6268 B13R1.150 Cc1c(Cl)cccc1CCC(=O)O Amb3934505 [0,2,0,0,0,0|0,0,2]=4 6269 B13R1.150 Cc1c(Cl)cccc1NCC(=O)O Amb4598591 [0,2,0,0,0,0|1,0,1]=4 6270 B13R1.150 Cc1c(Cl)cccc1OCC(=O)O Amb19374486 [0,2,0,0,0,0|1,0,1]=4 6271 B13R1.150 Cc1c(Cl)cccc1\C=C\C(=O)O Amb17204359 [0,2,0,0,0,0|0,0,0]=2 6272 B13R1.150 Cc1c(F)cccc1C#CC(=O)O Amb27856205 [0,2,0,0,0,0|0,0,2]=4 6273 B13R1.150 Cc1c(F)cccc1CCC(=O)O Amb22047488 [0,2,0,0,0,0|0,0,2]=4 6274 B13R1.150 Cc1c(F)cccc1NCC(=O)O Amb18984574 [0,2,0,0,0,0|1,0,1]=4 6275 B13R1.150 Cc1c(F)cccc1OCC(=O)O Amb33428045 [0,2,0,0,0,0|1,0,1]=4 6276 B13R1.150 Cc1c(F)cccc1\C=C\C(=O)Cl Amb27424114 [0,2,0,0,0,0|1,0,0]=3 6277 B13R1.150 Cc1c(F)cccc1\C=C\C(=O)O Amb22043642 [0,2,0,0,0,0|0,0,0]=2 6278 B13R1.150 Cc1c(F)cccc1\C=C\[N+](=O)[O-] Amb26477481 [0,2,0,0,0,0|1,0,1]=4 6279 B13R1.150 Cc1c(I)cccc1CCC(=O)O Amb28436666 [0,2,0,0,0,0|0,0,2]=4 6280 B13R1.150 Cc1c(N)cccc1CCC(=O)O Amb27613718 [0,2,0,0,0,0|0,0,2]=4 6281 B13R1.150 Cc1c(N)cccc1\C=C\C(=O)O Amb25238447 [0,2,0,0,0,0|0,0,0]=2 6282 B13R1.150 Cc1c(O)cccc1CCC(=O)O Amb28139556 [0,2,0,0,0,0|0,0,2]=4 6283 B13R1.150 Cc1c(O)cccc1\C=C\C(=O)O Amb26891006 [0,2,0,0,0,0|0,0,0]=2 6284 B13R1.150 Cc1c(S)cccc1CCC(=O)O Amb27965628 [0,2,0,0,0,0|0,0,2]=4 6285 B13R1.150 Cc1cccc(C#CC(=O)O)c1C Amb28241869 [0,2,0,0,0,0|0,0,2]=4 6286 B13R1.150 Cc1cccc(CCC(=O)O)c1Br Amb22473857 [0,2,0,0,0,0|0,0,2]=4 6287 B13R1.150 Cc1cccc(CCC(=O)O)c1C Amb3934495 [0,2,0,0,0,0|0,0,2]=4 6288 B13R1.150 Cc1cccc(CCC(=O)O)c1Cl Amb22473861 [0,2,0,0,0,0|0,0,2]=4 6289 B13R1.150 Cc1cccc(CCC(=O)O)c1F Amb25189828 [0,2,0,0,0,0|0,0,2]=4 6290 B13R1.150 Cc1cccc(CCC(=O)O)c1N Amb27401967 [0,2,0,0,0,0|0,0,2]=4 6291 B13R1.150 Cc1cccc(CCC(=O)O)c1S Amb27208774 [0,2,0,0,0,0|0,0,2]=4 6292 B13R1.150 Cc1cccc(NCC(=O)O)c1C Amb840530 [0,2,0,0,0,0|1,0,1]=4 6293 B13R1.150 Cc1cccc(NCC(=O)O)c1Cl Amb27401878 [0,2,0,0,0,0|1,0,1]=4 6294 B13R1.150 Cc1cccc(OCC(=O)O)c1C Amb6336535 [0,2,0,0,0,0|1,0,1]=4 6295 B13R1.150 Cc1cccc(OCC(=O)O)c1Cl Amb28046271 [0,2,0,0,0,0|1,0,1]=4 6296 B13R1.150 Cc1cccc(OCC(=O)O)c1F Amb27190685 [0,2,0,0,0,0|1,0,1]=4 6297 B13R1.150 Cc1cccc(OCC(=O)O)c1I Amb33512387 [0,2,0,0,0,0|1,0,1]=4 6298 B13R1.150 Cc1cccc(\C=C\B(O)O)c1C Amb27608820 [0,2,0,0,0,0|1,0,1]=4 6299 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1Br Amb25938121 [0,2,0,0,0,0|0,0,0]=2 6300 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1C Amb2235538 [0,2,0,0,0,0|0,0,0]=2 6301 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1Cl Amb33052086 [0,2,0,0,0,0|0,0,0]=2 6302 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1F Amb22738948 [0,2,0,0,0,0|0,0,0]=2 6303 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1N Amb26391035 [0,2,0,0,0,0|0,0,0]=2 6304 B13R1.150 Cc1cccc(\C=C\C(N)=O)c1C Amb24493915 [0,2,0,0,0,0|1,0,0]=3 6305 B13R1.150 Cc1cccc(\C=C\[N+](=O)[O-])c1C Amb25036476 [0,2,0,0,0,0|1,0,1]=4 6306 B13R1.150 Cc1cccc(\C=C\[N+](=O)[O-])c1F Amb26449560 [0,2,0,0,0,0|1,0,1]=4 6307 B13R1.150 Cc1cccc(\C=C\[N+](=O)[O-])c1O Amb25963784 [0,2,0,0,0,0|1,0,1]=4 6308 B13R1.150 Cc1ccnc(\C=C\C(=O)O)c1C Amb33470127 [0,2,0,0,0,0|1,0,0]=3 6309 B13R1.150 Cc1cncc(\C=C\C(=O)O)c1C Amb32423925 [0,2,0,0,0,0|1,0,0]=3 6310 B13R1.150 NC(=O)\C=C/c1cccc(F)c1O Amb27251937 [0,2,0,0,0,0|1,0,0]=3 6311 B13R1.150 NC(=O)\C=C\c1cccc(Br)c1O Amb26595126 [0,2,0,0,0,0|1,0,0]=3 6312 B13R1.150 NC(=O)\C=C\c1cccc(Cl)c1Cl Amb8997699 [0,2,0,0,0,0|1,0,0]=3 6313 B13R1.150 NC(=O)\C=C\c1cccc(F)c1F Amb27880872 [0,2,0,0,0,0|1,0,0]=3 6314 B13R1.150 NC(=O)\C=C\c1cccc(O)c1Cl Amb28077083 [0,2,0,0,0,0|1,0,0]=3 6315 B13R1.150 NC(=O)\C=C\c1cncc(I)c1N Amb26316881 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.150 Nc1c(Cl)cccc1NCC(=O)O Amb27772598 [0,2,0,0,0,0|1,0,1]=4 6317 B13R1.150 Nc1c(F)cccc1CCC(=O)O Amb27613840 [0,2,0,0,0,0|0,0,2]=4 6318 B13R1.150 Nc1c(F)cccc1\C=C\C(=O)O Amb24406617 [0,2,0,0,0,0|0,0,0]=2 6319 B13R1.150 Nc1c(I)cccc1CCC(=O)O Amb27670140 [0,2,0,0,0,0|0,0,2]=4 6320 B13R1.150 Nc1c(O)cccc1CCC(=O)O Amb27462620 [0,2,0,0,0,0|0,0,2]=4 6321 B13R1.150 Nc1c(S)cccc1CCC(=O)O Amb27615900 [0,2,0,0,0,0|0,0,2]=4 6322 B13R1.150 Nc1cccc(CCC(=O)O)c1I Amb27634247 [0,2,0,0,0,0|0,0,2]=4 6323 B13R1.150 Nc1cccc(CCC(=O)O)c1N Amb27962544 [0,2,0,0,0,0|0,0,2]=4 6324 B13R1.150 Nc1cccc(CCC(=O)O)c1O Amb27215523 [0,2,0,0,0,0|0,0,2]=4 6325 B13R1.150 Nc1cccc(CCC(=O)O)c1S Amb27616051 [0,2,0,0,0,0|0,0,2]=4 6326 B13R1.150 Nc1cccc(\C=C\C(=O)O)c1Cl Amb25233220 [0,2,0,0,0,0|0,0,0]=2 6327 B13R1.150 O=C(Cl)\C=C\c1cccc(Cl)c1F Amb26858910 [0,2,0,0,0,0|1,0,0]=3 6328 B13R1.150 O=C(O)C#Cc1cccc(Br)c1F Amb24372415 [0,2,0,0,0,0|0,0,2]=4 6329 B13R1.150 O=C(O)C#Cc1cccc(Cl)c1Cl Amb24367031 [0,2,0,0,0,0|0,0,2]=4 6330 B13R1.150 O=C(O)C#Cc1cccc(Cl)c1F Amb27618077 [0,2,0,0,0,0|0,0,2]=4 6331 B13R1.150 O=C(O)C#Cc1cccc(F)c1Cl Amb27162002 [0,2,0,0,0,0|0,0,2]=4 6332 B13R1.150 O=C(O)CCc1cccc(Br)c1Br Amb25155278 [0,2,0,0,0,0|0,0,2]=4 6333 B13R1.150 O=C(O)CCc1cccc(Br)c1Cl Amb27623137 [0,2,0,0,0,0|0,0,2]=4 6334 B13R1.150 O=C(O)CCc1cccc(Br)c1F Amb22234752 [0,2,0,0,0,0|0,0,2]=4 6335 B13R1.150 O=C(O)CCc1cccc(Br)c1I Amb27638667 [0,2,0,0,0,0|0,0,2]=4 6336 B13R1.150 O=C(O)CCc1cccc(Br)c1O Amb26057117 [0,2,0,0,0,0|0,0,2]=4 6337 B13R1.150 O=C(O)CCc1cccc(Br)c1S Amb27613911 [0,2,0,0,0,0|0,0,2]=4 6338 B13R1.150 O=C(O)CCc1cccc(Cl)c1Br Amb24728330 [0,2,0,0,0,0|0,0,2]=4 6339 B13R1.150 O=C(O)CCc1cccc(Cl)c1Cl Amb3934493 [0,2,0,0,0,0|0,0,2]=4 6340 B13R1.150 O=C(O)CCc1cccc(Cl)c1F Amb22738163 [0,2,0,0,0,0|0,0,2]=4 6341 B13R1.150 O=C(O)CCc1cccc(Cl)c1O Amb27180736 [0,2,0,0,0,0|0,0,2]=4 6342 B13R1.150 O=C(O)CCc1cccc(F)c1Br Amb24411438 [0,2,0,0,0,0|0,0,2]=4 6343 B13R1.150 O=C(O)CCc1cccc(F)c1Cl Amb25798129 [0,2,0,0,0,0|0,0,2]=4 6344 B13R1.150 O=C(O)CCc1cccc(F)c1F Amb9524119 [0,2,0,0,0,0|0,0,2]=4 6345 B13R1.150 O=C(O)CCc1cccc(F)c1I Amb28135360 [0,2,0,0,0,0|0,0,2]=4 6346 B13R1.150 O=C(O)CCc1cccc(F)c1O Amb28122828 [0,2,0,0,0,0|0,0,2]=4 6347 B13R1.150 O=C(O)CCc1cccc(I)c1Br Amb24637733 [0,2,0,0,0,0|0,0,2]=4 6348 B13R1.150 O=C(O)CCc1cccc(I)c1Cl Amb26994786 [0,2,0,0,0,0|0,0,2]=4 6349 B13R1.150 O=C(O)CCc1cccc(I)c1F Amb27402599 [0,2,0,0,0,0|0,0,2]=4 6350 B13R1.150 O=C(O)CCc1cccc(I)c1I Amb28435494 [0,2,0,0,0,0|0,0,2]=4 6351 B13R1.150 O=C(O)CCc1cccc(I)c1O Amb28195060 [0,2,0,0,0,0|0,0,2]=4 6352 B13R1.150 O=C(O)CCc1cccc(O)c1Br Amb27223884 [0,2,0,0,0,0|0,0,2]=4 6353 B13R1.150 O=C(O)CCc1cccc(O)c1Cl Amb26954554 [0,2,0,0,0,0|0,0,2]=4 6354 B13R1.150 O=C(O)CCc1cccc(O)c1F Amb25719519 [0,2,0,0,0,0|0,0,2]=4 6355 B13R1.150 O=C(O)CCc1cccc(O)c1I Amb27463257 [0,2,0,0,0,0|0,0,2]=4 6356 B13R1.150 O=C(O)CCc1cccc(O)c1O Amb25869857 [0,2,0,0,0,0|0,0,2]=4 6357 B13R1.150 O=C(O)CCc1cccc(S)c1I Amb28056998 [0,2,0,0,0,0|0,0,2]=4 6358 B13R1.150 O=C(O)CNc1cccc(Br)c1Cl Amb29865267 [0,2,0,0,0,0|1,0,1]=4 6359 B13R1.150 O=C(O)CNc1cccc(Br)c1F Amb35592888 [0,2,0,0,0,0|1,0,1]=4 6360 B13R1.150 O=C(O)CNc1cccc(Cl)c1Cl Amb4598576 [0,2,0,0,0,0|1,0,1]=4 6361 B13R1.150 O=C(O)CNc1cccc(F)c1Cl Amb29864348 [0,2,0,0,0,0|1,0,1]=4 6362 B13R1.150 O=C(O)COc1cccc(Br)c1F Amb33388489 [0,2,0,0,0,0|1,0,1]=4 6363 B13R1.150 O=C(O)COc1cccc(Br)c1O Amb33332945 [0,2,0,0,0,0|1,0,1]=4 6364 B13R1.150 O=C(O)COc1cccc(Cl)c1Br Amb28366567 [0,2,0,0,0,0|1,0,1]=4 6365 B13R1.150 O=C(O)COc1cccc(Cl)c1Cl Amb2720364 [0,2,0,0,0,0|1,0,1]=4 6366 B13R1.150 O=C(O)COc1cccc(Cl)c1F Amb25771116 [0,2,0,0,0,0|1,0,1]=4 6367 B13R1.150 O=C(O)COc1cccc(Cl)c1O Amb33057249 [0,2,0,0,0,0|1,0,1]=4 6368 B13R1.150 O=C(O)COc1cccc(F)c1Br Amb32946364 [0,2,0,0,0,0|1,0,1]=4 6369 B13R1.150 O=C(O)COc1cccc(F)c1F Amb4574108 [0,2,0,0,0,0|1,0,1]=4 6370 B13R1.150 O=C(O)COc1cccc(F)c1O Amb24511370 [0,2,0,0,0,0|1,0,1]=4 6371 B13R1.150 O=C(O)COc1cccc(O)c1Br Amb33386874 [0,2,0,0,0,0|1,0,1]=4 6372 B13R1.150 O=C(O)COc1cccc(O)c1O Amb23483107 [0,2,0,0,0,0|1,0,1]=4 6373 B13R1.150 O=C(O)CSc1cccc(Cl)c1Cl Amb2730932 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.150 O=C(O)\C=C/c1cccc(F)c1F Amb27459952 [0,2,0,0,0,0|0,0,0]=2 6375 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1Cl Amb24603464 [0,2,0,0,0,0|0,0,0]=2 6376 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1F Amb33240463 [0,2,0,0,0,0|0,0,0]=2 6377 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1I Amb26420859 [0,2,0,0,0,0|0,0,0]=2 6378 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1O Amb27201419 [0,2,0,0,0,0|0,0,0]=2 6379 B13R1.150 O=C(O)\C=C\c1cccc(Cl)c1Cl Amb2720061 [0,2,0,0,0,0|0,0,0]=2 6380 B13R1.150 O=C(O)\C=C\c1cccc(Cl)c1F Amb33220582 [0,2,0,0,0,0|0,0,0]=2 6381 B13R1.150 O=C(O)\C=C\c1cccc(F)c1Br Amb33244338 [0,2,0,0,0,0|0,0,0]=2 6382 B13R1.150 O=C(O)\C=C\c1cccc(F)c1Cl Amb33262262 [0,2,0,0,0,0|0,0,0]=2 6383 B13R1.150 O=C(O)\C=C\c1cccc(F)c1F Amb33079177 [0,2,0,0,0,0|0,0,0]=2 6384 B13R1.150 O=C(O)\C=C\c1cccc(F)c1I Amb25938096 [0,2,0,0,0,0|0,0,0]=2 6385 B13R1.150 O=C(O)\C=C\c1cccc(F)c1O Amb32953397 [0,2,0,0,0,0|0,0,0]=2 6386 B13R1.150 O=C(O)\C=C\c1cccc(I)c1Br Amb24077202 [0,2,0,0,0,0|0,0,0]=2 6387 B13R1.150 O=C(O)\C=C\c1cccc(I)c1F Amb26022081 [0,2,0,0,0,0|0,0,0]=2 6388 B13R1.150 O=C(O)\C=C\c1cccc(O)c1Br Amb33451153 [0,2,0,0,0,0|0,0,0]=2 6389 B13R1.150 O=C(O)\C=C\c1cccc(O)c1I Amb26604820 [0,2,0,0,0,0|0,0,0]=2 6390 B13R1.150 O=C(O)\C=C\c1cccc(O)c1O Amb6298171 [0,2,0,0,0,0|0,0,0]=2 6391 B13R1.150 O=C(O)\C=C\c1ccnc(I)c1F Amb25270421 [0,2,0,0,0,0|1,0,0]=3 6392 B13R1.150 O=C(O)\C=C\c1cncc(F)c1I Amb24656464 [0,2,0,0,0,0|1,0,0]=3 6393 B13R1.150 O=C([O-])\C=C\c1cccc(F)c1F Amb33513185 [0,2,0,0,0,0|0,0,1]=3 6394 B13R1.150 O=[N+]([O-])\C=C\c1cccc(Br)c1F Amb22039489 [0,2,0,0,0,0|1,0,1]=4 6395 B13R1.150 O=[N+]([O-])\C=C\c1cccc(Br)c1O Amb33332557 [0,2,0,0,0,0|1,0,1]=4 6396 B13R1.150 O=[N+]([O-])\C=C\c1cccc(Cl)c1Cl Amb4022684 [0,2,0,0,0,0|1,0,1]=4 6397 B13R1.150 O=[N+]([O-])\C=C\c1cccc(Cl)c1F Amb24450463 [0,2,0,0,0,0|1,0,1]=4 6398 B13R1.150 O=[N+]([O-])\C=C\c1cccc(Cl)c1O Amb33056899 [0,2,0,0,0,0|1,0,1]=4 6399 B13R1.150 O=[N+]([O-])\C=C\c1cccc(F)c1Br Amb24584689 [0,2,0,0,0,0|1,0,1]=4 6400 B13R1.150 O=[N+]([O-])\C=C\c1cccc(F)c1F Amb6296330 [0,2,0,0,0,0|1,0,1]=4 6401 B13R1.150 O=[N+]([O-])\C=C\c1cccc(F)c1O Amb33475341 [0,2,0,0,0,0|1,0,1]=4 6402 B13R1.150 O=[N+]([O-])\C=C\c1cccc(O)c1Br Amb33388439 [0,2,0,0,0,0|1,0,1]=4 6403 B13R1.150 O=[N+]([O-])\C=C\c1cccc(O)c1Cl Amb26962302 [0,2,0,0,0,0|1,0,1]=4 6404 B13R1.150 O=[N+]([O-])\C=C\c1cccc(O)c1O Amb26027307 [0,2,0,0,0,0|1,0,1]=4 6405 B13R1.150 OB(O)\C=C\c1cccc(Br)c1F Amb27593991 [0,2,0,0,0,0|1,0,1]=4 6406 B13R1.150 OB(O)\C=C\c1cccc(Cl)c1Cl Amb27585427 [0,2,0,0,0,0|1,0,1]=4 6407 B13R1.157 CC(C)(O)\C=C/c1ccccc1O Amb25319000 [0,2,0,0,0,0|1,0,1]=4 6408 B13R1.157 CC(C)(O)\C=C\c1ccccc1O Amb25134134 [0,2,0,0,0,0|1,0,1]=4 6409 B13R1.157 CS(=O)(=O)\C=C\c1ccccc1F Amb23596091 [0,2,0,0,0,0|1,0,1]=4 6410 B13R1.157 NS(=O)(=O)\C=C\c1ccccc1Br Amb9393839 [0,2,0,0,0,0|1,0,1]=4 6411 B13R1.157 NS(=O)(=O)\C=C\c1ccccc1Cl Amb32665525 [0,2,0,0,0,0|1,0,1]=4 6412 B13R1.157 NS(=O)(=O)\C=C\c1ccccc1F Amb9393841 [0,2,0,0,0,0|1,0,1]=4 6413 B13R1.157 Nc1ccccc1\C=C\S(N)(=O)=O Amb26569397 [0,2,0,0,0,0|1,0,1]=4 6414 B13R1.157 O=S(=O)(Cl)\C=C\c1ccccc1Br Amb33531552 [0,2,0,0,0,0|1,0,1]=4 6415 B13R1.157 O=S(=O)(Cl)\C=C\c1ccccc1Cl Amb9393812 [0,2,0,0,0,0|1,0,1]=4 6416 B13R1.157 O=S(=O)(Cl)\C=C\c1ccccc1F Amb9393807 [0,2,0,0,0,0|1,0,1]=4 6417 B13R1.157 O=S(=O)(F)\C=C\c1ccccc1Br Amb32716822 [0,2,0,0,0,0|1,0,1]=4 6418 B13R1.157 O=S(=O)(F)\C=C\c1ccccc1Cl Amb32716818 [0,2,0,0,0,0|1,0,1]=4 6419 B13R1.157 O=S(=O)(F)\C=C\c1ccccc1F Amb32717779 [0,2,0,0,0,0|1,0,1]=4 6420 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1C Amb33386623 [0,2,0,0,0,0|1,0,0]=3 6421 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1Cl Amb33430218 [0,2,0,0,0,0|1,0,0]=3 6422 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1F Amb33451080 [0,2,0,0,0,0|1,0,0]=3 6423 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1O Amb2561927 [0,2,0,0,0,0|1,0,0]=3 6424 B13R1.893 CC(=O)\C=C\c1cc(Br)cnc1Cl Amb33007788 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.893 CC(=O)\C=C\c1cc(Br)cnc1F Amb33478530 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1Br Amb33477884 [0,2,0,0,0,0|1,0,0]=3 6427 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1C Amb18065529 [0,2,0,0,0,0|1,0,0]=3 6428 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1Cl Amb33413697 [0,2,0,0,0,0|1,0,0]=3 6429 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1F Amb33429744 [0,2,0,0,0,0|1,0,0]=3 6430 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1O Amb27861235 [0,2,0,0,0,0|1,0,0]=3 6431 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1Br Amb33451524 [0,2,0,0,0,0|1,0,0]=3 6432 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1C Amb18066348 [0,2,0,0,0,0|1,0,0]=3 6433 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1Cl Amb18066852 [0,2,0,0,0,0|1,0,0]=3 6434 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1F Amb27198639 [0,2,0,0,0,0|1,0,0]=3 6435 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1O Amb32750503 [0,2,0,0,0,0|1,0,0]=3 6436 B13R1.893 CC(=O)\C=C\c1cc(Cl)cnc1F Amb33257902 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.893 CC(=O)\C=C\c1cc(Cl)ncc1Br Amb33478199 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1Br Amb33242914 [0,2,0,0,0,0|1,0,0]=3 6439 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1C Amb33080199 [0,2,0,0,0,0|1,0,0]=3 6440 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1Cl Amb33058826 [0,2,0,0,0,0|1,0,0]=3 6441 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1F Amb33474598 [0,2,0,0,0,0|1,0,0]=3 6442 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1O Amb33448873 [0,2,0,0,0,0|1,0,0]=3 6443 B13R1.893 CC(=O)\C=C\c1cc(N)ccc1C Amb27406922 [0,2,0,0,0,0|1,0,0]=3 6444 B13R1.893 CC(=O)\C=C\c1cc(N)ccc1Cl Amb25854989 [0,2,0,0,0,0|1,0,0]=3 6445 B13R1.893 CC(=O)\C=C\c1cc(O)ccc1Br Amb33387321 [0,2,0,0,0,0|1,0,0]=3 6446 B13R1.893 CC(=O)\C=C\c1cc(O)ccc1O Amb32953374 [0,2,0,0,0,0|1,0,0]=3 6447 B13R1.893 CC(O)\C=C\c1cc(Br)ccc1Cl Amb28064406 [0,2,0,0,0,0|1,0,1]=4 6448 B13R1.893 CC(O)\C=C\c1cc(Br)ccc1F Amb27210642 [0,2,0,0,0,0|1,0,1]=4 6449 B13R1.893 CC(O)\C=C\c1cc(Cl)ccc1Br Amb27170270 [0,2,0,0,0,0|1,0,1]=4 6450 B13R1.893 CC(O)\C=C\c1cc(F)ccc1F Amb27397120 [0,2,0,0,0,0|1,0,1]=4 6451 B13R1.893 Cc1ccc(Br)c(CCC(=O)O)c1 Amb27798383 [0,2,0,0,0,0|0,0,2]=4 6452 B13R1.893 Cc1ccc(Br)c(OCC(=O)O)c1 Amb32946386 [0,2,0,0,0,0|1,0,1]=4 6453 B13R1.893 Cc1ccc(Br)c(\C=C\C(=O)O)c1 Amb33241649 [0,2,0,0,0,0|0,0,0]=2 6454 B13R1.893 Cc1ccc(Br)c(\C=C\[N+](=O)[O-])c1 Amb33477546 [0,2,0,0,0,0|1,0,1]=4 6455 B13R1.893 Cc1ccc(Br)cc1C#CC(=O)O Amb26628844 [0,2,0,0,0,0|0,0,2]=4 6456 B13R1.893 Cc1ccc(Br)cc1CCC(=O)O Amb27606318 [0,2,0,0,0,0|0,0,2]=4 6457 B13R1.893 Cc1ccc(Br)cc1NCC(=O)O Amb9672511 [0,2,0,0,0,0|1,0,1]=4 6458 B13R1.893 Cc1ccc(Br)cc1OCC(=O)O Amb24116402 [0,2,0,0,0,0|1,0,1]=4 6459 B13R1.893 Cc1ccc(Br)cc1\C=C\C(=O)O Amb33242854 [0,2,0,0,0,0|0,0,0]=2 6460 B13R1.893 Cc1ccc(Br)cc1\C=C\[N+](=O)[O-] Amb33450359 [0,2,0,0,0,0|1,0,1]=4 6461 B13R1.893 Cc1ccc(C)c(C#CC(=O)O)c1 Amb17138718 [0,2,0,0,0,0|0,0,2]=4 6462 B13R1.893 Cc1ccc(C)c(CCC(=O)O)c1 Amb3934520 [0,2,0,0,0,0|0,0,2]=4 6463 B13R1.893 Cc1ccc(C)c(NCC(=O)O)c1 Amb840532 [0,2,0,0,0,0|1,0,1]=4 6464 B13R1.893 Cc1ccc(C)c(OCC(=O)O)c1 Amb6336520 [0,2,0,0,0,0|1,0,1]=4 6465 B13R1.893 Cc1ccc(C)c(SCC(=O)O)c1 Amb1102778 [0,2,0,0,0,0|1,0,1]=4 6466 B13R1.893 Cc1ccc(C)c(\C=C\C(=O)O)c1 Amb32954527 [0,2,0,0,0,0|0,0,0]=2 6467 B13R1.893 Cc1ccc(C)c(\C=C\C(C)O)c1 Amb28132540 [0,2,0,0,0,0|1,0,1]=4 6468 B13R1.893 Cc1ccc(C)c(\C=C\[N+](=O)[O-])c1 Amb25223720 [0,2,0,0,0,0|1,0,1]=4 6469 B13R1.893 Cc1ccc(Cl)c(CCC(=O)O)c1 Amb17198870 [0,2,0,0,0,0|0,0,2]=4 6470 B13R1.893 Cc1ccc(Cl)c(OCC(=O)O)c1 Amb6365578 [0,2,0,0,0,0|1,0,1]=4 6471 B13R1.893 Cc1ccc(Cl)c(\C=C\C(=O)O)c1 Amb33262269 [0,2,0,0,0,0|0,0,0]=2 6472 B13R1.893 Cc1ccc(Cl)c(\C=C\[N+](=O)[O-])c1 Amb33260502 [0,2,0,0,0,0|1,0,1]=4 6473 B13R1.893 Cc1ccc(Cl)cc1C#CC(=O)O Amb27878268 [0,2,0,0,0,0|0,0,2]=4 6474 B13R1.893 Cc1ccc(Cl)cc1CCC(=O)O Amb3934518 [0,2,0,0,0,0|0,0,2]=4 6475 B13R1.893 Cc1ccc(Cl)cc1NCC(=O)O Amb840540 [0,2,0,0,0,0|1,0,1]=4 6476 B13R1.893 Cc1ccc(Cl)cc1OCC(=O)O Amb1950656 [0,2,0,0,0,0|1,0,1]=4 6477 B13R1.893 Cc1ccc(Cl)cc1SCC(=O)O Amb28255776 [0,2,0,0,0,0|1,0,1]=4 6478 B13R1.893 Cc1ccc(Cl)cc1\C=C\C(=O)O Amb17204360 [0,2,0,0,0,0|0,0,0]=2 6479 B13R1.893 Cc1ccc(F)c(C#CC(=O)O)c1 Amb27828454 [0,2,0,0,0,0|0,0,2]=4 6480 B13R1.893 Cc1ccc(F)c(CCC(=O)O)c1 Amb22043668 [0,2,0,0,0,0|0,0,2]=4 6481 B13R1.893 Cc1ccc(F)c(NCC(=O)O)c1 Amb7781089 [0,2,0,0,0,0|1,0,1]=4 6482 B13R1.893 Cc1ccc(F)c(OCC(=O)O)c1 Amb20669484 [0,2,0,0,0,0|1,0,1]=4 6483 B13R1.893 Cc1ccc(F)c(\C=C\B(O)O)c1 Amb27630566 [0,2,0,0,0,0|1,0,1]=4 6484 B13R1.893 Cc1ccc(F)c(\C=C\C(=O)O)c1 Amb18954881 [0,2,0,0,0,0|0,0,0]=2 6485 B13R1.893 Cc1ccc(F)c(\C=C\[N+](=O)[O-])c1 Amb25160848 [0,2,0,0,0,0|1,0,1]=4 6486 B13R1.893 Cc1ccc(F)cc1CCC(=O)O Amb3934496 [0,2,0,0,0,0|0,0,2]=4 6487 B13R1.893 Cc1ccc(F)cc1OCC(=O)O Amb27784827 [0,2,0,0,0,0|1,0,1]=4 6488 B13R1.893 Cc1ccc(F)cc1\C=C/C(N)=O Amb27170472 [0,2,0,0,0,0|1,0,0]=3 6489 B13R1.893 Cc1ccc(F)cc1\C=C\C(=O)O Amb18283057 [0,2,0,0,0,0|0,0,0]=2 6490 B13R1.893 Cc1ccc(F)cc1\C=C\[N+](=O)[O-] Amb26350193 [0,2,0,0,0,0|1,0,1]=4 6491 B13R1.893 Cc1ccc(I)c(CCC(=O)O)c1 Amb24756572 [0,2,0,0,0,0|0,0,2]=4 6492 B13R1.893 Cc1ccc(I)c(\C=C\C(=O)O)c1 Amb28077222 [0,2,0,0,0,0|0,0,0]=2 6493 B13R1.893 Cc1ccc(I)cc1NCC(=O)O Amb27644286 [0,2,0,0,0,0|1,0,1]=4 6494 B13R1.893 Cc1ccc(N)cc1C#CC(=O)O Amb32989946 [0,2,0,0,0,0|0,0,2]=4 6495 B13R1.893 Cc1ccc(N)cc1CCC(=O)O Amb24473177 [0,2,0,0,0,0|0,0,2]=4 6496 B13R1.893 Cc1ccc(N)cc1NCC(=O)O Amb18299625 [0,2,0,0,0,0|1,0,1]=4 6497 B13R1.893 Cc1ccc(N)cc1\C=C\C(=O)O Amb24711877 [0,2,0,0,0,0|0,0,0]=2 6498 B13R1.893 Cc1ccc(O)c(C#CC(=O)O)c1 Amb32990023 [0,2,0,0,0,0|0,0,2]=4 6499 B13R1.893 Cc1ccc(O)c(CCC(=O)O)c1 Amb18553089 [0,2,0,0,0,0|0,0,2]=4 6500 B13R1.893 Cc1ccc(O)c(NCC(=O)O)c1 Amb8471668 [0,2,0,0,0,0|1,0,1]=4 6501 B13R1.893 Cc1ccc(O)c(OCC(=O)O)c1 Amb33267915 [0,2,0,0,0,0|1,0,1]=4 6502 B13R1.893 Cc1ccc(O)c(\C=C\C(=O)O)c1 Amb33449499 [0,2,0,0,0,0|0,0,0]=2 6503 B13R1.893 Cc1ccc(O)c(\C=C\[N+](=O)[O-])c1 Amb33359500 [0,2,0,0,0,0|1,0,1]=4 6504 B13R1.893 Cc1ccc(O)cc1CCC(=O)O Amb25353110 [0,2,0,0,0,0|0,0,2]=4 6505 B13R1.893 Cc1ccc(S)c(\C=C\C(=O)O)c1 Amb18130086 [0,2,0,0,0,0|0,0,0]=2 6506 B13R1.893 Cc1ccc(S)cc1CCC(=O)O Amb27199973 [0,2,0,0,0,0|0,0,2]=4 6507 B13R1.893 NC(=O)\C=C\c1cc(Br)ccc1Br Amb25707427 [0,2,0,0,0,0|1,0,0]=3 6508 B13R1.893 NC(=O)\C=C\c1cc(Br)ccc1F Amb8997700 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.893 NC(=O)\C=C\c1cc(Cl)ccc1Br Amb25764575 [0,2,0,0,0,0|1,0,0]=3 6510 B13R1.893 NC(=O)\C=C\c1cc(F)ccc1Br Amb27751210 [0,2,0,0,0,0|1,0,0]=3 6511 B13R1.893 NC(=O)\C=C\c1cc(O)ccc1Br Amb27224049 [0,2,0,0,0,0|1,0,0]=3 6512 B13R1.893 Nc1ccc(Br)c(C#CC(=O)O)c1 Amb32990017 [0,2,0,0,0,0|0,0,2]=4 6513 B13R1.893 Nc1ccc(Br)c(OCC(=O)O)c1 Amb27610305 [0,2,0,0,0,0|1,0,1]=4 6514 B13R1.893 Nc1ccc(Br)c(\C=C\C(=O)O)c1 Amb25961816 [0,2,0,0,0,0|0,0,0]=2 6515 B13R1.893 Nc1ccc(Br)cc1SCC(=O)O Amb27416064 [0,2,0,0,0,0|1,0,1]=4 6516 B13R1.893 Nc1ccc(Br)cc1\C=C\[N+](=O)[O-] Amb26881419 [0,2,0,0,0,0|1,0,1]=4 6517 B13R1.893 Nc1ccc(Cl)c(CCC(=O)O)c1 Amb25801956 [0,2,0,0,0,0|0,0,2]=4 6518 B13R1.893 Nc1ccc(Cl)c(\C=C\C(=O)O)c1 Amb26390972 [0,2,0,0,0,0|0,0,0]=2 6519 B13R1.893 Nc1ccc(Cl)cc1C#CC(=O)O Amb32989964 [0,2,0,0,0,0|0,0,2]=4 6520 B13R1.893 Nc1ccc(Cl)cc1SCC(=O)O Amb10817978 [0,2,0,0,0,0|1,0,1]=4 6521 B13R1.893 Nc1ccc(Cl)cc1\C=C\[N+](=O)[O-] Amb27233879 [0,2,0,0,0,0|1,0,1]=4 6522 B13R1.893 Nc1ccc(F)cc1C#CC(=O)O Amb32989984 [0,2,0,0,0,0|0,0,2]=4 6523 B13R1.893 Nc1ccc(F)cc1OCC(=O)O Amb18290780 [0,2,0,0,0,0|1,0,1]=4 6524 B13R1.893 Nc1ccc(F)cc1SCC(=O)O Amb28397600 [0,2,0,0,0,0|1,0,1]=4 6525 B13R1.893 Nc1ccc(I)c(\C=C\C(=O)O)c1 Amb27180893 [0,2,0,0,0,0|0,0,0]=2 6526 B13R1.893 Nc1ccc(I)cc1OCC(=O)O Amb28369725 [0,2,0,0,0,0|1,0,1]=4 6527 B13R1.893 Nc1ccc(N)c(CCC(=O)O)c1 Amb27462504 [0,2,0,0,0,0|0,0,2]=4 6528 B13R1.893 Nc1ccc(O)cc1\C=C\C(=O)O Amb24443081 [0,2,0,0,0,0|0,0,0]=2 6529 B13R1.893 Nc1ncc(Br)cc1\C=C\C(=O)O Amb24061495 [0,2,0,0,0,0|1,0,0]=3 6530 B13R1.893 O=C(Cl)\C=C\c1cc(F)ccc1Br Amb26441330 [0,2,0,0,0,0|1,0,0]=3 6531 B13R1.893 O=C(Cl)\C=C\c1cc(F)ccc1F Amb25290510 [0,2,0,0,0,0|1,0,0]=3 6532 B13R1.893 O=C(O)C#Cc1cc(Br)ccc1Br Amb27592609 [0,2,0,0,0,0|0,0,2]=4 6533 B13R1.893 O=C(O)C#Cc1cc(Br)ccc1Cl Amb27187309 [0,2,0,0,0,0|0,0,2]=4 6534 B13R1.893 O=C(O)C#Cc1cc(Br)ccc1F Amb24555218 [0,2,0,0,0,0|0,0,2]=4 6535 B13R1.893 O=C(O)C#Cc1cc(Cl)ccc1Br Amb27436972 [0,2,0,0,0,0|0,0,2]=4 6536 B13R1.893 O=C(O)C#Cc1cc(Cl)ccc1Cl Amb25095610 [0,2,0,0,0,0|0,0,2]=4 6537 B13R1.893 O=C(O)C#Cc1cc(Cl)ccc1F Amb27656196 [0,2,0,0,0,0|0,0,2]=4 6538 B13R1.893 O=C(O)C#Cc1cc(F)ccc1Cl Amb27800560 [0,2,0,0,0,0|0,0,2]=4 6539 B13R1.893 O=C(O)C#Cc1cc(F)ccc1F Amb25732086 [0,2,0,0,0,0|0,0,2]=4 6540 B13R1.893 O=C(O)CCc1cc(Br)ccc1Br Amb17198912 [0,2,0,0,0,0|0,0,2]=4 6541 B13R1.893 O=C(O)CCc1cc(Br)ccc1Cl Amb25047402 [0,2,0,0,0,0|0,0,2]=4 6542 B13R1.893 O=C(O)CCc1cc(Br)ccc1F Amb9384331 [0,2,0,0,0,0|0,0,2]=4 6543 B13R1.893 O=C(O)CCc1cc(Br)ccc1I Amb27967800 [0,2,0,0,0,0|0,0,2]=4 6544 B13R1.893 O=C(O)CCc1cc(Br)ccc1O Amb5763456 [0,2,0,0,0,0|0,0,2]=4 6545 B13R1.893 O=C(O)CCc1cc(Cl)ccc1Br Amb20622630 [0,2,0,0,0,0|0,0,2]=4 6546 B13R1.893 O=C(O)CCc1cc(Cl)ccc1Cl Amb3934498 [0,2,0,0,0,0|0,0,2]=4 6547 B13R1.893 O=C(O)CCc1cc(Cl)ccc1F Amb18864703 [0,2,0,0,0,0|0,0,2]=4 6548 B13R1.893 O=C(O)CCc1cc(Cl)ccc1I Amb24427684 [0,2,0,0,0,0|0,0,2]=4 6549 B13R1.893 O=C(O)CCc1cc(Cl)ccc1O Amb5761883 [0,2,0,0,0,0|0,0,2]=4 6550 B13R1.893 O=C(O)CCc1cc(F)ccc1Br Amb9384325 [0,2,0,0,0,0|0,0,2]=4 6551 B13R1.893 O=C(O)CCc1cc(F)ccc1Cl Amb18176913 [0,2,0,0,0,0|0,0,2]=4 6552 B13R1.893 O=C(O)CCc1cc(F)ccc1F Amb3934514 [0,2,0,0,0,0|0,0,2]=4 6553 B13R1.893 O=C(O)CCc1cc(F)ccc1I Amb27986059 [0,2,0,0,0,0|0,0,2]=4 6554 B13R1.893 O=C(O)CCc1cc(F)ccc1O Amb18057884 [0,2,0,0,0,0|0,0,2]=4 6555 B13R1.893 O=C(O)CCc1cc(I)ccc1Br Amb28383384 [0,2,0,0,0,0|0,0,2]=4 6556 B13R1.893 O=C(O)CCc1cc(I)ccc1F Amb27393145 [0,2,0,0,0,0|0,0,2]=4 6557 B13R1.893 O=C(O)CCc1cc(O)ccc1Br Amb27771793 [0,2,0,0,0,0|0,0,2]=4 6558 B13R1.893 O=C(O)CCc1cc(O)ccc1Cl Amb26057254 [0,2,0,0,0,0|0,0,2]=4 6559 B13R1.893 O=C(O)CCc1cc(O)ccc1F Amb27243923 [0,2,0,0,0,0|0,0,2]=4 6560 B13R1.893 O=C(O)CCc1cc(O)ccc1I Amb25288986 [0,2,0,0,0,0|0,0,2]=4 6561 B13R1.893 O=C(O)CCc1cc(O)ccc1O Amb26875425 [0,2,0,0,0,0|0,0,2]=4 6562 B13R1.893 O=C(O)CCc1cc(S)ccc1Br Amb27613910 [0,2,0,0,0,0|0,0,2]=4 6563 B13R1.893 O=C(O)CCc1cc(S)ccc1F Amb27423507 [0,2,0,0,0,0|0,0,2]=4 6564 B13R1.893 O=C(O)CCc1cc(S)ccc1I Amb27798724 [0,2,0,0,0,0|0,0,2]=4 6565 B13R1.893 O=C(O)CCc1cc(S)ccc1S Amb27625267 [0,2,0,0,0,0|0,0,2]=4 6566 B13R1.893 O=C(O)CNc1cc(Br)ccc1Cl Amb27869142 [0,2,0,0,0,0|1,0,1]=4 6567 B13R1.893 O=C(O)CNc1cc(Cl)ccc1Cl Amb4598562 [0,2,0,0,0,0|1,0,1]=4 6568 B13R1.893 O=C(O)CNc1cc(Cl)ccc1I Amb35706238 [0,2,0,0,0,0|1,0,1]=4 6569 B13R1.893 O=C(O)CNc1cc(F)ccc1Br Amb28041920 [0,2,0,0,0,0|1,0,1]=4 6570 B13R1.893 O=C(O)CNc1cc(F)ccc1F Amb7764660 [0,2,0,0,0,0|1,0,1]=4 6571 B13R1.893 O=C(O)CNc1cc(I)ccc1Cl Amb27245548 [0,2,0,0,0,0|1,0,1]=4 6572 B13R1.893 O=C(O)COc1cc(Br)ccc1Cl Amb27627220 [0,2,0,0,0,0|1,0,1]=4 6573 B13R1.893 O=C(O)COc1cc(Br)ccc1F Amb24750055 [0,2,0,0,0,0|1,0,1]=4 6574 B13R1.893 O=C(O)COc1cc(Br)ccc1O Amb33333606 [0,2,0,0,0,0|1,0,1]=4 6575 B13R1.893 O=C(O)COc1cc(Cl)ccc1Br Amb24517228 [0,2,0,0,0,0|1,0,1]=4 6576 B13R1.893 O=C(O)COc1cc(Cl)ccc1Cl Amb6377748 [0,2,0,0,0,0|1,0,1]=4 6577 B13R1.893 O=C(O)COc1cc(Cl)ccc1F Amb25135179 [0,2,0,0,0,0|1,0,1]=4 6578 B13R1.893 O=C(O)COc1cc(Cl)ccc1O Amb10607 [0,2,0,0,0,0|1,0,1]=4 6579 B13R1.893 O=C(O)COc1cc(F)ccc1Br Amb4574110 [0,2,0,0,0,0|1,0,1]=4 6580 B13R1.893 O=C(O)COc1cc(F)ccc1Cl Amb4574103 [0,2,0,0,0,0|1,0,1]=4 6581 B13R1.893 O=C(O)COc1cc(F)ccc1F Amb4574101 [0,2,0,0,0,0|1,0,1]=4 6582 B13R1.893 O=C(O)COc1cc(F)ccc1O Amb33379488 [0,2,0,0,0,0|1,0,1]=4 6583 B13R1.893 O=C(O)COc1cc(O)ccc1Br Amb33387327 [0,2,0,0,0,0|1,0,1]=4 6584 B13R1.893 O=C(O)COc1cc(O)ccc1O Amb33268160 [0,2,0,0,0,0|1,0,1]=4 6585 B13R1.893 O=C(O)CSc1cc(Cl)ccc1Cl Amb1349047 [0,2,0,0,0,0|1,0,1]=4 6586 B13R1.893 O=C(O)CSc1cc(F)ccc1F Amb46713 [0,2,0,0,0,0|1,0,1]=4 6587 B13R1.893 O=C(O)CSc1cc(O)ccc1O Amb27947465 [0,2,0,0,0,0|1,0,1]=4 6588 B13R1.893 O=C(O)\C=C/c1cc(Cl)ccc1O Amb28243522 [0,2,0,0,0,0|0,0,0]=2 6589 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1Br Amb26455510 [0,2,0,0,0,0|0,0,0]=2 6590 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1Cl Amb24088755 [0,2,0,0,0,0|0,0,0]=2 6591 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1F Amb2720585 [0,2,0,0,0,0|0,0,0]=2 6592 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1O Amb2372280 [0,2,0,0,0,0|0,0,0]=2 6593 B13R1.893 O=C(O)\C=C\c1cc(Br)cnc1Cl Amb33007490 [0,2,0,0,0,0|1,0,0]=3 6594 B13R1.893 O=C(O)\C=C\c1cc(Br)cnc1F Amb33469133 [0,2,0,0,0,0|1,0,0]=3 6595 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1Br Amb24534032 [0,2,0,0,0,0|0,0,0]=2 6596 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1Cl Amb73289 [0,2,0,0,0,0|0,0,0]=2 6597 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1F Amb18894705 [0,2,0,0,0,0|0,0,0]=2 6598 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1I Amb25238389 [0,2,0,0,0,0|0,0,0]=2 6599 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1O Amb1110867 [0,2,0,0,0,0|0,0,0]=2 6600 B13R1.893 O=C(O)\C=C\c1cc(Cl)cnc1F Amb33257201 [0,2,0,0,0,0|1,0,0]=3 6601 B13R1.893 O=C(O)\C=C\c1cc(Cl)ncc1Br Amb33450935 [0,2,0,0,0,0|1,0,0]=3 6602 B13R1.893 O=C(O)\C=C\c1cc(Cl)nnc1Cl Amb33258946 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1Br Amb33242088 [0,2,0,0,0,0|0,0,0]=2 6604 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1Cl Amb24061211 [0,2,0,0,0,0|0,0,0]=2 6605 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1F Amb34005362 [0,2,0,0,0,0|0,0,0]=2 6606 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1O Amb2697909 [0,2,0,0,0,0|0,0,0]=2 6607 B13R1.893 O=C(O)\C=C\c1cc(I)ccc1Br Amb25293171 [0,2,0,0,0,0|0,0,0]=2 6608 B13R1.893 O=C(O)\C=C\c1cc(I)ccc1F Amb22339675 [0,2,0,0,0,0|0,0,0]=2 6609 B13R1.893 O=C(O)\C=C\c1cc(I)ccc1O Amb25858818 [0,2,0,0,0,0|0,0,0]=2 6610 B13R1.893 O=C(O)\C=C\c1cc(I)cnc1F Amb27613852 [0,2,0,0,0,0|1,0,0]=3 6611 B13R1.893 O=C(O)\C=C\c1cc(O)ccc1Br Amb24330669 [0,2,0,0,0,0|0,0,0]=2 6612 B13R1.893 O=C(O)\C=C\c1cc(O)ccc1F Amb27201433 [0,2,0,0,0,0|0,0,0]=2 6613 B13R1.893 O=C(O)\C=C\c1cc(O)ccc1O Amb8383782 [0,2,0,0,0,0|0,0,0]=2 6614 B13R1.893 O=C(O)\C=C\c1nc(F)ccc1I Amb25208548 [0,2,0,0,0,0|1,0,0]=3 6615 B13R1.893 O=C([O-])\C=C\c1cc(F)ccc1F Amb33513183 [0,2,0,0,0,0|0,0,1]=3 6616 B13R1.893 O=[N+]([O-])\C=C/c1cc(Cl)ccc1O Amb2389928 [0,2,0,0,0,0|1,0,1]=4 6617 B13R1.893 O=[N+]([O-])\C=C\c1cc(Br)ccc1Cl Amb26977093 [0,2,0,0,0,0|1,0,1]=4 6618 B13R1.893 O=[N+]([O-])\C=C\c1cc(Br)ccc1F Amb26646234 [0,2,0,0,0,0|1,0,1]=4 6619 B13R1.893 O=[N+]([O-])\C=C\c1cc(Br)ccc1O Amb25238381 [0,2,0,0,0,0|1,0,1]=4 6620 B13R1.893 O=[N+]([O-])\C=C\c1cc(Cl)ccc1Br Amb24607768 [0,2,0,0,0,0|1,0,1]=4 6621 B13R1.893 O=[N+]([O-])\C=C\c1cc(Cl)ccc1Cl Amb24669642 [0,2,0,0,0,0|1,0,1]=4 6622 B13R1.893 O=[N+]([O-])\C=C\c1cc(Cl)ccc1F Amb28458082 [0,2,0,0,0,0|1,0,1]=4 6623 B13R1.893 O=[N+]([O-])\C=C\c1cc(Cl)ccc1O Amb25274416 [0,2,0,0,0,0|1,0,1]=4 6624 B13R1.893 O=[N+]([O-])\C=C\c1cc(F)ccc1Br Amb24437137 [0,2,0,0,0,0|1,0,1]=4 6625 B13R1.893 O=[N+]([O-])\C=C\c1cc(F)ccc1F Amb6298528 [0,2,0,0,0,0|1,0,1]=4 6626 B13R1.893 O=[N+]([O-])\C=C\c1cc(F)ccc1O Amb33448820 [0,2,0,0,0,0|1,0,1]=4 6627 B13R1.893 O=[N+]([O-])\C=C\c1cc(O)ccc1Br Amb33387315 [0,2,0,0,0,0|1,0,1]=4 6628 B13R1.893 O=[N+]([O-])\C=C\c1cc(O)ccc1O Amb27492874 [0,2,0,0,0,0|1,0,1]=4 6629 B13R1.893 OB(O)\C=C\c1cc(F)ccc1Cl Amb28317139 [0,2,0,0,0,0|1,0,1]=4 6630 B13R1.893 OB(O)\C=C\c1cc(F)ccc1F Amb27618251 [0,2,0,0,0,0|1,0,1]=4 6631 B13R1.3787 CC(=O)\C=C\c1c(C)cccc1C Amb33079487 [0,2,0,0,0,0|1,0,0]=3 6632 B13R1.3787 CC(=O)\C=C\c1c(C)cccc1Cl Amb33259768 [0,2,0,0,0,0|1,0,0]=3 6633 B13R1.3787 CC(=O)\C=C\c1c(C)cccc1F Amb33148580 [0,2,0,0,0,0|1,0,0]=3 6634 B13R1.3787 CC(=O)\C=C\c1c(Cl)cccc1Br Amb33335186 [0,2,0,0,0,0|1,0,0]=3 6635 B13R1.3787 CC(=O)\C=C\c1c(Cl)cccc1Cl Amb33052087 [0,2,0,0,0,0|1,0,0]=3 6636 B13R1.3787 CC(=O)\C=C\c1c(Cl)cncc1Cl Amb33484962 [0,2,0,0,0,0|2,0,0]=4 6637 B13R1.3787 CC(=O)\C=C\c1c(F)cccc1Br Amb33431052 [0,2,0,0,0,0|1,0,0]=3 6638 B13R1.3787 CC(=O)\C=C\c1c(F)cccc1Cl Amb33390543 [0,2,0,0,0,0|1,0,0]=3 6639 B13R1.3787 CC(=O)\C=C\c1c(F)cncc1F Amb32881405 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.3787 CC(=O)\C=C\c1c(O)cccc1Br Amb33336488 [0,2,0,0,0,0|1,0,0]=3 6641 B13R1.3787 CC(=O)\C=C\c1c(O)cccc1Cl Amb33261787 [0,2,0,0,0,0|1,0,0]=3 6642 B13R1.3787 CC(=O)\C=C\c1c(O)cccc1O Amb25867712 [0,2,0,0,0,0|1,0,0]=3 6643 B13R1.3787 CC(O)\C=C\c1c(F)cccc1Br Amb27455186 [0,2,0,0,0,0|1,0,1]=4 6644 B13R1.3787 Cc1cccc(Br)c1CCC(=O)O Amb27267238 [0,2,0,0,0,0|0,0,2]=4 6645 B13R1.3787 Cc1cccc(Br)c1NCC(=O)O Amb35706800 [0,2,0,0,0,0|1,0,1]=4 6646 B13R1.3787 Cc1cccc(Br)c1\C=C\C(=O)O Amb24454088 [0,2,0,0,0,0|0,0,0]=2 6647 B13R1.3787 Cc1cccc(C)c1CCC(=O)O Amb3934502 [0,2,0,0,0,0|0,0,2]=4 6648 B13R1.3787 Cc1cccc(C)c1NCC(=O)O Amb2616691 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.3787 Cc1cccc(C)c1NCC(=O)O Amb33550046 [0,2,0,0,0,0|1,0,1]=4 6650 B13R1.3787 Cc1cccc(C)c1OCC(=O)O Amb6336519 [0,2,0,0,0,0|1,0,1]=4 6651 B13R1.3787 Cc1cccc(C)c1SCC(=O)O Amb18130319 [0,2,0,0,0,0|1,0,1]=4 6652 B13R1.3787 Cc1cccc(C)c1\C=C\C(=O)O Amb18647972 [0,2,0,0,0,0|0,0,0]=2 6653 B13R1.3787 Cc1cccc(C)c1\C=C\C(N)=O Amb24694298 [0,2,0,0,0,0|1,0,0]=3 6654 B13R1.3787 Cc1cccc(C)c1\C=C\[N+](=O)[O-] Amb25071289 [0,2,0,0,0,0|1,0,1]=4 6655 B13R1.3787 Cc1cccc(Cl)c1CCC(=O)O Amb26455631 [0,2,0,0,0,0|0,0,2]=4 6656 B13R1.3787 Cc1cccc(Cl)c1OCC(=O)O Amb10844862 [0,2,0,0,0,0|1,0,1]=4 6657 B13R1.3787 Cc1cccc(Cl)c1\C=C\C(=O)O Amb26422981 [0,2,0,0,0,0|0,0,0]=2 6658 B13R1.3787 Cc1cccc(Cl)c1\C=C\[N+](=O)[O-] Amb33390534 [0,2,0,0,0,0|1,0,1]=4 6659 B13R1.3787 Cc1cccc(F)c1CCC(=O)O Amb24496766 [0,2,0,0,0,0|0,0,2]=4 6660 B13R1.3787 Cc1cccc(F)c1OCC(=O)O Amb33148526 [0,2,0,0,0,0|1,0,1]=4 6661 B13R1.3787 Cc1cccc(F)c1\C=C\C(=O)O Amb33448658 [0,2,0,0,0,0|0,0,0]=2 6662 B13R1.3787 Cc1cccc(F)c1\C=C\[N+](=O)[O-] Amb33143156 [0,2,0,0,0,0|1,0,1]=4 6663 B13R1.3787 Cc1cccc(I)c1CCC(=O)O Amb24706641 [0,2,0,0,0,0|0,0,2]=4 6664 B13R1.3787 Cc1cccc(I)c1\C=C\C(=O)O Amb25249263 [0,2,0,0,0,0|0,0,0]=2 6665 B13R1.3787 Cc1cccc(N)c1CCC(=O)O Amb28323470 [0,2,0,0,0,0|0,0,2]=4 6666 B13R1.3787 Cc1cccc(N)c1\C=C\C(=O)O Amb27191787 [0,2,0,0,0,0|0,0,0]=2 6667 B13R1.3787 Cc1cccc(O)c1\C=C\C(=O)O Amb25233249 [0,2,0,0,0,0|0,0,0]=2 6668 B13R1.3787 Cc1cccc(S)c1CCC(=O)O Amb27462243 [0,2,0,0,0,0|0,0,2]=4 6669 B13R1.3787 Cc1ncnc(O)c1\C=C\C(=O)O Amb26527937 [0,2,0,0,0,0|2,0,0]=4 6670 B13R1.3787 NC(=O)\C=C\c1c(Cl)cccc1Cl Amb8858364 [0,2,0,0,0,0|1,0,0]=3 6671 B13R1.3787 NC(=O)\C=C\c1c(Cl)cncc1Cl Amb26929014 [0,2,0,0,0,0|2,0,0]=4 6672 B13R1.3787 NC(=O)\C=C\c1c(F)cccc1Cl Amb8858550 [0,2,0,0,0,0|1,0,0]=3 6673 B13R1.3787 NC(=O)\C=C\c1c(F)cccc1F Amb26856974 [0,2,0,0,0,0|1,0,0]=3 6674 B13R1.3787 NC(=O)\C=C\c1c(O)cccc1F Amb27878865 [0,2,0,0,0,0|1,0,0]=3 6675 B13R1.3787 Nc1cccc(Br)c1NCC(=O)O Amb35645870 [0,2,0,0,0,0|1,0,1]=4 6676 B13R1.3787 Nc1cccc(Cl)c1NCC(=O)O Amb18987712 [0,2,0,0,0,0|1,0,1]=4 6677 B13R1.3787 Nc1cccc(Cl)c1OCC(=O)O Amb27976292 [0,2,0,0,0,0|1,0,1]=4 6678 B13R1.3787 Nc1cccc(Cl)c1SCC(=O)O Amb18291276 [0,2,0,0,0,0|1,0,1]=4 6679 B13R1.3787 Nc1cccc(F)c1CCC(=O)O Amb27613841 [0,2,0,0,0,0|0,0,2]=4 6680 B13R1.3787 Nc1cccc(F)c1NCC(=O)O Amb27179488 [0,2,0,0,0,0|1,0,1]=4 6681 B13R1.3787 Nc1cccc(S)c1CCC(=O)O Amb27616050 [0,2,0,0,0,0|0,0,2]=4 6682 B13R1.3787 O=C(Cl)\C=C\c1c(Cl)cccc1Cl Amb16186543 [0,2,0,0,0,0|1,0,0]=3 6683 B13R1.3787 O=C(Cl)\C=C\c1c(F)cccc1Cl Amb16230251 [0,2,0,0,0,0|1,0,0]=3 6684 B13R1.3787 O=C(O)C#Cc1c(Cl)cccc1Cl Amb27172528 [0,2,0,0,0,0|0,0,2]=4 6685 B13R1.3787 O=C(O)C#Cc1c(F)cccc1Cl Amb26333174 [0,2,0,0,0,0|0,0,2]=4 6686 B13R1.3787 O=C(O)C#Cc1c(F)cccc1F Amb20673103 [0,2,0,0,0,0|0,0,2]=4 6687 B13R1.3787 O=C(O)C#Cc1c(O)cccc1F Amb32990044 [0,2,0,0,0,0|0,0,2]=4 6688 B13R1.3787 O=C(O)CCc1c(Br)cccc1I Amb25843924 [0,2,0,0,0,0|0,0,2]=4 6689 B13R1.3787 O=C(O)CCc1c(Cl)cccc1Br Amb26325744 [0,2,0,0,0,0|0,0,2]=4 6690 B13R1.3787 O=C(O)CCc1c(Cl)cccc1Cl Amb2686941 [0,2,0,0,0,0|0,0,2]=4 6691 B13R1.3787 O=C(O)CCc1c(Cl)cccc1I Amb22466013 [0,2,0,0,0,0|0,0,2]=4 6692 B13R1.3787 O=C(O)CCc1c(F)cccc1Br Amb24367288 [0,2,0,0,0,0|0,0,2]=4 6693 B13R1.3787 O=C(O)CCc1c(F)cccc1Cl Amb3934528 [0,2,0,0,0,0|0,0,2]=4 6694 B13R1.3787 O=C(O)CCc1c(F)cccc1F Amb3934529 [0,2,0,0,0,0|0,0,2]=4 6695 B13R1.3787 O=C(O)CCc1c(F)cccc1S Amb27624173 [0,2,0,0,0,0|0,0,2]=4 6696 B13R1.3787 O=C(O)CCc1c(O)cccc1Br Amb26988742 [0,2,0,0,0,0|0,0,2]=4 6697 B13R1.3787 O=C(O)CCc1c(O)cccc1F Amb27465651 [0,2,0,0,0,0|0,0,2]=4 6698 B13R1.3787 O=C(O)CCc1c(O)cccc1I Amb27177239 [0,2,0,0,0,0|0,0,2]=4 6699 B13R1.3787 O=C(O)CCc1c(O)cccc1S Amb27460235 [0,2,0,0,0,0|0,0,2]=4 6700 B13R1.3787 O=C(O)CCc1c(S)cccc1I Amb28133845 [0,2,0,0,0,0|0,0,2]=4 6701 B13R1.3787 O=C(O)CNc1c(Br)cccc1Br Amb28078026 [0,2,0,0,0,0|1,0,1]=4 6702 B13R1.3787 O=C(O)CNc1c(F)cccc1Cl Amb27654550 [0,2,0,0,0,0|1,0,1]=4 6703 B13R1.3787 O=C(O)CNc1c(F)cccc1F Amb7784581 [0,2,0,0,0,0|1,0,1]=4 6704 B13R1.3787 O=C(O)COc1c(Cl)cccc1Br Amb25157755 [0,2,0,0,0,0|1,0,1]=4 6705 B13R1.3787 O=C(O)COc1c(Cl)cccc1Cl Amb6382486 [0,2,0,0,0,0|1,0,1]=4 6706 B13R1.3787 O=C(O)COc1c(F)cccc1Br Amb24559359 [0,2,0,0,0,0|1,0,1]=4 6707 B13R1.3787 O=C(O)COc1c(F)cccc1Cl Amb26314146 [0,2,0,0,0,0|1,0,1]=4 6708 B13R1.3787 O=C(O)COc1c(F)cccc1F Amb4574109 [0,2,0,0,0,0|1,0,1]=4 6709 B13R1.3787 O=C(O)COc1c(O)cccc1Br Amb33336519 [0,2,0,0,0,0|1,0,1]=4 6710 B13R1.3787 O=C(O)COc1c(O)cccc1Cl Amb26016062 [0,2,0,0,0,0|1,0,1]=4 6711 B13R1.3787 O=C(O)CSc1c(Cl)cccc1Cl Amb1105921 [0,2,0,0,0,0|1,0,1]=4 6712 B13R1.3787 O=C(O)\C=C\c1c(Cl)cccc1Br Amb33450901 [0,2,0,0,0,0|0,0,0]=2 6713 B13R1.3787 O=C(O)\C=C\c1c(Cl)cccc1Cl Amb1212101 [0,2,0,0,0,0|0,0,0]=2 6714 B13R1.3787 O=C(O)\C=C\c1c(Cl)cncc1Cl Amb33261402 [0,2,0,0,0,0|1,0,0]=3 6715 B13R1.3787 O=C(O)\C=C\c1c(Cl)ncnc1Cl Amb33262311 [0,2,0,0,0,0|2,0,0]=4 6716 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1Br Amb33240203 [0,2,0,0,0,0|0,0,0]=2 6717 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1Cl Amb8517059 [0,2,0,0,0,0|0,0,0]=2 6718 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1F Amb1127459 [0,2,0,0,0,0|0,0,0]=2 6719 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1I Amb27596031 [0,2,0,0,0,0|0,0,0]=2 6720 B13R1.3787 O=C(O)\C=C\c1c(F)ccnc1I Amb24611071 [0,2,0,0,0,0|1,0,0]=3 6721 B13R1.3787 O=C(O)\C=C\c1c(F)cncc1F Amb35589136 [0,2,0,0,0,0|1,0,0]=3 6722 B13R1.3787 O=C(O)\C=C\c1c(O)cccc1Br Amb33242087 [0,2,0,0,0,0|0,0,0]=2 6723 B13R1.3787 O=C(O)\C=C\c1c(O)cccc1Cl Amb33261638 [0,2,0,0,0,0|0,0,0]=2 6724 B13R1.3787 O=C(O)\C=C\c1c(O)cccc1F Amb2697908 [0,2,0,0,0,0|0,0,0]=2 6725 B13R1.3787 O=C([O-])\C=C\c1c(F)cccc1F Amb33513186 [0,2,0,0,0,0|0,0,1]=3 6726 B13R1.3787 O=N(=O)\C=C\c1c(Cl)cccc1Cl Amb20620986 [0,2,0,0,0,0|1,0,1]=4 6727 B13R1.3787 O=[N+]([O-])\C=C/c1c(F)cccc1Cl Amb10838975 [0,2,0,0,0,0|1,0,1]=4 6728 B13R1.3787 O=[N+]([O-])\C=C\c1c(Cl)cccc1Br Amb33337360 [0,2,0,0,0,0|1,0,1]=4 6729 B13R1.3787 O=[N+]([O-])\C=C\c1c(Cl)cccc1Cl Amb2725390 [0,2,0,0,0,0|1,0,1]=4 6730 B13R1.3787 O=[N+]([O-])\C=C\c1c(F)cccc1Br Amb26441938 [0,2,0,0,0,0|1,0,1]=4 6731 B13R1.3787 O=[N+]([O-])\C=C\c1c(F)cccc1Cl Amb33406479 [0,2,0,0,0,0|1,0,1]=4 6732 B13R1.3787 O=[N+]([O-])\C=C\c1c(F)cccc1F Amb6298526 [0,2,0,0,0,0|1,0,1]=4 6733 B13R1.3787 O=[N+]([O-])\C=C\c1c(O)cccc1Br Amb33336476 [0,2,0,0,0,0|1,0,1]=4 6734 B13R1.3787 O=[N+]([O-])\C=C\c1c(O)cccc1Cl Amb33261082 [0,2,0,0,0,0|1,0,1]=4 6735 B13R1.3787 OB(O)\C=C\c1c(Cl)cccc1Br Amb28283946 [0,2,0,0,0,0|1,0,1]=4 6736 B13R1.643 C#Cc1cccc(CCC(=O)O)c1 Amb25871693 [0,2,0,0,0,0|0,0,2]=4 6737 B13R1.643 C#Cc1cccc(NCC(=O)O)c1 Amb7766408 [0,2,0,0,0,0|1,0,1]=4 6738 B13R1.643 C#Cc1cccc(OCC(=O)O)c1 Amb28239671 [0,2,0,0,0,0|1,0,1]=4 6739 B13R1.643 C#Cc1cccc(\C=C\C(=O)O)c1 Amb33267446 [0,2,0,0,0,0|0,0,0]=2 6740 B13R1.643 C#Cc1cccc(\C=C\C(C)=O)c1 Amb33272128 [0,2,0,0,0,0|1,0,0]=3 6741 B13R1.643 C#Cc1cccc(\C=C\[N+](=O)[O-])c1 Amb33272782 [0,2,0,0,0,0|1,0,1]=4 6742 B13R1.643 CC(=O)\C=C\c1cccc(C#N)c1 Amb33172531 [0,2,0,0,0,0|1,0,0]=3 6743 B13R1.643 CCc1cccc(C#CC(=O)O)c1 Amb27450218 [0,2,0,0,0,0|0,0,2]=4 6744 B13R1.643 CCc1cccc(OCC(=O)O)c1 Amb379094 [0,2,0,0,0,0|1,0,1]=4 6745 B13R1.643 CCc1cccc(\C=C\C(=O)O)c1 Amb33474780 [0,2,0,0,0,0|0,0,0]=2 6746 B13R1.643 CCc1cccc(\C=C\C(C)=O)c1 Amb32874592 [0,2,0,0,0,0|1,0,0]=3 6747 B13R1.643 CCc1cccc(\C=C\C(N)=O)c1 Amb25840414 [0,2,0,0,0,0|1,0,0]=3 6748 B13R1.643 CCc1cccc(\C=C\[N+](=O)[O-])c1 Amb32875435 [0,2,0,0,0,0|1,0,1]=4 6749 B13R1.643 CCc1cncc(\C=C\C(=O)O)c1 Amb27179259 [0,2,0,0,0,0|1,0,0]=3 6750 B13R1.643 CCc1nccc(\C=C\C(=O)O)n1 Amb24540537 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.643 CNc1cccc(CCC(=O)O)c1 Amb25950065 [0,2,0,0,0,0|0,0,2]=4 6752 B13R1.643 CNc1cccc(CCC(=O)O)c1 Amb26304212 [0,2,0,0,0,0|0,0,2]=4 6753 B13R1.643 COc1cc(\C=C\C(=O)O)ccn1 Amb33449419 [0,2,0,0,0,0|1,0,0]=3 6754 B13R1.643 COc1cc(\C=C\C(C)=O)ccn1 Amb32730194 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.643 COc1cccc(C#CC(=O)O)c1 Amb17233164 [0,2,0,0,0,0|0,0,2]=4 6756 B13R1.643 COc1cccc(CCC(=O)O)c1 Amb1225542 [0,2,0,0,0,0|0,0,2]=4 6757 B13R1.643 COc1cccc(NCC(=O)O)c1 Amb33484396 [0,2,0,0,0,0|1,0,1]=4 6758 B13R1.643 COc1cccc(NCC(=O)O)c1 Amb840517 [0,2,0,0,0,0|1,0,1]=4 6759 B13R1.643 COc1cccc(OCC(=O)O)c1 Amb33536707 [0,2,0,0,0,0|1,0,1]=4 6760 B13R1.643 COc1cccc(SCC(=O)O)c1 Amb33543183 [0,2,0,0,0,0|1,0,1]=4 6761 B13R1.643 COc1cccc(\C=C/C(=O)O)c1 Amb2596983 [0,2,0,0,0,0|0,0,0]=2 6762 B13R1.643 COc1cccc(\C=C/C(N)=O)n1 Amb28346831 [0,2,0,0,0,0|2,0,0]=4 6763 B13R1.643 COc1cccc(\C=C/C(N)=S)c1 Amb18108360 [0,2,0,0,0,0|1,1,0]=4 6764 B13R1.643 COc1cccc(\C=C\B(O)O)c1 Amb25268090 [0,2,0,0,0,0|1,0,1]=4 6765 B13R1.643 COc1cccc(\C=C\C(=N)N)c1 Amb25176209 [0,2,0,0,0,0|2,0,0]=4 6766 B13R1.643 COc1cccc(\C=C\C(=O)Cl)c1 Amb17143170 [0,2,0,0,0,0|1,0,0]=3 6767 B13R1.643 COc1cccc(\C=C\C(=O)O)c1 Amb1233781 [0,2,0,0,0,0|0,0,0]=2 6768 B13R1.643 COc1cccc(\C=C\C(=O)O)n1 Amb33450167 [0,2,0,0,0,0|1,0,0]=3 6769 B13R1.643 COc1cccc(\C=C\C(C)=O)c1 Amb1214296 [0,2,0,0,0,0|1,0,0]=3 6770 B13R1.643 COc1cccc(\C=C\C(C)=O)n1 Amb32953963 [0,2,0,0,0,0|2,0,0]=4 6771 B13R1.643 COc1cccc(\C=C\C(C)O)c1 Amb27486907 [0,2,0,0,0,0|1,0,1]=4 6772 B13R1.643 COc1cccc(\C=C\C(N)=O)n1 Amb27214006 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.643 COc1cccc(\C=C\C(N)=S)c1 Amb25791039 [0,2,0,0,0,0|1,1,0]=4 6774 B13R1.643 COc1cccc(\C=C\[C@H](C)O)c1 Amb28455618 [0,2,0,0,0,0|1,0,1]=4 6775 B13R1.643 COc1cccc(\C=C\[N+](=O)[O-])c1 Amb2725421 [0,2,0,0,0,0|1,0,1]=4 6776 B13R1.643 COc1cccc(\C=N\C(N)=O)c1 Amb27618314 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.643 COc1ccnc(\C=C\C(=O)O)c1 Amb33319030 [0,2,0,0,0,0|1,0,0]=3 6778 B13R1.643 COc1ccnc(\C=C\C(C)=O)c1 Amb33424529 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.643 COc1cncc(\C=C/C(N)=O)c1 Amb28046818 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.643 COc1cncc(\C=C\C(=O)O)c1 Amb25070365 [0,2,0,0,0,0|1,0,0]=3 6781 B13R1.643 COc1cncc(\C=C\C(C)=O)c1 Amb32875185 [0,2,0,0,0,0|2,0,0]=4 6782 B13R1.643 COc1cncc(\C=C\C(N)=O)c1 Amb28283763 [0,2,0,0,0,0|2,0,0]=4 6783 B13R1.643 CSc1cccc(CCC(=O)O)c1 Amb33448756 [0,2,0,0,0,0|0,0,2]=4 6784 B13R1.643 CSc1cccc(OCC(=O)O)c1 Amb33359814 [0,2,0,0,0,0|1,0,1]=4 6785 B13R1.643 CSc1cccc(\C=C\C(=O)O)c1 Amb25757030 [0,2,0,0,0,0|0,0,0]=2 6786 B13R1.643 CSc1cccc(\C=C\C(C)=O)c1 Amb33148214 [0,2,0,0,0,0|1,0,0]=3 6787 B13R1.643 CSc1cccc(\C=C\[N+](=O)[O-])c1 Amb33148761 [0,2,0,0,0,0|1,0,1]=4 6788 B13R1.643 N#Cc1cccc(C#CC(=O)O)c1 Amb27810426 [0,2,0,0,0,0|0,0,2]=4 6789 B13R1.643 N#Cc1cccc(CCC(=O)O)c1 Amb16232773 [0,2,0,0,0,0|0,0,2]=4 6790 B13R1.643 N#Cc1cccc(NCC(=O)O)c1 Amb7766523 [0,2,0,0,0,0|1,0,1]=4 6791 B13R1.643 N#Cc1cccc(OCC(=O)O)c1 Amb6244241 [0,2,0,0,0,0|1,0,1]=4 6792 B13R1.643 N#Cc1cccc(\C=C\C(=O)O)c1 Amb1142195 [0,2,0,0,0,0|0,0,0]=2 6793 B13R1.643 N#Cc1cccc(\C=C\C(N)=O)c1 Amb8860465 [0,2,0,0,0,0|1,0,0]=3 6794 B13R1.643 N#Cc1cccc(\C=C\[N+](=O)[O-])c1 Amb18795199 [0,2,0,0,0,0|1,0,1]=4 6795 B13R1.643 N#Cc1cncc(\C=C\C(=O)O)c1 Amb27618091 [0,2,0,0,0,0|1,0,0]=3 6796 B13R1.643 NCc1cccc(CCC(=O)O)c1 Amb24308980 [0,2,0,0,0,0|0,0,2]=4 6797 B13R1.643 NCc1cccc(CCC(=O)O)c1 Amb32670712 [0,2,0,0,0,0|0,0,2]=4 6798 B13R1.643 NCc1cccc(OCC(=O)O)c1 Amb17084901 [0,2,0,0,0,0|1,0,1]=4 6799 B13R1.643 NCc1cccc(OCC(=O)O)c1 Amb28600303 [0,2,0,0,0,0|1,0,1]=4 6800 B13R1.643 NNc1cccc(\C=C\C(=O)O)c1 Amb24610052 [0,2,0,0,0,0|0,0,0]=2 6801 B13R1.643 O=C(O)COc1cccc(CBr)c1 Amb6296999 [0,2,0,0,0,0|1,0,1]=4 6802 B13R1.643 O=C(O)COc1cccc(CO)c1 Amb3545049 [0,2,0,0,0,0|1,0,1]=4 6803 B13R1.643 O=C(O)\C=C\c1cccc(CO)c1 Amb35745899 [0,2,0,0,0,0|0,0,0]=2 6804 B13R1.643 O=Cc1cccc(C#CC(=O)O)c1 Amb33076825 [0,2,0,0,0,0|0,0,2]=4 6805 B13R1.643 O=Cc1cccc(CCC(=O)O)c1 Amb22228968 [0,2,0,0,0,0|0,0,2]=4 6806 B13R1.643 O=Cc1cccc(OCC(=O)O)c1 Amb836934 [0,2,0,0,0,0|1,0,1]=4 6807 B13R1.643 O=Cc1cccc(\C=C\C(=O)O)c1 Amb9780322 [0,2,0,0,0,0|0,0,0]=2 6808 B13R1.643 O=Nc1cccc(\C=C\C(=O)O)c1 Amb25363248 [0,2,0,0,0,0|0,0,0]=2 6809 B13R1.838 CC(C)(O)\C=C/c1cccc(O)c1 Amb27972926 [0,2,0,0,0,0|1,0,1]=4 6810 B13R1.838 CC(C)(O)\C=C\c1cccc(O)c1 Amb28253701 [0,2,0,0,0,0|1,0,1]=4 6811 B13R1.838 CS(=O)(=O)\C=C\c1cccc(Cl)c1 Amb23525080 [0,2,0,0,0,0|1,0,1]=4 6812 B13R1.838 CS(=O)(=O)\C=C\c1cccc(F)c1 Amb23596092 [0,2,0,0,0,0|1,0,1]=4 6813 B13R1.838 Cc1cccc(\C=C\S(=O)(=O)Cl)c1 Amb18953090 [0,2,0,0,0,0|1,0,1]=4 6814 B13R1.838 Cc1cccc(\C=C\S(=O)(=O)F)c1 Amb32716816 [0,2,0,0,0,0|1,0,1]=4 6815 B13R1.838 Cc1cccc(\C=C\S(C)(=O)=O)c1 Amb23596095 [0,2,0,0,0,0|1,0,1]=4 6816 B13R1.838 Cc1cccc(\C=C\S(N)(=O)=O)c1 Amb18318225 [0,2,0,0,0,0|1,0,1]=4 6817 B13R1.838 NS(=O)(=O)\C=C\c1cccc(Br)c1 Amb9393849 [0,2,0,0,0,0|1,0,1]=4 6818 B13R1.838 O=S(=O)(Cl)\C=C\c1cccc(Br)c1 Amb9393814 [0,2,0,0,0,0|1,0,1]=4 6819 B13R1.838 O=S(=O)(Cl)\C=C\c1cccc(Cl)c1 Amb9393803 [0,2,0,0,0,0|1,0,1]=4 6820 B13R1.838 O=S(=O)(F)\C=C\c1cccc(Br)c1 Amb32716823 [0,2,0,0,0,0|1,0,1]=4 6821 B13R1.838 O=S(=O)(F)\C=C\c1cccc(Cl)c1 Amb32717556 [0,2,0,0,0,0|1,0,1]=4 6822 B13R1.3420 CC(=O)\C=C\c1cc(C)cc(Br)c1 Amb33431432 [0,2,0,0,0,0|1,0,0]=3 6823 B13R1.3420 CC(=O)\C=C\c1cc(C)cc(C)c1 Amb18564017 [0,2,0,0,0,0|1,0,0]=3 6824 B13R1.3420 CC(=O)\C=C\c1cc(C)cc(F)c1 Amb33343046 [0,2,0,0,0,0|1,0,0]=3 6825 B13R1.3420 CC(=O)\C=C\c1cc(C)nc(Cl)c1 Amb33221992 [0,2,0,0,0,0|2,0,0]=4 6826 B13R1.3420 CC(=O)\C=C\c1cc(Cl)cc(Br)c1 Amb33333802 [0,2,0,0,0,0|1,0,0]=3 6827 B13R1.3420 CC(=O)\C=C\c1cc(Cl)cc(Cl)c1 Amb18066853 [0,2,0,0,0,0|1,0,0]=3 6828 B13R1.3420 CC(=O)\C=C\c1cc(Cl)nc(Cl)c1 Amb33258154 [0,2,0,0,0,0|2,0,0]=4 6829 B13R1.3420 CC(=O)\C=C\c1cc(F)cc(Br)c1 Amb33337323 [0,2,0,0,0,0|1,0,0]=3 6830 B13R1.3420 CC(=O)\C=C\c1cc(F)cc(Cl)c1 Amb33390468 [0,2,0,0,0,0|1,0,0]=3 6831 B13R1.3420 CC(=O)\C=C\c1cc(F)cc(F)c1 Amb27242839 [0,2,0,0,0,0|1,0,0]=3 6832 B13R1.3420 CC(O)\C=C\c1cc(Cl)cc(Cl)c1 Amb28435964 [0,2,0,0,0,0|1,0,1]=4 6833 B13R1.3420 CC(O)\C=C\c1cc(F)cc(Br)c1 Amb27984149 [0,2,0,0,0,0|1,0,1]=4 6834 B13R1.3420 CC(O)\C=C\c1cc(F)cc(Cl)c1 Amb27646277 [0,2,0,0,0,0|1,0,1]=4 6835 B13R1.3420 CC(O)\C=C\c1cc(F)cc(F)c1 Amb27755465 [0,2,0,0,0,0|1,0,1]=4 6836 B13R1.3420 Cc1cc(Br)cc(CCC(=O)O)c1 Amb24399974 [0,2,0,0,0,0|0,0,2]=4 6837 B13R1.3420 Cc1cc(Br)cc(OCC(=O)O)c1 Amb33431438 [0,2,0,0,0,0|1,0,1]=4 6838 B13R1.3420 Cc1cc(Br)cc(\C=C\C(=O)O)c1 Amb24367286 [0,2,0,0,0,0|0,0,0]=2 6839 B13R1.3420 Cc1cc(Br)cc(\C=C\[N+](=O)[O-])c1 Amb25155346 [0,2,0,0,0,0|1,0,1]=4 6840 B13R1.3420 Cc1cc(C)cc(C#CC(=O)O)c1 Amb28280421 [0,2,0,0,0,0|0,0,2]=4 6841 B13R1.3420 Cc1cc(C)cc(CCC(=O)O)c1 Amb10607373 [0,2,0,0,0,0|0,0,2]=4 6842 B13R1.3420 Cc1cc(C)cc(NCC(=O)O)c1 Amb840533 [0,2,0,0,0,0|1,0,1]=4 6843 B13R1.3420 Cc1cc(C)cc(OCC(=O)O)c1 Amb6358453 [0,2,0,0,0,0|1,0,1]=4 6844 B13R1.3420 Cc1cc(C)cc(SCC(=O)O)c1 Amb5775595 [0,2,0,0,0,0|1,0,1]=4 6845 B13R1.3420 Cc1cc(C)cc(\C=C\C(=O)O)c1 Amb17204318 [0,2,0,0,0,0|0,0,0]=2 6846 B13R1.3420 Cc1cc(C)cc(\C=C\[N+](=O)[O-])c1 Amb25118163 [0,2,0,0,0,0|1,0,1]=4 6847 B13R1.3420 Cc1cc(C)nc(\C=C\C(=O)O)c1 Amb33470085 [0,2,0,0,0,0|1,0,0]=3 6848 B13R1.3420 Cc1cc(Cl)cc(CCC(=O)O)c1 Amb18652971 [0,2,0,0,0,0|0,0,2]=4 6849 B13R1.3420 Cc1cc(Cl)cc(\C=C\C(=O)O)c1 Amb25705416 [0,2,0,0,0,0|0,0,0]=2 6850 B13R1.3420 Cc1cc(F)cc(CCC(=O)O)c1 Amb22047763 [0,2,0,0,0,0|0,0,2]=4 6851 B13R1.3420 Cc1cc(F)cc(NCC(=O)O)c1 Amb24689802 [0,2,0,0,0,0|1,0,1]=4 6852 B13R1.3420 Cc1cc(F)cc(OCC(=O)O)c1 Amb33342725 [0,2,0,0,0,0|1,0,1]=4 6853 B13R1.3420 Cc1cc(F)cc(\C=C\B(O)O)c1 Amb27873680 [0,2,0,0,0,0|1,0,1]=4 6854 B13R1.3420 Cc1cc(F)cc(\C=C\C(=O)O)c1 Amb32953986 [0,2,0,0,0,0|0,0,0]=2 6855 B13R1.3420 Cc1cc(F)cc(\C=C\[N+](=O)[O-])c1 Amb33343435 [0,2,0,0,0,0|1,0,1]=4 6856 B13R1.3420 Cc1cc(I)cc(NCC(=O)O)c1 Amb35690996 [0,2,0,0,0,0|1,0,1]=4 6857 B13R1.3420 Cc1cc(I)cc(\C=C\C(=O)O)c1 Amb24518456 [0,2,0,0,0,0|0,0,0]=2 6858 B13R1.3420 Cc1cc(N)cc(OCC(=O)O)c1 Amb23441427 [0,2,0,0,0,0|1,0,1]=4 6859 B13R1.3420 Cc1cc(O)cc(CCC(=O)O)c1 Amb18128623 [0,2,0,0,0,0|0,0,2]=4 6860 B13R1.3420 Cc1cc(O)cc(\C=C\C(=O)O)c1 Amb18128089 [0,2,0,0,0,0|0,0,0]=2 6861 B13R1.3420 Cc1cc(S)cc(CCC(=O)O)c1 Amb27482133 [0,2,0,0,0,0|0,0,2]=4 6862 B13R1.3420 Cc1cc(\C=C\C(=O)O)cc(Cl)n1 Amb33221902 [0,2,0,0,0,0|1,0,0]=3 6863 B13R1.3420 NC(=O)\C=C/c1cc(F)cc(F)c1 Amb27251966 [0,2,0,0,0,0|1,0,0]=3 6864 B13R1.3420 NC(=O)\C=C\c1cc(Br)cc(Br)c1 Amb26946330 [0,2,0,0,0,0|1,0,0]=3 6865 B13R1.3420 NC(=O)\C=C\c1cc(Cl)cc(Cl)c1 Amb8858678 [0,2,0,0,0,0|1,0,0]=3 6866 B13R1.3420 NC(=O)\C=C\c1cc(Cl)nc(Cl)c1 Amb25109815 [0,2,0,0,0,0|2,0,0]=4 6867 B13R1.3420 NC(=O)\C=C\c1cc(F)cc(Cl)c1 Amb27776891 [0,2,0,0,0,0|1,0,0]=3 6868 B13R1.3420 NC(=O)\C=C\c1cc(F)cc(F)c1 Amb28133828 [0,2,0,0,0,0|1,0,0]=3 6869 B13R1.3420 NC(=O)\C=C\c1cc(F)cc(I)c1 Amb27492876 [0,2,0,0,0,0|1,0,0]=3 6870 B13R1.3420 Nc1cc(Br)cc(OCC(=O)O)c1 Amb27471685 [0,2,0,0,0,0|1,0,1]=4 6871 B13R1.3420 Nc1cc(Br)cc(\C=C/C(=O)O)c1 Amb23576412 [0,2,0,0,0,0|0,0,0]=2 6872 B13R1.3420 Nc1cc(Br)cc(\C=C\C(=O)O)c1 Amb25970985 [0,2,0,0,0,0|0,0,0]=2 6873 B13R1.3420 Nc1cc(Cl)cc(CCC(=O)O)c1 Amb27666056 [0,2,0,0,0,0|0,0,2]=4 6874 B13R1.3420 Nc1cc(Cl)cc(OCC(=O)O)c1 Amb28135367 [0,2,0,0,0,0|1,0,1]=4 6875 B13R1.3420 Nc1cc(F)cc(NCC(=O)O)c1 Amb18296060 [0,2,0,0,0,0|1,0,1]=4 6876 B13R1.3420 Nc1cc(F)cc(SCC(=O)O)c1 Amb28130935 [0,2,0,0,0,0|1,0,1]=4 6877 B13R1.3420 Nc1cc(N)cc(CCC(=O)O)c1 Amb27782040 [0,2,0,0,0,0|0,0,2]=4 6878 B13R1.3420 Nc1cc(O)cc(CCC(=O)O)c1 Amb27849132 [0,2,0,0,0,0|0,0,2]=4 6879 B13R1.3420 O=C(Cl)\C=C\c1cc(Br)cc(Br)c1 Amb26894015 [0,2,0,0,0,0|1,0,0]=3 6880 B13R1.3420 O=C(O)C#Cc1cc(Cl)cc(Cl)c1 Amb24472766 [0,2,0,0,0,0|0,0,2]=4 6881 B13R1.3420 O=C(O)CCc1cc(Br)cc(Br)c1 Amb22047823 [0,2,0,0,0,0|0,0,2]=4 6882 B13R1.3420 O=C(O)CCc1cc(Br)cc(I)c1 Amb27828653 [0,2,0,0,0,0|0,0,2]=4 6883 B13R1.3420 O=C(O)CCc1cc(Cl)cc(Br)c1 Amb24451090 [0,2,0,0,0,0|0,0,2]=4 6884 B13R1.3420 O=C(O)CCc1cc(Cl)cc(Cl)c1 Amb3934501 [0,2,0,0,0,0|0,0,2]=4 6885 B13R1.3420 O=C(O)CCc1cc(F)cc(Br)c1 Amb26974167 [0,2,0,0,0,0|0,0,2]=4 6886 B13R1.3420 O=C(O)CCc1cc(F)cc(Cl)c1 Amb22277023 [0,2,0,0,0,0|0,0,2]=4 6887 B13R1.3420 O=C(O)CCc1cc(F)cc(F)c1 Amb17470681 [0,2,0,0,0,0|0,0,2]=4 6888 B13R1.3420 O=C(O)CCc1cc(F)cc(S)c1 Amb27423508 [0,2,0,0,0,0|0,0,2]=4 6889 B13R1.3420 O=C(O)CCc1cc(O)cc(Br)c1 Amb27209588 [0,2,0,0,0,0|0,0,2]=4 6890 B13R1.3420 O=C(O)CCc1cc(O)cc(Cl)c1 Amb28398113 [0,2,0,0,0,0|0,0,2]=4 6891 B13R1.3420 O=C(O)CCc1cc(O)cc(F)c1 Amb28069133 [0,2,0,0,0,0|0,0,2]=4 6892 B13R1.3420 O=C(O)CCc1cc(S)cc(I)c1 Amb27423698 [0,2,0,0,0,0|0,0,2]=4 6893 B13R1.3420 O=C(O)CNc1cc(Br)cc(Br)c1 Amb35725759 [0,2,0,0,0,0|1,0,1]=4 6894 B13R1.3420 O=C(O)CNc1cc(Cl)cc(Br)c1 Amb28386282 [0,2,0,0,0,0|1,0,1]=4 6895 B13R1.3420 O=C(O)CNc1cc(Cl)cc(Cl)c1 Amb4598586 [0,2,0,0,0,0|1,0,1]=4 6896 B13R1.3420 O=C(O)CNc1cc(F)cc(Br)c1 Amb28383809 [0,2,0,0,0,0|1,0,1]=4 6897 B13R1.3420 O=C(O)CNc1cc(F)cc(Cl)c1 Amb25833687 [0,2,0,0,0,0|1,0,1]=4 6898 B13R1.3420 O=C(O)CNc1cc(I)cc(I)c1 Amb35706901 [0,2,0,0,0,0|1,0,1]=4 6899 B13R1.3420 O=C(O)CNc1cc(O)cc(O)c1 Amb24355301 [0,2,0,0,0,0|1,0,1]=4 6900 B13R1.3420 O=C(O)COc1cc(Cl)cc(Br)c1 Amb27953061 [0,2,0,0,0,0|1,0,1]=4 6901 B13R1.3420 O=C(O)COc1cc(Cl)cc(Cl)c1 Amb5775821 [0,2,0,0,0,0|1,0,1]=4 6902 B13R1.3420 O=C(O)COc1cc(F)cc(Br)c1 Amb25064229 [0,2,0,0,0,0|1,0,1]=4 6903 B13R1.3420 O=C(O)COc1cc(F)cc(Cl)c1 Amb32946451 [0,2,0,0,0,0|1,0,1]=4 6904 B13R1.3420 O=C(O)COc1cc(F)cc(F)c1 Amb2611893 [0,2,0,0,0,0|1,0,1]=4 6905 B13R1.3420 O=C(O)COc1cc(F)cc(I)c1 Amb32946390 [0,2,0,0,0,0|1,0,1]=4 6906 B13R1.3420 O=C(O)CSc1cc(Cl)cc(Cl)c1 Amb5769622 [0,2,0,0,0,0|1,0,1]=4 6907 B13R1.3420 O=C(O)\C=C\c1cc(Br)cc(Br)c1 Amb6296965 [0,2,0,0,0,0|0,0,0]=2 6908 B13R1.3420 O=C(O)\C=C\c1cc(Cl)cc(Br)c1 Amb33451090 [0,2,0,0,0,0|0,0,0]=2 6909 B13R1.3420 O=C(O)\C=C\c1cc(Cl)cc(Cl)c1 Amb1124065 [0,2,0,0,0,0|0,0,0]=2 6910 B13R1.3420 O=C(O)\C=C\c1cc(Cl)nc(Cl)c1 Amb33257762 [0,2,0,0,0,0|1,0,0]=3 6911 B13R1.3420 O=C(O)\C=C\c1cc(F)cc(Br)c1 Amb24061928 [0,2,0,0,0,0|0,0,0]=2 6912 B13R1.3420 O=C(O)\C=C\c1cc(F)cc(Cl)c1 Amb22738254 [0,2,0,0,0,0|0,0,0]=2 6913 B13R1.3420 O=C(O)\C=C\c1cc(F)cc(F)c1 Amb2371918 [0,2,0,0,0,0|0,0,0]=2 6914 B13R1.3420 O=C(O)\C=C\c1cc(F)cc(I)c1 Amb27644092 [0,2,0,0,0,0|0,0,0]=2 6915 B13R1.3420 O=C(O)\C=C\c1cc(O)cc(F)c1 Amb25039440 [0,2,0,0,0,0|0,0,0]=2 6916 B13R1.3420 O=C(O)\C=C\c1cc(O)cc(O)c1 Amb25355360 [0,2,0,0,0,0|0,0,0]=2 6917 B13R1.3420 O=C([O-])\C=C\c1cc(F)cc(F)c1 Amb33513184 [0,2,0,0,0,0|0,0,1]=3 6918 B13R1.3420 O=[N+]([O-])\C=C\c1cc(Br)cc(Br)c1 Amb27882947 [0,2,0,0,0,0|1,0,1]=4 6919 B13R1.3420 O=[N+]([O-])\C=C\c1cc(Cl)cc(Br)c1 Amb33435598 [0,2,0,0,0,0|1,0,1]=4 6920 B13R1.3420 O=[N+]([O-])\C=C\c1cc(Cl)cc(Cl)c1 Amb33390718 [0,2,0,0,0,0|1,0,1]=4 6921 B13R1.3420 O=[N+]([O-])\C=C\c1cc(F)cc(Br)c1 Amb26491020 [0,2,0,0,0,0|1,0,1]=4 6922 B13R1.3420 O=[N+]([O-])\C=C\c1cc(F)cc(Cl)c1 Amb26339218 [0,2,0,0,0,0|1,0,1]=4 6923 B13R1.3420 O=[N+]([O-])\C=C\c1cc(F)cc(F)c1 Amb33359364 [0,2,0,0,0,0|1,0,1]=4 6924 B13R1.3420 O=[N+]([O-])\C=C\c1cc(O)cc(F)c1 Amb26329877 [0,2,0,0,0,0|1,0,1]=4 6925 B13R1.3420 O=[N+]([O-])\C=C\c1cc(O)cc(O)c1 Amb26329984 [0,2,0,0,0,0|1,0,1]=4 6926 B13R1.3420 OB(O)\C=C\c1cc(F)cc(F)c1 Amb20669460 [0,2,0,0,0,0|1,0,1]=4 6927 B11R1.27 O=C\C=C\C=C1/C=CC(=O)O1 Amb27852087 [0,0,1,1,0,0|1,0,0]=3 6928 B11R1.27 O=C\C=C\C=C1\C=CC(=O)O1 Amb27257892 [0,0,1,1,0,0|1,0,0]=3 6929 B11R1.53 C#Cc1ccccc1C(=O)O Amb10068419 [0,0,1,1,0,0|0,0,2]=4 6930 B11R1.53 C=Cc1ccccc1B(O)O Amb2456067 [0,0,1,1,0,0|1,0,1]=4 6931 B11R1.53 C=Cc1ccccc1C(=O)O Amb16185425 [0,0,1,1,0,0|0,0,0]=2 6932 B11R1.53 C=Cc1ccccc1C(C)=O Amb17593659 [0,0,1,1,0,0|1,0,0]=3 6933 B11R1.53 C=Cc1ccccc1[C@H](C)O Amb28369031 [0,0,1,1,0,0|1,0,1]=4 6934 B11R1.53 C=Cc1ccccc1[N+](=O)[O-] Amb17672589 [0,0,1,1,0,0|1,0,1]=4 6935 B11R1.53 C=Cc1cccnc1C(=O)O Amb27248247 [0,0,1,1,0,0|1,0,0]=3 6936 B11R1.53 C=Cc1cccnc1C(C)=O Amb24463663 [0,0,1,1,0,0|2,0,0]=4 6937 B11R1.53 C=Cc1ccncc1C(=O)O Amb26978462 [0,0,1,1,0,0|1,0,0]=3 6938 B11R1.53 C=Cc1ccncc1C(C)=O Amb27823669 [0,0,1,1,0,0|2,0,0]=4 6939 B11R1.53 C=Cc1cnccc1C(C)=O Amb25330922 [0,0,1,1,0,0|2,0,0]=4 6940 B11R1.53 C=Cc1ncccc1C(=O)O Amb25085304 [0,0,1,1,0,0|1,0,0]=3 6941 B11R1.53 C=Cc1ncccc1C(C)=O Amb26504119 [0,0,1,1,0,0|2,0,0]=4 6942 B11R1.53 CCc1ccccc1C(=O)O Amb3940731 [0,0,1,1,0,0|0,0,2]=4 6943 B11R1.53 CNc1ccccc1C(=O)O Amb1209109 [0,0,1,1,0,0|1,0,1]=4 6944 B11R1.53 COc1ccccc1C(=O)O Amb2592793 [0,0,1,1,0,0|1,0,1]=4 6945 B11R1.53 CSc1ccccc1C(=O)O Amb6357476 [0,0,1,1,0,0|1,0,1]=4 6946 B11R1.53 C\C=C1/C=CC=C/C1=C(/C)O Amb27848191 [0,0,1,1,0,0|1,0,1]=4 6947 B11R1.53 C\C=C1\C=CC=C\C1=C(\C)O Amb27875406 [0,0,1,1,0,0|1,0,1]=4 6948 B11R1.53 N#Cc1ccccc1C(=O)O Amb1971492 [0,0,1,1,0,0|1,0,1]=4 6949 B11R1.53 N=Cc1ccccc1C(=O)O Amb27413879 [0,0,1,1,0,0|1,0,0]=3 6950 B11R1.53 NC(=O)c1ccccc1C=O Amb25865237 [0,0,1,1,0,0|2,0,0]=4 6951 B11R1.53 NCc1ccccc1C(=O)O Amb1092013 [0,0,1,1,0,0|1,0,1]=4 6952 B11R1.53 NCc1ccccc1C(=O)O Amb21955326 [0,0,1,1,0,0|1,0,1]=4 6953 B11R1.53 NNc1ccccc1C(=O)O Amb1202653 [0,0,1,1,0,0|2,0,0]=4 6954 B11R1.53 NNc1ccccc1C(=O)O Amb2235199 [0,0,1,1,0,0|2,0,0]=4 6955 B11R1.53 O=C(O)c1ccccc1CBr Amb1935113 [0,0,1,1,0,0|1,0,1]=4 6956 B11R1.53 O=C(O)c1ccccc1CCl Amb6892775 [0,0,1,1,0,0|1,0,1]=4 6957 B11R1.53 O=C(O)c1ccccc1CF Amb25109949 [0,0,1,1,0,0|1,0,1]=4 6958 B11R1.53 O=C(O)c1ccccc1CO Amb33529359 [0,0,1,1,0,0|1,0,1]=4 6959 B11R1.53 O=C(O)c1ccccc1CS Amb17498634 [0,0,1,1,0,0|1,0,1]=4 6960 B11R1.53 O=C(O)c1ccccc1NO Amb26512688 [0,0,1,1,0,0|2,0,0]=4 6961 B11R1.53 O=C(O)c1ccccc1SCl Amb28136748 [0,0,1,1,0,0|2,0,0]=4 6962 B11R1.53 O=Cc1ccccc1C(=O)O Amb2568292 [0,0,1,1,0,0|1,0,0]=3 6963 B11R1.53 O=Cc1ccccc1S(=O)O Amb27823415 [0,0,1,1,0,0|2,0,0]=4 6964 B11R1.53 O=Cc1cccnc1C(=O)O Amb33544128 [0,0,1,1,0,0|2,0,0]=4 6965 B11R1.53 O=Cc1ccncc1C(=O)O Amb7172756 [0,0,1,1,0,0|2,0,0]=4 6966 B11R1.53 O=Cc1cnccc1C(=O)O Amb23559759 [0,0,1,1,0,0|2,0,0]=4 6967 B11R1.53 O=Cc1ncccc1C(=O)O Amb22001968 [0,0,1,1,0,0|2,0,0]=4 6968 B11R1.53 O=Cc1ncccc1C(=O)O Amb32721603 [0,0,1,1,0,0|2,0,0]=4 6969 B11R1.53 O=Nc1ccccc1C(=O)O Amb17593754 [0,0,1,1,0,0|2,0,0]=4 6970 B11R1.53 O=[IH2]c1ccccc1C(=O)O Amb9809713 [0,0,1,1,0,0|2,0,0]=4 6971 B11R1.53 [C-]#[N+]c1ccccc1C(=O)O Amb28125730 [0,0,1,1,0,0|1,0,1]=4 6972 B11R1.53 [NH3+]Nc1ccccc1C(=O)O Amb6365989 [0,0,1,1,0,0|2,0,0]=4 6973 B11R1.101 O=C1C=CC=CC=CC=CC1 Amb26062133 [0,0,1,1,0,0|1,0,0]=3 6974 B11R1.143 CC(=O)C1=CC=CC=CC1=O Amb27470828 [0,0,1,1,0,0|2,0,0]=4 6975 B11R1.143 O=C(Cl)C1=CC=CC=CC1=O Amb27184116 [0,0,1,1,0,0|2,0,0]=4 6976 B11R1.172 O=C(O)C\C=C\c1cccs1 Amb18563846 [0,0,1,1,0,0|1,0,1]=4 6977 B11R1.172 O=C(O)\C=C\Cc1ccco1 Amb25060755 [0,0,1,1,0,0|1,0,1]=4 6978 B11R1.172 O=C(O)\C=C\Cc1cccs1 Amb25989107 [0,0,1,1,0,0|1,0,1]=4 6979 B11R1.172 O=C(O)\C=C\Cc1ccsc1 Amb33470057 [0,0,1,1,0,0|1,0,1]=4 6980 B11R1.193 C=CCc1sccc1C(=O)O Amb27878775 [0,0,1,1,0,0|1,0,1]=4 6981 B11R1.193 C=CCn1cccc1C(=O)O Amb22971298 [0,0,1,1,0,0|1,0,1]=4 6982 B11R1.193 O=C(O)c1ccoc1\C=C\Br Amb33135409 [0,0,1,1,0,0|2,0,0]=4 6983 B11R1.193 O=C(O)c1ccsc1\C=C\Br Amb33135293 [0,0,1,1,0,0|2,0,0]=4 6984 B11R1.193 O=C(O)c1sccc1\C=C\Br Amb33135382 [0,0,1,1,0,0|2,0,0]=4 6985 B11R1.706 O=C(O)C1=CC=CC=CC=C1 Amb22365173 [0,0,1,1,0,0|0,0,0]=2 6986 B11R1.742 O=C(O)CC1=CC=CC=CC1 Amb27392309 [0,0,1,1,0,0|0,0,2]=4 6987 B11R1.37 C=Cc1ccc(O)cc1C=O Amb26343785 [0,0,1,1,0,0|2,0,0]=4 6988 B11R1.50 C=Cc1cc(C(=O)O)c(C)o1 Amb26012199 [0,0,1,1,0,0|1,0,1]=4 6989 B11R1.124 C=CCc1ccc(C(=O)O)o1 Amb27974261 [0,0,1,1,0,0|1,0,1]=4 6990 B11R1.124 C=CCc1ccc(C(=O)O)s1 Amb27233618 [0,0,1,1,0,0|1,0,1]=4 6991 B11R1.124 O=C(O)c1ccc(\C=C\Br)s1 Amb33135034 [0,0,1,1,0,0|2,0,0]=4 6992 B11R1.124 O=C(O)c1csc(\C=C\Br)c1 Amb33135297 [0,0,1,1,0,0|2,0,0]=4 6993 B11R1.266 C#Cc1cccc(C(=O)O)c1 Amb10603689 [0,0,1,1,0,0|0,0,2]=4 6994 B11R1.266 C=Cc1cc(C(=O)O)ccn1 Amb25368401 [0,0,1,1,0,0|1,0,0]=3 6995 B11R1.266 C=Cc1cc(C(C)=O)ccn1 Amb28367213 [0,0,1,1,0,0|2,0,0]=4 6996 B11R1.266 C=Cc1cccc(B(O)O)c1 Amb2456068 [0,0,1,1,0,0|1,0,1]=4 6997 B11R1.266 C=Cc1cccc(C(=O)O)c1 Amb9825008 [0,0,1,1,0,0|0,0,0]=2 6998 B11R1.266 C=Cc1cccc(C(=O)O)n1 Amb25790049 [0,0,1,1,0,0|1,0,0]=3 6999 B11R1.266 C=Cc1cccc(C(C)=O)c1 Amb24627220 [0,0,1,1,0,0|1,0,0]=3 7000 B11R1.266 C=Cc1cccc(C(C)=O)n1 Amb24454876 [0,0,1,1,0,0|2,0,0]=4 7001 B11R1.266 C=Cc1cccc(C(C)O)c1 Amb27826520 [0,0,1,1,0,0|1,0,1]=4 7002 B11R1.266 C=Cc1cccc([C@@H](C)O)c1 Amb28454219 [0,0,1,1,0,0|1,0,1]=4 7003 B11R1.266 C=Cc1ccnc(C(=O)O)c1 Amb27975433 [0,0,1,1,0,0|1,0,0]=3 7004 B11R1.266 C=Cc1ccnc(C(C)=O)c1 Amb25687610 [0,0,1,1,0,0|2,0,0]=4 7005 B11R1.266 C=Cc1cncc(C(C)=O)c1 Amb25032530 [0,0,1,1,0,0|2,0,0]=4 7006 B11R1.266 C=Cc1cncc(C(N)=O)c1 Amb28346273 [0,0,1,1,0,0|2,0,0]=4 7007 B11R1.266 CC(=O)c1cccc(C=O)c1 Amb10607476 [0,0,1,1,0,0|2,0,0]=4 7008 B11R1.266 CCc1cccc(C(=O)O)c1 Amb8439094 [0,0,1,1,0,0|0,0,2]=4 7009 B11R1.266 CNc1cccc(C(=O)O)c1 Amb17306309 [0,0,1,1,0,0|1,0,1]=4 7010 B11R1.266 CNc1cccc(C(=O)O)c1 Amb22899076 [0,0,1,1,0,0|1,0,1]=4 7011 B11R1.266 COc1cccc(C(=O)O)c1 Amb1227738 [0,0,1,1,0,0|1,0,1]=4 7012 B11R1.266 CSc1cccc(C(=O)O)c1 Amb8387513 [0,0,1,1,0,0|1,0,1]=4 7013 B11R1.266 N#Cc1cccc(C(=O)O)c1 Amb1208364 [0,0,1,1,0,0|1,0,1]=4 7014 B11R1.266 NC(=O)c1cccc(C=O)c1 Amb19514706 [0,0,1,1,0,0|2,0,0]=4 7015 B11R1.266 NCc1cccc(C(=O)O)c1 Amb535343 [0,0,1,1,0,0|1,0,1]=4 7016 B11R1.266 NCc1cccc(C(=O)O)c1 Amb8630062 [0,0,1,1,0,0|1,0,1]=4 7017 B11R1.266 NNc1cccc(C(=O)O)c1 Amb10664885 [0,0,1,1,0,0|2,0,0]=4 7018 B11R1.266 NNc1cccc(C(=O)O)c1 Amb2234498 [0,0,1,1,0,0|2,0,0]=4 7019 B11R1.266 NOc1cccc(C(=O)O)c1 Amb8388259 [0,0,1,1,0,0|2,0,0]=4 7020 B11R1.266 O=C(O)c1cccc(CBr)c1 Amb1213401 [0,0,1,1,0,0|1,0,1]=4 7021 B11R1.266 O=C(O)c1cccc(CCl)c1 Amb2609963 [0,0,1,1,0,0|1,0,1]=4 7022 B11R1.266 O=C(O)c1cccc(CF)c1 Amb27791782 [0,0,1,1,0,0|1,0,1]=4 7023 B11R1.266 O=C(O)c1cccc(CO)c1 Amb6296522 [0,0,1,1,0,0|1,0,1]=4 7024 B11R1.266 O=C(O)c1cccc(CS)c1 Amb6892057 [0,0,1,1,0,0|1,0,1]=4 7025 B11R1.266 O=Cc1cc(C(=O)O)ccn1 Amb21857065 [0,0,1,1,0,0|2,0,0]=4 7026 B11R1.266 O=Cc1cccc(C(=O)Cl)c1 Amb22893506 [0,0,1,1,0,0|2,0,0]=4 7027 B11R1.266 O=Cc1cccc(C(=O)O)c1 Amb2721214 [0,0,1,1,0,0|1,0,0]=3 7028 B11R1.266 O=Cc1cccc(C(=O)O)n1 Amb18201819 [0,0,1,1,0,0|2,0,0]=4 7029 B11R1.266 O=Cc1cccc(C(=O)O)n1 Amb32655951 [0,0,1,1,0,0|2,0,0]=4 7030 B11R1.266 O=Cc1ccnc(C(=O)O)c1 Amb22500483 [0,0,1,1,0,0|2,0,0]=4 7031 B11R1.266 O=Cc1cncc(C(=O)O)c1 Amb2795633 [0,0,1,1,0,0|2,0,0]=4 7032 B11R1.266 O=Cc1cncc(C(=O)O)c1 Amb32753667 [0,0,1,1,0,0|2,0,0]=4 7033 B11R1.167 C=C1C=CC(=C)C(C(=O)O)C1 Amb24364621 [0,0,1,1,0,0|0,0,2]=4 7034 B11R1.167 Cc1ccc(Br)c(C(=O)O)c1 Amb2685316 [0,0,1,1,0,0|1,0,1]=4 7035 B11R1.167 Cc1ccc(Br)cc1C(=O)O Amb2610499 [0,0,1,1,0,0|1,0,1]=4 7036 B11R1.167 Cc1ccc(C)c(C(=O)O)c1 Amb6335835 [0,0,1,1,0,0|0,0,2]=4 7037 B11R1.167 Cc1ccc(Cl)c(C(=O)O)c1 Amb2686193 [0,0,1,1,0,0|1,0,1]=4 7038 B11R1.167 Cc1ccc(Cl)cc1C(=O)O Amb2686197 [0,0,1,1,0,0|1,0,1]=4 7039 B11R1.167 Cc1ccc(F)c(C(=O)O)c1 Amb2684161 [0,0,1,1,0,0|1,0,1]=4 7040 B11R1.167 Cc1ccc(F)cc1C(=O)O Amb1229971 [0,0,1,1,0,0|1,0,1]=4 7041 B11R1.167 Cc1ccc(I)c(C(=O)O)c1 Amb2688854 [0,0,1,1,0,0|1,0,1]=4 7042 B11R1.167 Cc1ccc(I)cc1C(=O)O Amb17835261 [0,0,1,1,0,0|1,0,1]=4 7043 B11R1.167 Cc1ccc(N)c(C(=O)O)c1 Amb1353188 [0,0,1,1,0,0|1,0,1]=4 7044 B11R1.167 Cc1ccc(N)cc1C(=O)O Amb2716204 [0,0,1,1,0,0|1,0,1]=4 7045 B11R1.167 Cc1ccc(O)c(C(=O)O)c1 Amb3429668 [0,0,1,1,0,0|1,0,1]=4 7046 B11R1.167 Cc1ccc(O)cc1C(=O)O Amb8384398 [0,0,1,1,0,0|1,0,1]=4 7047 B11R1.167 Cc1ccc(S)c(C(=O)O)c1 Amb18280213 [0,0,1,1,0,0|1,0,1]=4 7048 B11R1.167 Cc1ccc(S)cc1C(=O)O Amb25310962 [0,0,1,1,0,0|1,0,1]=4 7049 B11R1.167 Nc1ccc(Br)c(C(=O)O)c1 Amb6298248 [0,0,1,1,0,0|2,0,0]=4 7050 B11R1.167 Nc1ccc(Br)cc1C(=O)O Amb6364862 [0,0,1,1,0,0|2,0,0]=4 7051 B11R1.167 Nc1ccc(Cl)c(C(=O)O)c1 Amb2684371 [0,0,1,1,0,0|2,0,0]=4 7052 B11R1.167 Nc1ccc(Cl)cc1C(=O)O Amb1353189 [0,0,1,1,0,0|2,0,0]=4 7053 B11R1.167 Nc1ccc(Cl)cc1C(=O)O Amb2695796 [0,0,1,1,0,0|2,0,0]=4 7054 B11R1.167 Nc1ccc(F)c(C(=O)O)c1 Amb2684412 [0,0,1,1,0,0|2,0,0]=4 7055 B11R1.167 Nc1ccc(F)cc1C(=O)O Amb1104986 [0,0,1,1,0,0|2,0,0]=4 7056 B11R1.167 Nc1ccc(I)cc1C(=O)O Amb1233201 [0,0,1,1,0,0|2,0,0]=4 7057 B11R1.167 Nc1ccc(N)c(C(=O)O)c1 Amb4139702 [0,0,1,1,0,0|2,0,0]=4 7058 B11R1.167 Nc1ccc(N)c(C(=O)O)c1 Amb6874952 [0,0,1,1,0,0|2,0,0]=4 7059 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 Amb1072203 [0,0,1,1,0,0|2,0,0]=4 7060 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 Amb24081346 [0,0,1,1,0,0|2,0,0]=4 7061 B11R1.167 Nc1ccc(O)cc1C(=O)O Amb534955 [0,0,1,1,0,0|2,0,0]=4 7062 B11R1.167 Nc1ccc(S)c(C(=O)O)c1 Amb20620211 [0,0,1,1,0,0|2,0,0]=4 7063 B11R1.167 Nc1ccc(S)cc1C(=O)O Amb27614432 [0,0,1,1,0,0|2,0,0]=4 7064 B11R1.167 O=C(O)c1cc(Br)ccc1Br Amb3941526 [0,0,1,1,0,0|2,0,0]=4 7065 B11R1.167 O=C(O)c1cc(Br)ccc1Cl Amb264314 [0,0,1,1,0,0|2,0,0]=4 7066 B11R1.167 O=C(O)c1cc(Br)ccc1F Amb1233202 [0,0,1,1,0,0|2,0,0]=4 7067 B11R1.167 O=C(O)c1cc(Br)ccc1I Amb1107594 [0,0,1,1,0,0|2,0,0]=4 7068 B11R1.167 O=C(O)c1cc(Br)ccc1O Amb1934189 [0,0,1,1,0,0|2,0,0]=4 7069 B11R1.167 O=C(O)c1cc(Br)ccc1S Amb18134858 [0,0,1,1,0,0|2,0,0]=4 7070 B11R1.167 O=C(O)c1cc(Cl)ccc1Br Amb845609 [0,0,1,1,0,0|2,0,0]=4 7071 B11R1.167 O=C(O)c1cc(Cl)ccc1Cl Amb2099522 [0,0,1,1,0,0|2,0,0]=4 7072 B11R1.167 O=C(O)c1cc(Cl)ccc1F Amb1229906 [0,0,1,1,0,0|2,0,0]=4 7073 B11R1.167 O=C(O)c1cc(Cl)ccc1I Amb1133362 [0,0,1,1,0,0|2,0,0]=4 7074 B11R1.167 O=C(O)c1cc(Cl)ccc1O Amb3941495 [0,0,1,1,0,0|2,0,0]=4 7075 B11R1.167 O=C(O)c1cc(Cl)ccc1S Amb18279260 [0,0,1,1,0,0|2,0,0]=4 7076 B11R1.167 O=C(O)c1cc(F)ccc1Br Amb1228485 [0,0,1,1,0,0|2,0,0]=4 7077 B11R1.167 O=C(O)c1cc(F)ccc1Cl Amb2685949 [0,0,1,1,0,0|2,0,0]=4 7078 B11R1.167 O=C(O)c1cc(F)ccc1F Amb1214894 [0,0,1,1,0,0|2,0,0]=4 7079 B11R1.167 O=C(O)c1cc(F)ccc1I Amb5721972 [0,0,1,1,0,0|2,0,0]=4 7080 B11R1.167 O=C(O)c1cc(F)ccc1O Amb2688416 [0,0,1,1,0,0|2,0,0]=4 7081 B11R1.167 O=C(O)c1cc(F)ccc1S Amb10838443 [0,0,1,1,0,0|2,0,0]=4 7082 B11R1.167 O=C(O)c1cc(I)ccc1Br Amb1785330 [0,0,1,1,0,0|2,0,0]=4 7083 B11R1.167 O=C(O)c1cc(I)ccc1Cl Amb2686131 [0,0,1,1,0,0|2,0,0]=4 7084 B11R1.167 O=C(O)c1cc(I)ccc1F Amb2688124 [0,0,1,1,0,0|2,0,0]=4 7085 B11R1.167 O=C(O)c1cc(I)ccc1I Amb6848402 [0,0,1,1,0,0|2,0,0]=4 7086 B11R1.167 O=C(O)c1cc(I)ccc1O Amb3940317 [0,0,1,1,0,0|2,0,0]=4 7087 B11R1.167 O=C(O)c1cc(I)ccc1S Amb27166774 [0,0,1,1,0,0|2,0,0]=4 7088 B11R1.167 O=C(O)c1cc(O)ccc1Br Amb6297119 [0,0,1,1,0,0|2,0,0]=4 7089 B11R1.167 O=C(O)c1cc(O)ccc1Cl Amb6297059 [0,0,1,1,0,0|2,0,0]=4 7090 B11R1.167 O=C(O)c1cc(O)ccc1F Amb2684159 [0,0,1,1,0,0|2,0,0]=4 7091 B11R1.167 O=C(O)c1cc(O)ccc1I Amb17938038 [0,0,1,1,0,0|2,0,0]=4 7092 B11R1.167 O=C(O)c1cc(O)ccc1O Amb33779430 [0,0,1,1,0,0|2,0,0]=4 7093 B11R1.167 O=C(O)c1cc(O)ccc1O Amb6491145 [0,0,1,1,0,0|2,0,0]=4 7094 B11R1.167 O=C(O)c1cc(O)ccc1S Amb27390277 [0,0,1,1,0,0|2,0,0]=4 7095 B11R1.167 O=C(O)c1cc(S)ccc1Br Amb27248662 [0,0,1,1,0,0|2,0,0]=4 7096 B11R1.167 O=C(O)c1cc(S)ccc1Cl Amb20623491 [0,0,1,1,0,0|2,0,0]=4 7097 B11R1.167 O=C(O)c1cc(S)ccc1F Amb25152849 [0,0,1,1,0,0|2,0,0]=4 7098 B11R1.167 O=C(O)c1cc(S)ccc1I Amb26931773 [0,0,1,1,0,0|2,0,0]=4 7099 B11R1.167 O=C(O)c1cc(S)ccc1O Amb26481378 [0,0,1,1,0,0|2,0,0]=4 7100 B11R1.167 O=C(O)c1cc(S)ccc1S Amb25288094 [0,0,1,1,0,0|2,0,0]=4 7101 B11R1.497 NC(=O)C1=CC(=O)C=CC=C1 Amb25861229 [0,0,1,1,0,0|2,0,0]=4 7102 B11R2.1 BrC1=CCc2ccccc21 Amb26318514 [1,0,0,1,0,0|1,0,1]=4 7103 B11R2.1 Brc1ccc2ccccn12 Amb18061677 [1,0,0,1,0,0|2,0,0]=4 7104 B11R2.1 Brc1coc2ccccc12 Amb6344810 [1,0,0,1,0,0|2,0,0]=4 7105 B11R2.1 Brc1csc2ccccc12 Amb2720075 [1,0,0,1,0,0|2,0,0]=4 7106 B11R2.1 CC1=CCc2ccccc21 Amb17778909 [1,0,0,1,0,0|1,0,1]=4 7107 B11R2.1 CC1C=Cc2ccccc21 Amb17844052 [1,0,0,1,0,0|1,0,1]=4 7108 B11R2.1 Cc1ccc2ccccn12 Amb28126713 [1,0,0,1,0,0|2,0,0]=4 7109 B11R2.1 Cc1coc2ccccc12 Amb2684177 [1,0,0,1,0,0|2,0,0]=4 7110 B11R2.1 Cc1csc2ccccc12 Amb2689330 [1,0,0,1,0,0|2,0,0]=4 7111 B11R2.1 Clc1ccc2ccccn12 Amb27618437 [1,0,0,1,0,0|2,0,0]=4 7112 B11R2.1 Clc1coc2ccccc12 Amb21963868 [1,0,0,1,0,0|2,0,0]=4 7113 B11R2.1 Clc1csc2ccccc12 Amb5494165 [1,0,0,1,0,0|2,0,0]=4 7114 B11R2.1 Cln1ccc2ccccc21 Amb28050191 [1,0,0,1,0,0|2,0,0]=4 7115 B11R2.1 Cn1ccc2ccccc21 Amb6297777 [1,0,0,1,0,0|2,0,0]=4 7116 B11R2.1 Fc1csc2ccccc12 Amb27667159 [1,0,0,1,0,0|2,0,0]=4 7117 B11R2.1 Ic1coc2ccccc12 Amb24622374 [1,0,0,1,0,0|2,0,0]=4 7118 B11R2.1 Ic1csc2ccccc12 Amb22002561 [1,0,0,1,0,0|2,0,0]=4 7119 B11R2.1 NC1C=Cc2ccccc21 Amb17470367 [1,0,0,1,0,0|1,0,1]=4 7120 B11R2.1 Nc1ccc2ccccn12 Amb18061678 [1,0,0,1,0,0|2,0,0]=4 7121 B11R2.1 Nc1ccn2ccccc12 Amb28119363 [1,0,0,1,0,0|2,0,0]=4 7122 B11R2.1 Nc1coc2ccccc12 Amb24371464 [1,0,0,1,0,0|2,0,0]=4 7123 B11R2.1 Nc1csc2ccccc12 Amb13890519 [1,0,0,1,0,0|2,0,0]=4 7124 B11R2.1 Nc1csc2ccccc12 Amb19957699 [1,0,0,1,0,0|2,0,0]=4 7125 B11R2.1 Nn1ccc2ccccc21 Amb16233739 [1,0,0,1,0,0|2,0,0]=4 7126 B11R2.1 O=C1C=Cc2ccccc21 Amb10603436 [1,0,0,1,0,0|0,0,0]=2 7127 B11R2.1 O=C1CCc2ccccc21 Amb6458950 [1,0,0,1,0,0|0,0,2]=4 7128 B11R2.1 O=C1CNc2ccccc21 Amb17593399 [1,0,0,1,0,0|1,0,1]=4 7129 B11R2.1 O=C1COc2ccccc21 Amb33534383 [1,0,0,1,0,0|1,0,1]=4 7130 B11R2.1 O=C1CSc2ccccc21 Amb4062421 [1,0,0,1,0,0|1,0,1]=4 7131 B11R2.1 O=C1N=Cc2ccccc21 Amb25265062 [1,0,0,1,0,0|1,0,0]=3 7132 B11R2.1 O=C1N=Cc2ccncc21 Amb28252569 [1,0,0,1,0,0|2,0,0]=4 7133 B11R2.1 O=C1NC=C2C=CC=CN12 Amb26008108 [1,0,0,1,0,0|2,0,0]=4 7134 B11R2.1 O=C1NCc2ccccc21 Amb773532 [1,0,0,1,0,0|1,0,1]=4 7135 B11R2.1 O=C1NNc2ccccc21 Amb19514505 [1,0,0,1,0,0|2,0,0]=4 7136 B11R2.1 O=C1NSc2ccccc21 Amb17933279 [1,0,0,1,0,0|2,0,0]=4 7137 B11R2.1 O=C1OCc2ccccc21 Amb2610613 [1,0,0,1,0,0|1,0,1]=4 7138 B11R2.1 O=C1ONc2ccccc21 Amb26994489 [1,0,0,1,0,0|2,0,0]=4 7139 B11R2.1 O=C1SCc2ccccc21 Amb2421358 [1,0,0,1,0,0|1,0,1]=4 7140 B11R2.1 O=C1SNc2ccccc21 Amb19416440 [1,0,0,1,0,0|2,0,0]=4 7141 B11R2.1 O=s1ccc2ccccc21 Amb24078341 [1,0,0,1,0,0|1,0,0]=3 7142 B11R2.1 OC1C=Cc2ccccc21 Amb24479258 [1,0,0,1,0,0|0,0,1]=3 7143 B11R2.1 OC1N=Cc2ccccc21 Amb27631731 [1,0,0,1,0,0|1,0,1]=4 7144 B11R2.1 Oc1ccc2cnccn12 Amb28201971 [1,0,0,1,0,0|2,0,0]=4 7145 B11R2.1 Oc1cnc2ccccn12 Amb24074110 [1,0,0,1,0,0|2,0,0]=4 7146 B11R2.1 Oc1cnn2ccccc12 Amb25359066 [1,0,0,1,0,0|2,0,0]=4 7147 B11R2.1 Oc1coc2ccccc12 Amb24097480 [1,0,0,1,0,0|1,0,0]=3 7148 B11R2.1 Oc1coc2cccnc12 Amb21963453 [1,0,0,1,0,0|2,0,0]=4 7149 B11R2.1 Oc1coc2cccnc12 Amb33996728 [1,0,0,1,0,0|2,0,0]=4 7150 B11R2.1 Oc1csc2ccccc12 Amb4009443 [1,0,0,1,0,0|1,0,0]=3 7151 B11R2.1 Oc1csc2cnccc12 Amb32669775 [1,0,0,1,0,0|2,0,0]=4 7152 B11R2.1 Oc1csc2ncccc12 Amb26464103 [1,0,0,1,0,0|2,0,0]=4 7153 B11R2.1 Oc1noc2ccccc12 Amb2725155 [1,0,0,1,0,0|2,0,0]=4 7154 B11R2.1 Oc1nsc2ccccc12 Amb22166851 [1,0,0,1,0,0|2,0,0]=4 7155 B11R2.1 On1ccc2ccccc21 Amb27243885 [1,0,0,1,0,0|1,0,0]=3 7156 B11R2.1 On1ccc2cccnc21 Amb25858298 [1,0,0,1,0,0|2,0,0]=4 7157 B11R2.1 On1cnc2ccccc21 Amb28318444 [1,0,0,1,0,0|2,0,0]=4 7158 B11R2.1 Sc1coc2ccccc12 Amb24061893 [1,0,0,1,0,0|1,1,0]=4 7159 B11R2.1 Sc1csc2ccccc12 Amb24396652 [1,0,0,1,0,0|1,1,0]=4 7160 B11R2.4 CC1=C(c2ccccc2)N1 Amb28194853 [1,0,0,1,0,0|2,0,0]=4 7161 B11R2.20 C1=CCc2ccccc2C1 Amb8392372 [1,0,0,1,0,0|1,0,1]=4 7162 B11R2.20 C1=COC2=CN=CNC2=C1 Amb24564703 [1,0,0,1,0,0|2,0,0]=4 7163 B11R2.20 C1=COc2ccccc2N1 Amb27828258 [1,0,0,1,0,0|1,0,0]=3 7164 B11R2.20 C1=COc2cccnc2C1 Amb27860347 [1,0,0,1,0,0|1,0,1]=4 7165 B11R2.20 C1=COc2cccnc2N1 Amb27403264 [1,0,0,1,0,0|2,0,0]=4 7166 B11R2.20 C1=COc2ccncc2C1 Amb28050276 [1,0,0,1,0,0|1,0,1]=4 7167 B11R2.20 C1=Cc2ccccc2CC1 Amb1162229 [1,0,0,1,0,0|1,0,1]=4 7168 B11R2.20 C1=Cc2ccccc2CN1 Amb25999205 [1,0,0,1,0,0|2,0,0]=4 7169 B11R2.20 C1=Cc2ccccc2CO1 Amb27473263 [1,0,0,1,0,0|2,0,0]=4 7170 B11R2.20 C1=Cc2ccccc2NC1 Amb17593383 [1,0,0,1,0,0|1,0,1]=4 7171 B11R2.20 C1=Cc2ccccc2OC1 Amb17844055 [1,0,0,1,0,0|0,0,1]=3 7172 B11R2.20 C1=Cc2ccccc2SC1 Amb27494059 [1,0,0,1,0,0|0,1,1]=4 7173 B11R2.20 C1=Nc2ccccc2OC1 Amb28456926 [1,0,0,1,0,0|1,0,1]=4 7174 B11R2.20 c1cc[n+]2cccnc2c1 Amb2603162 [1,0,0,1,0,0|2,0,0]=4 7175 B11R2.20 c1ccc2[nH+]cccc2c1 Amb10839799 [1,0,0,1,0,0|1,0,0]=3 7176 B11R2.20 c1ccc2ccccc2c1 Amb6608803 [1,0,0,1,0,0|1,0,0]=3 7177 B11R2.20 c1ccc2cnccc2c1 Amb2609970 [1,0,0,1,0,0|2,0,0]=4 7178 B11R2.20 c1ccc2ncccc2c1 Amb22002632 [1,0,0,1,0,0|1,0,0]=3 7179 B11R2.20 c1ccc2ncccc2c1 Amb2610545 [1,0,0,1,0,0|1,0,0]=3 7180 B11R2.20 c1ccc2nccnc2c1 Amb2099438 [1,0,0,1,0,0|2,0,0]=4 7181 B11R2.20 c1ccc2ncncc2c1 Amb2609962 [1,0,0,1,0,0|2,0,0]=4 7182 B11R2.20 c1ccc2nnccc2c1 Amb21858429 [1,0,0,1,0,0|2,0,0]=4 7183 B11R2.20 c1ccc2nnccc2c1 Amb22001549 [1,0,0,1,0,0|2,0,0]=4 7184 B11R2.20 c1cnc2cccnc2c1 Amb1106274 [1,0,0,1,0,0|2,0,0]=4 7185 B11R2.20 c1cnc2ccncc2c1 Amb6565155 [1,0,0,1,0,0|2,0,0]=4 7186 B11R2.20 c1cnc2cnccc2c1 Amb4560929 [1,0,0,1,0,0|2,0,0]=4 7187 B11R2.20 c1cnc2ncccc2c1 Amb15692873 [1,0,0,1,0,0|2,0,0]=4 7188 B11R2.238 C(=C1CC1)c2ccccc2 Amb19515480 [1,0,0,1,0,0|1,0,1]=4 7189 B11R2.238 C1=C(Cc2ccccc2)C1 Amb27421346 [1,0,0,1,0,0|1,0,1]=4 7190 B11R2.988 CCC1=Cc2ccccc21 Amb27641412 [1,0,0,1,0,0|1,0,1]=4 7191 B11R2.988 COC1=Cc2ccccc21 Amb27267205 [1,0,0,1,0,0|2,0,0]=4 7192 B11R2.988 N#CC1=Cc2ccccc21 Amb22227852 [1,0,0,1,0,0|1,0,1]=4 7193 B11R2.988 O=CC1Cc2ccccc21 Amb16230472 [1,0,0,1,0,0|0,0,2]=4 7194 B11R2.988 O\N=C1/Cc2ccccc21 Amb3862130 [1,0,0,1,0,0|1,0,1]=4 7195 B11R2.10 BrC1=Cc2ccccc2C1 Amb8517387 [0,0,0,1,1,0|2,0,0]=4 7196 B11R2.10 Brc1cc2ccccc2o1 Amb2723106 [0,0,0,1,1,0|1,0,0]=3 7197 B11R2.10 Brc1cc2ccccc2s1 Amb2723178 [0,0,0,1,1,0|1,1,0]=4 7198 B11R2.10 Brc1cc2cnccc2o1 Amb18187766 [0,0,0,1,1,0|2,0,0]=4 7199 B11R2.10 Brc1cc2ncccc2o1 Amb25133797 [0,0,0,1,1,0|2,0,0]=4 7200 B11R2.10 Brc1cc2ncccc2o1 Amb32683420 [0,0,0,1,1,0|2,0,0]=4 7201 B11R2.10 Brc1nc2ccccc2o1 Amb19054929 [0,0,0,1,1,0|2,0,0]=4 7202 B11R2.10 CC1=Cc2ccccc2C1 Amb15692403 [0,0,0,1,1,0|2,0,0]=4 7203 B11R2.10 Cc1cc2ccccc2o1 Amb20621560 [0,0,0,1,1,0|1,0,0]=3 7204 B11R2.10 Cc1cc2ccccc2s1 Amb2237023 [0,0,0,1,1,0|1,1,0]=4 7205 B11R2.10 Cc1cc2cccnc2o1 Amb25299352 [0,0,0,1,1,0|2,0,0]=4 7206 B11R2.10 Cc1cc2cnccc2o1 Amb23590993 [0,0,0,1,1,0|2,0,0]=4 7207 B11R2.10 Cc1nc2ccccc2o1 Amb2599323 [0,0,0,1,1,0|2,0,0]=4 7208 B11R2.10 ClC1=Cc2ccccc2C1 Amb22752069 [0,0,0,1,1,0|2,0,0]=4 7209 B11R2.10 Clc1cc2ccccc2o1 Amb24104234 [0,0,0,1,1,0|1,0,0]=3 7210 B11R2.10 Clc1cc2ccncc2o1 Amb28126707 [0,0,0,1,1,0|2,0,0]=4 7211 B11R2.10 Clc1nc2ccccc2o1 Amb1106378 [0,0,0,1,1,0|2,0,0]=4 7212 B11R2.10 Ic1cc2ccccc2o1 Amb24482100 [0,0,0,1,1,0|1,0,0]=3 7213 B11R2.10 Ic1cc2ccccc2s1 Amb22896395 [0,0,0,1,1,0|1,1,0]=4 7214 B11R2.10 Nc1cc2ccccc2s1 Amb17593717 [0,0,0,1,1,0|1,1,0]=4 7215 B11R2.10 Nc1cc2cnccc2o1 Amb18203158 [0,0,0,1,1,0|2,0,0]=4 7216 B11R2.10 Nc1nc2ccccc2o1 Amb1153977 [0,0,0,1,1,0|2,0,0]=4 7217 B11R2.10 O=C1C=C2C=CC=CC2=N1 Amb24620213 [0,0,0,1,1,0|1,0,0]=3 7218 B11R2.10 O=C1C=C2C=CC=CN2C1 Amb28126717 [0,0,0,1,1,0|2,0,0]=4 7219 B11R2.10 O=C1C=C2C=CC=CN2N1 Amb21858515 [0,0,0,1,1,0|2,0,0]=4 7220 B11R2.10 O=C1C=C2C=COC=C2O1 Amb19132425 [0,0,0,1,1,0|1,0,0]=3 7221 B11R2.10 O=C1Cc2ccccc2C1 Amb1227714 [0,0,0,1,1,0|1,0,1]=4 7222 B11R2.10 O=C1Cc2ccccc2N1 Amb1351379 [0,0,0,1,1,0|1,0,1]=4 7223 B11R2.10 O=C1Cc2ccccc2O1 Amb2781615 [0,0,0,1,1,0|0,0,1]=3 7224 B11R2.10 O=C1Nc2ccccc2N1 Amb18375774 [0,0,0,1,1,0|2,0,0]=4 7225 B11R2.10 O=C1Nc2ccccc2O1 Amb18043097 [0,0,0,1,1,0|1,0,0]=3 7226 B11R2.10 O=C1Nc2ccccc2S1 Amb17933260 [0,0,0,1,1,0|1,1,0]=4 7227 B11R2.10 O=C1Nc2cccnc2O1 Amb18560583 [0,0,0,1,1,0|2,0,0]=4 7228 B11R2.10 O=C1Nc2ccncc2O1 Amb22233917 [0,0,0,1,1,0|2,0,0]=4 7229 B11R2.10 O=C1Nc2ncccc2O1 Amb17933371 [0,0,0,1,1,0|2,0,0]=4 7230 B11R2.10 O=C1O[n+]2ccccc2S1 Amb20662459 [0,0,0,1,1,0|2,0,0]=4 7231 B11R2.10 O=C1Oc2cccc[n+]2S1 Amb24472982 [0,0,0,1,1,0|2,0,0]=4 7232 B11R2.10 O=C1Oc2ccccc2O1 Amb19514273 [0,0,0,1,1,0|1,0,0]=3 7233 B11R2.10 Oc1cc2ccccc2s1 Amb24518934 [0,0,0,1,1,0|0,1,0]=3 7234 B11R2.10 Oc1cc2ccccn2c1 Amb27841533 [0,0,0,1,1,0|2,0,0]=4 7235 B11R2.10 Oc1cc2ncccc2o1 Amb28385482 [0,0,0,1,1,0|1,0,1]=4 7236 B11R2.10 Oc1cn2ccccc2n1 Amb19515773 [0,0,0,1,1,0|2,0,0]=4 7237 B11R2.10 S=C1Nc2ccccc2O1 Amb18799383 [0,0,0,1,1,0|1,1,0]=4 7238 B11R2.10 S=C1Oc2ccccc2O1 Amb22363540 [0,0,0,1,1,0|1,1,0]=4 7239 B11R2.10 S=C1Oc2ccccc2S1 Amb27839135 [0,0,0,1,1,0|1,1,0]=4 7240 B11R2.10 Sc1cc2ccccc2s1 Amb24105482 [0,0,0,1,1,0|0,2,0]=4 7241 B11R2.10 Sc1nc2ccccc2o1 Amb17570013 [0,0,0,1,1,0|1,1,0]=4 7242 B11R2.10 [SH3]c1nc2ccccc2o1 Amb18046725 [0,0,0,1,1,0|1,1,0]=4 7243 B11R2.36 O=C1C=Cc2ccsc2N1 Amb24417184 [0,0,0,1,1,0|2,0,0]=4 7244 B11R2.36 O=C1C=Cc2sccc2N1 Amb28206306 [0,0,0,1,1,0|2,0,0]=4 7245 B11R2.36 O=c1ccc2ccsc2o1 Amb5720014 [0,0,0,1,1,0|1,0,0]=3 7246 B11R2.36 O=c1ccc2sccc2o1 Amb5719894 [0,0,0,1,1,0|1,0,0]=3 7247 B11R2.36 Oc1ccc2c(c1)C=CC2 Amb18124353 [0,0,0,1,1,0|1,0,1]=4 7248 B11R2.36 Oc1ccc2ccoc2c1 Amb18124404 [0,0,0,1,1,0|2,0,0]=4 7249 B11R2.36 Oc1ccc2ccsc2c1 Amb18644429 [0,0,0,1,1,0|2,0,0]=4 7250 B11R2.36 Oc1ccc2occc2c1 Amb16185813 [0,0,0,1,1,0|2,0,0]=4 7251 B11R2.36 Oc1ccc2sccc2c1 Amb18644430 [0,0,0,1,1,0|2,0,0]=4 7252 B13R2.10 Brc1cc(-c2ccccc2)co1 Amb10600637 [0,0,0,1,0,1|2,0,0]=4 7253 B13R2.10 Brc1cc(-c2ccccc2)cs1 Amb2642792 [0,0,0,1,0,1|2,0,0]=4 7254 B13R2.10 Brc1ccc(-c2ccccc2)o1 Amb10600634 [0,0,0,1,0,1|1,0,0]=3 7255 B13R2.10 Brc1ccc(-c2ccccc2)s1 Amb2723158 [0,0,0,1,0,1|1,1,0]=4 7256 B13R2.10 Brc1ccc(-c2ccccn2)o1 Amb24318779 [0,0,0,1,0,1|2,0,0]=4 7257 B13R2.10 Brc1ccc(-c2ccncc2)o1 Amb24318780 [0,0,0,1,0,1|2,0,0]=4 7258 B13R2.10 Brc1ccn(-c2ccccc2)n1 Amb23539556 [0,0,0,1,0,1|2,0,0]=4 7259 B13R2.10 Brc1cnc(-c2ccccc2)o1 Amb21864613 [0,0,0,1,0,1|1,0,0]=3 7260 B13R2.10 Brc1cnc(-c2ccccc2)s1 Amb10600205 [0,0,0,1,0,1|1,1,0]=4 7261 B13R2.10 Brc1coc(-c2ccccc2)n1 Amb22235329 [0,0,0,1,0,1|2,0,0]=4 7262 B13R2.10 Brc1csc(-c2ccccc2)n1 Amb10599940 [0,0,0,1,0,1|2,0,0]=4 7263 B13R2.10 Brc1nc(-c2ccccc2)co1 Amb28400187 [0,0,0,1,0,1|2,0,0]=4 7264 B13R2.10 Brc1nc(-c2ccccc2)cs1 Amb7173223 [0,0,0,1,0,1|2,0,0]=4 7265 B13R2.10 Brc1ncc(-c2ccccc2)o1 Amb19957820 [0,0,0,1,0,1|1,0,0]=3 7266 B13R2.10 Brc1ncc(-c2ccccc2)s1 Amb13884282 [0,0,0,1,0,1|1,1,0]=4 7267 B13R2.10 Brc1ncc(-c2ccccn2)o1 Amb27242479 [0,0,0,1,0,1|2,0,0]=4 7268 B13R2.10 Brc1ncc(-c2cccnc2)o1 Amb25876781 [0,0,0,1,0,1|2,0,0]=4 7269 B13R2.10 Brc1ncc(-c2ccncc2)o1 Amb26514083 [0,0,0,1,0,1|2,0,0]=4 7270 B13R2.10 Brc1nnc(-c2ccccc2)o1 Amb33526436 [0,0,0,1,0,1|2,0,0]=4 7271 B13R2.10 Cc1ccc(-c2cccnc2)o1 Amb28044106 [0,0,0,1,0,1|2,0,0]=4 7272 B13R2.10 Cc1ccn(-c2ccccc2)n1 Amb1834349 [0,0,0,1,0,1|2,0,0]=4 7273 B13R2.10 Cc1cnc(-c2ccccc2)s1 Amb24674111 [0,0,0,1,0,1|1,1,0]=4 7274 B13R2.10 Cc1cnc(-c2cccnc2)o1 Amb28292404 [0,0,0,1,0,1|2,0,0]=4 7275 B13R2.10 Cc1coc(-c2ccccc2)n1 Amb7990046 [0,0,0,1,0,1|2,0,0]=4 7276 B13R2.10 Cc1csc(-c2ccccc2)c1 Amb2778539 [0,0,0,1,0,1|2,0,0]=4 7277 B13R2.10 Cc1csc(-c2ccccc2)n1 Amb6357520 [0,0,0,1,0,1|2,0,0]=4 7278 B13R2.10 Cc1nc(-c2ccccc2)co1 Amb17400054 [0,0,0,1,0,1|2,0,0]=4 7279 B13R2.10 Cc1nc(-c2ccccc2)cs1 Amb6367662 [0,0,0,1,0,1|2,0,0]=4 7280 B13R2.10 Cc1ncc(-c2ccccc2)o1 Amb4139870 [0,0,0,1,0,1|1,0,0]=3 7281 B13R2.10 Cc1ncc(-c2ccccn2)o1 Amb27219458 [0,0,0,1,0,1|2,0,0]=4 7282 B13R2.10 Cc1ncc(-c2ccncc2)o1 Amb28125630 [0,0,0,1,0,1|2,0,0]=4 7283 B13R2.10 Clc1ccc(-c2ccccc2)s1 Amb27643261 [0,0,0,1,0,1|1,1,0]=4 7284 B13R2.10 Clc1ccn(-c2ccccc2)n1 Amb4381304 [0,0,0,1,0,1|2,0,0]=4 7285 B13R2.10 Clc1cnc(-c2ccccc2)s1 Amb4165851 [0,0,0,1,0,1|1,1,0]=4 7286 B13R2.10 Clc1coc(-c2ccccc2)c1 Amb28401506 [0,0,0,1,0,1|2,0,0]=4 7287 B13R2.10 Clc1nc(-c2ccccc2)cs1 Amb2691802 [0,0,0,1,0,1|2,0,0]=4 7288 B13R2.10 Clc1ncc(-c2ccccc2)o1 Amb8388263 [0,0,0,1,0,1|1,0,0]=3 7289 B13R2.10 Clc1ncc(-c2ccccc2)s1 Amb19043533 [0,0,0,1,0,1|1,1,0]=4 7290 B13R2.10 Clc1nnc(-c2ccccc2)o1 Amb18564157 [0,0,0,1,0,1|2,0,0]=4 7291 B13R2.10 Fc1ccc(-c2ccccc2)s1 Amb2611434 [0,0,0,1,0,1|1,1,0]=4 7292 B13R2.10 Fc1ccn(-c2ccccc2)c1 Amb25152299 [0,0,0,1,0,1|2,0,0]=4 7293 B13R2.10 Fc1cnc(-c2ccccc2)o1 Amb25083271 [0,0,0,1,0,1|1,0,0]=3 7294 B13R2.10 Ic1ccc(-c2ccccc2)s1 Amb22482828 [0,0,0,1,0,1|1,1,0]=4 7295 B13R2.10 Ic1ccn(-c2ccccc2)n1 Amb19149126 [0,0,0,1,0,1|2,0,0]=4 7296 B13R2.10 Ic1cnc(-c2ccccc2)s1 Amb22448167 [0,0,0,1,0,1|1,1,0]=4 7297 B13R2.10 Ic1nc(-c2ccccc2)co1 Amb25095972 [0,0,0,1,0,1|2,0,0]=4 7298 B13R2.10 Ic1ncc(-c2ccccc2)o1 Amb22500852 [0,0,0,1,0,1|1,0,0]=3 7299 B13R2.10 Ic1ncc(-c2cccnc2)o1 Amb25743955 [0,0,0,1,0,1|2,0,0]=4 7300 B13R2.10 Ic1ncc(-c2ccncc2)o1 Amb25194759 [0,0,0,1,0,1|2,0,0]=4 7301 B13R2.10 NC1=CC(c2ccccc2)=CC1 Amb27179592 [0,0,0,1,0,1|2,0,0]=4 7302 B13R2.10 Nc1cc(-c2ccccc2)co1 Amb10600638 [0,0,0,1,0,1|2,0,0]=4 7303 B13R2.10 Nc1cc(-c2ccccc2)cs1 Amb10600636 [0,0,0,1,0,1|2,0,0]=4 7304 B13R2.10 Nc1ccc(-c2ccccc2)o1 Amb10600635 [0,0,0,1,0,1|1,0,0]=3 7305 B13R2.10 Nc1ccc(-c2ccccc2)s1 Amb10600633 [0,0,0,1,0,1|1,1,0]=4 7306 B13R2.10 Nc1ccn(-c2ccccc2)c1 Amb26464063 [0,0,0,1,0,1|2,0,0]=4 7307 B13R2.10 Nc1ccn(-c2ccccc2)n1 Amb1028245 [0,0,0,1,0,1|2,0,0]=4 7308 B13R2.10 Nc1ccn(-c2ccccc2)n1 Amb8564022 [0,0,0,1,0,1|2,0,0]=4 7309 B13R2.10 Nc1cnc(-c2ccccc2)o1 Amb18563482 [0,0,0,1,0,1|1,0,0]=3 7310 B13R2.10 Nc1cnc(-c2ccccc2)s1 Amb10600206 [0,0,0,1,0,1|1,1,0]=4 7311 B13R2.10 Nc1cnc(-c2ccccn2)o1 Amb18563512 [0,0,0,1,0,1|2,0,0]=4 7312 B13R2.10 Nc1cnc(-c2cccnc2)o1 Amb18563513 [0,0,0,1,0,1|2,0,0]=4 7313 B13R2.10 Nc1cnc(-c2ccncc2)o1 Amb18563514 [0,0,0,1,0,1|2,0,0]=4 7314 B13R2.10 Nc1coc(-c2ccccc2)n1 Amb28126972 [0,0,0,1,0,1|2,0,0]=4 7315 B13R2.10 Nc1csc(-c2ccccc2)n1 Amb10599942 [0,0,0,1,0,1|2,0,0]=4 7316 B13R2.10 Nc1csc(-c2ccccc2)n1 Amb32664885 [0,0,0,1,0,1|2,0,0]=4 7317 B13R2.10 Nc1nc(-c2ccccc2)co1 Amb33529509 [0,0,0,1,0,1|2,0,0]=4 7318 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb18090789 [0,0,0,1,0,1|2,0,0]=4 7319 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb6317061 [0,0,0,1,0,1|2,0,0]=4 7320 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb6366077 [0,0,0,1,0,1|2,0,0]=4 7321 B13R2.10 Nc1nc(-c2ccccc2)cs1 Amb6878777 [0,0,0,1,0,1|2,0,0]=4 7322 B13R2.10 Nc1ncc(-c2ccccc2)o1 Amb16226165 [0,0,0,1,0,1|1,0,0]=3 7323 B13R2.10 Nc1ncc(-c2ccccc2)s1 Amb1109536 [0,0,0,1,0,1|1,1,0]=4 7324 B13R2.10 Nc1ncc(-c2ccccn2)o1 Amb23401930 [0,0,0,1,0,1|2,0,0]=4 7325 B13R2.10 Nc1ncc(-c2cccnc2)o1 Amb23401903 [0,0,0,1,0,1|2,0,0]=4 7326 B13R2.10 Nc1ncc(-c2ccncc2)o1 Amb23401902 [0,0,0,1,0,1|2,0,0]=4 7327 B13R2.10 Nc1nnc(-c2ccccc2)o1 Amb6315854 [0,0,0,1,0,1|2,0,0]=4 7328 B13R2.10 O=C1C=C(c2ccccc2)CC1 Amb10669546 [0,0,0,1,0,1|1,0,1]=4 7329 B13R2.10 O=C1C=C(c2ccccc2)CN1 Amb25881513 [0,0,0,1,0,1|1,0,1]=4 7330 B13R2.10 O=C1C=C(c2ccccc2)CO1 Amb24633865 [0,0,0,1,0,1|1,0,1]=4 7331 B13R2.10 O=C1C=C(c2ccccc2)NN1 Amb18800327 [0,0,0,1,0,1|2,0,0]=4 7332 B13R2.10 O=C1C=C(c2ccccc2)SC1 Amb27164569 [0,0,0,1,0,1|1,0,1]=4 7333 B13R2.10 O=C1C=C(c2ccccc2)SS1 Amb19517525 [0,0,0,1,0,1|2,0,0]=4 7334 B13R2.10 O=C1C=CC(c2ccccn2)O1 Amb26656706 [0,0,0,1,0,1|1,0,0]=3 7335 B13R2.10 O=C1C=CC(c2cccnc2)O1 Amb26357496 [0,0,0,1,0,1|1,0,0]=3 7336 B13R2.10 O=C1C=CC(c2ccncc2)O1 Amb28205511 [0,0,0,1,0,1|1,0,0]=3 7337 B13R2.10 O=C1C=CN(c2ccccc2)C1 Amb4010318 [0,0,0,1,0,1|1,0,0]=3 7338 B13R2.10 O=C1C=CN(c2ccccc2)N1 Amb19754125 [0,0,0,1,0,1|1,0,0]=3 7339 B13R2.10 O=C1C=CN(c2ccncc2)N1 Amb25061759 [0,0,0,1,0,1|2,0,0]=4 7340 B13R2.10 O=C1C=CN(c2ccncc2)N1 Amb31217551 [0,0,0,1,0,1|2,0,0]=4 7341 B13R2.10 O=C1C=C[C@H](c2ccccc2)C1 Amb27177992 [0,0,0,1,0,1|1,0,0]=3 7342 B13R2.10 O=C1CC(c2ccccc2)=NN1 Amb2731501 [0,0,0,1,0,1|2,0,0]=4 7343 B13R2.10 O=C1CC(c2ccccc2)=NO1 Amb622006 [0,0,0,1,0,1|2,0,0]=4 7344 B13R2.10 O=C1CCC(c2ccccc2)O1 Amb4393092 [0,0,0,1,0,1|0,0,2]=4 7345 B13R2.10 O=C1CC[C@H](c2ccccc2)O1 Amb28437127 [0,0,0,1,0,1|0,0,2]=4 7346 B13R2.10 O=C1CN=C(c2ccccc2)N1 Amb17842816 [0,0,0,1,0,1|1,0,1]=4 7347 B13R2.10 O=C1CN=C(c2ccccc2)O1 Amb3987291 [0,0,0,1,0,1|0,0,1]=3 7348 B13R2.10 O=C1CNC(c2ccccc2)O1 Amb26032124 [0,0,0,1,0,1|0,0,2]=4 7349 B13R2.10 O=C1COC(c2ccccc2)=N1 Amb27606825 [0,0,0,1,0,1|1,0,1]=4 7350 B13R2.10 O=C1CSC(c2ccccc2)=N1 Amb16231550 [0,0,0,1,0,1|1,0,1]=4 7351 B13R2.10 O=C1CSC(c2ccccc2)=N1 Amb2384341 [0,0,0,1,0,1|1,0,1]=4 7352 B13R2.10 O=C1CSC(c2ccccc2)O1 Amb25793869 [0,0,0,1,0,1|0,0,2]=4 7353 B13R2.10 O=C1N=C(c2ccccc2)NN1 Amb22520685 [0,0,0,1,0,1|2,0,0]=4 7354 B13R2.10 O=C1N=C(c2ccccc2)ON1 Amb26446802 [0,0,0,1,0,1|2,0,0]=4 7355 B13R2.10 O=C1N=C(c2ccccc2)SS1 Amb24467190 [0,0,0,1,0,1|2,0,0]=4 7356 B13R2.10 O=C1N=CN(c2ccccc2)N1 Amb22748744 [0,0,0,1,0,1|2,0,0]=4 7357 B13R2.10 O=C1NC(c2ccccc2)=CS1 Amb18808971 [0,0,0,1,0,1|1,0,0]=3 7358 B13R2.10 O=C1NC(c2ccccc2)=NO1 Amb18788105 [0,0,0,1,0,1|2,0,0]=4 7359 B13R2.10 O=C1NC(c2ccccc2)=NS1 Amb22432316 [0,0,0,1,0,1|2,0,0]=4 7360 B13R2.10 O=C1NC(c2ccccn2)=CS1 Amb19372938 [0,0,0,1,0,1|2,0,0]=4 7361 B13R2.10 O=C1NC(c2cccnc2)=CS1 Amb18809057 [0,0,0,1,0,1|2,0,0]=4 7362 B13R2.10 O=C1NC(c2ccncc2)=CS1 Amb18809058 [0,0,0,1,0,1|2,0,0]=4 7363 B13R2.10 O=C1NC=C(c2ccccc2)N1 Amb19516863 [0,0,0,1,0,1|1,0,0]=3 7364 B13R2.10 O=C1NC=C(c2ccccc2)S1 Amb18808972 [0,0,0,1,0,1|0,1,0]=3 7365 B13R2.10 O=C1NC=C(c2ccccn2)N1 Amb27974567 [0,0,0,1,0,1|2,0,0]=4 7366 B13R2.10 O=C1NC=C(c2cccnc2)N1 Amb27175617 [0,0,0,1,0,1|2,0,0]=4 7367 B13R2.10 O=C1NC=C(c2ccncc2)N1 Amb27616748 [0,0,0,1,0,1|2,0,0]=4 7368 B13R2.10 O=C1NCC(c2ccccc2)O1 Amb16232576 [0,0,0,1,0,1|0,0,2]=4 7369 B13R2.10 O=C1NC[C@@H](c2ccccc2)O1 Amb24574681 [0,0,0,1,0,1|0,0,2]=4 7370 B13R2.10 O=C1NN=C(c2ccccc2)O1 Amb19654483 [0,0,0,1,0,1|1,0,0]=3 7371 B13R2.10 O=C1NN=C(c2ccccc2)S1 Amb27225981 [0,0,0,1,0,1|1,1,0]=4 7372 B13R2.10 O=C1NN=C(c2ccncc2)O1 Amb21884227 [0,0,0,1,0,1|2,0,0]=4 7373 B13R2.10 O=C1OCC(c2ccccc2)O1 Amb27790954 [0,0,0,1,0,1|0,0,2]=4 7374 B13R2.10 O=C1SC=C(c2ccccc2)S1 Amb21993101 [0,0,0,1,0,1|0,1,0]=3 7375 B13R2.10 O[C@H]1C=C[C@@H](c2ccccc2)C1 Amb27208211 [0,0,0,1,0,1|1,0,1]=4 7376 B13R2.10 Oc1cc(-c2ccccc2)cs1 Amb20617906 [0,0,0,1,0,1|1,0,0]=3 7377 B13R2.10 Oc1cc(-c2ccccc2)no1 Amb6889229 [0,0,0,1,0,1|2,0,0]=4 7378 B13R2.10 Oc1cc(-c2ccccc2)on1 Amb10553149 [0,0,0,1,0,1|2,0,0]=4 7379 B13R2.10 Oc1ccc(-c2ccccc2)s1 Amb20617905 [0,0,0,1,0,1|0,1,0]=3 7380 B13R2.10 Oc1ccn(-c2ccccn2)n1 Amb25237304 [0,0,0,1,0,1|2,0,0]=4 7381 B13R2.10 Oc1ccn(-c2cccnc2)n1 Amb32657030 [0,0,0,1,0,1|2,0,0]=4 7382 B13R2.10 Oc1cnc(-c2ccccc2)s1 Amb10600207 [0,0,0,1,0,1|0,1,0]=3 7383 B13R2.10 Oc1cnc(-c2ccccn2)s1 Amb10600840 [0,0,0,1,0,1|1,1,0]=4 7384 B13R2.10 Oc1cnc(-c2cccnc2)s1 Amb10600843 [0,0,0,1,0,1|1,1,0]=4 7385 B13R2.10 Oc1cnc(-c2ccncc2)s1 Amb10600846 [0,0,0,1,0,1|1,1,0]=4 7386 B13R2.10 Oc1cnn(-c2ccccc2)c1 Amb8503688 [0,0,0,1,0,1|2,0,0]=4 7387 B13R2.10 Oc1csc(-c2ccccc2)n1 Amb2608744 [0,0,0,1,0,1|1,0,0]=3 7388 B13R2.10 Oc1csc(-c2ccccn2)n1 Amb10600772 [0,0,0,1,0,1|2,0,0]=4 7389 B13R2.10 Oc1csc(-c2cccnc2)n1 Amb10600775 [0,0,0,1,0,1|2,0,0]=4 7390 B13R2.10 Oc1csc(-c2ccncc2)n1 Amb10600778 [0,0,0,1,0,1|2,0,0]=4 7391 B13R2.10 Oc1nc(-c2ccccc2)co1 Amb22370821 [0,0,0,1,0,1|1,0,0]=3 7392 B13R2.10 Oc1nc(-c2ccccc2)no1 Amb19651317 [0,0,0,1,0,1|2,0,0]=4 7393 B13R2.10 Oc1ncc(-c2ccccc2)o1 Amb27168675 [0,0,0,1,0,1|0,0,1]=3 7394 B13R2.10 Oc1ncc(-c2ccccc2)s1 Amb13884281 [0,0,0,1,0,1|0,1,0]=3 7395 B13R2.10 Oc1ncc(-c2ccccn2)s1 Amb13884289 [0,0,0,1,0,1|1,1,0]=4 7396 B13R2.10 Oc1ncc(-c2cccnc2)s1 Amb13884287 [0,0,0,1,0,1|1,1,0]=4 7397 B13R2.10 Oc1ncc(-c2ccncc2)s1 Amb13884285 [0,0,0,1,0,1|1,1,0]=4 7398 B13R2.10 Oc1ncn(-c2ccccc2)n1 Amb2411756 [0,0,0,1,0,1|2,0,0]=4 7399 B13R2.10 Oc1nnc(-c2ccccc2)o1 Amb6333925 [0,0,0,1,0,1|1,0,1]=4 7400 B13R2.10 S=C1NC(c2ccccc2)=CS1 Amb21934384 [0,0,0,1,0,1|1,1,0]=4 7401 B13R2.10 S=C1NC=C(c2ccccc2)N1 Amb19650898 [0,0,0,1,0,1|1,1,0]=4 7402 B13R2.10 S=C1NC=C(c2ccccn2)O1 Amb27963096 [0,0,0,1,0,1|1,1,0]=4 7403 B13R2.10 S=C1NN=C(c2ccccc2)O1 Amb18368613 [0,0,0,1,0,1|1,1,0]=4 7404 B13R2.10 Sc1ccc(-c2ccccc2)s1 Amb33175558 [0,0,0,1,0,1|0,2,0]=4 7405 B13R2.10 Sc1nc(-c2ccccc2)co1 Amb19943960 [0,0,0,1,0,1|1,1,0]=4 7406 B13R2.10 Sc1nc(-c2ccccc2)cs1 Amb1647902 [0,0,0,1,0,1|1,1,0]=4 7407 B13R2.10 Sc1ncc(-c2ccccc2)o1 Amb10609267 [0,0,0,1,0,1|0,1,0]=3 7408 B13R2.10 Sc1nnc(-c2ccccc2)o1 Amb6355787 [0,0,0,1,0,1|1,1,0]=4 7409 B13R2.17 CC1OC1\C=C\c2ccccc2 Amb25328517 [0,0,0,1,0,1|1,0,1]=4 7410 B13R2.31 OC1CC(=Cc2ccccc2)C1 Amb27763850 [0,0,0,1,0,1|1,0,1]=4 7411 B13R2.72 C=C(C)c1csc2ccccc12 Amb27669983 [0,0,0,1,0,1|2,0,0]=4 7412 B13R2.72 CC(=N)c1csc2ccccc12 Amb28323588 [0,0,0,1,0,1|2,0,0]=4 7413 B13R2.72 CC(=O)c1ccc2ccccn12 Amb18149670 [0,0,0,1,0,1|2,0,0]=4 7414 B13R2.72 CC(=O)c1ccc2coccc12 Amb25898997 [0,0,0,1,0,1|2,0,0]=4 7415 B13R2.72 CC(=O)c1ccn2ccccc12 Amb27490785 [0,0,0,1,0,1|2,0,0]=4 7416 B13R2.72 CC(=O)c1cnc2ccccn12 Amb21963091 [0,0,0,1,0,1|2,0,0]=4 7417 B13R2.72 CC(=O)c1cnn2ccccc12 Amb27862487 [0,0,0,1,0,1|2,0,0]=4 7418 B13R2.72 CC(=O)c1coc2ccccc12 Amb19887568 [0,0,0,1,0,1|1,0,0]=3 7419 B13R2.72 CC(=O)c1coc2ccncc12 Amb26529701 [0,0,0,1,0,1|2,0,0]=4 7420 B13R2.72 CC(=O)c1coc2cnccc12 Amb24559436 [0,0,0,1,0,1|2,0,0]=4 7421 B13R2.72 CC(=O)c1coc2ncccc12 Amb27481873 [0,0,0,1,0,1|2,0,0]=4 7422 B13R2.72 CC(=O)c1csc2ccccc12 Amb33528908 [0,0,0,1,0,1|1,0,0]=3 7423 B13R2.72 CC(=O)c1csc2ncccc12 Amb26954485 [0,0,0,1,0,1|2,0,0]=4 7424 B13R2.72 CC(=O)c1ncn2ccccc12 Amb18061982 [0,0,0,1,0,1|2,0,0]=4 7425 B13R2.72 CC(=O)c1noc2ccccc12 Amb25723786 [0,0,0,1,0,1|2,0,0]=4 7426 B13R2.72 CC(=O)c1occ2ccccc12 Amb18199846 [0,0,0,1,0,1|1,0,0]=3 7427 B13R2.72 CC(=O)c1onc2ccccc12 Amb27209683 [0,0,0,1,0,1|2,0,0]=4 7428 B13R2.72 CC(=O)n1ccc2ccccc21 Amb4148705 [0,0,0,1,0,1|1,0,0]=3 7429 B13R2.72 CC(=O)n1ccc2cccnc21 Amb13884921 [0,0,0,1,0,1|2,0,0]=4 7430 B13R2.72 CC(=O)n1ccc2ccncc21 Amb24331013 [0,0,0,1,0,1|2,0,0]=4 7431 B13R2.72 CC(=O)n1ccc2cnccc21 Amb25151002 [0,0,0,1,0,1|2,0,0]=4 7432 B13R2.72 CC(=O)n1ccc2ncccc21 Amb26319358 [0,0,0,1,0,1|2,0,0]=4 7433 B13R2.72 CC(=O)n1ncc2ccccc21 Amb22235128 [0,0,0,1,0,1|2,0,0]=4 7434 B13R2.72 CC(O)C1=CCc2ccccc21 Amb28244189 [0,0,0,1,0,1|1,0,1]=4 7435 B13R2.72 CC(O)C1C=Cc2ccccc21 Amb27478522 [0,0,0,1,0,1|1,0,1]=4 7436 B13R2.72 CC(O)c1coc2ccccc12 Amb24061891 [0,0,0,1,0,1|1,0,1]=4 7437 B13R2.72 CC(O)c1csc2ccccc12 Amb18180840 [0,0,0,1,0,1|1,0,1]=4 7438 B13R2.72 CC(O)c1occ2ccccc12 Amb25899169 [0,0,0,1,0,1|1,0,1]=4 7439 B13R2.72 C[C@@H](O)c1coc2ccccc12 Amb25675222 [0,0,0,1,0,1|1,0,1]=4 7440 B13R2.72 C[C@@H](O)c1csc2ccccc12 Amb27247039 [0,0,0,1,0,1|1,0,1]=4 7441 B13R2.72 C[C@H](O)[C@@H]1C=Cc2ccccc21 Amb27880668 [0,0,0,1,0,1|1,0,1]=4 7442 B13R2.72 C[C@H](O)c1coc2ccccc12 Amb27766105 [0,0,0,1,0,1|1,0,1]=4 7443 B13R2.72 C[C@H](O)c1csc2ccccc12 Amb25132352 [0,0,0,1,0,1|1,0,1]=4 7444 B13R2.72 N=C(N)c1csc2ccccc12 Amb17850833 [0,0,0,1,0,1|2,0,0]=4 7445 B13R2.72 N=C(N)c1csc2ccccc12 Amb18184081 [0,0,0,1,0,1|2,0,0]=4 7446 B13R2.72 N=C(N)c1csc2ccccc12 Amb2723186 [0,0,0,1,0,1|2,0,0]=4 7447 B13R2.72 NC(=O)c1ccc2ccccn12 Amb25089902 [0,0,0,1,0,1|2,0,0]=4 7448 B13R2.72 NC(=O)c1coc2ccccc12 Amb23401825 [0,0,0,1,0,1|1,0,0]=3 7449 B13R2.72 NC(=O)c1csc2ccccc12 Amb18808969 [0,0,0,1,0,1|1,0,0]=3 7450 B13R2.72 NC(=O)c1csc2cnccc12 Amb27186113 [0,0,0,1,0,1|2,0,0]=4 7451 B13R2.72 NC(=O)c1nsc2ccccc12 Amb16677288 [0,0,0,1,0,1|2,0,0]=4 7452 B13R2.72 NC(=O)n1ccc2cccnc21 Amb27789106 [0,0,0,1,0,1|2,0,0]=4 7453 B13R2.72 NC(=S)c1coc2ccccc12 Amb26346315 [0,0,0,1,0,1|1,1,0]=4 7454 B13R2.72 NC(=S)c1csc2ccccc12 Amb2723185 [0,0,0,1,0,1|1,1,0]=4 7455 B13R2.72 NC(N)=C1C=Nc2ccccc21 Amb27804019 [0,0,0,1,0,1|2,0,0]=4 7456 B13R2.72 O=C(Cl)C1C=Cc2ccccc21 Amb27251392 [0,0,0,1,0,1|1,0,0]=3 7457 B13R2.72 O=C(Cl)c1cnc2ccccn12 Amb25997777 [0,0,0,1,0,1|2,0,0]=4 7458 B13R2.72 O=C(Cl)c1cnn2ccccc12 Amb2723395 [0,0,0,1,0,1|2,0,0]=4 7459 B13R2.72 O=C(Cl)c1coc2ccccc12 Amb9677570 [0,0,0,1,0,1|1,0,0]=3 7460 B13R2.72 O=C(Cl)c1csc2ccccc12 Amb2723179 [0,0,0,1,0,1|1,0,0]=3 7461 B13R2.72 O=C(Cl)c1nsc2ccccc12 Amb27198478 [0,0,0,1,0,1|2,0,0]=4 7462 B13R2.72 O=C(O)C1=CCc2ccccc21 Amb2691224 [0,0,0,1,0,1|0,0,0]=2 7463 B13R2.72 O=C(O)C1=CNC2=NC=CC=N12 Amb31128516 [0,0,0,1,0,1|2,0,0]=4 7464 B13R2.72 O=C(O)C1C=Cc2ccccc21 Amb17470411 [0,0,0,1,0,1|0,0,0]=2 7465 B13R2.72 O=C(O)C1CCc2ccccc21 Amb18538487 [0,0,0,1,0,1|0,0,2]=4 7466 B13R2.72 O=C(O)C1CNc2ccccc21 Amb22497686 [0,0,0,1,0,1|0,0,2]=4 7467 B13R2.72 O=C(O)C1CNc2ccccc21 Amb2698471 [0,0,0,1,0,1|0,0,2]=4 7468 B13R2.72 O=C(O)C1COc2ccccc21 Amb19372915 [0,0,0,1,0,1|0,0,2]=4 7469 B13R2.72 O=C(O)C1CSc2ccccc21 Amb19335022 [0,0,0,1,0,1|0,0,2]=4 7470 B13R2.72 O=C(O)C1NCc2ccccc21 Amb22491461 [0,0,0,1,0,1|0,0,2]=4 7471 B13R2.72 O=C(O)C1NCc2ccccc21 Amb2699615 [0,0,0,1,0,1|0,0,2]=4 7472 B13R2.72 O=C(O)C1OCc2ccccc21 Amb18829056 [0,0,0,1,0,1|0,0,2]=4 7473 B13R2.72 O=C(O)N1CSc2ccccc21 Amb24061895 [0,0,0,1,0,1|1,0,1]=4 7474 B13R2.72 O=C(O)[C@@H]1CCc2ccccc21 Amb24729539 [0,0,0,1,0,1|0,0,2]=4 7475 B13R2.72 O=C(O)[C@@H]1NCc2ccccc21 Amb22748827 [0,0,0,1,0,1|0,0,2]=4 7476 B13R2.72 O=C(O)[C@@H]1NCc2ccccc21 Amb30869293 [0,0,0,1,0,1|0,0,2]=4 7477 B13R2.72 O=C(O)[C@H]1CCc2ccccc21 Amb24470066 [0,0,0,1,0,1|0,0,2]=4 7478 B13R2.72 O=C(O)[C@H]1NCc2ccccc21 Amb25200954 [0,0,0,1,0,1|0,0,2]=4 7479 B13R2.72 O=C(O)[C@H]1NCc2ccccc21 Amb33872272 [0,0,0,1,0,1|0,0,2]=4 7480 B13R2.72 O=C(O)c1ccc2ccccn12 Amb18149687 [0,0,0,1,0,1|1,0,0]=3 7481 B13R2.72 O=C(O)c1ccc2cccnn12 Amb25034789 [0,0,0,1,0,1|2,0,0]=4 7482 B13R2.72 O=C(O)c1ccn2ccccc12 Amb22755846 [0,0,0,1,0,1|1,0,0]=3 7483 B13R2.72 O=C(O)c1ccn2cccnc12 Amb32695437 [0,0,0,1,0,1|2,0,0]=4 7484 B13R2.72 O=C(O)c1ccn2ccncc12 Amb27392410 [0,0,0,1,0,1|2,0,0]=4 7485 B13R2.72 O=C(O)c1ccn2ncccc12 Amb18829835 [0,0,0,1,0,1|2,0,0]=4 7486 B13R2.72 O=C(O)c1cnc2ccccn12 Amb2723386 [0,0,0,1,0,1|1,0,0]=3 7487 B13R2.72 O=C(O)c1cnc2ccccn12 Amb32693473 [0,0,0,1,0,1|1,0,0]=3 7488 B13R2.72 O=C(O)c1cnc2cccnn12 Amb33546267 [0,0,0,1,0,1|2,0,0]=4 7489 B13R2.72 O=C(O)c1cnc2cnccn12 Amb18829542 [0,0,0,1,0,1|2,0,0]=4 7490 B13R2.72 O=C(O)c1cnc2ncccn12 Amb8010291 [0,0,0,1,0,1|2,0,0]=4 7491 B13R2.72 O=C(O)c1cnn2ccccc12 Amb2723394 [0,0,0,1,0,1|1,0,0]=3 7492 B13R2.72 O=C(O)c1cnn2cccnc12 Amb6335597 [0,0,0,1,0,1|2,0,0]=4 7493 B13R2.72 O=C(O)c1cnn2ccncc12 Amb22718742 [0,0,0,1,0,1|2,0,0]=4 7494 B13R2.72 O=C(O)c1cnn2ncccc12 Amb18645773 [0,0,0,1,0,1|2,0,0]=4 7495 B13R2.72 O=C(O)c1coc2ccccc12 Amb6355909 [0,0,0,1,0,1|0,0,0]=2 7496 B13R2.72 O=C(O)c1coc2cccnc12 Amb25109532 [0,0,0,1,0,1|1,0,0]=3 7497 B13R2.72 O=C(O)c1coc2ccncc12 Amb24666082 [0,0,0,1,0,1|1,0,0]=3 7498 B13R2.72 O=C(O)c1coc2ncccc12 Amb26500304 [0,0,0,1,0,1|1,0,0]=3 7499 B13R2.72 O=C(O)c1csc2c1C=CCC2 Amb27232932 [0,0,0,1,0,1|0,0,2]=4 7500 B13R2.72 O=C(O)c1csc2ccccc12 Amb6335606 [0,0,0,1,0,1|0,0,0]=2 7501 B13R2.72 O=C(O)c1csc2cccnc12 Amb21989393 [0,0,0,1,0,1|1,0,0]=3 7502 B13R2.72 O=C(O)c1csc2ccncc12 Amb27637639 [0,0,0,1,0,1|1,0,0]=3 7503 B13R2.72 O=C(O)c1csc2cnccc12 Amb25691088 [0,0,0,1,0,1|1,0,0]=3 7504 B13R2.72 O=C(O)c1csc2cncnc12 Amb27595601 [0,0,0,1,0,1|2,0,0]=4 7505 B13R2.72 O=C(O)c1csc2ncncc12 Amb24615789 [0,0,0,1,0,1|2,0,0]=4 7506 B13R2.72 O=C(O)c1ncc2ccccn12 Amb17060780 [0,0,0,1,0,1|1,0,0]=3 7507 B13R2.72 O=C(O)c1ncc2cnccn12 Amb24531553 [0,0,0,1,0,1|2,0,0]=4 7508 B13R2.72 O=C(O)c1ncn2ccccc12 Amb18559504 [0,0,0,1,0,1|1,0,0]=3 7509 B13R2.72 O=C(O)c1ncn2cccnc12 Amb8011444 [0,0,0,1,0,1|2,0,0]=4 7510 B13R2.72 O=C(O)c1nnc2ccccn12 Amb17062672 [0,0,0,1,0,1|2,0,0]=4 7511 B13R2.72 O=C(O)c1nnn2ccccc12 Amb18645769 [0,0,0,1,0,1|2,0,0]=4 7512 B13R2.72 O=C(O)c1noc2ccccc12 Amb1994153 [0,0,0,1,0,1|1,0,0]=3 7513 B13R2.72 O=C(O)c1noc2cnccc12 Amb27754951 [0,0,0,1,0,1|2,0,0]=4 7514 B13R2.72 O=C(O)c1noc2ncccc12 Amb24343515 [0,0,0,1,0,1|2,0,0]=4 7515 B13R2.72 O=C(O)c1nsc2ccccc12 Amb33542908 [0,0,0,1,0,1|1,0,0]=3 7516 B13R2.72 O=C(O)c1occ2ccccc12 Amb6357074 [0,0,0,1,0,1|0,0,0]=2 7517 B13R2.72 O=C(O)c1onc2ccccc12 Amb2725091 [0,0,0,1,0,1|1,0,0]=3 7518 B13R2.72 O=C(O)c1onc2cccnc12 Amb27186314 [0,0,0,1,0,1|2,0,0]=4 7519 B13R2.72 O=C(O)c1onc2ncccc12 Amb18829102 [0,0,0,1,0,1|2,0,0]=4 7520 B13R2.72 O=C(O)c1scc2nccnc12 Amb18824541 [0,0,0,1,0,1|2,0,0]=4 7521 B13R2.72 O=C(O)c1snc2ccccc12 Amb17594585 [0,0,0,1,0,1|1,0,0]=3 7522 B13R2.72 O=C(O)n1ccc2ccncc21 Amb21964153 [0,0,0,1,0,1|1,0,0]=3 7523 B13R2.72 O=S([O-])c1csc2ccccc12 Amb27462813 [0,0,0,1,0,1|1,0,1]=4 7524 B13R2.72 O=[N+]([O-])c1csc2ccccc12 Amb5720588 [0,0,0,1,0,1|1,0,1]=4 7525 B13R2.72 OB(O)C1=CCc2ccccc21 Amb24487374 [0,0,0,1,0,1|1,0,1]=4 7526 B13R2.72 OB(O)c1coc2ccccc12 Amb9780926 [0,0,0,1,0,1|1,0,1]=4 7527 B13R2.72 OB(O)c1csc2ccccc12 Amb2723183 [0,0,0,1,0,1|1,0,1]=4 7528 B13R2.72 OB(O)c1scc2ccccc12 Amb28186404 [0,0,0,1,0,1|1,0,1]=4 7529 B13R2.72 OC(O)=C1C=Cc2ccccc21 Amb24357578 [0,0,0,1,0,1|0,0,1]=3 7530 B13R2.163 CC1=CN=Cc2ccccc2N1 Amb27248260 [0,0,0,1,0,1|2,0,0]=4 7531 B13R2.163 O=C1C=CNc2ccccc2N1 Amb17750236 [0,0,0,1,0,1|1,0,0]=3 7532 B13R2.163 O=C1CCCc2ccccc2O1 Amb22900954 [0,0,0,1,0,1|0,0,2]=4 7533 B13R2.163 O=C1Cc2ccccc2C=CN1 Amb9798874 [0,0,0,1,0,1|1,0,0]=3 7534 B13R2.163 O=C1Nc2ccccc2C=NO1 Amb28255633 [0,0,0,1,0,1|2,0,0]=4 7535 B13R2.163 O=C1OC=Nc2ccccc2O1 Amb24376626 [0,0,0,1,0,1|1,0,0]=3 7536 B13R2.219 O=S1(=O)CC=C1c2ccccc2 Amb27200378 [0,0,0,1,0,1|1,0,1]=4 7537 B13R2.423 CC(=O)C1N=C1c2ccccc2 Amb25863961 [0,0,0,1,0,1|1,0,1]=4 7538 B13R2.423 NC(=O)C1=NC1c2ccccc2 Amb27954727 [0,0,0,1,0,1|1,0,1]=4 7539 B13R2.423 O=C(O)C1=C(c2ccccc2)C1 Amb28121109 [0,0,0,1,0,1|0,0,0]=2 7540 B13R2.423 O=C(O)C1CC1c2ccccc2 Amb534800 [0,0,0,1,0,1|0,0,2]=4 7541 B13R2.423 O=C(O)C1OC1c2ccccc2 Amb3775834 [0,0,0,1,0,1|0,0,2]=4 7542 B13R2.423 O=C(O)[C@@H]1C[C@@H]1c2ccccc2 Amb17621816 [0,0,0,1,0,1|0,0,2]=4 7543 B13R2.423 O=C(O)[C@@H]1C[C@H]1c2ccccc2 Amb33524226 [0,0,0,1,0,1|0,0,2]=4 7544 B13R2.423 O=C(O)[C@H]1C[C@@H]1c2ccccc2 Amb10071353 [0,0,0,1,0,1|0,0,2]=4 7545 B13R2.423 O=C(O)[C@H]1C[C@H]1c2ccccc2 Amb25231831 [0,0,0,1,0,1|0,0,2]=4 7546 B13R2.2382 C(=C\c1ccccc1)/CC2CO2 Amb33080785 [0,0,0,1,0,1|1,0,1]=4 7547 B13R2.5881 CC(=O)\C=C1/Cc2ccccc21 Amb21948332 [0,0,0,1,0,1|1,0,0]=3 7548 B13R2.5881 O=C(O)CC1=Cc2ccccc21 Amb25148617 [0,0,0,1,0,1|0,0,0]=2 7549 B13R2.5881 O=C(O)CC1Cc2ccccc21 Amb25279494 [0,0,0,1,0,1|0,0,2]=4 7550 B13R2.5881 O=C(O)\C=C1\Cc2ccccc21 Amb28288611 [0,0,0,1,0,1|0,0,0]=2 7551 B13R2.147 O=C1C=C(c2ccc(F)cc2)C1 Amb27954187 [0,1,0,1,0,0|1,0,0]=3 7552 B13R2.155 Brc1ccc2ccc(Br)cc2c1 Amb2609443 [0,1,0,1,0,0|2,0,0]=4 7553 B13R2.155 Brc1ccc2ccc(Br)nc2c1 Amb22000956 [0,1,0,1,0,0|2,0,0]=4 7554 B13R2.155 Brc1ccc2ccc(I)cc2c1 Amb24758917 [0,1,0,1,0,0|2,0,0]=4 7555 B13R2.155 Brc1ccc2ccc(I)nc2c1 Amb25217538 [0,1,0,1,0,0|2,0,0]=4 7556 B13R2.155 CC1=CC2=CC(=O)NC=C2C=C1 Amb22371048 [0,1,0,1,0,0|2,0,0]=4 7557 B13R2.155 CC1C=Cc2ccc(O)cc2O1 Amb6840059 [0,1,0,1,0,0|1,0,1]=4 7558 B13R2.155 Cc1cc2c(cn1)C=CC(=O)N2 Amb27790702 [0,1,0,1,0,0|2,0,0]=4 7559 B13R2.155 Cc1ccc2c(c1)NC(=O)C=C2 Amb21857833 [0,1,0,1,0,0|1,0,0]=3 7560 B13R2.155 Cc1ccc2c(c1)NC(=O)N=C2 Amb24468183 [0,1,0,1,0,0|2,0,0]=4 7561 B13R2.155 Cc1ccc2c(c1)OC(=O)C=C2 Amb18511476 [0,1,0,1,0,0|0,0,0]=2 7562 B13R2.155 Cc1ccc2c(c1)OC(=O)CC2 Amb27975901 [0,1,0,1,0,0|0,0,2]=4 7563 B13R2.155 Cc1ccc2c(c1)OC(=O)NC2 Amb27967408 [0,1,0,1,0,0|1,0,1]=4 7564 B13R2.155 Cc1ccc2c(c1)OC(=O)OC2 Amb27861046 [0,1,0,1,0,0|1,0,1]=4 7565 B13R2.155 Cc1ccc2ccc(Br)cc2c1 Amb21864772 [0,1,0,1,0,0|2,0,0]=4 7566 B13R2.155 Cc1ccc2ccc(Br)cc2n1 Amb1994793 [0,1,0,1,0,0|2,0,0]=4 7567 B13R2.155 Cc1ccc2ccc(C)cc2c1 Amb2687557 [0,1,0,1,0,0|2,0,0]=4 7568 B13R2.155 Cc1ccc2ccc(C)nc2c1 Amb22002033 [0,1,0,1,0,0|2,0,0]=4 7569 B13R2.155 Cc1ccc2ccc(Cl)cc2c1 Amb24626109 [0,1,0,1,0,0|2,0,0]=4 7570 B13R2.155 Cc1ccc2ccc(Cl)cc2n1 Amb2371819 [0,1,0,1,0,0|2,0,0]=4 7571 B13R2.155 Cc1ccc2ccc(Cl)nc2c1 Amb22007944 [0,1,0,1,0,0|2,0,0]=4 7572 B13R2.155 Cc1ccc2ccc(F)cc2c1 Amb24429006 [0,1,0,1,0,0|2,0,0]=4 7573 B13R2.155 Cc1ccc2ccc(F)cc2n1 Amb2688237 [0,1,0,1,0,0|2,0,0]=4 7574 B13R2.155 Cc1ccc2ccc(I)cc2n1 Amb26576362 [0,1,0,1,0,0|2,0,0]=4 7575 B13R2.155 Cc1ccc2ccc(N)cc2c1 Amb24707712 [0,1,0,1,0,0|2,0,0]=4 7576 B13R2.155 Cc1ccc2ccc(N)nc2c1 Amb25982717 [0,1,0,1,0,0|2,0,0]=4 7577 B13R2.155 Cc1ccc2ccc(O)cc2c1 Amb18645051 [0,1,0,1,0,0|1,0,0]=3 7578 B13R2.155 Cc1ccc2ccc(O)cc2n1 Amb18353419 [0,1,0,1,0,0|2,0,0]=4 7579 B13R2.155 Cc1ccc2ccc(O)nc2n1 Amb19889040 [0,1,0,1,0,0|2,0,0]=4 7580 B13R2.155 Cc1ccc2ccc(S)nc2c1 Amb23536151 [0,1,0,1,0,0|1,1,0]=4 7581 B13R2.155 Cc1ccc2ncc(O)cc2c1 Amb8506040 [0,1,0,1,0,0|2,0,0]=4 7582 B13R2.155 Cc1cnc2c(c1)NC(=O)C=C2 Amb24556512 [0,1,0,1,0,0|2,0,0]=4 7583 B13R2.155 Cc1cnc2ccc(O)cc2c1 Amb25204459 [0,1,0,1,0,0|2,0,0]=4 7584 B13R2.155 Clc1ccc2ccc(Br)cc2c1 Amb28241023 [0,1,0,1,0,0|2,0,0]=4 7585 B13R2.155 Clc1ccc2ccc(Br)cc2n1 Amb1994309 [0,1,0,1,0,0|2,0,0]=4 7586 B13R2.155 Clc1ccc2ccc(Cl)cc2c1 Amb6298113 [0,1,0,1,0,0|2,0,0]=4 7587 B13R2.155 Clc1ccc2ccc(Cl)nc2c1 Amb20239455 [0,1,0,1,0,0|2,0,0]=4 7588 B13R2.155 Clc1ccc2ccc(I)cc2c1 Amb25790503 [0,1,0,1,0,0|2,0,0]=4 7589 B13R2.155 Fc1ccc2ccc(Br)cc2c1 Amb25365032 [0,1,0,1,0,0|2,0,0]=4 7590 B13R2.155 Fc1ccc2ccc(Br)nc2c1 Amb23401192 [0,1,0,1,0,0|2,0,0]=4 7591 B13R2.155 Fc1ccc2ccc(Cl)cc2c1 Amb27862466 [0,1,0,1,0,0|2,0,0]=4 7592 B13R2.155 Fc1ccc2ccc(Cl)cc2n1 Amb27965778 [0,1,0,1,0,0|2,0,0]=4 7593 B13R2.155 Fc1ccc2ccc(Cl)nc2c1 Amb19148834 [0,1,0,1,0,0|2,0,0]=4 7594 B13R2.155 Fc1ccc2ccc(F)cc2c1 Amb25347384 [0,1,0,1,0,0|2,0,0]=4 7595 B13R2.155 Fc1ccc2ccc(I)cc2c1 Amb24483667 [0,1,0,1,0,0|2,0,0]=4 7596 B13R2.155 Fc1ccc2ccc(S)nc2c1 Amb26491962 [0,1,0,1,0,0|1,1,0]=4 7597 B13R2.155 Ic1ccc2ccc(I)cc2c1 Amb27152994 [0,1,0,1,0,0|2,0,0]=4 7598 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 Amb22386908 [0,1,0,1,0,0|2,0,0]=4 7599 B13R2.155 Nc1cc2c(cn1)C=CC(=O)N2 Amb24400239 [0,1,0,1,0,0|2,0,0]=4 7600 B13R2.155 Nc1cc2cc(O)ccc2cn1 Amb25915246 [0,1,0,1,0,0|2,0,0]=4 7601 B13R2.155 Nc1ccc2c(c1)NC(=O)C=C2 Amb18545106 [0,1,0,1,0,0|1,0,0]=3 7602 B13R2.155 Nc1ccc2c(c1)NC(=O)C=N2 Amb19789097 [0,1,0,1,0,0|2,0,0]=4 7603 B13R2.155 Nc1ccc2c(c1)OC(=O)C=C2 Amb19130409 [0,1,0,1,0,0|0,0,0]=2 7604 B13R2.155 Nc1ccc2c(n1)NC(=O)C=C2 Amb19516712 [0,1,0,1,0,0|2,0,0]=4 7605 B13R2.155 Nc1ccc2ccc(Br)cc2c1 Amb17596044 [0,1,0,1,0,0|2,0,0]=4 7606 B13R2.155 Nc1ccc2ccc(Br)cc2c1 Amb35751800 [0,1,0,1,0,0|2,0,0]=4 7607 B13R2.155 Nc1ccc2ccc(Br)cc2n1 Amb16234051 [0,1,0,1,0,0|2,0,0]=4 7608 B13R2.155 Nc1ccc2ccc(Cl)cc2c1 Amb17594515 [0,1,0,1,0,0|2,0,0]=4 7609 B13R2.155 Nc1ccc2ccc(Cl)cc2n1 Amb18648193 [0,1,0,1,0,0|2,0,0]=4 7610 B13R2.155 Nc1ccc2ccc(F)cc2c1 Amb26879895 [0,1,0,1,0,0|2,0,0]=4 7611 B13R2.155 Nc1ccc2ccc(F)cc2n1 Amb25121338 [0,1,0,1,0,0|2,0,0]=4 7612 B13R2.155 Nc1ccc2ccc(N)cc2c1 Amb2613342 [0,1,0,1,0,0|2,0,0]=4 7613 B13R2.155 Nc1ccc2ccc(N)nc2c1 Amb18645199 [0,1,0,1,0,0|2,0,0]=4 7614 B13R2.155 Nc1ccc2ccc(O)cc2c1 Amb21955697 [0,1,0,1,0,0|1,0,0]=3 7615 B13R2.155 Nc1ccc2ccc(O)cc2c1 Amb9173657 [0,1,0,1,0,0|1,0,0]=3 7616 B13R2.155 Nc1ccc2ccc(O)cc2n1 Amb27471897 [0,1,0,1,0,0|2,0,0]=4 7617 B13R2.155 Nc1ccc2ccc(O)nc2n1 Amb1102214 [0,1,0,1,0,0|2,0,0]=4 7618 B13R2.155 Nc1ccc2cnc(O)cc2c1 Amb22735994 [0,1,0,1,0,0|2,0,0]=4 7619 B13R2.155 Nc1ccc2ncc(O)cc2c1 Amb24183776 [0,1,0,1,0,0|2,0,0]=4 7620 B13R2.155 Nc1cnc2ccc(O)cc2c1 Amb23580321 [0,1,0,1,0,0|2,0,0]=4 7621 B13R2.155 O=C1C=C2C=C(Br)C=CC2=CN1 Amb22371047 [0,1,0,1,0,0|2,0,0]=4 7622 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 Amb24723301 [0,1,0,1,0,0|2,0,0]=4 7623 B13R2.155 O=C1C=Cc2ccc(Br)cc2N1 Amb20248087 [0,1,0,1,0,0|1,0,0]=3 7624 B13R2.155 O=C1C=Cc2ccc(Br)cc2O1 Amb26841310 [0,1,0,1,0,0|0,0,0]=2 7625 B13R2.155 O=C1C=Cc2ccc(Cl)cc2N1 Amb19894727 [0,1,0,1,0,0|1,0,0]=3 7626 B13R2.155 O=C1C=Cc2ccc(F)cc2N1 Amb23412015 [0,1,0,1,0,0|1,0,0]=3 7627 B13R2.155 O=C1C=Cc2ccc(F)cc2O1 Amb24736406 [0,1,0,1,0,0|0,0,0]=2 7628 B13R2.155 O=C1C=Cc2ccc(F)nc2N1 Amb22386916 [0,1,0,1,0,0|2,0,0]=4 7629 B13R2.155 O=C1C=Cc2ccc(I)cc2O1 Amb26420862 [0,1,0,1,0,0|0,0,0]=2 7630 B13R2.155 O=C1C=Cc2ccc(O)cc2N1 Amb18645438 [0,1,0,1,0,0|1,0,0]=3 7631 B13R2.155 O=C1C=Cc2ccc(O)cc2O1 Amb18511480 [0,1,0,1,0,0|0,0,0]=2 7632 B13R2.155 O=C1C=Cc2ccc(O)nc2O1 Amb18645755 [0,1,0,1,0,0|1,0,0]=3 7633 B13R2.155 O=C1C=Cc2ccc(S)cc2O1 Amb27963071 [0,1,0,1,0,0|0,0,0]=2 7634 B13R2.155 O=C1C=Cc2cnc(Cl)cc2N1 Amb28121939 [0,1,0,1,0,0|2,0,0]=4 7635 B13R2.155 O=C1C=Cc2cnc(F)cc2N1 Amb22494138 [0,1,0,1,0,0|2,0,0]=4 7636 B13R2.155 O=C1C=Cc2ncc(Br)cc2N1 Amb22739841 [0,1,0,1,0,0|2,0,0]=4 7637 B13R2.155 O=C1C=Cc2ncc(Cl)cc2N1 Amb22235070 [0,1,0,1,0,0|2,0,0]=4 7638 B13R2.155 O=C1C=Cc2ncc(F)cc2N1 Amb22234515 [0,1,0,1,0,0|2,0,0]=4 7639 B13R2.155 O=C1C=Nc2ccc(Br)cc2N1 Amb19789102 [0,1,0,1,0,0|2,0,0]=4 7640 B13R2.155 O=C1C=Nc2ccc(Cl)cc2N1 Amb19889641 [0,1,0,1,0,0|2,0,0]=4 7641 B13R2.155 O=C1C=Nc2ccc(I)cc2N1 Amb25178643 [0,1,0,1,0,0|2,0,0]=4 7642 B13R2.155 O=C1CCc2ccc(O)cc2O1 Amb5717908 [0,1,0,1,0,0|0,0,2]=4 7643 B13R2.155 O=C1CNc2ccc(Cl)cc2O1 Amb2234255 [0,1,0,1,0,0|1,0,1]=4 7644 B13R2.155 O=C1CNc2ccc(O)cc2O1 Amb28060911 [0,1,0,1,0,0|1,0,1]=4 7645 B13R2.155 O=C1COc2ccc(O)cc2O1 Amb27229107 [0,1,0,1,0,0|1,0,1]=4 7646 B13R2.155 O=C1N=Cc2ccc(Br)cc2N1 Amb21963258 [0,1,0,1,0,0|2,0,0]=4 7647 B13R2.155 O=C1NCc2ccc(Br)cc2O1 Amb33741881 [0,1,0,1,0,0|1,0,1]=4 7648 B13R2.155 O=C1NCc2ccc(O)cc2O1 Amb26575833 [0,1,0,1,0,0|1,0,1]=4 7649 B13R2.155 O=C1OCc2ccc(Br)cc2O1 Amb32698541 [0,1,0,1,0,0|1,0,1]=4 7650 B13R2.155 O=C1OCc2ccc(Cl)cc2O1 Amb32698539 [0,1,0,1,0,0|1,0,1]=4 7651 B13R2.155 O=C1OCc2ccc(F)cc2O1 Amb25350783 [0,1,0,1,0,0|1,0,1]=4 7652 B13R2.155 O=c1ccc2ccc(Cl)cc2o1 Amb5717858 [0,1,0,1,0,0|0,0,0]=2 7653 B13R2.155 OC1C=Cc2ccc(Cl)cc2O1 Amb27662136 [0,1,0,1,0,0|0,0,2]=4 7654 B13R2.155 Oc1cc2cc(Br)ccc2cn1 Amb16185816 [0,1,0,1,0,0|2,0,0]=4 7655 B13R2.155 Oc1cc2cc(F)ccc2cn1 Amb20171182 [0,1,0,1,0,0|2,0,0]=4 7656 B13R2.155 Oc1ccc2ccc(Br)cc2c1 Amb17596083 [0,1,0,1,0,0|1,0,0]=3 7657 B13R2.155 Oc1ccc2ccc(Br)cc2n1 Amb22284792 [0,1,0,1,0,0|1,0,0]=3 7658 B13R2.155 Oc1ccc2ccc(Br)nc2n1 Amb25055789 [0,1,0,1,0,0|2,0,0]=4 7659 B13R2.155 Oc1ccc2ccc(Cl)cc2c1 Amb17594576 [0,1,0,1,0,0|1,0,0]=3 7660 B13R2.155 Oc1ccc2ccc(Cl)cc2n1 Amb10603917 [0,1,0,1,0,0|1,0,0]=3 7661 B13R2.155 Oc1ccc2ccc(Cl)nc2c1 Amb613542 [0,1,0,1,0,0|2,0,0]=4 7662 B13R2.155 Oc1ccc2ccc(Cl)nc2n1 Amb22002316 [0,1,0,1,0,0|2,0,0]=4 7663 B13R2.155 Oc1ccc2ccc(F)cc2c1 Amb24589653 [0,1,0,1,0,0|1,0,0]=3 7664 B13R2.155 Oc1ccc2ccc(F)nc2c1 Amb24485536 [0,1,0,1,0,0|2,0,0]=4 7665 B13R2.155 Oc1ccc2ccc(I)cc2c1 Amb24429632 [0,1,0,1,0,0|1,0,0]=3 7666 B13R2.155 Oc1ccc2ccc(I)cc2n1 Amb24605587 [0,1,0,1,0,0|1,0,0]=3 7667 B13R2.155 Oc1ccc2ccc(I)nc2c1 Amb27667715 [0,1,0,1,0,0|2,0,0]=4 7668 B13R2.155 Oc1ccc2ccc(I)nc2n1 Amb24428263 [0,1,0,1,0,0|2,0,0]=4 7669 B13R2.155 Oc1ccc2ccc(O)cc2c1 Amb6357388 [0,1,0,1,0,0|1,0,0]=3 7670 B13R2.155 Oc1ccc2ccc(O)nc2c1 Amb10602568 [0,1,0,1,0,0|1,0,0]=3 7671 B13R2.155 Oc1ccc2ccc(O)nc2n1 Amb17613076 [0,1,0,1,0,0|2,0,0]=4 7672 B13R2.155 Oc1ccc2cnc(Cl)cc2c1 Amb22735856 [0,1,0,1,0,0|2,0,0]=4 7673 B13R2.155 Oc1ccc2cnc(O)cc2c1 Amb27240825 [0,1,0,1,0,0|2,0,0]=4 7674 B13R2.155 Oc1ccc2ncc(Br)cc2c1 Amb21964255 [0,1,0,1,0,0|2,0,0]=4 7675 B13R2.155 Oc1ccc2ncc(Cl)cc2c1 Amb22497692 [0,1,0,1,0,0|2,0,0]=4 7676 B13R2.155 Oc1ccc2ncc(F)cc2c1 Amb22899330 [0,1,0,1,0,0|2,0,0]=4 7677 B13R2.155 Oc1ccc2ncc(I)cc2c1 Amb22494723 [0,1,0,1,0,0|2,0,0]=4 7678 B13R2.155 Oc1ccc2ncc(O)cc2c1 Amb24485547 [0,1,0,1,0,0|2,0,0]=4 7679 B13R2.155 Oc1cnc2ccc(Br)cc2c1 Amb33548540 [0,1,0,1,0,0|2,0,0]=4 7680 B13R2.155 Oc1cnc2ccc(Cl)cc2c1 Amb33547567 [0,1,0,1,0,0|2,0,0]=4 7681 B13R2.155 Oc1cnc2ccc(F)cc2c1 Amb22494761 [0,1,0,1,0,0|2,0,0]=4 7682 B13R2.155 Oc1cnc2ccc(I)cc2c1 Amb22494758 [0,1,0,1,0,0|2,0,0]=4 7683 B13R2.155 Oc1ncc2ccc(F)cc2n1 Amb26058146 [0,1,0,1,0,0|2,0,0]=4 7684 B13R2.155 Sc1ccc2ccc(Br)cc2n1 Amb23536159 [0,1,0,1,0,0|1,1,0]=4 7685 B13R2.155 Sc1ccc2ccc(Cl)cc2n1 Amb23536154 [0,1,0,1,0,0|1,1,0]=4 7686 B13R2.155 Sc1ccc2ccc(S)cc2c1 Amb21954230 [0,1,0,1,0,0|1,1,0]=4 7687 B13R2.155 [CH2+]c1ccc2ccc(O)cc2n1 Amb28129015 [0,1,0,1,0,0|2,0,0]=4 7688 B13R2.527 Fc1ccc(\C=C\C2CO2)cc1 Amb32953715 [0,1,0,1,0,0|1,0,1]=4 7689 B13R2.527 Fc1ccc(\C=C\[C@@H]2CO2)cc1 Amb33201153 [0,1,0,1,0,0|1,0,1]=4 7690 B13R2.527 Fc1ccc(\C=C\[C@H]2CO2)cc1 Amb33201154 [0,1,0,1,0,0|1,0,1]=4 7691 B13R2.3791 Nc1ccc2c(c1)S(=O)(=O)C=C2 Amb2725048 [0,1,0,1,0,0|1,0,1]=4 7692 B13R2.3791 O=S1(=O)C=Cc2ccc(Br)cc21 Amb27154213 [0,1,0,1,0,0|1,0,1]=4 7693 B13R2.3791 O=S1(=O)C=Cc2ccc(I)cc21 Amb27480997 [0,1,0,1,0,0|1,0,1]=4 7694 B13R2.3791 O=S1(=O)C=Cc2ccc(O)cc21 Amb26883441 [0,1,0,1,0,0|1,0,1]=4 7695 B13R2.4930 Cc1ccc2c(c1)C(C(=O)O)C2 Amb32660510 [0,1,0,1,0,0|0,0,2]=4 7696 B13R2.4930 O=C(O)C1Cc2ccc(Cl)cc21 Amb26951445 [0,1,0,1,0,0|0,0,2]=4 7697 B13R2.4930 O=C(O)C1Cc2ccc(F)cc21 Amb24363152 [0,1,0,1,0,0|0,0,2]=4 7698 B13R2.13685 O=C(O)C1Oc2ccc(cc2)O1 Amb27172678 [0,1,0,1,0,0|1,0,1]=4 7699 B13R2.27 O=C1CC\C1=C/c2ccccc2 Amb25366584 [0,1,0,1,0,0|1,0,0]=3 7700 B13R2.27 O=C1COC1Cc2ccccc2 Amb35789727 [0,1,0,1,0,0|0,0,2]=4 7701 B13R2.27 O=C1CS\C1=C\c2ccccc2 Amb17594489 [0,1,0,1,0,0|0,1,0]=3 7702 B13R2.32 Brc1ccc2ccccc2c1I Amb24594397 [0,1,0,1,0,0|2,0,0]=4 7703 B13R2.32 C=C1C(=O)C=Cc2ccccc21 Amb27270865 [0,1,0,1,0,0|1,0,0]=3 7704 B13R2.32 C=C1C=Cc2ccccc2N1C Amb25918137 [0,1,0,1,0,0|2,0,0]=4 7705 B13R2.32 CC1=C2C=CC=CC2=CNC1=O Amb27857230 [0,1,0,1,0,0|2,0,0]=4 7706 B13R2.32 CC1=CNc2ccccc2C1=O Amb21811680 [0,1,0,1,0,0|2,0,0]=4 7707 B13R2.32 CC1=COc2ccccc2C1=O Amb18048475 [0,1,0,1,0,0|2,0,0]=4 7708 B13R2.32 CC1=CSc2ccccc2C1=O Amb27154899 [0,1,0,1,0,0|2,0,0]=4 7709 B13R2.32 CC1C=Cc2ccccc2C1O Amb25098603 [0,1,0,1,0,0|1,0,1]=4 7710 B13R2.32 CN1C(=O)C=Cc2ccccc21 Amb19116112 [0,1,0,1,0,0|1,0,0]=3 7711 B13R2.32 CN1C(=O)C=Cc2cccnc21 Amb28365713 [0,1,0,1,0,0|2,0,0]=4 7712 B13R2.32 CN1C(=O)C=Cc2cnccc21 Amb22491898 [0,1,0,1,0,0|2,0,0]=4 7713 B13R2.32 CN1C(=O)C=Cc2ncccc21 Amb28254581 [0,1,0,1,0,0|2,0,0]=4 7714 B13R2.32 CN1C(=S)C=Cc2ccccc21 Amb19651670 [0,1,0,1,0,0|1,1,0]=4 7715 B13R2.32 CN1C=Cc2ccccc2C1=O Amb19127190 [0,1,0,1,0,0|2,0,0]=4 7716 B13R2.32 CN1c2ccccc2C=CC1O Amb27484700 [0,1,0,1,0,0|1,0,1]=4 7717 B13R2.32 C[C@@H]1C=Cc2ccccc2[C@@H]1O Amb26058397 [0,1,0,1,0,0|1,0,1]=4 7718 B13R2.32 C[C@@H]1C=Cc2ccccc2[C@H]1O Amb26015042 [0,1,0,1,0,0|1,0,1]=4 7719 B13R2.32 C[C@H]1C=Cc2ccccc2[C@H]1O Amb27255258 [0,1,0,1,0,0|1,0,1]=4 7720 B13R2.32 C[n+]1c(I)ccc2ccccc21 Amb348184 [0,1,0,1,0,0|2,0,0]=4 7721 B13R2.32 C[n+]1c(N)ccc2ccccc21 Amb2609713 [0,1,0,1,0,0|2,0,0]=4 7722 B13R2.32 Cc1c(Br)ccc2ccccc12 Amb21929204 [0,1,0,1,0,0|2,0,0]=4 7723 B13R2.32 Cc1c(Cl)ccc2ccccc12 Amb26843093 [0,1,0,1,0,0|2,0,0]=4 7724 B13R2.32 Cc1c(F)ccc2ccccc12 Amb26880002 [0,1,0,1,0,0|2,0,0]=4 7725 B13R2.32 Cc1c(I)ccc2ccccc12 Amb26367182 [0,1,0,1,0,0|2,0,0]=4 7726 B13R2.32 Cc1c(N)ccc2ccccc12 Amb17593938 [0,1,0,1,0,0|2,0,0]=4 7727 B13R2.32 Cc1c(O)ccc2ccccc12 Amb4016608 [0,1,0,1,0,0|1,0,0]=3 7728 B13R2.32 Cc1c(O)ccc2ccncc12 Amb4013117 [0,1,0,1,0,0|2,0,0]=4 7729 B13R2.32 Cc1c(O)ccc2ncccc12 Amb18645164 [0,1,0,1,0,0|2,0,0]=4 7730 B13R2.32 Cc1c(O)ccc2ncccc12 Amb35748094 [0,1,0,1,0,0|2,0,0]=4 7731 B13R2.32 Cc1c(O)cnc2ccccc12 Amb18645166 [0,1,0,1,0,0|2,0,0]=4 7732 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb17843414 [0,1,0,1,0,0|2,0,0]=4 7733 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb2540178 [0,1,0,1,0,0|2,0,0]=4 7734 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb4322944 [0,1,0,1,0,0|2,0,0]=4 7735 B13R2.32 Cc1ccc2ccccc2c1Br Amb3939041 [0,1,0,1,0,0|2,0,0]=4 7736 B13R2.32 Cc1ccc2ccccc2c1C Amb6297194 [0,1,0,1,0,0|2,0,0]=4 7737 B13R2.32 Cc1ccc2ccccc2c1I Amb27851450 [0,1,0,1,0,0|2,0,0]=4 7738 B13R2.32 Cc1ccc2ccccc2c1N Amb2429201 [0,1,0,1,0,0|2,0,0]=4 7739 B13R2.32 Cc1ccc2ccccc2c1N Amb6383344 [0,1,0,1,0,0|2,0,0]=4 7740 B13R2.32 Cc1ccc2ccccc2c1O Amb3939072 [0,1,0,1,0,0|1,0,0]=3 7741 B13R2.32 Cc1ccc2ccccc2c1S Amb25340394 [0,1,0,1,0,0|1,1,0]=4 7742 B13R2.32 Cc1ccc2cccnc2c1O Amb9790954 [0,1,0,1,0,0|2,0,0]=4 7743 B13R2.32 Cc1ccc2ncccc2c1O Amb22750813 [0,1,0,1,0,0|2,0,0]=4 7744 B13R2.32 Cc1cnc2ccccc2c1O Amb18560317 [0,1,0,1,0,0|2,0,0]=4 7745 B13R2.32 Cc1ncc2ccccc2c1O Amb18126185 [0,1,0,1,0,0|2,0,0]=4 7746 B13R2.32 Clc1c(Br)ccc2ccccc12 Amb24444356 [0,1,0,1,0,0|2,0,0]=4 7747 B13R2.32 Clc1c(I)ccc2ccccc12 Amb25866644 [0,1,0,1,0,0|2,0,0]=4 7748 B13R2.32 Clc1ccc2ccccc2c1Br Amb25082370 [0,1,0,1,0,0|2,0,0]=4 7749 B13R2.32 Clc1ccc2ccccc2c1Cl Amb25189491 [0,1,0,1,0,0|2,0,0]=4 7750 B13R2.32 Clc1ccc2ccccc2c1I Amb25309391 [0,1,0,1,0,0|2,0,0]=4 7751 B13R2.32 Cn1c(=N)ccc2ccccc21 Amb8439002 [0,1,0,1,0,0|2,0,0]=4 7752 B13R2.32 Cn1c(=O)cnc2ccccc21 Amb2612192 [0,1,0,1,0,0|2,0,0]=4 7753 B13R2.32 Fc1c(Br)ccc2ccccc12 Amb16186009 [0,1,0,1,0,0|2,0,0]=4 7754 B13R2.32 Fc1c(I)ccc2ccccc12 Amb22547558 [0,1,0,1,0,0|2,0,0]=4 7755 B13R2.32 Fc1ccc2ccccc2c1Br Amb25068848 [0,1,0,1,0,0|2,0,0]=4 7756 B13R2.32 Fc1ccc2ccccc2c1Cl Amb25232022 [0,1,0,1,0,0|2,0,0]=4 7757 B13R2.32 Fc1ccc2ccccc2c1I Amb28250690 [0,1,0,1,0,0|2,0,0]=4 7758 B13R2.32 Ic1ccc2ccccc2c1I Amb8392015 [0,1,0,1,0,0|2,0,0]=4 7759 B13R2.32 N=C1C(=O)C=Cc2ccccc21 Amb27227038 [0,1,0,1,0,0|1,0,0]=3 7760 B13R2.32 N=C1C=Cc2ccccc2C1=O Amb27948681 [0,1,0,1,0,0|1,0,0]=3 7761 B13R2.32 NC1=COc2ccccc2C1=O Amb23399677 [0,1,0,1,0,0|2,0,0]=4 7762 B13R2.32 NC1=CSc2ccccc2C1=O Amb18648055 [0,1,0,1,0,0|2,0,0]=4 7763 B13R2.32 Nc1c(Br)ccc2ccccc12 Amb17596049 [0,1,0,1,0,0|2,0,0]=4 7764 B13R2.32 Nc1c(Cl)ccc2ccccc12 Amb17594523 [0,1,0,1,0,0|2,0,0]=4 7765 B13R2.32 Nc1c(F)ccc2ccccc12 Amb17594017 [0,1,0,1,0,0|2,0,0]=4 7766 B13R2.32 Nc1c(I)ccc2ccccc12 Amb22491989 [0,1,0,1,0,0|2,0,0]=4 7767 B13R2.32 Nc1c(O)cc[n+]2ccccc12 Amb24309281 [0,1,0,1,0,0|2,0,0]=4 7768 B13R2.32 Nc1c(O)ccc2ccccc12 Amb1088955 [0,1,0,1,0,0|1,0,0]=3 7769 B13R2.32 Nc1c(O)ccc2ccccc12 Amb2592795 [0,1,0,1,0,0|1,0,0]=3 7770 B13R2.32 Nc1c(O)ccc2cccnc12 Amb23440835 [0,1,0,1,0,0|2,0,0]=4 7771 B13R2.32 Nc1c(O)ccc2cccnc12 Amb35748746 [0,1,0,1,0,0|2,0,0]=4 7772 B13R2.32 Nc1c(O)ccc2ccncc12 Amb18830216 [0,1,0,1,0,0|2,0,0]=4 7773 B13R2.32 Nc1c(O)ccc2ccncc12 Amb35747930 [0,1,0,1,0,0|2,0,0]=4 7774 B13R2.32 Nc1c(O)ccc2ccncc12 Amb35748102 [0,1,0,1,0,0|2,0,0]=4 7775 B13R2.32 Nc1c(O)ccc2cnccc12 Amb24071034 [0,1,0,1,0,0|2,0,0]=4 7776 B13R2.32 Nc1c(O)ccc2ncccc12 Amb9676621 [0,1,0,1,0,0|2,0,0]=4 7777 B13R2.32 Nc1c(O)ncc2ccccc12 Amb25249568 [0,1,0,1,0,0|2,0,0]=4 7778 B13R2.32 Nc1c(P)ccc2ccccc12 Amb28186928 [0,1,0,1,0,0|2,0,0]=4 7779 B13R2.32 Nc1c(S)ccc2ccccc12 Amb17594453 [0,1,0,1,0,0|1,1,0]=4 7780 B13R2.32 Nc1ccc2ccccc2c1Br Amb19374680 [0,1,0,1,0,0|2,0,0]=4 7781 B13R2.32 Nc1ccc2ccccc2c1Br Amb4012961 [0,1,0,1,0,0|2,0,0]=4 7782 B13R2.32 Nc1ccc2ccccc2c1Cl Amb4006312 [0,1,0,1,0,0|2,0,0]=4 7783 B13R2.32 Nc1ccc2ccccc2c1F Amb22497545 [0,1,0,1,0,0|2,0,0]=4 7784 B13R2.32 Nc1ccc2ccccc2c1I Amb27407346 [0,1,0,1,0,0|2,0,0]=4 7785 B13R2.32 Nc1ccc2ccccc2c1N Amb16191900 [0,1,0,1,0,0|2,0,0]=4 7786 B13R2.32 Nc1ccc2ccccc2c1O Amb17593980 [0,1,0,1,0,0|1,0,0]=3 7787 B13R2.32 Nc1ccc2ccccc2c1O Amb19930160 [0,1,0,1,0,0|1,0,0]=3 7788 B13R2.32 Nc1ccc2ccccc2c1S Amb18647914 [0,1,0,1,0,0|1,1,0]=4 7789 B13R2.32 Nc1ccc2cccnc2c1O Amb18645295 [0,1,0,1,0,0|2,0,0]=4 7790 B13R2.32 Nc1ccc2ncccc2c1O Amb24071892 [0,1,0,1,0,0|2,0,0]=4 7791 B13R2.32 Nc1cnc2ccccc2c1O Amb23402467 [0,1,0,1,0,0|2,0,0]=4 7792 B13R2.32 O=C1C(Br)=COc2ccccc21 Amb19664799 [0,1,0,1,0,0|2,0,0]=4 7793 B13R2.32 O=C1C(Br)=CSc2ccccc21 Amb21859134 [0,1,0,1,0,0|2,0,0]=4 7794 B13R2.32 O=C1C(Cl)=COc2ccccc21 Amb27492891 [0,1,0,1,0,0|2,0,0]=4 7795 B13R2.32 O=C1C(I)=COc2ccccc21 Amb19887490 [0,1,0,1,0,0|2,0,0]=4 7796 B13R2.32 O=C1C(O)=CSc2ccccc21 Amb20252018 [0,1,0,1,0,0|1,0,0]=3 7797 B13R2.32 O=C1C=Cc2ccccc2C1=O Amb534349 [0,1,0,1,0,0|0,0,1]=3 7798 B13R2.32 O=C1C=Cc2ccccc2C1=S Amb27177701 [0,1,0,1,0,0|0,1,0]=3 7799 B13R2.32 O=C1C=Cc2ccccc2N1O Amb22723451 [0,1,0,1,0,0|0,0,0]=2 7800 B13R2.32 O=C1CCc2ccccc2N1O Amb1099957 [0,1,0,1,0,0|0,0,2]=4 7801 B13R2.32 O=C1COc2ccccc2N1O Amb2423861 [0,1,0,1,0,0|1,0,1]=4 7802 B13R2.32 O=C1N=Cc2ccccc2N1O Amb28248668 [0,1,0,1,0,0|1,0,0]=3 7803 B13R2.32 O=C1NC=C2C=CC=CC2=C1F Amb25269874 [0,1,0,1,0,0|2,0,0]=4 7804 B13R2.32 O=c1c(Br)ccc2ccccn12 Amb2610131 [0,1,0,1,0,0|2,0,0]=4 7805 B13R2.32 O=c1c2ccccc2ncn1O Amb2795808 [0,1,0,1,0,0|2,0,0]=4 7806 B13R2.32 OC1C(=S)C=Cc2ccccc21 Amb26035492 [0,1,0,1,0,0|0,1,0]=3 7807 B13R2.32 OC1C=Cc2ccccc2C1O Amb22227709 [0,1,0,1,0,0|0,0,2]=4 7808 B13R2.32 O[C@@H]1C=Cc2ccccc2[C@H]1O Amb24501437 [0,1,0,1,0,0|0,0,2]=4 7809 B13R2.32 O[C@@H]1c2ccccc2C=C[C@H]1F Amb27261466 [0,1,0,1,0,0|1,0,1]=4 7810 B13R2.32 O[C@H]1C=Cc2ccccc2[C@@H]1O Amb17613051 [0,1,0,1,0,0|0,0,2]=4 7811 B13R2.32 O[C@H]1C=Cc2ccccc2[C@H]1O Amb22353072 [0,1,0,1,0,0|0,0,2]=4 7812 B13R2.32 O[C@H]1c2ccccc2C=C[C@@H]1F Amb28455677 [0,1,0,1,0,0|1,0,1]=4 7813 B13R2.32 O[C@H]1c2ccccc2C=C[C@@H]1S Amb26556175 [0,1,0,1,0,0|0,1,1]=4 7814 B13R2.32 O[C@H]1c2ccccc2C=C[C@H]1O Amb25930973 [0,1,0,1,0,0|0,0,2]=4 7815 B13R2.32 Oc1c(Br)cc[n+]2ccccc12 Amb2613084 [0,1,0,1,0,0|2,0,0]=4 7816 B13R2.32 Oc1c(Br)cc[n+]2ccccc12 Amb27842116 [0,1,0,1,0,0|2,0,0]=4 7817 B13R2.32 Oc1c(Br)ccc2ccccc12 Amb8394123 [0,1,0,1,0,0|1,0,0]=3 7818 B13R2.32 Oc1c(Br)ccc2cccnc12 Amb9807957 [0,1,0,1,0,0|2,0,0]=4 7819 B13R2.32 Oc1c(Br)ccc2ncccc12 Amb27642416 [0,1,0,1,0,0|2,0,0]=4 7820 B13R2.32 Oc1c(Br)cnc2ccccc12 Amb2610838 [0,1,0,1,0,0|2,0,0]=4 7821 B13R2.32 Oc1c(Cl)ccc2ccccc12 Amb17594568 [0,1,0,1,0,0|1,0,0]=3 7822 B13R2.32 Oc1c(Cl)ccc2cccnc12 Amb18648300 [0,1,0,1,0,0|2,0,0]=4 7823 B13R2.32 Oc1c(Cl)ccc2cccnc12 Amb35747482 [0,1,0,1,0,0|2,0,0]=4 7824 B13R2.32 Oc1c(Cl)ccc2ncccc12 Amb26844215 [0,1,0,1,0,0|2,0,0]=4 7825 B13R2.32 Oc1c(Cl)cnc2ccccc12 Amb10241101 [0,1,0,1,0,0|2,0,0]=4 7826 B13R2.32 Oc1c(Cl)ncc2ccccc12 Amb22284687 [0,1,0,1,0,0|2,0,0]=4 7827 B13R2.32 Oc1c(F)ccc2ccccc12 Amb18645623 [0,1,0,1,0,0|1,0,0]=3 7828 B13R2.32 Oc1c(F)ccc2cccnc12 Amb15693133 [0,1,0,1,0,0|2,0,0]=4 7829 B13R2.32 Oc1c(F)cnc2ccccc12 Amb24650731 [0,1,0,1,0,0|2,0,0]=4 7830 B13R2.32 Oc1c(I)ccc2ccccc12 Amb26478044 [0,1,0,1,0,0|1,0,0]=3 7831 B13R2.32 Oc1c(I)ccc2cccnc12 Amb22752325 [0,1,0,1,0,0|2,0,0]=4 7832 B13R2.32 Oc1c(I)ccc2ncccc12 Amb25941783 [0,1,0,1,0,0|2,0,0]=4 7833 B13R2.32 Oc1c(I)cnc2ccccc12 Amb22491992 [0,1,0,1,0,0|2,0,0]=4 7834 B13R2.32 Oc1ccc2ccccc2c1Br Amb6399651 [0,1,0,1,0,0|1,0,0]=3 7835 B13R2.32 Oc1ccc2ccccc2c1Cl Amb17594574 [0,1,0,1,0,0|1,0,0]=3 7836 B13R2.32 Oc1ccc2ccccc2c1F Amb18645624 [0,1,0,1,0,0|1,0,0]=3 7837 B13R2.32 Oc1ccc2ccccc2c1I Amb2782872 [0,1,0,1,0,0|1,0,0]=3 7838 B13R2.32 Oc1ccc2ccccc2c1O Amb18054059 [0,1,0,1,0,0|0,0,1]=3 7839 B13R2.32 Oc1ccc2ccccc2c1S Amb20093303 [0,1,0,1,0,0|0,1,0]=3 7840 B13R2.32 Oc1ccc2cccnc2c1Br Amb21864974 [0,1,0,1,0,0|2,0,0]=4 7841 B13R2.32 Oc1ccc2cccnc2c1Br Amb28719639 [0,1,0,1,0,0|2,0,0]=4 7842 B13R2.32 Oc1ccc2cccnc2c1Cl Amb23437336 [0,1,0,1,0,0|2,0,0]=4 7843 B13R2.32 Oc1ccc2cccnc2c1F Amb23437338 [0,1,0,1,0,0|2,0,0]=4 7844 B13R2.32 Oc1ccc2cccnc2c1I Amb23437337 [0,1,0,1,0,0|2,0,0]=4 7845 B13R2.32 Oc1ccc2ccncc2c1Br Amb23441146 [0,1,0,1,0,0|2,0,0]=4 7846 B13R2.32 Oc1ccc2ccncc2c1Cl Amb17594597 [0,1,0,1,0,0|2,0,0]=4 7847 B13R2.32 Oc1ccc2ccncc2c1O Amb27460768 [0,1,0,1,0,0|1,0,1]=4 7848 B13R2.32 Oc1ccc2ncccc2c1Br Amb18658841 [0,1,0,1,0,0|2,0,0]=4 7849 B13R2.32 Oc1ccc2ncccc2c1Br Amb33803387 [0,1,0,1,0,0|2,0,0]=4 7850 B13R2.32 Oc1ccc2ncccc2c1Cl Amb22757138 [0,1,0,1,0,0|2,0,0]=4 7851 B13R2.32 Oc1ccc2ncccc2c1F Amb22728877 [0,1,0,1,0,0|2,0,0]=4 7852 B13R2.32 Oc1ccc2ncccc2c1I Amb23437325 [0,1,0,1,0,0|2,0,0]=4 7853 B13R2.32 Oc1ccc2ncccc2c1O Amb27442475 [0,1,0,1,0,0|1,0,1]=4 7854 B13R2.32 Oc1ccc2ncccc2c1O Amb33802648 [0,1,0,1,0,0|1,0,1]=4 7855 B13R2.32 Oc1cnc2ccccc2c1Br Amb8438944 [0,1,0,1,0,0|2,0,0]=4 7856 B13R2.32 Oc1cnc2ccccc2c1Cl Amb18648301 [0,1,0,1,0,0|2,0,0]=4 7857 B13R2.32 Oc1cnc2ccccc2c1Cl Amb32653571 [0,1,0,1,0,0|2,0,0]=4 7858 B13R2.32 Oc1cnc2ccccc2c1F Amb27592408 [0,1,0,1,0,0|2,0,0]=4 7859 B13R2.32 Oc1cnc2ccccc2c1I Amb22752326 [0,1,0,1,0,0|2,0,0]=4 7860 B13R2.32 Oc1cnc2ccccc2c1O Amb5718045 [0,1,0,1,0,0|1,0,1]=4 7861 B13R2.32 Oc1cnc2ccccc2c1S Amb18127892 [0,1,0,1,0,0|1,1,0]=4 7862 B13R2.32 [NH3+]c1c(O)ccc2ccccc12 Amb22489532 [0,1,0,1,0,0|1,0,0]=3 7863 B13R2.32 [NH3+]c1c([O-])ccc2ccccc12 Amb4268650 [0,1,0,1,0,0|1,0,1]=4 7864 B13R2.32 [NH3+]c1ccc2cccnc2c1O Amb32510249 [0,1,0,1,0,0|2,0,0]=4 7865 B13R2.32 [O-][n+]1c(Cl)ccc2ccccc21 Amb27439580 [0,1,0,1,0,0|1,0,1]=4 7866 B13R2.32 [O-][n+]1c(S)ccc2ccccc21 Amb27438214 [0,1,0,1,0,0|0,1,1]=4 7867 B13R2.33 CC1=NNc2ccccc2C=C1 Amb27421335 [0,1,0,1,0,0|2,0,0]=4 7868 B13R2.33 NC1=NNc2ccccc2C=C1 Amb27974235 [0,1,0,1,0,0|2,0,0]=4 7869 B13R2.33 O=C1C=Cc2ccccc2C=C1 Amb21952910 [0,1,0,1,0,0|1,0,0]=3 7870 B13R2.33 O=C1C=Cc2ccccc2CC1 Amb17593958 [0,1,0,1,0,0|1,0,0]=3 7871 B13R2.33 O=C1C=Cc2ccccc2CN1 Amb8630983 [0,1,0,1,0,0|1,0,0]=3 7872 B13R2.33 O=C1C=Cc2ccccc2OC1 Amb27175937 [0,1,0,1,0,0|0,0,0]=2 7873 B13R2.33 O=C1C=Cc2cccnc2C=C1 Amb27854920 [0,1,0,1,0,0|2,0,0]=4 7874 B13R2.33 O=C1C=Nc2ccccc2C=N1 Amb22489908 [0,1,0,1,0,0|2,0,0]=4 7875 B13R2.33 O=C1C=Nc2ccccc2CN1 Amb27643583 [0,1,0,1,0,0|2,0,0]=4 7876 B13R2.33 O=C1CCc2ccccc2OC1 Amb26925695 [0,1,0,1,0,0|0,0,2]=4 7877 B13R2.33 O=C1COc2ccccc2CN1 Amb2137257 [0,1,0,1,0,0|1,0,1]=4 7878 B13R2.33 O=C1COc2ccccc2SC1 Amb27616915 [0,1,0,1,0,0|1,0,1]=4 7879 B13R2.33 O[C@@H]1C=Cc2ccccc2CC1 Amb27197625 [0,1,0,1,0,0|1,0,1]=4 7880 B13R2.57 BrCc1ccc2ccccc2c1 Amb2609043 [0,1,0,1,0,0|2,0,0]=4 7881 B13R2.57 BrCc1ccc2ccccc2n1 Amb21857522 [0,1,0,1,0,0|2,0,0]=4 7882 B13R2.57 BrCc1ccc2ccccc2n1 Amb8397282 [0,1,0,1,0,0|2,0,0]=4 7883 B13R2.57 C#Cc1ccc2ccccc2c1 Amb10071054 [0,1,0,1,0,0|2,0,0]=4 7884 B13R2.57 C#Cc1ccc2ccccc2n1 Amb22490538 [0,1,0,1,0,0|2,0,0]=4 7885 B13R2.57 C=Cc1ccc2ccccc2c1 Amb8394029 [0,1,0,1,0,0|2,0,0]=4 7886 B13R2.57 C=Cc1ccc2ccccc2n1 Amb10071967 [0,1,0,1,0,0|2,0,0]=4 7887 B13R2.57 CCc1ccc2ccccc2c1 Amb6298320 [0,1,0,1,0,0|2,0,0]=4 7888 B13R2.57 CCc1ccc2ccccc2n1 Amb20667571 [0,1,0,1,0,0|2,0,0]=4 7889 B13R2.57 CNc1ccc2ccccc2c1 Amb415893 [0,1,0,1,0,0|2,0,0]=4 7890 B13R2.57 CNc1ccc2ccccc2n1 Amb6627062 [0,1,0,1,0,0|2,0,0]=4 7891 B13R2.57 COc1cc2ccccc2cn1 Amb25861237 [0,1,0,1,0,0|2,0,0]=4 7892 B13R2.57 COc1ccc2ccccc2c1 Amb2610832 [0,1,0,1,0,0|1,0,0]=3 7893 B13R2.57 COc1ccc2ccccc2n1 Amb20171196 [0,1,0,1,0,0|1,0,0]=3 7894 B13R2.57 COc1ccc2cccnc2c1 Amb17617089 [0,1,0,1,0,0|2,0,0]=4 7895 B13R2.57 COc1ccc2cccnc2c1 Amb24183299 [0,1,0,1,0,0|2,0,0]=4 7896 B13R2.57 COc1ccc2cccnc2n1 Amb27624881 [0,1,0,1,0,0|2,0,0]=4 7897 B13R2.57 COc1ccc2ccncc2c1 Amb10610318 [0,1,0,1,0,0|2,0,0]=4 7898 B13R2.57 COc1ccc2ccncc2c1 Amb5638098 [0,1,0,1,0,0|2,0,0]=4 7899 B13R2.57 COc1ccc2cnccc2c1 Amb10071944 [0,1,0,1,0,0|2,0,0]=4 7900 B13R2.57 COc1ccc2cnccc2c1 Amb22236031 [0,1,0,1,0,0|2,0,0]=4 7901 B13R2.57 COc1ccc2ncccc2c1 Amb1156981 [0,1,0,1,0,0|2,0,0]=4 7902 B13R2.57 COc1ccc2ncccc2n1 Amb27453648 [0,1,0,1,0,0|2,0,0]=4 7903 B13R2.57 COc1cnc2ccccc2c1 Amb19957896 [0,1,0,1,0,0|2,0,0]=4 7904 B13R2.57 COc1ncc2ccccc2n1 Amb22745160 [0,1,0,1,0,0|2,0,0]=4 7905 B13R2.57 CSc1ccc2ccccc2c1 Amb2609071 [0,1,0,1,0,0|1,1,0]=4 7906 B13R2.57 CSc1ccc2ccccc2n1 Amb6477854 [0,1,0,1,0,0|1,1,0]=4 7907 B13R2.57 ClCC1=CCc2ccccc2O1 Amb27642028 [0,1,0,1,0,0|1,0,1]=4 7908 B13R2.57 ClCC1C=Cc2ccccc2O1 Amb27603401 [0,1,0,1,0,0|1,0,1]=4 7909 B13R2.57 ClCc1ccc2ccccc2[nH+]1 Amb24113853 [0,1,0,1,0,0|2,0,0]=4 7910 B13R2.57 ClCc1ccc2ccccc2c1 Amb2796492 [0,1,0,1,0,0|2,0,0]=4 7911 B13R2.57 ClCc1ccc2ccccc2n1 Amb6892745 [0,1,0,1,0,0|2,0,0]=4 7912 B13R2.57 FCc1ccc2ccccc2c1 Amb28139672 [0,1,0,1,0,0|2,0,0]=4 7913 B13R2.57 ICc1ccc2ccccc2n1 Amb28141827 [0,1,0,1,0,0|2,0,0]=4 7914 B13R2.57 N#CC1=COc2ccccc2O1 Amb27416465 [0,1,0,1,0,0|2,0,0]=4 7915 B13R2.57 N#Cc1ccc2ccccc2c1 Amb4009131 [0,1,0,1,0,0|2,0,0]=4 7916 B13R2.57 N#Cc1ccc2ccccc2n1 Amb1063463 [0,1,0,1,0,0|2,0,0]=4 7917 B13R2.57 N=Cc1ccc2ccccc2n1 Amb27642853 [0,1,0,1,0,0|2,0,0]=4 7918 B13R2.57 NCC1=COc2ccccc2O1 Amb18645814 [0,1,0,1,0,0|2,0,0]=4 7919 B13R2.57 NCc1ccc2ccccc2c1 Amb1120053 [0,1,0,1,0,0|2,0,0]=4 7920 B13R2.57 NCc1ccc2ccccc2c1 Amb19957972 [0,1,0,1,0,0|2,0,0]=4 7921 B13R2.57 NCc1ccc2ccccc2c1 Amb7969859 [0,1,0,1,0,0|2,0,0]=4 7922 B13R2.57 NCc1ccc2ccccc2n1 Amb1139476 [0,1,0,1,0,0|2,0,0]=4 7923 B13R2.57 NCc1ccc2ccccc2n1 Amb15695438 [0,1,0,1,0,0|2,0,0]=4 7924 B13R2.57 NCc1ccc2ccccc2n1 Amb7990033 [0,1,0,1,0,0|2,0,0]=4 7925 B13R2.57 NNc1ccc2ccccc2c1 Amb1772358 [0,1,0,1,0,0|2,0,0]=4 7926 B13R2.57 NNc1ccc2ccccc2c1 Amb6296513 [0,1,0,1,0,0|2,0,0]=4 7927 B13R2.57 NNc1ccc2ccccc2n1 Amb1105542 [0,1,0,1,0,0|2,0,0]=4 7928 B13R2.57 NOc1ccc2ncccc2c1 Amb24397483 [0,1,0,1,0,0|2,0,0]=4 7929 B13R2.57 O=CC1=CNc2ccccc2C1 Amb25152519 [0,1,0,1,0,0|2,0,0]=4 7930 B13R2.57 O=CC1=COc2ccccc2O1 Amb25348637 [0,1,0,1,0,0|1,0,0]=3 7931 B13R2.57 O=CC1=CSc2ccccc2S1 Amb28239532 [0,1,0,1,0,0|1,1,0]=4 7932 B13R2.57 O=Cc1cc2ccccc2cn1 Amb8010573 [0,1,0,1,0,0|2,0,0]=4 7933 B13R2.57 O=Cc1ccc2ccccc2c1 Amb3939951 [0,1,0,1,0,0|1,0,0]=3 7934 B13R2.57 O=Cc1ccc2ccccc2n1 Amb533663 [0,1,0,1,0,0|1,0,0]=3 7935 B13R2.57 O=Cc1ccc2cccnc2c1 Amb2548373 [0,1,0,1,0,0|2,0,0]=4 7936 B13R2.57 O=Cc1ccc2cccnc2n1 Amb1323330 [0,1,0,1,0,0|2,0,0]=4 7937 B13R2.57 O=Cc1ccc2ccncc2c1 Amb8010572 [0,1,0,1,0,0|2,0,0]=4 7938 B13R2.57 O=Cc1ccc2ccncc2n1 Amb22498133 [0,1,0,1,0,0|2,0,0]=4 7939 B13R2.57 O=Cc1ccc2cnccc2c1 Amb8010571 [0,1,0,1,0,0|2,0,0]=4 7940 B13R2.57 O=Cc1ccc2cnccc2n1 Amb3931332 [0,1,0,1,0,0|2,0,0]=4 7941 B13R2.57 O=Cc1ccc2ncccc2c1 Amb1266161 [0,1,0,1,0,0|2,0,0]=4 7942 B13R2.57 O=Cc1ccc2ncccc2n1 Amb25292132 [0,1,0,1,0,0|2,0,0]=4 7943 B13R2.57 O=Cc1cnc2ccccc2c1 Amb1995106 [0,1,0,1,0,0|2,0,0]=4 7944 B13R2.57 O=Cc1cnc2ccccc2n1 Amb6315572 [0,1,0,1,0,0|2,0,0]=4 7945 B13R2.57 O=Nc1ccc2ccccc2c1 Amb27170669 [0,1,0,1,0,0|1,0,0]=3 7946 B13R2.57 OCC1=CNc2ccccc2N1 Amb24309070 [0,1,0,1,0,0|2,0,0]=4 7947 B13R2.57 OCC1C=Cc2ccccc2O1 Amb27416664 [0,1,0,1,0,0|0,0,2]=4 7948 B13R2.57 OCc1cc2ccccc2cn1 Amb8439028 [0,1,0,1,0,0|2,0,0]=4 7949 B13R2.57 OCc1ccc2ccccc2c1 Amb2389960 [0,1,0,1,0,0|1,0,0]=3 7950 B13R2.57 OCc1ccc2ccccc2n1 Amb1154605 [0,1,0,1,0,0|1,0,0]=3 7951 B13R2.57 OCc1ccc2cccnc2c1 Amb19105058 [0,1,0,1,0,0|2,0,0]=4 7952 B13R2.57 OCc1ccc2cccnc2n1 Amb28076129 [0,1,0,1,0,0|2,0,0]=4 7953 B13R2.57 OCc1ccc2ccncc2c1 Amb19104916 [0,1,0,1,0,0|2,0,0]=4 7954 B13R2.57 OCc1ccc2cnccc2c1 Amb10070398 [0,1,0,1,0,0|2,0,0]=4 7955 B13R2.57 OCc1ccc2ncccc2c1 Amb1995120 [0,1,0,1,0,0|2,0,0]=4 7956 B13R2.57 OCc1ccc2ncccc2n1 Amb27166704 [0,1,0,1,0,0|2,0,0]=4 7957 B13R2.57 OCc1cnc2ccccc2c1 Amb1995109 [0,1,0,1,0,0|2,0,0]=4 7958 B13R2.57 OCc1cnc2ccccc2c1 Amb20668047 [0,1,0,1,0,0|2,0,0]=4 7959 B13R2.57 OCc1cnc2ccccc2n1 Amb33532423 [0,1,0,1,0,0|2,0,0]=4 7960 B13R2.57 SCc1ccc2ccccc2c1 Amb21943705 [0,1,0,1,0,0|1,1,0]=4 7961 B13R2.57 SCc1ccc2ccccc2n1 Amb28200238 [0,1,0,1,0,0|1,1,0]=4 7962 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 Amb22348022 [0,1,0,1,0,0|2,0,0]=4 7963 B13R2.57 [C-]#[N+]c1ccc2ccccc2n1 Amb33200400 [0,1,0,1,0,0|2,0,0]=4 7964 B13R2.373 C=C1C(=O)N[C@H]1c2ccccc2 Amb28243927 [0,1,0,1,0,0|1,0,1]=4 7965 B13R2.373 CC1C(=O)C=C1c2ccccc2 Amb27770129 [0,1,0,1,0,0|1,0,0]=3 7966 B13R2.373 CN1C(O)=CC1c2ccccc2 Amb27424055 [0,1,0,1,0,0|1,0,1]=4 7967 B13R2.373 O=C1C=C(c2ccccc2)C1=O Amb22172059 [0,1,0,1,0,0|0,0,1]=3 7968 B13R2.373 O=C1CC(c2ccccc2)C1=O Amb27245972 [0,1,0,1,0,0|1,0,1]=4 7969 B13R2.373 O=C1NC(c2ccccc2)C1O Amb25272921 [0,1,0,1,0,0|1,0,1]=4 7970 B13R2.373 O=C1N[C@@H](c2ccccc2)[C@@H]1O Amb27195840 [0,1,0,1,0,0|1,0,1]=4 7971 B13R2.373 O=C1N[C@@H](c2ccccc2)[C@H]1O Amb17615687 [0,1,0,1,0,0|1,0,1]=4 7972 B13R2.373 O=C1N[C@H](c2ccccc2)[C@@H]1O Amb26629123 [0,1,0,1,0,0|1,0,1]=4 7973 B13R2.373 O=C1OC(c2ccccc2)C1Cl Amb27178098 [0,1,0,1,0,0|0,0,2]=4 7974 B13R2.3203 CC1(\C=C\c2ccccc2)CO1 Amb33080798 [0,1,0,1,0,0|1,0,1]=4 7975 B13R2.3203 OC1(\C=C/c2ccccc2)CC1 Amb26873373 [0,1,0,1,0,0|1,0,1]=4 7976 B13R2.3203 OC1(\C=C\c2ccccc2)CC1 Amb27967099 [0,1,0,1,0,0|1,0,1]=4 7977 B13R2.15272 COC(=O)C1Cc2ccccc21 Amb27616823 [0,1,0,1,0,0|0,0,2]=4 7978 B13R2.359 CC1=Cc2ccccc2S1(=O)=O Amb5717428 [0,1,0,1,0,0|1,0,1]=4 7979 B13R2.359 O=S1(=O)C(Br)=Cc2ccccc21 Amb5720553 [0,1,0,1,0,0|1,0,1]=4 7980 B13R2.369 Brc1cc2ccccc2cc1Br Amb4027856 [0,1,0,1,0,0|2,0,0]=4 7981 B13R2.369 Brc1cc2ccccc2cc1I Amb13883628 [0,1,0,1,0,0|2,0,0]=4 7982 B13R2.369 Brc1cc2ccccc2nc1Br Amb2609656 [0,1,0,1,0,0|2,0,0]=4 7983 B13R2.369 Brc1cc2ccccc2nc1I Amb24483630 [0,1,0,1,0,0|2,0,0]=4 7984 B13R2.369 Brc1nc2ccccc2cc1I Amb27665904 [0,1,0,1,0,0|2,0,0]=4 7985 B13R2.369 C=C1C=C2C=CC=CC2=CC1=O Amb27175861 [0,1,0,1,0,0|1,0,0]=3 7986 B13R2.369 C=C1Nc2ccccc2OC1=O Amb25996357 [0,1,0,1,0,0|1,0,0]=3 7987 B13R2.369 CC1=Cc2ccccc2NC1=O Amb19115338 [0,1,0,1,0,0|1,0,0]=3 7988 B13R2.369 CC1=Cc2ccccc2OC1=O Amb20247474 [0,1,0,1,0,0|0,0,0]=2 7989 B13R2.369 CC1=Cc2cccnc2NC1=O Amb22497900 [0,1,0,1,0,0|2,0,0]=4 7990 B13R2.369 CC1=Cc2cnccc2NC1=O Amb27876494 [0,1,0,1,0,0|2,0,0]=4 7991 B13R2.369 CC1=Nc2ccccc2NC1=O Amb18368610 [0,1,0,1,0,0|2,0,0]=4 7992 B13R2.369 CC1=Nc2ccccc2OC1=O Amb27482974 [0,1,0,1,0,0|1,0,0]=3 7993 B13R2.369 CC1C=C2C=CC=CC2=NC1=O Amb22015245 [0,1,0,1,0,0|1,0,1]=4 7994 B13R2.369 CC1Nc2ccccc2OC1=O Amb17217247 [0,1,0,1,0,0|1,0,1]=4 7995 B13R2.369 CN1Cc2ccccc2OC1=O Amb28244326 [0,1,0,1,0,0|1,0,1]=4 7996 B13R2.369 Cc1cc2ccccc2cc1Br Amb22228668 [0,1,0,1,0,0|2,0,0]=4 7997 B13R2.369 Cc1cc2ccccc2cc1C Amb4012683 [0,1,0,1,0,0|2,0,0]=4 7998 B13R2.369 Cc1cc2ccccc2cc1Cl Amb24408885 [0,1,0,1,0,0|2,0,0]=4 7999 B13R2.369 Cc1cc2ccccc2cc1F Amb24484265 [0,1,0,1,0,0|2,0,0]=4 8000 B13R2.369 Cc1cc2ccccc2cc1I Amb26457588 [0,1,0,1,0,0|2,0,0]=4 8001 B13R2.369 Cc1cc2ccccc2cc1N Amb22751118 [0,1,0,1,0,0|2,0,0]=4 8002 B13R2.369 Cc1cc2ccccc2cc1O Amb22262990 [0,1,0,1,0,0|1,0,0]=3 8003 B13R2.369 Cc1cc2ccccc2nc1Br Amb4057225 [0,1,0,1,0,0|2,0,0]=4 8004 B13R2.369 Cc1cc2ccccc2nc1C Amb2411347 [0,1,0,1,0,0|2,0,0]=4 8005 B13R2.369 Cc1cc2ccccc2nc1Cl Amb2447526 [0,1,0,1,0,0|2,0,0]=4 8006 B13R2.369 Cc1cc2ccccc2nc1F Amb34164902 [0,1,0,1,0,0|2,0,0]=4 8007 B13R2.369 Cc1cc2ccccc2nc1I Amb27840817 [0,1,0,1,0,0|2,0,0]=4 8008 B13R2.369 Cc1cc2ccccc2nc1N Amb9134109 [0,1,0,1,0,0|2,0,0]=4 8009 B13R2.369 Cc1cc2ccccc2nc1S Amb2786384 [0,1,0,1,0,0|1,1,0]=4 8010 B13R2.369 Cc1cc2cccnc2cc1O Amb18645153 [0,1,0,1,0,0|2,0,0]=4 8011 B13R2.369 Cc1cc2ccncc2cc1O Amb27262920 [0,1,0,1,0,0|2,0,0]=4 8012 B13R2.369 Cc1cc2cnccc2cc1O Amb21963927 [0,1,0,1,0,0|2,0,0]=4 8013 B13R2.369 Cc1cc2ncccc2cc1O Amb18645152 [0,1,0,1,0,0|2,0,0]=4 8014 B13R2.369 Cc1cc2ncccc2cc1O Amb35747831 [0,1,0,1,0,0|2,0,0]=4 8015 B13R2.369 Cc1cc2ncccc2nc1O Amb7101465 [0,1,0,1,0,0|2,0,0]=4 8016 B13R2.369 Cc1nc2ccccc2cc1Br Amb2720703 [0,1,0,1,0,0|2,0,0]=4 8017 B13R2.369 Cc1nc2ccccc2cc1I Amb27628637 [0,1,0,1,0,0|2,0,0]=4 8018 B13R2.369 Cc1nc2ccccc2cc1N Amb18062093 [0,1,0,1,0,0|2,0,0]=4 8019 B13R2.369 Cc1nc2ccccc2cc1N Amb20239532 [0,1,0,1,0,0|2,0,0]=4 8020 B13R2.369 Cc1nc2ccccc2cc1O Amb660984 [0,1,0,1,0,0|2,0,0]=4 8021 B13R2.369 Cc1nc2ccccc2nc1O Amb631810 [0,1,0,1,0,0|2,0,0]=4 8022 B13R2.369 Clc1cc2ccccc2cc1Br Amb26539587 [0,1,0,1,0,0|2,0,0]=4 8023 B13R2.369 Clc1cc2ccccc2cc1Cl Amb22730503 [0,1,0,1,0,0|2,0,0]=4 8024 B13R2.369 Clc1cc2ccccc2nc1Cl Amb19958556 [0,1,0,1,0,0|2,0,0]=4 8025 B13R2.369 Clc1cc2ccccc2nc1I Amb27603446 [0,1,0,1,0,0|2,0,0]=4 8026 B13R2.369 Clc1nc2ccccc2cc1Br Amb10606855 [0,1,0,1,0,0|2,0,0]=4 8027 B13R2.369 Fc1cc2ccccc2cc1Br Amb25351655 [0,1,0,1,0,0|2,0,0]=4 8028 B13R2.369 Fc1cc2ccccc2cc1Cl Amb24606517 [0,1,0,1,0,0|2,0,0]=4 8029 B13R2.369 Fc1cc2ccccc2cc1F Amb25100177 [0,1,0,1,0,0|2,0,0]=4 8030 B13R2.369 Fc1cc2ccccc2cc1I Amb28436689 [0,1,0,1,0,0|2,0,0]=4 8031 B13R2.369 Fc1cc2ccccc2nc1Br Amb22547372 [0,1,0,1,0,0|2,0,0]=4 8032 B13R2.369 Fc1cc2ccccc2nc1Cl Amb26328980 [0,1,0,1,0,0|2,0,0]=4 8033 B13R2.369 Fc1cc2ccccc2nc1I Amb25797787 [0,1,0,1,0,0|2,0,0]=4 8034 B13R2.369 Fc1nc2ccccc2cc1Br Amb25897111 [0,1,0,1,0,0|2,0,0]=4 8035 B13R2.369 Ic1cc2ccccc2cc1I Amb21954221 [0,1,0,1,0,0|2,0,0]=4 8036 B13R2.369 N=C1Nc2ccccc2NC1=O Amb19804517 [0,1,0,1,0,0|2,0,0]=4 8037 B13R2.369 N=C1Nc2ccccc2OC1=O Amb20053203 [0,1,0,1,0,0|1,0,0]=3 8038 B13R2.369 NC1=Cc2ccccc2NC1=S Amb24373878 [0,1,0,1,0,0|1,1,0]=4 8039 B13R2.369 NC1=Cc2ccccc2OC1=O Amb18511494 [0,1,0,1,0,0|0,0,0]=2 8040 B13R2.369 NC1=Cc2cnccc2NC1=O Amb32418303 [0,1,0,1,0,0|2,0,0]=4 8041 B13R2.369 NC1Cc2ccccc2OC1=O Amb18645811 [0,1,0,1,0,0|0,0,2]=4 8042 B13R2.369 Nc1cc2ccccc2cc1Br Amb2610350 [0,1,0,1,0,0|2,0,0]=4 8043 B13R2.369 Nc1cc2ccccc2cc1Cl Amb18648080 [0,1,0,1,0,0|2,0,0]=4 8044 B13R2.369 Nc1cc2ccccc2cc1F Amb26978863 [0,1,0,1,0,0|2,0,0]=4 8045 B13R2.369 Nc1cc2ccccc2cc1I Amb21955955 [0,1,0,1,0,0|2,0,0]=4 8046 B13R2.369 Nc1cc2ccccc2cc1N Amb2710387 [0,1,0,1,0,0|2,0,0]=4 8047 B13R2.369 Nc1cc2ccccc2cc1O Amb2781576 [0,1,0,1,0,0|1,0,0]=3 8048 B13R2.369 Nc1cc2ccccc2nc1Br Amb22499505 [0,1,0,1,0,0|2,0,0]=4 8049 B13R2.369 Nc1cc2ccccc2nc1Cl Amb22263229 [0,1,0,1,0,0|2,0,0]=4 8050 B13R2.369 Nc1cc2ccccc2nc1O Amb18645300 [0,1,0,1,0,0|1,0,0]=3 8051 B13R2.369 Nc1cc2cccnc2cc1O Amb26586376 [0,1,0,1,0,0|2,0,0]=4 8052 B13R2.369 Nc1cc2cccnc2nc1O Amb13881382 [0,1,0,1,0,0|2,0,0]=4 8053 B13R2.369 Nc1cc2ccncc2cc1O Amb18830217 [0,1,0,1,0,0|2,0,0]=4 8054 B13R2.369 Nc1cc2ncccc2cc1O Amb25966047 [0,1,0,1,0,0|2,0,0]=4 8055 B13R2.369 Nc1nc2ccccc2cc1Br Amb21962044 [0,1,0,1,0,0|2,0,0]=4 8056 B13R2.369 Nc1nc2ccccc2cc1F Amb25800913 [0,1,0,1,0,0|2,0,0]=4 8057 B13R2.369 Nc1nc2ccccc2cc1O Amb27471786 [0,1,0,1,0,0|2,0,0]=4 8058 B13R2.369 O=C1Cc2ccccc2OC1=O Amb22755081 [0,1,0,1,0,0|0,0,1]=3 8059 B13R2.369 O=C1N=C2C=CC=CC2=CC1Cl Amb22015161 [0,1,0,1,0,0|1,0,1]=4 8060 B13R2.369 O=C1Nc2ccccc2C=C1Br Amb20247010 [0,1,0,1,0,0|1,0,0]=3 8061 B13R2.369 O=C1Nc2ccccc2C=C1Cl Amb21857147 [0,1,0,1,0,0|1,0,0]=3 8062 B13R2.369 O=C1Nc2ccccc2C=C1F Amb22547229 [0,1,0,1,0,0|1,0,0]=3 8063 B13R2.369 O=C1Nc2ccccc2C=C1O Amb20619410 [0,1,0,1,0,0|1,0,0]=3 8064 B13R2.369 O=C1Nc2ccccc2NC1=O Amb18545062 [0,1,0,1,0,0|2,0,0]=4 8065 B13R2.369 O=C1Nc2ccccc2NC1=S Amb19654259 [0,1,0,1,0,0|2,0,0]=4 8066 B13R2.369 O=C1Nc2ccccc2OC1=O Amb19650977 [0,1,0,1,0,0|1,0,0]=3 8067 B13R2.369 O=C1Nc2ccccc2SC1=O Amb27949655 [0,1,0,1,0,0|1,1,0]=4 8068 B13R2.369 O=C1Nc2cccnc2C=C1Br Amb20671324 [0,1,0,1,0,0|2,0,0]=4 8069 B13R2.369 O=C1Nc2ccncc2C=C1Br Amb26647449 [0,1,0,1,0,0|2,0,0]=4 8070 B13R2.369 O=C1Nc2ccncc2C=C1Cl Amb27587506 [0,1,0,1,0,0|2,0,0]=4 8071 B13R2.369 O=C1Nc2ccncc2C=C1O Amb25034645 [0,1,0,1,0,0|2,0,0]=4 8072 B13R2.369 O=C1Oc2ccccc2C=C1Br Amb19655979 [0,1,0,1,0,0|0,0,0]=2 8073 B13R2.369 O=C1Oc2ccccc2C=C1F Amb22547186 [0,1,0,1,0,0|0,0,0]=2 8074 B13R2.369 O=C1Oc2ccccc2C=C1O Amb18511465 [0,1,0,1,0,0|0,0,0]=2 8075 B13R2.369 O=C1Oc2ccccc2C=C1S Amb27173626 [0,1,0,1,0,0|0,0,0]=2 8076 B13R2.369 O=C1Oc2ccccc2N=C1Cl Amb21858712 [0,1,0,1,0,0|1,0,0]=3 8077 B13R2.369 O=C1Oc2ccccc2N=C1O Amb22494623 [0,1,0,1,0,0|1,0,0]=3 8078 B13R2.369 O=C1Oc2ccccc2NC1=S Amb27947432 [0,1,0,1,0,0|1,0,0]=3 8079 B13R2.369 O=C1Oc2ccccc2NC1Cl Amb27444661 [0,1,0,1,0,0|1,0,1]=4 8080 B13R2.369 O=C1Oc2ccccc2NC1O Amb27767886 [0,1,0,1,0,0|1,0,1]=4 8081 B13R2.369 O=C1Sc2ccccc2C=C1Br Amb19886583 [0,1,0,1,0,0|0,1,0]=3 8082 B13R2.369 O=C1Sc2ccccc2C=C1Cl Amb22347336 [0,1,0,1,0,0|0,1,0]=3 8083 B13R2.369 O=C1Sc2ccccc2C=C1F Amb22641706 [0,1,0,1,0,0|0,1,0]=3 8084 B13R2.369 OC1Oc2ccccc2C=C1Cl Amb27218912 [0,1,0,1,0,0|0,0,2]=4 8085 B13R2.369 Oc1cc2ccccc2cc1Br Amb17596080 [0,1,0,1,0,0|1,0,0]=3 8086 B13R2.369 Oc1cc2ccccc2cc1Cl Amb4010282 [0,1,0,1,0,0|1,0,0]=3 8087 B13R2.369 Oc1cc2ccccc2cc1F Amb26494442 [0,1,0,1,0,0|1,0,0]=3 8088 B13R2.369 Oc1cc2ccccc2cc1I Amb25148790 [0,1,0,1,0,0|1,0,0]=3 8089 B13R2.369 Oc1cc2ccccc2cc1O Amb6296607 [0,1,0,1,0,0|1,0,0]=3 8090 B13R2.369 Oc1cc2ccccc2nc1Br Amb18134374 [0,1,0,1,0,0|2,0,0]=4 8091 B13R2.369 Oc1cc2ccccc2nc1Cl Amb21963885 [0,1,0,1,0,0|2,0,0]=4 8092 B13R2.369 Oc1cc2ccccc2nc1F Amb27244594 [0,1,0,1,0,0|2,0,0]=4 8093 B13R2.369 Oc1cc2ccccc2nc1I Amb28187128 [0,1,0,1,0,0|2,0,0]=4 8094 B13R2.369 Oc1cc2cccnc2cc1Br Amb18658931 [0,1,0,1,0,0|2,0,0]=4 8095 B13R2.369 Oc1cc2cccnc2cc1Br Amb33734275 [0,1,0,1,0,0|2,0,0]=4 8096 B13R2.369 Oc1cc2cccnc2cc1Cl Amb23403182 [0,1,0,1,0,0|2,0,0]=4 8097 B13R2.369 Oc1cc2cccnc2cc1F Amb23437334 [0,1,0,1,0,0|2,0,0]=4 8098 B13R2.369 Oc1cc2cccnc2cc1I Amb23437335 [0,1,0,1,0,0|2,0,0]=4 8099 B13R2.369 Oc1cc2cccnc2cc1O Amb17594015 [0,1,0,1,0,0|2,0,0]=4 8100 B13R2.369 Oc1cc2ccncc2cc1Br Amb28244392 [0,1,0,1,0,0|2,0,0]=4 8101 B13R2.369 Oc1cc2cnccc2cc1Br Amb24453966 [0,1,0,1,0,0|2,0,0]=4 8102 B13R2.369 Oc1cc2ncccc2cc1Br Amb27154500 [0,1,0,1,0,0|2,0,0]=4 8103 B13R2.369 Oc1cc2ncccc2cc1Cl Amb27175729 [0,1,0,1,0,0|2,0,0]=4 8104 B13R2.369 Oc1cc2ncccc2cc1I Amb25771696 [0,1,0,1,0,0|2,0,0]=4 8105 B13R2.369 Oc1nc2ccccc2cc1Br Amb10608236 [0,1,0,1,0,0|1,0,0]=3 8106 B13R2.369 Oc1nc2ccccc2nc1Cl Amb22497412 [0,1,0,1,0,0|2,0,0]=4 8107 B13R2.369 Oc1nc2ccccc2nc1O Amb6334823 [0,1,0,1,0,0|2,0,0]=4 8108 B13R2.369 Oc1nc2ccccc2nc1S Amb4138352 [0,1,0,1,0,0|2,0,0]=4 8109 B13R2.369 Oc1nc2ncccc2cc1Br Amb13881381 [0,1,0,1,0,0|2,0,0]=4 8110 B13R2.369 S=C1Nc2ccccc2C=C1Br Amb27631744 [0,1,0,1,0,0|1,1,0]=4 8111 B13R2.369 Sc1cc2ccccc2nc1Cl Amb26056479 [0,1,0,1,0,0|2,0,0]=4 8112 B13R2.435 C=C(C)c1cc2ccccc2s1 Amb27218285 [0,1,0,1,0,0|2,0,0]=4 8113 B13R2.435 CC(=O)C1=Cc2ccccc2C1 Amb17777848 [0,1,0,1,0,0|1,0,0]=3 8114 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,1,0,1,0,0|1,0,0]=3 8115 B13R2.435 CC(=O)c1cc2ccccc2s1 Amb5719845 [0,1,0,1,0,0|1,0,0]=3 8116 B13R2.435 CC(=O)c1cc2ccccn2c1 Amb10607345 [0,1,0,1,0,0|2,0,0]=4 8117 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,1,0,1,0,0|2,0,0]=4 8118 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,1,0,1,0,0|2,0,0]=4 8119 B13R2.435 CC(=O)c1cc2ccncc2s1 Amb18825003 [0,1,0,1,0,0|2,0,0]=4 8120 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,1,0,1,0,0|2,0,0]=4 8121 B13R2.435 CC(=O)c1cc2cnccc2s1 Amb18195960 [0,1,0,1,0,0|2,0,0]=4 8122 B13R2.435 CC(=O)c1cn2ccccc2n1 Amb21963117 [0,1,0,1,0,0|2,0,0]=4 8123 B13R2.435 CC(=O)c1nc2ccccc2o1 Amb19957805 [0,1,0,1,0,0|2,0,0]=4 8124 B13R2.435 CC(=O)c1nc2ccccc2s1 Amb1655468 [0,1,0,1,0,0|2,0,0]=4 8125 B13R2.435 CC(=O)n1cc2ccccc2c1 Amb25831153 [0,1,0,1,0,0|2,0,0]=4 8126 B13R2.435 CC(=O)n1cc2ccccc2n1 Amb25876913 [0,1,0,1,0,0|2,0,0]=4 8127 B13R2.435 CC(O)c1cc2ccccc2o1 Amb433076 [0,1,0,1,0,0|1,0,1]=4 8128 B13R2.435 CC(O)c1cc2ccccc2s1 Amb8395817 [0,1,0,1,0,0|1,0,1]=4 8129 B13R2.435 C[C@@H](O)c1cc2ccccc2o1 Amb13952988 [0,1,0,1,0,0|1,0,1]=4 8130 B13R2.435 C[C@@H](O)c1cc2ccccc2s1 Amb27264851 [0,1,0,1,0,0|1,0,1]=4 8131 B13R2.435 C[C@H](O)c1cc2ccccc2o1 Amb13952987 [0,1,0,1,0,0|1,0,1]=4 8132 B13R2.435 C[C@H](O)c1cc2ccccc2s1 Amb25786143 [0,1,0,1,0,0|1,0,1]=4 8133 B13R2.435 N=C(N)c1cc2ccccc2o1 Amb19374967 [0,1,0,1,0,0|2,0,0]=4 8134 B13R2.435 N=C(N)c1cc2ccccc2s1 Amb23116599 [0,1,0,1,0,0|2,0,0]=4 8135 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,1,0,1,0,0|1,0,0]=3 8136 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,1,0,1,0,0|1,0,0]=3 8137 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,1,0,1,0,0|1,0,0]=3 8138 B13R2.435 NC(=O)c1cc2ccccn2c1 Amb26349575 [0,1,0,1,0,0|2,0,0]=4 8139 B13R2.435 NC(=O)c1cc2ccccn2n1 Amb22002382 [0,1,0,1,0,0|2,0,0]=4 8140 B13R2.435 NC(=O)c1cn2ccccc2n1 Amb33551894 [0,1,0,1,0,0|2,0,0]=4 8141 B13R2.435 NC(=O)c1nc2ccccc2o1 Amb22500295 [0,1,0,1,0,0|2,0,0]=4 8142 B13R2.435 NC(=O)c1nc2ccccc2s1 Amb2565672 [0,1,0,1,0,0|2,0,0]=4 8143 B13R2.435 NC(=O)n1cc2ccccc2n1 Amb27983685 [0,1,0,1,0,0|2,0,0]=4 8144 B13R2.435 NC(=S)c1cc2ccccc2o1 Amb8834038 [0,1,0,1,0,0|1,1,0]=4 8145 B13R2.435 NC(=S)c1cc2ccccc2s1 Amb28043019 [0,1,0,1,0,0|1,1,0]=4 8146 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,1,0,1,0,0|1,0,0]=3 8147 B13R2.435 O=C(Cl)c1cc2ccccc2s1 Amb2723175 [0,1,0,1,0,0|1,0,0]=3 8148 B13R2.435 O=C(Cl)c1cc2ccccn2c1 Amb27259695 [0,1,0,1,0,0|2,0,0]=4 8149 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,1,0,1,0,0|2,0,0]=4 8150 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,1,0,1,0,0|2,0,0]=4 8151 B13R2.435 O=C(Cl)c1nc2ccccc2s1 Amb2723093 [0,1,0,1,0,0|2,0,0]=4 8152 B13R2.435 O=C(O)C1=CN2=CC=CN=C2N1 Amb31128517 [0,1,0,1,0,0|2,0,0]=4 8153 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,1,0,1,0,0|0,0,0]=2 8154 B13R2.435 O=C(O)C1=Nc2ccccc2C1 Amb24078944 [0,1,0,1,0,0|0,0,1]=3 8155 B13R2.435 O=C(O)C1Cc2ccccc2C1 Amb33537232 [0,1,0,1,0,0|0,0,2]=4 8156 B13R2.435 O=C(O)C1Cc2ccccc2N1 Amb1914079 [0,1,0,1,0,0|0,0,2]=4 8157 B13R2.435 O=C(O)C1Cc2ccccc2O1 Amb1154832 [0,1,0,1,0,0|0,0,2]=4 8158 B13R2.435 O=C(O)C1Cc2ccccc2S1 Amb9702994 [0,1,0,1,0,0|0,0,2]=4 8159 B13R2.435 O=C(O)C1Oc2ccccc2O1 Amb535196 [0,1,0,1,0,0|1,0,1]=4 8160 B13R2.435 O=C(O)C1Oc2ccccc2S1 Amb27477990 [0,1,0,1,0,0|1,0,1]=4 8161 B13R2.435 O=C(O)C1Sc2ccccc2S1 Amb2795796 [0,1,0,1,0,0|1,0,1]=4 8162 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2N1 Amb2698470 [0,1,0,1,0,0|0,0,2]=4 8163 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2O1 Amb28396501 [0,1,0,1,0,0|0,0,2]=4 8164 B13R2.435 O=C(O)[C@H]1Cc2ccccc2N1 Amb2699613 [0,1,0,1,0,0|0,0,2]=4 8165 B13R2.435 O=C(O)c1cc2c(s1)C=CCO2 Amb6718271 [0,1,0,1,0,0|1,0,1]=4 8166 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,1,0,1,0,0|0,0,0]=2 8167 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,1,0,1,0,0|0,0,0]=2 8168 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,1,0,1,0,0|0,0,0]=2 8169 B13R2.435 O=C(O)c1cc2ccccn2c1 Amb2610302 [0,1,0,1,0,0|1,0,0]=3 8170 B13R2.435 O=C(O)c1cc2ccccn2n1 Amb2235996 [0,1,0,1,0,0|1,0,0]=3 8171 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,1,0,1,0,0|1,0,0]=3 8172 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,1,0,1,0,0|1,0,0]=3 8173 B13R2.435 O=C(O)c1cc2cccnn2n1 Amb24330534 [0,1,0,1,0,0|2,0,0]=4 8174 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,1,0,1,0,0|1,0,0]=3 8175 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,1,0,1,0,0|1,0,0]=3 8176 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,1,0,1,0,0|1,0,0]=3 8177 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,1,0,1,0,0|1,0,0]=3 8178 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,1,0,1,0,0|2,0,0]=4 8179 B13R2.435 O=C(O)c1cc2cncnc2s1 Amb18145660 [0,1,0,1,0,0|2,0,0]=4 8180 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,1,0,1,0,0|2,0,0]=4 8181 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,1,0,1,0,0|1,0,0]=3 8182 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,1,0,1,0,0|1,0,0]=3 8183 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,1,0,1,0,0|1,0,0]=3 8184 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb1058799 [0,1,0,1,0,0|2,0,0]=4 8185 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb22492395 [0,1,0,1,0,0|2,0,0]=4 8186 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,1,0,1,0,0|2,0,0]=4 8187 B13R2.435 O=C(O)c1cc2nccnc2s1 Amb2723505 [0,1,0,1,0,0|2,0,0]=4 8188 B13R2.435 O=C(O)c1cc2ncncc2s1 Amb18824542 [0,1,0,1,0,0|2,0,0]=4 8189 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb1106602 [0,1,0,1,0,0|1,0,0]=3 8190 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb19514889 [0,1,0,1,0,0|1,0,0]=3 8191 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb2688822 [0,1,0,1,0,0|1,0,0]=3 8192 B13R2.435 O=C(O)c1cn2cccnc2n1 Amb33532058 [0,1,0,1,0,0|2,0,0]=4 8193 B13R2.435 O=C(O)c1cn2ccncc2n1 Amb6359289 [0,1,0,1,0,0|2,0,0]=4 8194 B13R2.435 O=C(O)c1cn2cnccc2n1 Amb10071587 [0,1,0,1,0,0|2,0,0]=4 8195 B13R2.435 O=C(O)c1cn2ncccc2n1 Amb10071426 [0,1,0,1,0,0|2,0,0]=4 8196 B13R2.435 O=C(O)c1nc2ccccc2o1 Amb10066905 [0,1,0,1,0,0|1,0,0]=3 8197 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb17622301 [0,1,0,1,0,0|1,0,0]=3 8198 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb3428729 [0,1,0,1,0,0|1,0,0]=3 8199 B13R2.435 O=C(O)c1nc2ccccn2n1 Amb21962231 [0,1,0,1,0,0|2,0,0]=4 8200 B13R2.435 O=C(O)c1nc2cccnc2s1 Amb22499596 [0,1,0,1,0,0|2,0,0]=4 8201 B13R2.435 O=C(O)c1nc2ccncc2s1 Amb22728609 [0,1,0,1,0,0|2,0,0]=4 8202 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,1,0,1,0,0|2,0,0]=4 8203 B13R2.435 O=C(O)c1nc2cnccc2s1 Amb24100066 [0,1,0,1,0,0|2,0,0]=4 8204 B13R2.435 O=C(O)c1nc2ncccc2o1 Amb18829106 [0,1,0,1,0,0|2,0,0]=4 8205 B13R2.435 O=C(O)c1nc2ncccc2s1 Amb22490341 [0,1,0,1,0,0|2,0,0]=4 8206 B13R2.435 O=C([O-])c1cn2ccccc2n1 Amb19665498 [0,1,0,1,0,0|1,0,1]=4 8207 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19651173 [0,1,0,1,0,0|1,0,1]=4 8208 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19944614 [0,1,0,1,0,0|1,0,1]=4 8209 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb21961465 [0,1,0,1,0,0|1,0,1]=4 8210 B13R2.435 O=C([O-])c1nc2ccccc2s1 Amb1103264 [0,1,0,1,0,0|1,0,1]=4 8211 B13R2.435 O=C([O-])c1nc2ccccc2s1 Amb2354722 [0,1,0,1,0,0|1,0,1]=4 8212 B13R2.435 O=S(O)c1nc2ccccc2s1 Amb24061131 [0,1,0,1,0,0|2,0,0]=4 8213 B13R2.435 O=S([O-])c1cc2ccccc2o1 Amb32754314 [0,1,0,1,0,0|1,0,1]=4 8214 B13R2.435 O=[N+]([O-])c1cc2ccccc2o1 Amb19958202 [0,1,0,1,0,0|1,0,1]=4 8215 B13R2.435 OB(O)C1=Cc2ccccc2C1 Amb22753921 [0,1,0,1,0,0|1,0,1]=4 8216 B13R2.435 OB(O)c1cc2ccccc2o1 Amb2447248 [0,1,0,1,0,0|1,0,1]=4 8217 B13R2.435 OB(O)c1cc2ccccc2s1 Amb2234929 [0,1,0,1,0,0|1,0,1]=4 8218 B13R2.444 C\C(=C/c1ccccc1)C2CO2 Amb32953224 [0,1,0,1,0,0|1,0,1]=4 8219 B13R2.444 C\C(=C/c1ccccc1)[C@@H]2CO2 Amb33381484 [0,1,0,1,0,0|1,0,1]=4 8220 B13R2.444 C\C(=C/c1ccccc1)[C@H]2CO2 Amb33381508 [0,1,0,1,0,0|1,0,1]=4 8221 B13R2.5517 CC1(C(=O)O)Cc2ccccc21 Amb17778872 [0,1,0,1,0,0|0,0,2]=4 8222 B13R2.5517 NC1(C(=O)O)Cc2ccccc21 Amb28120231 [0,1,0,1,0,0|0,0,2]=4 8223 B13R2.173 O=S1(=O)C=C(c2ccccc2)C1 Amb22386892 [0,1,0,1,0,0|1,0,1]=4 8224 B13R2.244 C[C@@H]1c2ccccc2[C@@H]1C(=O)O Amb28132389 [0,1,0,1,0,0|0,0,2]=4 8225 B13R2.328 Brc1cc(Br)c2ccccc2n1 Amb2610048 [0,1,0,1,0,0|2,0,0]=4 8226 B13R2.328 Brc1cc(I)c2ccccc2c1 Amb26331453 [0,1,0,1,0,0|2,0,0]=4 8227 B13R2.328 Brc1cc(I)c2ccccc2n1 Amb27642315 [0,1,0,1,0,0|2,0,0]=4 8228 B13R2.328 Brc1cc(I)cc2ccccc12 Amb27804458 [0,1,0,1,0,0|2,0,0]=4 8229 B13R2.328 C=C1NC(=O)Nc2ccccc21 Amb25150937 [0,1,0,1,0,0|2,0,0]=4 8230 B13R2.328 C=C1OC(=O)Nc2ccccc21 Amb24497158 [0,1,0,1,0,0|2,0,0]=4 8231 B13R2.328 CC1=C2C=CC=CC2=CC(=O)N1 Amb22371049 [0,1,0,1,0,0|2,0,0]=4 8232 B13R2.328 CC1=C2C=CC=CC2=NC(=O)N1 Amb22493795 [0,1,0,1,0,0|2,0,0]=4 8233 B13R2.328 CC1=CC(=O)Cc2ccccc21 Amb28287006 [0,1,0,1,0,0|1,0,0]=3 8234 B13R2.328 CC1=CC(=O)N=C2C=CC=CN12 Amb20655584 [0,1,0,1,0,0|2,0,0]=4 8235 B13R2.328 CC1=CC(=O)Nc2ccccc21 Amb19654011 [0,1,0,1,0,0|1,0,0]=3 8236 B13R2.328 CC1=CC(=O)Nc2ccncc21 Amb18015580 [0,1,0,1,0,0|2,0,0]=4 8237 B13R2.328 CC1=CC(=O)Oc2ccccc21 Amb20001467 [0,1,0,1,0,0|0,0,0]=2 8238 B13R2.328 CC1=CC(=O)c2ccccc2N1 Amb18368798 [0,1,0,1,0,0|2,0,0]=4 8239 B13R2.328 CC1=CC(=O)c2ccccc2O1 Amb19666848 [0,1,0,1,0,0|1,0,0]=3 8240 B13R2.328 CC1=CC(=O)c2ccccc2S1 Amb20414518 [0,1,0,1,0,0|1,1,0]=4 8241 B13R2.328 CC1=CC(=O)c2cnccc2O1 Amb28202041 [0,1,0,1,0,0|2,0,0]=4 8242 B13R2.328 CC1=CC(=S)Nc2ccccc21 Amb18010309 [0,1,0,1,0,0|1,1,0]=4 8243 B13R2.328 Cc1cc(Br)c2ccccc2c1 Amb20669369 [0,1,0,1,0,0|2,0,0]=4 8244 B13R2.328 Cc1cc(Br)c2ccccc2n1 Amb9386790 [0,1,0,1,0,0|2,0,0]=4 8245 B13R2.328 Cc1cc(Br)cc2ccccc12 Amb27603982 [0,1,0,1,0,0|2,0,0]=4 8246 B13R2.328 Cc1cc(Br)nc2ccccc12 Amb18355120 [0,1,0,1,0,0|2,0,0]=4 8247 B13R2.328 Cc1cc(C)c2ccccc2c1 Amb6296604 [0,1,0,1,0,0|2,0,0]=4 8248 B13R2.328 Cc1cc(C)c2ccccc2n1 Amb4037272 [0,1,0,1,0,0|2,0,0]=4 8249 B13R2.328 Cc1cc(Cl)c2ccccc2n1 Amb22496125 [0,1,0,1,0,0|2,0,0]=4 8250 B13R2.328 Cc1cc(Cl)c2ccccc2n1 Amb6335281 [0,1,0,1,0,0|2,0,0]=4 8251 B13R2.328 Cc1cc(Cl)cc2ccccc12 Amb27231656 [0,1,0,1,0,0|2,0,0]=4 8252 B13R2.328 Cc1cc(Cl)nc2ccccc12 Amb1351694 [0,1,0,1,0,0|2,0,0]=4 8253 B13R2.328 Cc1cc(F)cc2ccccc12 Amb26895615 [0,1,0,1,0,0|2,0,0]=4 8254 B13R2.328 Cc1cc(I)c2ccccc2c1 Amb26442248 [0,1,0,1,0,0|2,0,0]=4 8255 B13R2.328 Cc1cc(I)c2ccccc2n1 Amb22756186 [0,1,0,1,0,0|2,0,0]=4 8256 B13R2.328 Cc1cc(I)cc2ccccc12 Amb24427637 [0,1,0,1,0,0|2,0,0]=4 8257 B13R2.328 Cc1cc(I)nc2ccccc12 Amb27439605 [0,1,0,1,0,0|2,0,0]=4 8258 B13R2.328 Cc1cc(N)c2ccccc2c1 Amb18644932 [0,1,0,1,0,0|2,0,0]=4 8259 B13R2.328 Cc1cc(N)c2ccccc2n1 Amb1204080 [0,1,0,1,0,0|2,0,0]=4 8260 B13R2.328 Cc1cc(N)cc2ccccc12 Amb18126074 [0,1,0,1,0,0|2,0,0]=4 8261 B13R2.328 Cc1cc(N)nc2ccccc12 Amb1994857 [0,1,0,1,0,0|2,0,0]=4 8262 B13R2.328 Cc1cc(N)nc2ccccc12 Amb1994874 [0,1,0,1,0,0|2,0,0]=4 8263 B13R2.328 Cc1cc(O)c2ccccc2n1 Amb1796824 [0,1,0,1,0,0|2,0,0]=4 8264 B13R2.328 Cc1cc(O)cc2ccccc12 Amb18645052 [0,1,0,1,0,0|1,0,0]=3 8265 B13R2.328 Cc1cc(O)cc2ccncc12 Amb27862395 [0,1,0,1,0,0|2,0,0]=4 8266 B13R2.328 Cc1cc(O)cc2ncccc12 Amb26845006 [0,1,0,1,0,0|2,0,0]=4 8267 B13R2.328 Cc1cc(O)nc2ccccc12 Amb6335240 [0,1,0,1,0,0|1,0,0]=3 8268 B13R2.328 Cc1cc(O)nc2ncccc12 Amb3632332 [0,1,0,1,0,0|2,0,0]=4 8269 B13R2.328 Cc1cc(S)c2ccccc2n1 Amb534230 [0,1,0,1,0,0|2,0,0]=4 8270 B13R2.328 Cc1cc(S)nc2ccccc12 Amb1104121 [0,1,0,1,0,0|1,1,0]=4 8271 B13R2.328 Cc1nc(=O)c2ccccc2o1 Amb344572 [0,1,0,1,0,0|2,0,0]=4 8272 B13R2.328 Cc1nc(O)nc2ccccc12 Amb20618709 [0,1,0,1,0,0|2,0,0]=4 8273 B13R2.328 Clc1cc(Br)c2ccccc2c1 Amb28411408 [0,1,0,1,0,0|2,0,0]=4 8274 B13R2.328 Clc1cc(Br)nc2ccccc12 Amb22263015 [0,1,0,1,0,0|2,0,0]=4 8275 B13R2.328 Clc1cc(Cl)c2ccccc2c1 Amb27233231 [0,1,0,1,0,0|2,0,0]=4 8276 B13R2.328 Clc1cc(Cl)c2ccccc2n1 Amb2610837 [0,1,0,1,0,0|2,0,0]=4 8277 B13R2.328 Clc1cc(I)c2ccccc2n1 Amb27445733 [0,1,0,1,0,0|2,0,0]=4 8278 B13R2.328 Clc1cc(I)cc2ccccc12 Amb25217612 [0,1,0,1,0,0|2,0,0]=4 8279 B13R2.328 Fc1cc(Br)c2ccccc2c1 Amb26969445 [0,1,0,1,0,0|2,0,0]=4 8280 B13R2.328 Fc1cc(Br)cc2ccccc12 Amb8629527 [0,1,0,1,0,0|2,0,0]=4 8281 B13R2.328 Fc1cc(Cl)c2ccccc2c1 Amb25121500 [0,1,0,1,0,0|2,0,0]=4 8282 B13R2.328 Fc1cc(Cl)c2ccccc2n1 Amb27488292 [0,1,0,1,0,0|2,0,0]=4 8283 B13R2.328 Fc1cc(Cl)cc2ccccc12 Amb26511445 [0,1,0,1,0,0|2,0,0]=4 8284 B13R2.328 Fc1cc(F)c2ccccc2c1 Amb26319288 [0,1,0,1,0,0|2,0,0]=4 8285 B13R2.328 Fc1cc(I)c2ccccc2c1 Amb26024837 [0,1,0,1,0,0|2,0,0]=4 8286 B13R2.328 Fc1cc(I)cc2ccccc12 Amb22547559 [0,1,0,1,0,0|2,0,0]=4 8287 B13R2.328 Ic1cc(I)c2ccccc2c1 Amb25848812 [0,1,0,1,0,0|2,0,0]=4 8288 B13R2.328 NC1=C2C=CC=CC2=CC(=O)N1 Amb24511574 [0,1,0,1,0,0|2,0,0]=4 8289 B13R2.328 NC1=C2C=CC=CC2=NC(=O)N1 Amb22015224 [0,1,0,1,0,0|2,0,0]=4 8290 B13R2.328 NC1=CC(=O)Nc2ccccc21 Amb18645325 [0,1,0,1,0,0|1,0,0]=3 8291 B13R2.328 NC1=CC(=O)Oc2ccccc21 Amb18645456 [0,1,0,1,0,0|0,0,0]=2 8292 B13R2.328 NC1=CC(=O)c2ccccc2N1 Amb21856421 [0,1,0,1,0,0|2,0,0]=4 8293 B13R2.328 NC1=CC(=O)c2ccccc2O1 Amb19870090 [0,1,0,1,0,0|1,0,0]=3 8294 B13R2.328 NC1=CC(=O)c2ccccc2S1 Amb25097114 [0,1,0,1,0,0|1,1,0]=4 8295 B13R2.328 NC1=CC(=O)c2cccnc2O1 Amb18048480 [0,1,0,1,0,0|2,0,0]=4 8296 B13R2.328 Nc1cc(Br)c2ccccc2c1 Amb17596046 [0,1,0,1,0,0|2,0,0]=4 8297 B13R2.328 Nc1cc(Br)c2ccccc2c1 Amb32675699 [0,1,0,1,0,0|2,0,0]=4 8298 B13R2.328 Nc1cc(Br)c2ccccc2n1 Amb10070902 [0,1,0,1,0,0|2,0,0]=4 8299 B13R2.328 Nc1cc(Br)cc2ccccc12 Amb17596048 [0,1,0,1,0,0|2,0,0]=4 8300 B13R2.328 Nc1cc(Br)cc2ccccc12 Amb32992791 [0,1,0,1,0,0|2,0,0]=4 8301 B13R2.328 Nc1cc(Br)nc2ccccc12 Amb20248088 [0,1,0,1,0,0|2,0,0]=4 8302 B13R2.328 Nc1cc(Cl)c2ccccc2c1 Amb17594518 [0,1,0,1,0,0|2,0,0]=4 8303 B13R2.328 Nc1cc(Cl)c2ccccc2n1 Amb18648192 [0,1,0,1,0,0|2,0,0]=4 8304 B13R2.328 Nc1cc(Cl)cc2ccccc12 Amb17594522 [0,1,0,1,0,0|2,0,0]=4 8305 B13R2.328 Nc1cc(Cl)nc2ccccc12 Amb18648199 [0,1,0,1,0,0|2,0,0]=4 8306 B13R2.328 Nc1cc(Cl)nc2ccccc12 Amb22275993 [0,1,0,1,0,0|2,0,0]=4 8307 B13R2.328 Nc1cc(F)c2ccccc2n1 Amb25760167 [0,1,0,1,0,0|2,0,0]=4 8308 B13R2.328 Nc1cc(F)cc2ccccc12 Amb26464234 [0,1,0,1,0,0|2,0,0]=4 8309 B13R2.328 Nc1cc(I)c2ccccc2n1 Amb26370708 [0,1,0,1,0,0|2,0,0]=4 8310 B13R2.328 Nc1cc(I)cc2ccccc12 Amb26016187 [0,1,0,1,0,0|2,0,0]=4 8311 B13R2.328 Nc1cc(I)nc2ccccc12 Amb27197064 [0,1,0,1,0,0|2,0,0]=4 8312 B13R2.328 Nc1cc(N)c2ccccc2c1 Amb17593963 [0,1,0,1,0,0|2,0,0]=4 8313 B13R2.328 Nc1cc(N)c2ccccc2n1 Amb26484632 [0,1,0,1,0,0|2,0,0]=4 8314 B13R2.328 Nc1cc(O)c2ccccc2c1 Amb17593981 [0,1,0,1,0,0|2,0,0]=4 8315 B13R2.328 Nc1cc(O)c2ccccc2c1 Amb28555827 [0,1,0,1,0,0|2,0,0]=4 8316 B13R2.328 Nc1cc(O)c2ccccc2n1 Amb2610300 [0,1,0,1,0,0|2,0,0]=4 8317 B13R2.328 Nc1cc(O)cc2ccccc12 Amb18048469 [0,1,0,1,0,0|1,0,0]=3 8318 B13R2.328 Nc1cc(O)cc2ncccc12 Amb25709274 [0,1,0,1,0,0|2,0,0]=4 8319 B13R2.328 Nc1cc(O)nc2cccnc12 Amb26931451 [0,1,0,1,0,0|2,0,0]=4 8320 B13R2.328 O=C1C=C(Br)c2ccccc2N1 Amb21520307 [0,1,0,1,0,0|1,0,0]=3 8321 B13R2.328 O=C1C=C(Br)c2ccccc2O1 Amb20248285 [0,1,0,1,0,0|0,0,0]=2 8322 B13R2.328 O=C1C=C(Br)c2ccncc2N1 Amb25864668 [0,1,0,1,0,0|2,0,0]=4 8323 B13R2.328 O=C1C=C(Cl)Nc2ccccc21 Amb22500808 [0,1,0,1,0,0|2,0,0]=4 8324 B13R2.328 O=C1C=C(Cl)Oc2ccccc21 Amb28140666 [0,1,0,1,0,0|1,0,0]=3 8325 B13R2.328 O=C1C=C(Cl)c2ccccc2N1 Amb19516664 [0,1,0,1,0,0|1,0,0]=3 8326 B13R2.328 O=C1C=C(Cl)c2ccccc2O1 Amb20414537 [0,1,0,1,0,0|0,0,0]=2 8327 B13R2.328 O=C1C=C(Cl)c2cccnc2N1 Amb22753696 [0,1,0,1,0,0|2,0,0]=4 8328 B13R2.328 O=C1C=C(Cl)c2ccncc2N1 Amb33456380 [0,1,0,1,0,0|2,0,0]=4 8329 B13R2.328 O=C1C=C(F)c2ccccc2N1 Amb26375660 [0,1,0,1,0,0|1,0,0]=3 8330 B13R2.328 O=C1C=C(I)c2ccccc2O1 Amb27442019 [0,1,0,1,0,0|0,0,0]=2 8331 B13R2.328 O=C1C=C(O)N=C2C=CC=CN12 Amb18800604 [0,1,0,1,0,0|2,0,0]=4 8332 B13R2.328 O=C1C=C(O)Sc2ccccc21 Amb26517364 [0,1,0,1,0,0|0,1,0]=3 8333 B13R2.328 O=C1C=C(O)c2ccccc2N1 Amb18002636 [0,1,0,1,0,0|1,0,0]=3 8334 B13R2.328 O=C1C=C(O)c2ccccc2O1 Amb18372000 [0,1,0,1,0,0|0,0,0]=2 8335 B13R2.328 O=C1C=C(O)c2ccccc2S1 Amb19517275 [0,1,0,1,0,0|0,1,0]=3 8336 B13R2.328 O=C1C=C(O)c2cccnc2N1 Amb20662029 [0,1,0,1,0,0|2,0,0]=4 8337 B13R2.328 O=C1C=C(O)c2ccncc2N1 Amb22494124 [0,1,0,1,0,0|2,0,0]=4 8338 B13R2.328 O=C1C=C(O)c2ncccc2N1 Amb22372203 [0,1,0,1,0,0|2,0,0]=4 8339 B13R2.328 O=C1C=C(S)Oc2ccccc21 Amb27407667 [0,1,0,1,0,0|0,1,0]=3 8340 B13R2.328 O=C1C=C(S)c2ccccc2O1 Amb24446596 [0,1,0,1,0,0|0,0,0]=2 8341 B13R2.328 O=C1C=C([O-])[n+]2ccccc2N1 Amb20415253 [0,1,0,1,0,0|2,0,0]=4 8342 B13R2.328 O=C1C=C([O-])c2ccccc2N1 Amb22731733 [0,1,0,1,0,0|1,0,0]=3 8343 B13R2.328 O=C1C=C2C=CC=CC2=C(Br)N1 Amb26067798 [0,1,0,1,0,0|2,0,0]=4 8344 B13R2.328 O=C1C=C2C=CC=CC2=C(I)N1 Amb27624963 [0,1,0,1,0,0|2,0,0]=4 8345 B13R2.328 O=C1CC(=O)c2ccccc2N1 Amb22263121 [0,1,0,1,0,0|1,0,1]=4 8346 B13R2.328 O=C1CC(=O)c2ccccc2O1 Amb19748567 [0,1,0,1,0,0|0,0,1]=3 8347 B13R2.328 O=C1CC(=S)Oc2ccccc21 Amb27193516 [0,1,0,1,0,0|0,1,1]=4 8348 B13R2.328 O=C1CC(O)c2ccccc2O1 Amb8385084 [0,1,0,1,0,0|0,0,2]=4 8349 B13R2.328 O=C1Cc2ccccc2C(=O)N1 Amb1221580 [0,1,0,1,0,0|2,0,0]=4 8350 B13R2.328 O=C1Cc2ccccc2C(=O)O1 Amb1157145 [0,1,0,1,0,0|2,0,0]=4 8351 B13R2.328 O=C1Cc2ccccc2C(=S)N1 Amb17843901 [0,1,0,1,0,0|2,0,0]=4 8352 B13R2.328 O=C1N=C(Cl)c2ccccc2N1 Amb22371858 [0,1,0,1,0,0|2,0,0]=4 8353 B13R2.328 O=C1NC(=O)c2ccccc2N1 Amb18005794 [0,1,0,1,0,0|2,0,0]=4 8354 B13R2.328 O=C1NC(=O)c2ccccc2O1 Amb20243206 [0,1,0,1,0,0|1,0,0]=3 8355 B13R2.328 O=C1NC(=O)c2ccccc2S1 Amb22036855 [0,1,0,1,0,0|1,1,0]=4 8356 B13R2.328 O=C1NC(=S)Oc2ccccc21 Amb27170743 [0,1,0,1,0,0|1,1,0]=4 8357 B13R2.328 O=C1NC(=S)c2ccccc2O1 Amb27870853 [0,1,0,1,0,0|1,0,0]=3 8358 B13R2.328 O=C1Nc2ccccc2C(=O)O1 Amb18183505 [0,1,0,1,0,0|2,0,0]=4 8359 B13R2.328 O=C1OC(O)=Nc2ccccc21 Amb22569820 [0,1,0,1,0,0|2,0,0]=4 8360 B13R2.328 OC1C=C(Cl)c2ccccc2C1 Amb27653045 [0,1,0,1,0,0|1,0,1]=4 8361 B13R2.328 OC1C=C(Cl)c2ccccc2O1 Amb28245146 [0,1,0,1,0,0|0,0,2]=4 8362 B13R2.328 Oc1cc(Br)c2ccccc2c1 Amb17596081 [0,1,0,1,0,0|1,0,0]=3 8363 B13R2.328 Oc1cc(Br)c2cccnc2c1 Amb26905219 [0,1,0,1,0,0|2,0,0]=4 8364 B13R2.328 Oc1cc(Br)c2cccnc2n1 Amb24535969 [0,1,0,1,0,0|2,0,0]=4 8365 B13R2.328 Oc1cc(Br)c2cnccc2c1 Amb26050067 [0,1,0,1,0,0|2,0,0]=4 8366 B13R2.328 Oc1cc(Br)c2cnccc2c1 Amb33483684 [0,1,0,1,0,0|2,0,0]=4 8367 B13R2.328 Oc1cc(Br)c2ncccc2c1 Amb22752323 [0,1,0,1,0,0|2,0,0]=4 8368 B13R2.328 Oc1cc(Br)cc2ccccc12 Amb17596075 [0,1,0,1,0,0|2,0,0]=4 8369 B13R2.328 Oc1cc(Br)nc2ccccc12 Amb22500448 [0,1,0,1,0,0|2,0,0]=4 8370 B13R2.328 Oc1cc(Cl)c2ncccc2c1 Amb27217259 [0,1,0,1,0,0|2,0,0]=4 8371 B13R2.328 Oc1cc(Cl)c2ncccc2n1 Amb18648438 [0,1,0,1,0,0|2,0,0]=4 8372 B13R2.328 Oc1cc(Cl)cc2ccccc12 Amb17594569 [0,1,0,1,0,0|2,0,0]=4 8373 B13R2.328 Oc1cc(Cl)nc2ccccc12 Amb19957815 [0,1,0,1,0,0|2,0,0]=4 8374 B13R2.328 Oc1cc(F)c2ccccc2c1 Amb26843113 [0,1,0,1,0,0|1,0,0]=3 8375 B13R2.328 Oc1cc(F)c2cccnc2c1 Amb27616737 [0,1,0,1,0,0|2,0,0]=4 8376 B13R2.328 Oc1cc(F)cc2ccccc12 Amb26966920 [0,1,0,1,0,0|2,0,0]=4 8377 B13R2.328 Oc1cc(F)nc2ccccc12 Amb26944759 [0,1,0,1,0,0|2,0,0]=4 8378 B13R2.328 Oc1cc(I)c2ccccc2c1 Amb26850789 [0,1,0,1,0,0|1,0,0]=3 8379 B13R2.328 Oc1cc(I)c2cccnc2c1 Amb25729835 [0,1,0,1,0,0|2,0,0]=4 8380 B13R2.328 Oc1cc(I)c2ncccc2c1 Amb23437340 [0,1,0,1,0,0|2,0,0]=4 8381 B13R2.328 Oc1cc(I)cc2ccccc12 Amb27260646 [0,1,0,1,0,0|2,0,0]=4 8382 B13R2.328 Oc1cc(O)c2ccccc2c1 Amb6357421 [0,1,0,1,0,0|1,0,0]=3 8383 B13R2.328 Oc1cc(O)c2ccccc2n1 Amb1104174 [0,1,0,1,0,0|1,0,0]=3 8384 B13R2.328 Oc1cc(O)c2cccnc2c1 Amb24484214 [0,1,0,1,0,0|2,0,0]=4 8385 B13R2.328 Oc1cc(O)c2cnccc2n1 Amb18645591 [0,1,0,1,0,0|2,0,0]=4 8386 B13R2.328 Oc1cc(O)c2ncccc2c1 Amb8559059 [0,1,0,1,0,0|2,0,0]=4 8387 B13R2.328 Oc1nc(Br)c2ccccc2n1 Amb20618707 [0,1,0,1,0,0|2,0,0]=4 8388 B13R2.328 Oc1nc(F)c2ccccc2n1 Amb28348658 [0,1,0,1,0,0|2,0,0]=4 8389 B13R2.328 Oc1nc(O)c2ccccc2n1 Amb776682 [0,1,0,1,0,0|2,0,0]=4 8390 B13R2.328 Oc1nc(S)c2ccccc2n1 Amb20246241 [0,1,0,1,0,0|2,0,0]=4 8391 B13R2.328 S=C1C=C(S)Oc2ccccc21 Amb28455804 [0,1,0,1,0,0|0,1,0]=3 8392 B13R2.328 [O-][n+]1cc(O)cc2ccccc21 Amb25873892 [0,1,0,1,0,0|2,0,0]=4 8393 B13R2.328 [O-][n+]1cc(O)nc2ccccc21 Amb17594025 [0,1,0,1,0,0|2,0,0]=4 8394 B13R2.12159 CC1=CC(C)(O)c2ccccc21 Amb17778887 [0,1,0,1,0,0|1,0,1]=4 8395 B13R2.12159 CC1=CS(=O)(=O)c2ccccc21 Amb5720692 [0,1,0,1,0,0|1,0,1]=4 8396 B13R2.12159 NC1=CS(=O)(=O)c2ccccc21 Amb23403653 [0,1,0,1,0,0|1,0,1]=4 8397 B13R2.12159 O=C1OI(=O)(O)c2ccccc21 Amb3358706 [0,1,0,1,0,0|2,0,0]=4 8398 B13R2.12159 O=S1(=O)C=C(Br)c2ccccc21 Amb6453686 [0,1,0,1,0,0|1,0,1]=4 8399 B13R2.12159 O=S1(=O)C=C(Cl)c2ccccc21 Amb6861552 [0,1,0,1,0,0|1,0,1]=4 8400 B13R2.216 Cc1ccccc1C2=CC(=O)C2 Amb28243960 [0,1,0,1,0,0|1,0,0]=3 8401 B13R2.222 CC1(C)C=Cc2ccccc2O1 Amb22324894 [0,1,0,1,0,0|1,0,1]=4 8402 B13R2.222 O=S1(=O)C=Cc2ccccc2N1 Amb27468630 [0,1,0,1,0,0|1,0,1]=4 8403 B13R2.222 O=S1(=O)N=Cc2ccccc2O1 Amb28122731 [0,1,0,1,0,0|2,0,0]=4 8404 B13R2.4848 Nc1cccc2c1C=CS2(=O)=O Amb26841193 [0,1,0,1,0,0|1,0,1]=4 8405 B13R2.4848 O=S1(=O)C=Cc2c(Br)cccc21 Amb28429202 [0,1,0,1,0,0|1,0,1]=4 8406 B13R2.4852 O=C(O)C1Cc2c(Cl)cccc21 Amb26517376 [0,1,0,1,0,0|0,0,2]=4 8407 B13R2.4852 O=C(O)C1Cc2c(O)cccc21 Amb28138012 [0,1,0,1,0,0|0,0,2]=4 8408 B13R2.5179 Brc1ccc2c(Br)cccc2c1 Amb22899601 [0,1,0,1,0,0|2,0,0]=4 8409 B13R2.5179 Brc1ccc2c(Br)cccc2n1 Amb22371944 [0,1,0,1,0,0|2,0,0]=4 8410 B13R2.5179 Brc1cccc2cc(I)ccc12 Amb28072559 [0,1,0,1,0,0|2,0,0]=4 8411 B13R2.5179 CC1=C2C=CC(=O)N=C2C=CN1 Amb27394949 [0,1,0,1,0,0|2,0,0]=4 8412 B13R2.5179 CC1=CC=CC2=CC(=O)NC=C12 Amb22011731 [0,1,0,1,0,0|2,0,0]=4 8413 B13R2.5179 CC1=CC=CC2=NC(=O)C=CN12 Amb22411657 [0,1,0,1,0,0|2,0,0]=4 8414 B13R2.5179 CC1=COc2c(N)cccc2O1 Amb17570074 [0,1,0,1,0,0|2,0,0]=4 8415 B13R2.5179 C[n+]1cccc2cc(O)ccc21 Amb27261951 [0,1,0,1,0,0|2,0,0]=4 8416 B13R2.5179 Cc1ccc2c(Br)cccc2c1 Amb26921428 [0,1,0,1,0,0|2,0,0]=4 8417 B13R2.5179 Cc1ccc2c(Br)cccc2n1 Amb21857879 [0,1,0,1,0,0|2,0,0]=4 8418 B13R2.5179 Cc1ccc2c(C)cccc2c1 Amb6296605 [0,1,0,1,0,0|2,0,0]=4 8419 B13R2.5179 Cc1ccc2c(C)cccc2n1 Amb21858709 [0,1,0,1,0,0|2,0,0]=4 8420 B13R2.5179 Cc1ccc2c(Cl)cccc2c1 Amb27632327 [0,1,0,1,0,0|2,0,0]=4 8421 B13R2.5179 Cc1ccc2c(Cl)cccc2n1 Amb8390716 [0,1,0,1,0,0|2,0,0]=4 8422 B13R2.5179 Cc1ccc2c(F)cccc2c1 Amb25760151 [0,1,0,1,0,0|2,0,0]=4 8423 B13R2.5179 Cc1ccc2c(I)cccc2c1 Amb26849069 [0,1,0,1,0,0|2,0,0]=4 8424 B13R2.5179 Cc1ccc2c(N)cccc2c1 Amb17593939 [0,1,0,1,0,0|2,0,0]=4 8425 B13R2.5179 Cc1ccc2c(N)cccc2n1 Amb6355822 [0,1,0,1,0,0|2,0,0]=4 8426 B13R2.5179 Cc1ccc2c(O)cccc2c1 Amb18559380 [0,1,0,1,0,0|2,0,0]=4 8427 B13R2.5179 Cc1ccc2c(O)cccc2n1 Amb18353422 [0,1,0,1,0,0|2,0,0]=4 8428 B13R2.5179 Cc1cccc2c1C=CC(=O)O2 Amb27449737 [0,1,0,1,0,0|0,0,0]=2 8429 B13R2.5179 Cc1cccc2cc(Br)ccc12 Amb26057223 [0,1,0,1,0,0|2,0,0]=4 8430 B13R2.5179 Cc1cccc2cc(F)ccc12 Amb26879845 [0,1,0,1,0,0|2,0,0]=4 8431 B13R2.5179 Cc1cccc2cc(I)ccc12 Amb27623183 [0,1,0,1,0,0|2,0,0]=4 8432 B13R2.5179 Cc1cccc2cc(N)ccc12 Amb22751120 [0,1,0,1,0,0|2,0,0]=4 8433 B13R2.5179 Cc1cccc2cc(O)cnc12 Amb27878570 [0,1,0,1,0,0|2,0,0]=4 8434 B13R2.5179 Cc1cccc2nc(Br)ccc12 Amb23448578 [0,1,0,1,0,0|2,0,0]=4 8435 B13R2.5179 Cc1cccc2nc(N)ccc12 Amb32669209 [0,1,0,1,0,0|2,0,0]=4 8436 B13R2.5179 Cc1ccnc2c1C=CC(=O)N2 Amb27243880 [0,1,0,1,0,0|2,0,0]=4 8437 B13R2.5179 Cc1ccnc2cc(O)ccc12 Amb18645155 [0,1,0,1,0,0|2,0,0]=4 8438 B13R2.5179 Cc1nccc2c1C=CC(=O)N2 Amb21927041 [0,1,0,1,0,0|2,0,0]=4 8439 B13R2.5179 Cc1nccc2cc(O)ccc12 Amb26842551 [0,1,0,1,0,0|2,0,0]=4 8440 B13R2.5179 Clc1ccc2c(Br)cccc2c1 Amb25865332 [0,1,0,1,0,0|2,0,0]=4 8441 B13R2.5179 Clc1ccc2c(Br)cccc2n1 Amb1994308 [0,1,0,1,0,0|2,0,0]=4 8442 B13R2.5179 Clc1ccc2c(Cl)cccc2c1 Amb26360398 [0,1,0,1,0,0|2,0,0]=4 8443 B13R2.5179 Clc1ccc2c(Cl)cccc2n1 Amb33542871 [0,1,0,1,0,0|2,0,0]=4 8444 B13R2.5179 Clc1ccc2c(I)cccc2c1 Amb25743943 [0,1,0,1,0,0|2,0,0]=4 8445 B13R2.5179 Clc1ccc2c(I)cccc2n1 Amb10601553 [0,1,0,1,0,0|2,0,0]=4 8446 B13R2.5179 Clc1cccc2cc(Br)ccc12 Amb26372387 [0,1,0,1,0,0|2,0,0]=4 8447 B13R2.5179 Clc1cccc2cc(I)ccc12 Amb25148787 [0,1,0,1,0,0|2,0,0]=4 8448 B13R2.5179 Clc1cccc2nc(Br)ccc12 Amb23448581 [0,1,0,1,0,0|2,0,0]=4 8449 B13R2.5179 Fc1ccc2c(Br)cccc2c1 Amb27816933 [0,1,0,1,0,0|2,0,0]=4 8450 B13R2.5179 Fc1ccc2c(Cl)cccc2c1 Amb25360850 [0,1,0,1,0,0|2,0,0]=4 8451 B13R2.5179 Fc1ccc2c(I)cccc2c1 Amb25063229 [0,1,0,1,0,0|2,0,0]=4 8452 B13R2.5179 Fc1cccc2cc(Cl)ccc12 Amb26590969 [0,1,0,1,0,0|2,0,0]=4 8453 B13R2.5179 Fc1cccc2cc(I)ccc12 Amb26517149 [0,1,0,1,0,0|2,0,0]=4 8454 B13R2.5179 Fc1cccc2nc(Cl)ccc12 Amb23401568 [0,1,0,1,0,0|2,0,0]=4 8455 B13R2.5179 Ic1ccc2c(I)cccc2c1 Amb24448388 [0,1,0,1,0,0|2,0,0]=4 8456 B13R2.5179 Nc1ccc2c(Br)cccc2c1 Amb17596045 [0,1,0,1,0,0|2,0,0]=4 8457 B13R2.5179 Nc1ccc2c(Br)cccc2n1 Amb22751754 [0,1,0,1,0,0|2,0,0]=4 8458 B13R2.5179 Nc1ccc2c(Cl)cccc2c1 Amb17594517 [0,1,0,1,0,0|2,0,0]=4 8459 B13R2.5179 Nc1ccc2c(Cl)cccc2n1 Amb18648194 [0,1,0,1,0,0|2,0,0]=4 8460 B13R2.5179 Nc1ccc2c(F)cccc2c1 Amb26980785 [0,1,0,1,0,0|2,0,0]=4 8461 B13R2.5179 Nc1ccc2c(F)cccc2n1 Amb33070917 [0,1,0,1,0,0|2,0,0]=4 8462 B13R2.5179 Nc1ccc2c(I)cccc2c1 Amb27462216 [0,1,0,1,0,0|2,0,0]=4 8463 B13R2.5179 Nc1ccc2c(N)cccc2c1 Amb17593962 [0,1,0,1,0,0|2,0,0]=4 8464 B13R2.5179 Nc1ccc2c(N)cccc2c1 Amb33611679 [0,1,0,1,0,0|2,0,0]=4 8465 B13R2.5179 Nc1ccc2c(O)cccc2c1 Amb2684495 [0,1,0,1,0,0|2,0,0]=4 8466 B13R2.5179 Nc1ccc2c(O)cccc2n1 Amb24485546 [0,1,0,1,0,0|2,0,0]=4 8467 B13R2.5179 Nc1cccc2c1C=CC(=O)N2 Amb22500953 [0,1,0,1,0,0|1,0,0]=3 8468 B13R2.5179 Nc1cccc2c1COC(=O)O2 Amb27864251 [0,1,0,1,0,0|1,0,1]=4 8469 B13R2.5179 Nc1cccc2cc(Br)ccc12 Amb25073486 [0,1,0,1,0,0|2,0,0]=4 8470 B13R2.5179 Nc1cccc2cc(Cl)ccc12 Amb17594521 [0,1,0,1,0,0|2,0,0]=4 8471 B13R2.5179 Nc1cccc2cc(F)ccc12 Amb22497264 [0,1,0,1,0,0|2,0,0]=4 8472 B13R2.5179 Nc1cccc2cc(F)ccc12 Amb31156387 [0,1,0,1,0,0|2,0,0]=4 8473 B13R2.5179 Nc1cccc2cc(I)ccc12 Amb24410696 [0,1,0,1,0,0|2,0,0]=4 8474 B13R2.5179 Nc1cccc2cc(O)ccc12 Amb2776482 [0,1,0,1,0,0|1,0,0]=3 8475 B13R2.5179 Nc1cccc2cc(O)cnc12 Amb24183774 [0,1,0,1,0,0|2,0,0]=4 8476 B13R2.5179 Nc1cccc2cc(O)ncc12 Amb22735996 [0,1,0,1,0,0|2,0,0]=4 8477 B13R2.5179 Nc1cccc2nc(Cl)ccc12 Amb22755337 [0,1,0,1,0,0|2,0,0]=4 8478 B13R2.5179 Nc1ccnc2cc(O)ccc12 Amb24738429 [0,1,0,1,0,0|2,0,0]=4 8479 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 Amb22371046 [0,1,0,1,0,0|2,0,0]=4 8480 B13R2.5179 O=C1C=CC2=C(C=CCC2=O)O1 Amb27441851 [0,1,0,1,0,0|0,0,1]=3 8481 B13R2.5179 O=C1C=CC=C2OC(O)=CC=C12 Amb27959181 [0,1,0,1,0,0|0,0,1]=3 8482 B13R2.5179 O=C1C=CN2C(Cl)=CC=CC2=C1 Amb27177994 [0,1,0,1,0,0|2,0,0]=4 8483 B13R2.5179 O=C1C=CNc2cc(O)ccc21 Amb19372691 [0,1,0,1,0,0|2,0,0]=4 8484 B13R2.5179 O=C1C=CNc2nc(O)ccc21 Amb18645589 [0,1,0,1,0,0|2,0,0]=4 8485 B13R2.5179 O=C1C=COc2cc(O)ccc21 Amb18645572 [0,1,0,1,0,0|2,0,0]=4 8486 B13R2.5179 O=C1C=Cc2c(Br)cccc2N1 Amb22263039 [0,1,0,1,0,0|1,0,0]=3 8487 B13R2.5179 O=C1C=Cc2c(Br)cccc2O1 Amb24682464 [0,1,0,1,0,0|0,0,0]=2 8488 B13R2.5179 O=C1C=Cc2c(Cl)cccc2O1 Amb24368459 [0,1,0,1,0,0|0,0,0]=2 8489 B13R2.5179 O=C1C=Cc2c(Cl)ccnc2N1 Amb27860185 [0,1,0,1,0,0|2,0,0]=4 8490 B13R2.5179 O=C1C=Cc2c(F)cccc2O1 Amb24675426 [0,1,0,1,0,0|0,0,0]=2 8491 B13R2.5179 O=C1C=Cc2c(I)cccc2O1 Amb27635036 [0,1,0,1,0,0|0,0,0]=2 8492 B13R2.5179 O=C1C=Cc2c(O)cccc2N1 Amb17933814 [0,1,0,1,0,0|1,0,0]=3 8493 B13R2.5179 O=C1C=Cc2c(O)cncc2N1 Amb18645583 [0,1,0,1,0,0|2,0,0]=4 8494 B13R2.5179 O=C1C=Cc2c(ccnc2Br)N1 Amb22754891 [0,1,0,1,0,0|2,0,0]=4 8495 B13R2.5179 O=C1C=Cc2c(ccnc2Cl)N1 Amb24658274 [0,1,0,1,0,0|2,0,0]=4 8496 B13R2.5179 O=C1C=Nc2c(Br)cccc2N1 Amb26895498 [0,1,0,1,0,0|2,0,0]=4 8497 B13R2.5179 O=C1CCc2c(Br)cccc2O1 Amb28246109 [0,1,0,1,0,0|0,0,2]=4 8498 B13R2.5179 O=C1CCc2c(O)cccc2O1 Amb27482210 [0,1,0,1,0,0|0,0,2]=4 8499 B13R2.5179 O=C1N=Cc2c(Cl)cccc2N1 Amb24532716 [0,1,0,1,0,0|2,0,0]=4 8500 B13R2.5179 O=C1NC=Cc2cc(O)ccc21 Amb19100709 [0,1,0,1,0,0|2,0,0]=4 8501 B13R2.5179 O=C1NCc2c(Br)cccc2O1 Amb33483912 [0,1,0,1,0,0|1,0,1]=4 8502 B13R2.5179 O=C1NCc2c(O)cccc2O1 Amb22491592 [0,1,0,1,0,0|1,0,1]=4 8503 B13R2.5179 O=C1OCc2c(F)cccc2O1 Amb26617650 [0,1,0,1,0,0|1,0,1]=4 8504 B13R2.5179 Oc1cc2cccc(Cl)c2cn1 Amb18648302 [0,1,0,1,0,0|2,0,0]=4 8505 B13R2.5179 Oc1cc2cccc(F)c2cn1 Amb24389770 [0,1,0,1,0,0|2,0,0]=4 8506 B13R2.5179 Oc1ccc2c(Br)cccc2c1 Amb17596082 [0,1,0,1,0,0|1,0,0]=3 8507 B13R2.5179 Oc1ccc2c(Br)cccc2n1 Amb22371958 [0,1,0,1,0,0|1,0,0]=3 8508 B13R2.5179 Oc1ccc2c(Br)cncc2c1 Amb30633582 [0,1,0,1,0,0|2,0,0]=4 8509 B13R2.5179 Oc1ccc2c(Cl)cccc2c1 Amb17594575 [0,1,0,1,0,0|1,0,0]=3 8510 B13R2.5179 Oc1ccc2c(Cl)cccc2n1 Amb24725156 [0,1,0,1,0,0|1,0,0]=3 8511 B13R2.5179 Oc1ccc2c(Cl)ccnc2c1 Amb15692116 [0,1,0,1,0,0|2,0,0]=4 8512 B13R2.5179 Oc1ccc2c(Cl)cncc2c1 Amb30633823 [0,1,0,1,0,0|2,0,0]=4 8513 B13R2.5179 Oc1ccc2c(Cl)nccc2c1 Amb26373442 [0,1,0,1,0,0|2,0,0]=4 8514 B13R2.5179 Oc1ccc2c(F)cccc2c1 Amb28342977 [0,1,0,1,0,0|1,0,0]=3 8515 B13R2.5179 Oc1ccc2c(F)cccc2n1 Amb23448556 [0,1,0,1,0,0|1,0,0]=3 8516 B13R2.5179 Oc1ccc2c(F)ccnc2c1 Amb27765950 [0,1,0,1,0,0|2,0,0]=4 8517 B13R2.5179 Oc1ccc2c(I)cccc2c1 Amb25883430 [0,1,0,1,0,0|1,0,0]=3 8518 B13R2.5179 Oc1ccc2c(I)cccc2n1 Amb23401167 [0,1,0,1,0,0|1,0,0]=3 8519 B13R2.5179 Oc1ccc2c(I)ccnc2c1 Amb28363710 [0,1,0,1,0,0|2,0,0]=4 8520 B13R2.5179 Oc1ccc2c(O)cccc2c1 Amb6357829 [0,1,0,1,0,0|1,0,0]=3 8521 B13R2.5179 Oc1ccc2c(O)nccc2n1 Amb32418299 [0,1,0,1,0,0|2,0,0]=4 8522 B13R2.5179 Oc1cccc2cc(Br)ccc12 Amb17596077 [0,1,0,1,0,0|2,0,0]=4 8523 B13R2.5179 Oc1cccc2cc(Cl)ccc12 Amb17594571 [0,1,0,1,0,0|2,0,0]=4 8524 B13R2.5179 Oc1cccc2cc(F)ccc12 Amb28458147 [0,1,0,1,0,0|2,0,0]=4 8525 B13R2.5179 Oc1cccc2cc(I)ccc12 Amb26016186 [0,1,0,1,0,0|2,0,0]=4 8526 B13R2.5179 Oc1cccc2nc(Br)ccc12 Amb25364902 [0,1,0,1,0,0|2,0,0]=4 8527 B13R2.5179 Oc1cccc2nc(Cl)ccc12 Amb20171608 [0,1,0,1,0,0|2,0,0]=4 8528 B13R2.5179 Oc1cccc2nc(F)ccc12 Amb25974048 [0,1,0,1,0,0|2,0,0]=4 8529 B13R2.5179 Oc1cccc2nc(I)ccc12 Amb27958473 [0,1,0,1,0,0|2,0,0]=4 8530 B13R2.5179 Oc1cnc2c(Br)cccc2c1 Amb22494958 [0,1,0,1,0,0|2,0,0]=4 8531 B13R2.5179 Oc1cnc2c(Cl)cccc2c1 Amb24183739 [0,1,0,1,0,0|2,0,0]=4 8532 B13R2.5179 Oc1cnc2c(Cl)cccc2n1 Amb22496024 [0,1,0,1,0,0|2,0,0]=4 8533 B13R2.5179 Oc1cnc2c(F)cccc2c1 Amb22899408 [0,1,0,1,0,0|2,0,0]=4 8534 B13R2.5179 Oc1cnc2c(O)cccc2c1 Amb27175611 [0,1,0,1,0,0|2,0,0]=4 8535 B13R2.5179 Oc1ncc2c(Br)cccc2n1 Amb25816213 [0,1,0,1,0,0|2,0,0]=4 8536 B13R2.5179 Oc1ncc2c(F)cccc2n1 Amb27840841 [0,1,0,1,0,0|2,0,0]=4 8537 B13R2.5179 Sc1ccc2c(Cl)cccc2n1 Amb23536157 [0,1,0,1,0,0|1,1,0]=4 8538 B13R2.5179 [O-][n+]1cccc2cc(O)ccc21 Amb23448831 [0,1,0,1,0,0|2,0,0]=4 8539 B13R2.162 Brc1ccc2cccc(Br)c2c1 Amb24367292 [0,1,0,1,0,0|2,0,0]=4 8540 B13R2.162 Brc1ccc2cccc(Br)c2n1 Amb10808403 [0,1,0,1,0,0|2,0,0]=4 8541 B13R2.162 Brc1ccc2cccc(I)c2c1 Amb24663180 [0,1,0,1,0,0|2,0,0]=4 8542 B13R2.162 Brc1ccc2cccc(I)c2n1 Amb27953661 [0,1,0,1,0,0|2,0,0]=4 8543 B13R2.162 Brc1cccc2ccc(I)cc12 Amb4016207 [0,1,0,1,0,0|2,0,0]=4 8544 B13R2.162 CC1=CC=CC2=CNC(=O)C=C12 Amb23401154 [0,1,0,1,0,0|2,0,0]=4 8545 B13R2.162 CN1C=CC=C2C=CC(=O)C=C21 Amb27614655 [0,1,0,1,0,0|2,0,0]=4 8546 B13R2.162 C[n+]1cccc2ccc(O)cc21 Amb27599338 [0,1,0,1,0,0|2,0,0]=4 8547 B13R2.162 Cc1ccc2cccc(Br)c2c1 Amb27619152 [0,1,0,1,0,0|2,0,0]=4 8548 B13R2.162 Cc1ccc2cccc(Br)c2n1 Amb2234931 [0,1,0,1,0,0|2,0,0]=4 8549 B13R2.162 Cc1ccc2cccc(C)c2c1 Amb6297868 [0,1,0,1,0,0|2,0,0]=4 8550 B13R2.162 Cc1ccc2cccc(C)c2n1 Amb13883939 [0,1,0,1,0,0|2,0,0]=4 8551 B13R2.162 Cc1ccc2cccc(C)c2n1 Amb1994369 [0,1,0,1,0,0|2,0,0]=4 8552 B13R2.162 Cc1ccc2cccc(Cl)c2c1 Amb24707706 [0,1,0,1,0,0|2,0,0]=4 8553 B13R2.162 Cc1ccc2cccc(Cl)c2n1 Amb2686459 [0,1,0,1,0,0|2,0,0]=4 8554 B13R2.162 Cc1ccc2cccc(F)c2c1 Amb24425397 [0,1,0,1,0,0|2,0,0]=4 8555 B13R2.162 Cc1ccc2cccc(F)c2n1 Amb17578178 [0,1,0,1,0,0|2,0,0]=4 8556 B13R2.162 Cc1ccc2cccc(I)c2c1 Amb27817685 [0,1,0,1,0,0|2,0,0]=4 8557 B13R2.162 Cc1ccc2cccc(I)c2n1 Amb2732184 [0,1,0,1,0,0|2,0,0]=4 8558 B13R2.162 Cc1ccc2cccc(N)c2c1 Amb22751119 [0,1,0,1,0,0|2,0,0]=4 8559 B13R2.162 Cc1ccc2cccc(N)c2n1 Amb6336162 [0,1,0,1,0,0|2,0,0]=4 8560 B13R2.162 Cc1ccc2cccc(O)c2c1 Amb17689149 [0,1,0,1,0,0|2,0,0]=4 8561 B13R2.162 Cc1ccc2cccc(O)c2n1 Amb1210122 [0,1,0,1,0,0|2,0,0]=4 8562 B13R2.162 Cc1ccc2cccc(O)c2n1 Amb24081196 [0,1,0,1,0,0|2,0,0]=4 8563 B13R2.162 Cc1ccc2cccc(S)c2n1 Amb26494302 [0,1,0,1,0,0|2,0,0]=4 8564 B13R2.162 Cc1cccc2c1NC(=O)C=C2 Amb18546019 [0,1,0,1,0,0|1,0,0]=3 8565 B13R2.162 Cc1cccc2c1OC(=O)C=C2 Amb28429789 [0,1,0,1,0,0|0,0,0]=2 8566 B13R2.162 Cc1cccc2c1OC(=O)CN2 Amb27199429 [0,1,0,1,0,0|1,0,1]=4 8567 B13R2.162 Cc1cccc2c1OC(=O)NC2 Amb28317854 [0,1,0,1,0,0|1,0,1]=4 8568 B13R2.162 Cc1cccc2c1OC(=O)OC2 Amb28077328 [0,1,0,1,0,0|1,0,1]=4 8569 B13R2.162 Cc1cccc2ccc(Br)cc12 Amb25771803 [0,1,0,1,0,0|2,0,0]=4 8570 B13R2.162 Cc1cccc2ccc(Br)nc12 Amb20171133 [0,1,0,1,0,0|2,0,0]=4 8571 B13R2.162 Cc1cccc2ccc(Cl)cc12 Amb25849279 [0,1,0,1,0,0|2,0,0]=4 8572 B13R2.162 Cc1cccc2ccc(Cl)nc12 Amb20171142 [0,1,0,1,0,0|2,0,0]=4 8573 B13R2.162 Cc1cccc2ccc(F)cc12 Amb24390185 [0,1,0,1,0,0|2,0,0]=4 8574 B13R2.162 Cc1cccc2ccc(I)cc12 Amb26517175 [0,1,0,1,0,0|2,0,0]=4 8575 B13R2.162 Cc1cccc2ccc(N)cc12 Amb22751121 [0,1,0,1,0,0|2,0,0]=4 8576 B13R2.162 Cc1cccc2ccc(N)nc12 Amb22886500 [0,1,0,1,0,0|2,0,0]=4 8577 B13R2.162 Cc1cccc2ccc(O)cc12 Amb28347350 [0,1,0,1,0,0|1,0,0]=3 8578 B13R2.162 Cc1cccc2ccc(S)nc12 Amb27495663 [0,1,0,1,0,0|1,1,0]=4 8579 B13R2.162 Cc1cccc2ncc(O)cc12 Amb25696317 [0,1,0,1,0,0|2,0,0]=4 8580 B13R2.162 Cc1ccnc2ccc(O)cc12 Amb17593985 [0,1,0,1,0,0|2,0,0]=4 8581 B13R2.162 Cc1cncc2ccc(O)cc12 Amb28340871 [0,1,0,1,0,0|2,0,0]=4 8582 B13R2.162 Cc1nccc2ccc(O)cc12 Amb27470974 [0,1,0,1,0,0|2,0,0]=4 8583 B13R2.162 Clc1ccc2cccc(Br)c2c1 Amb24451031 [0,1,0,1,0,0|2,0,0]=4 8584 B13R2.162 Clc1ccc2cccc(Br)c2n1 Amb13883519 [0,1,0,1,0,0|2,0,0]=4 8585 B13R2.162 Clc1ccc2cccc(Cl)c2c1 Amb25731654 [0,1,0,1,0,0|2,0,0]=4 8586 B13R2.162 Clc1ccc2cccc(Cl)c2n1 Amb2719782 [0,1,0,1,0,0|2,0,0]=4 8587 B13R2.162 Clc1ccc2cccc(I)c2c1 Amb27814338 [0,1,0,1,0,0|2,0,0]=4 8588 B13R2.162 Clc1ccc2cccc(I)c2n1 Amb26413854 [0,1,0,1,0,0|2,0,0]=4 8589 B13R2.162 Clc1cccc2ccc(Br)cc12 Amb24079753 [0,1,0,1,0,0|2,0,0]=4 8590 B13R2.162 Clc1cccc2ccc(Br)nc12 Amb20171122 [0,1,0,1,0,0|2,0,0]=4 8591 B13R2.162 Fc1ccc2cccc(Br)c2c1 Amb25150060 [0,1,0,1,0,0|2,0,0]=4 8592 B13R2.162 Fc1ccc2cccc(Br)c2n1 Amb27666007 [0,1,0,1,0,0|2,0,0]=4 8593 B13R2.162 Fc1ccc2cccc(Cl)c2c1 Amb28282810 [0,1,0,1,0,0|2,0,0]=4 8594 B13R2.162 Fc1ccc2cccc(F)c2c1 Amb26601031 [0,1,0,1,0,0|2,0,0]=4 8595 B13R2.162 Fc1ccc2cccc(I)c2c1 Amb24616468 [0,1,0,1,0,0|2,0,0]=4 8596 B13R2.162 Fc1cccc2ccc(Br)cc12 Amb26061306 [0,1,0,1,0,0|2,0,0]=4 8597 B13R2.162 Fc1cccc2ccc(Br)nc12 Amb27770043 [0,1,0,1,0,0|2,0,0]=4 8598 B13R2.162 Fc1cccc2ccc(Cl)cc12 Amb25104805 [0,1,0,1,0,0|2,0,0]=4 8599 B13R2.162 Fc1cccc2ccc(Cl)nc12 Amb20171130 [0,1,0,1,0,0|2,0,0]=4 8600 B13R2.162 Fc1cccc2ccc(I)cc12 Amb25148957 [0,1,0,1,0,0|2,0,0]=4 8601 B13R2.162 Fc1cccc2ccc(S)nc12 Amb23536127 [0,1,0,1,0,0|1,1,0]=4 8602 B13R2.162 Ic1ccc2cccc(I)c2c1 Amb26335509 [0,1,0,1,0,0|2,0,0]=4 8603 B13R2.162 Nc1ccc2cccc(Br)c2c1 Amb27796262 [0,1,0,1,0,0|2,0,0]=4 8604 B13R2.162 Nc1ccc2cccc(Br)c2n1 Amb20668795 [0,1,0,1,0,0|2,0,0]=4 8605 B13R2.162 Nc1ccc2cccc(Cl)c2c1 Amb17594514 [0,1,0,1,0,0|2,0,0]=4 8606 B13R2.162 Nc1ccc2cccc(Cl)c2n1 Amb18648198 [0,1,0,1,0,0|2,0,0]=4 8607 B13R2.162 Nc1ccc2cccc(F)c2c1 Amb24400529 [0,1,0,1,0,0|2,0,0]=4 8608 B13R2.162 Nc1ccc2cccc(F)c2n1 Amb22899302 [0,1,0,1,0,0|2,0,0]=4 8609 B13R2.162 Nc1ccc2cccc(I)c2c1 Amb25778164 [0,1,0,1,0,0|2,0,0]=4 8610 B13R2.162 Nc1ccc2cccc(N)c2c1 Amb17593961 [0,1,0,1,0,0|2,0,0]=4 8611 B13R2.162 Nc1ccc2cccc(N)c2n1 Amb23401122 [0,1,0,1,0,0|2,0,0]=4 8612 B13R2.162 Nc1ccc2cccc(O)c2c1 Amb17593982 [0,1,0,1,0,0|2,0,0]=4 8613 B13R2.162 Nc1ccc2cccc(O)c2n1 Amb2720259 [0,1,0,1,0,0|2,0,0]=4 8614 B13R2.162 Nc1cccc2c1NC(=O)C=C2 Amb18645297 [0,1,0,1,0,0|1,0,0]=3 8615 B13R2.162 Nc1cccc2c1NC(=O)C=C2 Amb22548256 [0,1,0,1,0,0|1,0,0]=3 8616 B13R2.162 Nc1cccc2c1OC(=O)C=C2 Amb18547323 [0,1,0,1,0,0|0,0,0]=2 8617 B13R2.162 Nc1cccc2c1OC(=O)NC2 Amb27237730 [0,1,0,1,0,0|1,0,1]=4 8618 B13R2.162 Nc1cccc2ccc(Br)cc12 Amb17596047 [0,1,0,1,0,0|2,0,0]=4 8619 B13R2.162 Nc1cccc2ccc(Br)nc12 Amb23399861 [0,1,0,1,0,0|2,0,0]=4 8620 B13R2.162 Nc1cccc2ccc(Cl)cc12 Amb17594520 [0,1,0,1,0,0|2,0,0]=4 8621 B13R2.162 Nc1cccc2ccc(Cl)nc12 Amb21618807 [0,1,0,1,0,0|2,0,0]=4 8622 B13R2.162 Nc1cccc2ccc(F)cc12 Amb24465110 [0,1,0,1,0,0|2,0,0]=4 8623 B13R2.162 Nc1cccc2ccc(I)cc12 Amb25784705 [0,1,0,1,0,0|2,0,0]=4 8624 B13R2.162 Nc1cccc2ccc(O)cc12 Amb17750263 [0,1,0,1,0,0|1,0,0]=3 8625 B13R2.162 Nc1cccc2ccc(S)cc12 Amb27657661 [0,1,0,1,0,0|1,1,0]=4 8626 B13R2.162 Nc1cccc2cnc(O)cc12 Amb22735993 [0,1,0,1,0,0|2,0,0]=4 8627 B13R2.162 Nc1cccc2ncc(O)cc12 Amb22899411 [0,1,0,1,0,0|2,0,0]=4 8628 B13R2.162 Nc1ccnc2c1NC(=O)C=C2 Amb27453645 [0,1,0,1,0,0|2,0,0]=4 8629 B13R2.162 O=C1C=CC2=CC=CC(=O)C2=C1 Amb27256369 [0,1,0,1,0,0|1,0,0]=3 8630 B13R2.162 O=C1C=CC2=CNC=C(Br)C2=N1 Amb27810684 [0,1,0,1,0,0|2,0,0]=4 8631 B13R2.162 O=C1C=CSc2ccc(O)cc21 Amb25714254 [0,1,0,1,0,0|2,0,0]=4 8632 B13R2.162 O=C1C=Cc2cccc(Br)c2N1 Amb17933211 [0,1,0,1,0,0|1,0,0]=3 8633 B13R2.162 O=C1C=Cc2cccc(Br)c2O1 Amb19957580 [0,1,0,1,0,0|0,0,0]=2 8634 B13R2.162 O=C1C=Cc2cccc(Cl)c2O1 Amb28073885 [0,1,0,1,0,0|0,0,0]=2 8635 B13R2.162 O=C1C=Cc2cccc(F)c2N1 Amb18546026 [0,1,0,1,0,0|1,0,0]=3 8636 B13R2.162 O=C1C=Cc2cccc(F)c2O1 Amb27272596 [0,1,0,1,0,0|0,0,0]=2 8637 B13R2.162 O=C1C=Cc2cccc(I)c2N1 Amb24579898 [0,1,0,1,0,0|1,0,0]=3 8638 B13R2.162 O=C1C=Cc2cccc(I)c2O1 Amb25206611 [0,1,0,1,0,0|0,0,0]=2 8639 B13R2.162 O=C1C=Cc2cccc(O)c2N1 Amb18038432 [0,1,0,1,0,0|1,0,0]=3 8640 B13R2.162 O=C1C=Cc2cccc(O)c2O1 Amb18645571 [0,1,0,1,0,0|0,0,0]=2 8641 B13R2.162 O=C1C=Cc2cncc(Br)c2N1 Amb22043947 [0,1,0,1,0,0|2,0,0]=4 8642 B13R2.162 O=C1C=Cc2cncc(Cl)c2N1 Amb33493991 [0,1,0,1,0,0|2,0,0]=4 8643 B13R2.162 O=C1C=Nc2cccc(Br)c2N1 Amb21963796 [0,1,0,1,0,0|2,0,0]=4 8644 B13R2.162 O=C1CCc2cccc(F)c2O1 Amb27751736 [0,1,0,1,0,0|0,0,2]=4 8645 B13R2.162 O=C1N=Cc2cccc(Cl)c2N1 Amb27153655 [0,1,0,1,0,0|2,0,0]=4 8646 B13R2.162 O=C1NC=Cc2ccc(O)cc21 Amb18645442 [0,1,0,1,0,0|2,0,0]=4 8647 B13R2.162 O=C1NCc2cccc(Br)c2O1 Amb33620613 [0,1,0,1,0,0|1,0,1]=4 8648 B13R2.162 O=C1NCc2cccc(Cl)c2O1 Amb33229149 [0,1,0,1,0,0|1,0,1]=4 8649 B13R2.162 O=C1NCc2cccc(O)c2O1 Amb25287566 [0,1,0,1,0,0|1,0,1]=4 8650 B13R2.162 O=C1OCc2cccc(O)c2O1 Amb27964323 [0,1,0,1,0,0|1,0,1]=4 8651 B13R2.162 O=c1ccc2cccc(Br)c2o1 Amb22230172 [0,1,0,1,0,0|0,0,0]=2 8652 B13R2.162 O=c1ccoc2ccc(O)cc12 Amb1304863 [0,1,0,1,0,0|2,0,0]=4 8653 B13R2.162 Oc1cc2c(Br)cccc2cn1 Amb21857983 [0,1,0,1,0,0|2,0,0]=4 8654 B13R2.162 Oc1cc2c(Cl)cccc2cn1 Amb23401156 [0,1,0,1,0,0|2,0,0]=4 8655 B13R2.162 Oc1cc2c(F)cccc2cn1 Amb23401157 [0,1,0,1,0,0|2,0,0]=4 8656 B13R2.162 Oc1cc2c(O)cccc2cn1 Amb27856805 [0,1,0,1,0,0|2,0,0]=4 8657 B13R2.162 Oc1ccc2cccc(Br)c2c1 Amb16231039 [0,1,0,1,0,0|1,0,0]=3 8658 B13R2.162 Oc1ccc2cccc(Br)c2n1 Amb22371957 [0,1,0,1,0,0|1,0,0]=3 8659 B13R2.162 Oc1ccc2cccc(Cl)c2c1 Amb17594577 [0,1,0,1,0,0|1,0,0]=3 8660 B13R2.162 Oc1ccc2cccc(Cl)c2n1 Amb22235418 [0,1,0,1,0,0|1,0,0]=3 8661 B13R2.162 Oc1ccc2cccc(F)c2c1 Amb18645622 [0,1,0,1,0,0|1,0,0]=3 8662 B13R2.162 Oc1ccc2cccc(I)c2c1 Amb25148831 [0,1,0,1,0,0|1,0,0]=3 8663 B13R2.162 Oc1ccc2cccc(O)c2c1 Amb8516929 [0,1,0,1,0,0|1,0,0]=3 8664 B13R2.162 Oc1ccc2cccc(O)c2n1 Amb4324700 [0,1,0,1,0,0|1,0,0]=3 8665 B13R2.162 Oc1ccc2ccnc(Cl)c2c1 Amb22001578 [0,1,0,1,0,0|2,0,0]=4 8666 B13R2.162 Oc1ccc2ccnc(F)c2c1 Amb35653851 [0,1,0,1,0,0|2,0,0]=4 8667 B13R2.162 Oc1ccc2ccnc(S)c2c1 Amb27664121 [0,1,0,1,0,0|2,0,0]=4 8668 B13R2.162 Oc1ccc2nccc(Cl)c2c1 Amb15692139 [0,1,0,1,0,0|2,0,0]=4 8669 B13R2.162 Oc1ccc2nccc(F)c2c1 Amb27474457 [0,1,0,1,0,0|2,0,0]=4 8670 B13R2.162 Oc1ccc2nccc(I)c2c1 Amb26935916 [0,1,0,1,0,0|2,0,0]=4 8671 B13R2.162 Oc1cccc2ccc(Br)cc12 Amb17596078 [0,1,0,1,0,0|2,0,0]=4 8672 B13R2.162 Oc1cccc2ccc(Br)nc12 Amb22501093 [0,1,0,1,0,0|2,0,0]=4 8673 B13R2.162 Oc1cccc2ccc(Cl)cc12 Amb17594572 [0,1,0,1,0,0|2,0,0]=4 8674 B13R2.162 Oc1cccc2ccc(Cl)nc12 Amb6369471 [0,1,0,1,0,0|2,0,0]=4 8675 B13R2.162 Oc1cccc2ccc(F)cc12 Amb18559372 [0,1,0,1,0,0|2,0,0]=4 8676 B13R2.162 Oc1cccc2ccc(F)nc12 Amb25793521 [0,1,0,1,0,0|2,0,0]=4 8677 B13R2.162 Oc1cccc2ccc(S)nc12 Amb17322674 [0,1,0,1,0,0|1,1,0]=4 8678 B13R2.162 Oc1cnc2cccc(Br)c2c1 Amb22494956 [0,1,0,1,0,0|2,0,0]=4 8679 B13R2.162 Oc1cnc2cccc(Cl)c2c1 Amb24183754 [0,1,0,1,0,0|2,0,0]=4 8680 B13R2.162 Oc1cnc2cccc(Cl)c2n1 Amb22496025 [0,1,0,1,0,0|2,0,0]=4 8681 B13R2.162 Oc1cnc2cccc(F)c2c1 Amb24183767 [0,1,0,1,0,0|2,0,0]=4 8682 B13R2.162 Oc1cnc2cccc(I)c2c1 Amb26868844 [0,1,0,1,0,0|2,0,0]=4 8683 B13R2.162 Oc1cnc2cccc(O)c2c1 Amb26861197 [0,1,0,1,0,0|2,0,0]=4 8684 B13R2.162 Sc1ccc2cccc(Br)c2n1 Amb23536158 [0,1,0,1,0,0|1,1,0]=4 8685 B13R2.162 Sc1ccc2cccc(Cl)c2n1 Amb23536153 [0,1,0,1,0,0|1,1,0]=4 8686 B13R2.3108 Cc1ccc2c(c1)C=CS2(=O)=O Amb27861123 [0,1,0,1,0,0|1,0,1]=4 8687 B13R2.3108 Nc1ccc2c(c1)C=CS2(=O)=O Amb25227828 [0,1,0,1,0,0|1,0,1]=4 8688 B13R2.3108 O=S1(=O)C=Cc2cc(Br)ccc21 Amb27258020 [0,1,0,1,0,0|1,0,1]=4 8689 B13R2.3108 O=S1(=O)C=Cc2cc(F)ccc21 Amb27953578 [0,1,0,1,0,0|1,0,1]=4 8690 B13R2.3108 O=S1(=O)C=Cc2cc(O)ccc21 Amb27861369 [0,1,0,1,0,0|1,0,1]=4 8691 B13R2.3683 Brc1ccc2cc(Br)ccc2c1 Amb4317505 [0,1,0,1,0,0|2,0,0]=4 8692 B13R2.3683 Brc1ccc2cc(I)ccc2c1 Amb21858593 [0,1,0,1,0,0|2,0,0]=4 8693 B13R2.3683 Brc1ccc2nc(Br)ccc2c1 Amb22263970 [0,1,0,1,0,0|2,0,0]=4 8694 B13R2.3683 CC1=CC2=CNC(=O)C=C2C=C1 Amb26015179 [0,1,0,1,0,0|2,0,0]=4 8695 B13R2.3683 Cc1cc2ccc(O)cc2cn1 Amb18645159 [0,1,0,1,0,0|2,0,0]=4 8696 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)N2 Amb18546035 [0,1,0,1,0,0|1,0,0]=3 8697 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 Amb18511482 [0,1,0,1,0,0|0,0,0]=2 8698 B13R2.3683 Cc1ccc2c(c1)C=CC(O)S2 Amb28069765 [0,1,0,1,0,0|0,1,1]=4 8699 B13R2.3683 Cc1ccc2c(c1)C=NC(=O)N2 Amb24741810 [0,1,0,1,0,0|2,0,0]=4 8700 B13R2.3683 Cc1ccc2c(c1)CCC(=O)O2 Amb21928518 [0,1,0,1,0,0|0,0,2]=4 8701 B13R2.3683 Cc1ccc2c(c1)COC(=O)O2 Amb28208598 [0,1,0,1,0,0|1,0,1]=4 8702 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 Amb2685485 [0,1,0,1,0,0|2,0,0]=4 8703 B13R2.3683 Cc1ccc2cc(C)ccc2c1 Amb6297769 [0,1,0,1,0,0|2,0,0]=4 8704 B13R2.3683 Cc1ccc2cc(Cl)ccc2c1 Amb27490799 [0,1,0,1,0,0|2,0,0]=4 8705 B13R2.3683 Cc1ccc2cc(Cl)ccc2n1 Amb2686458 [0,1,0,1,0,0|2,0,0]=4 8706 B13R2.3683 Cc1ccc2cc(F)ccc2c1 Amb2725263 [0,1,0,1,0,0|2,0,0]=4 8707 B13R2.3683 Cc1ccc2cc(F)ccc2n1 Amb2688236 [0,1,0,1,0,0|2,0,0]=4 8708 B13R2.3683 Cc1ccc2cc(I)ccc2c1 Amb26517135 [0,1,0,1,0,0|2,0,0]=4 8709 B13R2.3683 Cc1ccc2cc(I)ccc2n1 Amb17586361 [0,1,0,1,0,0|2,0,0]=4 8710 B13R2.3683 Cc1ccc2cc(N)ccc2c1 Amb22490950 [0,1,0,1,0,0|2,0,0]=4 8711 B13R2.3683 Cc1ccc2cc(N)ccc2n1 Amb1034891 [0,1,0,1,0,0|2,0,0]=4 8712 B13R2.3683 Cc1ccc2cc(O)ccc2c1 Amb21964548 [0,1,0,1,0,0|1,0,0]=3 8713 B13R2.3683 Cc1ccc2cc(O)ccc2n1 Amb3319419 [0,1,0,1,0,0|2,0,0]=4 8714 B13R2.3683 Cc1ccc2cc(O)cnc2c1 Amb24407164 [0,1,0,1,0,0|2,0,0]=4 8715 B13R2.3683 Cc1ccc2cc(S)ccc2n1 Amb28256298 [0,1,0,1,0,0|2,0,0]=4 8716 B13R2.3683 Cc1ccc2nc(Br)ccc2c1 Amb2610689 [0,1,0,1,0,0|2,0,0]=4 8717 B13R2.3683 Cc1ccc2nc(C)ccc2c1 Amb1152516 [0,1,0,1,0,0|2,0,0]=4 8718 B13R2.3683 Cc1ccc2nc(Cl)ccc2c1 Amb5718537 [0,1,0,1,0,0|2,0,0]=4 8719 B13R2.3683 Cc1ccc2nc(N)ccc2c1 Amb8386595 [0,1,0,1,0,0|2,0,0]=4 8720 B13R2.3683 Cc1ccc2nc(S)ccc2c1 Amb23536152 [0,1,0,1,0,0|1,1,0]=4 8721 B13R2.3683 Cc1cnc2cc(O)ccc2c1 Amb25046100 [0,1,0,1,0,0|2,0,0]=4 8722 B13R2.3683 Clc1ccc2cc(Br)ccc2c1 Amb22054542 [0,1,0,1,0,0|2,0,0]=4 8723 B13R2.3683 Clc1ccc2cc(Br)ccc2n1 Amb4449864 [0,1,0,1,0,0|2,0,0]=4 8724 B13R2.3683 Clc1ccc2cc(Cl)ccc2c1 Amb4021784 [0,1,0,1,0,0|2,0,0]=4 8725 B13R2.3683 Clc1ccc2cc(I)ccc2c1 Amb24594378 [0,1,0,1,0,0|2,0,0]=4 8726 B13R2.3683 Clc1ccc2cc(I)ccc2n1 Amb4449865 [0,1,0,1,0,0|2,0,0]=4 8727 B13R2.3683 Clc1ccc2nc(Cl)ccc2c1 Amb4449863 [0,1,0,1,0,0|2,0,0]=4 8728 B13R2.3683 Fc1ccc2cc(Br)ccc2c1 Amb16231048 [0,1,0,1,0,0|2,0,0]=4 8729 B13R2.3683 Fc1ccc2cc(Br)ccc2n1 Amb31289575 [0,1,0,1,0,0|2,0,0]=4 8730 B13R2.3683 Fc1ccc2cc(Cl)ccc2c1 Amb24707840 [0,1,0,1,0,0|2,0,0]=4 8731 B13R2.3683 Fc1ccc2cc(Cl)ccc2n1 Amb27200639 [0,1,0,1,0,0|2,0,0]=4 8732 B13R2.3683 Fc1ccc2cc(F)ccc2c1 Amb26967084 [0,1,0,1,0,0|2,0,0]=4 8733 B13R2.3683 Fc1ccc2cc(I)ccc2c1 Amb24743550 [0,1,0,1,0,0|2,0,0]=4 8734 B13R2.3683 Fc1ccc2nc(Br)ccc2c1 Amb23448576 [0,1,0,1,0,0|2,0,0]=4 8735 B13R2.3683 Fc1ccc2nc(Cl)ccc2c1 Amb20171071 [0,1,0,1,0,0|2,0,0]=4 8736 B13R2.3683 Fc1ccc2nc(S)ccc2c1 Amb23536133 [0,1,0,1,0,0|1,1,0]=4 8737 B13R2.3683 Ic1ccc2cc(I)ccc2c1 Amb25148656 [0,1,0,1,0,0|2,0,0]=4 8738 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)N2 Amb18545101 [0,1,0,1,0,0|1,0,0]=3 8739 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)O2 Amb18943698 [0,1,0,1,0,0|0,0,0]=2 8740 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)O2 Amb22732663 [0,1,0,1,0,0|0,0,0]=2 8741 B13R2.3683 Nc1ccc2c(c1)C=CC(=O)S2 Amb18825000 [0,1,0,1,0,0|0,1,0]=3 8742 B13R2.3683 Nc1ccc2c(c1)CNC(=O)O2 Amb28054876 [0,1,0,1,0,0|1,0,1]=4 8743 B13R2.3683 Nc1ccc2c(c1)N=CC(=O)N2 Amb22233899 [0,1,0,1,0,0|2,0,0]=4 8744 B13R2.3683 Nc1ccc2cc(Br)ccc2c1 Amb1348322 [0,1,0,1,0,0|2,0,0]=4 8745 B13R2.3683 Nc1ccc2cc(Br)ccc2c1 Amb22234013 [0,1,0,1,0,0|2,0,0]=4 8746 B13R2.3683 Nc1ccc2cc(Br)ccc2n1 Amb33545190 [0,1,0,1,0,0|2,0,0]=4 8747 B13R2.3683 Nc1ccc2cc(Br)ccc2n1 Amb9134114 [0,1,0,1,0,0|2,0,0]=4 8748 B13R2.3683 Nc1ccc2cc(Cl)ccc2c1 Amb17594516 [0,1,0,1,0,0|2,0,0]=4 8749 B13R2.3683 Nc1ccc2cc(Cl)ccc2n1 Amb8386594 [0,1,0,1,0,0|2,0,0]=4 8750 B13R2.3683 Nc1ccc2cc(F)ccc2c1 Amb22234014 [0,1,0,1,0,0|2,0,0]=4 8751 B13R2.3683 Nc1ccc2cc(F)ccc2n1 Amb8386593 [0,1,0,1,0,0|2,0,0]=4 8752 B13R2.3683 Nc1ccc2cc(I)ccc2c1 Amb25309310 [0,1,0,1,0,0|2,0,0]=4 8753 B13R2.3683 Nc1ccc2cc(N)ccc2c1 Amb17843067 [0,1,0,1,0,0|2,0,0]=4 8754 B13R2.3683 Nc1ccc2cc(O)ccc2c1 Amb17843066 [0,1,0,1,0,0|1,0,0]=3 8755 B13R2.3683 Nc1ccc2cc(O)cnc2c1 Amb22899407 [0,1,0,1,0,0|2,0,0]=4 8756 B13R2.3683 Nc1ccc2cc(O)ncc2c1 Amb22735997 [0,1,0,1,0,0|2,0,0]=4 8757 B13R2.3683 Nc1ccc2cc(S)ccc2c1 Amb18647917 [0,1,0,1,0,0|1,1,0]=4 8758 B13R2.3683 Nc1ccc2nc(Cl)ccc2c1 Amb21963603 [0,1,0,1,0,0|2,0,0]=4 8759 B13R2.3683 Nc1ccc2nc(F)ccc2c1 Amb33035701 [0,1,0,1,0,0|2,0,0]=4 8760 B13R2.3683 Nc1ccc2nc(N)ccc2c1 Amb9310332 [0,1,0,1,0,0|2,0,0]=4 8761 B13R2.3683 Nc1ccc2nc(O)ccc2c1 Amb9310455 [0,1,0,1,0,0|1,0,0]=3 8762 B13R2.3683 Nc1ccc2nc(S)ccc2c1 Amb33529206 [0,1,0,1,0,0|1,1,0]=4 8763 B13R2.3683 Nc1cnc2cc(O)ccc2c1 Amb27590358 [0,1,0,1,0,0|2,0,0]=4 8764 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 Amb22491672 [0,1,0,1,0,0|2,0,0]=4 8765 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 Amb17778320 [0,1,0,1,0,0|1,0,0]=3 8766 B13R2.3683 O=C1C=Cc2cc(Br)ccc2N1 Amb17933294 [0,1,0,1,0,0|1,0,0]=3 8767 B13R2.3683 O=C1C=Cc2cc(Br)ccc2O1 Amb19957650 [0,1,0,1,0,0|0,0,0]=2 8768 B13R2.3683 O=C1C=Cc2cc(Br)cnc2N1 Amb19664780 [0,1,0,1,0,0|2,0,0]=4 8769 B13R2.3683 O=C1C=Cc2cc(Cl)ccc2N1 Amb18044542 [0,1,0,1,0,0|1,0,0]=3 8770 B13R2.3683 O=C1C=Cc2cc(Cl)cnc2N1 Amb19959273 [0,1,0,1,0,0|2,0,0]=4 8771 B13R2.3683 O=C1C=Cc2cc(Cl)ncc2N1 Amb22002290 [0,1,0,1,0,0|2,0,0]=4 8772 B13R2.3683 O=C1C=Cc2cc(F)ccc2N1 Amb17933800 [0,1,0,1,0,0|1,0,0]=3 8773 B13R2.3683 O=C1C=Cc2cc(I)ccc2O1 Amb27462170 [0,1,0,1,0,0|0,0,0]=2 8774 B13R2.3683 O=C1C=Cc2cc(O)ccc2N1 Amb18645437 [0,1,0,1,0,0|1,0,0]=3 8775 B13R2.3683 O=C1C=Cc2cc(O)ccc2O1 Amb18511478 [0,1,0,1,0,0|0,0,0]=2 8776 B13R2.3683 O=C1C=Cc2cc(O)ccc2S1 Amb28253939 [0,1,0,1,0,0|0,1,0]=3 8777 B13R2.3683 O=C1C=Cc2nc(Br)ccc2N1 Amb28399578 [0,1,0,1,0,0|2,0,0]=4 8778 B13R2.3683 O=C1C=Cc2nc(Cl)ccc2N1 Amb24717025 [0,1,0,1,0,0|2,0,0]=4 8779 B13R2.3683 O=C1C=Nc2cc(Br)ccc2N1 Amb20241318 [0,1,0,1,0,0|2,0,0]=4 8780 B13R2.3683 O=C1C=Nc2cc(Cl)ccc2N1 Amb19957505 [0,1,0,1,0,0|2,0,0]=4 8781 B13R2.3683 O=C1C=Nc2cc(F)ccc2N1 Amb19957557 [0,1,0,1,0,0|2,0,0]=4 8782 B13R2.3683 O=C1CCc2cc(Br)ccc2O1 Amb10603027 [0,1,0,1,0,0|0,0,2]=4 8783 B13R2.3683 O=C1CCc2cc(I)ccc2O1 Amb27616956 [0,1,0,1,0,0|0,0,2]=4 8784 B13R2.3683 O=C1CCc2cc(O)ccc2O1 Amb24097420 [0,1,0,1,0,0|0,0,2]=4 8785 B13R2.3683 O=C1CNc2cc(F)ccc2O1 Amb27791254 [0,1,0,1,0,0|1,0,1]=4 8786 B13R2.3683 O=C1CSc2cc(O)ccc2O1 Amb2667797 [0,1,0,1,0,0|1,0,1]=4 8787 B13R2.3683 O=C1N=Cc2cc(Br)ccc2N1 Amb21858215 [0,1,0,1,0,0|2,0,0]=4 8788 B13R2.3683 O=C1NCc2cc(Br)ccc2O1 Amb21858217 [0,1,0,1,0,0|1,0,1]=4 8789 B13R2.3683 O=C1NCc2cc(O)ccc2O1 Amb28140847 [0,1,0,1,0,0|1,0,1]=4 8790 B13R2.3683 O=C1OCc2cc(Br)ccc2O1 Amb32698536 [0,1,0,1,0,0|1,0,1]=4 8791 B13R2.3683 O=C1OCc2cc(Cl)ccc2O1 Amb32698537 [0,1,0,1,0,0|1,0,1]=4 8792 B13R2.3683 O=C1OCc2cc(F)ccc2O1 Amb27816763 [0,1,0,1,0,0|1,0,1]=4 8793 B13R2.3683 Oc1cc2ccc(Br)cc2cn1 Amb16185814 [0,1,0,1,0,0|2,0,0]=4 8794 B13R2.3683 Oc1cc2ccc(F)cc2cn1 Amb25127158 [0,1,0,1,0,0|2,0,0]=4 8795 B13R2.3683 Oc1ccc2c(c1)C=CC(=S)O2 Amb28054363 [0,1,0,1,0,0|0,1,0]=3 8796 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 Amb1333685 [0,1,0,1,0,0|1,0,0]=3 8797 B13R2.3683 Oc1ccc2cc(Br)ccc2n1 Amb1994326 [0,1,0,1,0,0|1,0,0]=3 8798 B13R2.3683 Oc1ccc2cc(Br)cnc2c1 Amb22491312 [0,1,0,1,0,0|2,0,0]=4 8799 B13R2.3683 Oc1ccc2cc(Br)cnc2n1 Amb4560917 [0,1,0,1,0,0|2,0,0]=4 8800 B13R2.3683 Oc1ccc2cc(Cl)ccc2c1 Amb17777189 [0,1,0,1,0,0|1,0,0]=3 8801 B13R2.3683 Oc1ccc2cc(Cl)cnc2c1 Amb22494665 [0,1,0,1,0,0|2,0,0]=4 8802 B13R2.3683 Oc1ccc2cc(Cl)ncc2c1 Amb22735857 [0,1,0,1,0,0|2,0,0]=4 8803 B13R2.3683 Oc1ccc2cc(F)ccc2c1 Amb22751763 [0,1,0,1,0,0|1,0,0]=3 8804 B13R2.3683 Oc1ccc2cc(F)cnc2c1 Amb24102179 [0,1,0,1,0,0|2,0,0]=4 8805 B13R2.3683 Oc1ccc2cc(I)ccc2c1 Amb25669689 [0,1,0,1,0,0|1,0,0]=3 8806 B13R2.3683 Oc1ccc2cc(I)ccc2n1 Amb19958372 [0,1,0,1,0,0|1,0,0]=3 8807 B13R2.3683 Oc1ccc2cc(I)cnc2c1 Amb22494874 [0,1,0,1,0,0|2,0,0]=4 8808 B13R2.3683 Oc1ccc2cc(O)ccc2c1 Amb2708568 [0,1,0,1,0,0|1,0,0]=3 8809 B13R2.3683 Oc1ccc2cc(S)ccc2c1 Amb17594487 [0,1,0,1,0,0|1,0,0]=3 8810 B13R2.3683 Oc1ccc2nc(Br)ccc2c1 Amb22501097 [0,1,0,1,0,0|2,0,0]=4 8811 B13R2.3683 Oc1ccc2nc(Cl)ccc2c1 Amb21856139 [0,1,0,1,0,0|2,0,0]=4 8812 B13R2.3683 Oc1ccc2nc(F)ccc2c1 Amb26494930 [0,1,0,1,0,0|2,0,0]=4 8813 B13R2.3683 Oc1ccc2nc(I)ccc2c1 Amb26370795 [0,1,0,1,0,0|2,0,0]=4 8814 B13R2.3683 Oc1ccc2nc(O)ccc2c1 Amb9825996 [0,1,0,1,0,0|1,0,0]=3 8815 B13R2.3683 Oc1cnc2cc(Br)ccc2c1 Amb22494957 [0,1,0,1,0,0|2,0,0]=4 8816 B13R2.3683 Oc1cnc2cc(Br)ccc2n1 Amb18659002 [0,1,0,1,0,0|2,0,0]=4 8817 B13R2.3683 Oc1cnc2cc(Cl)ccc2c1 Amb24183780 [0,1,0,1,0,0|2,0,0]=4 8818 B13R2.3683 Oc1cnc2cc(F)ccc2c1 Amb24183788 [0,1,0,1,0,0|2,0,0]=4 8819 B13R2.3683 Oc1cnc2cc(I)ccc2c1 Amb25883423 [0,1,0,1,0,0|2,0,0]=4 8820 B13R2.3683 Oc1cnc2cc(O)ccc2c1 Amb27214209 [0,1,0,1,0,0|2,0,0]=4 8821 B13R2.3683 Oc1ncc2cc(Cl)ccc2n1 Amb24623653 [0,1,0,1,0,0|2,0,0]=4 8822 B13R2.3683 Oc1ncc2cc(F)ccc2n1 Amb25086066 [0,1,0,1,0,0|2,0,0]=4 8823 B13R2.3683 Sc1ccc2cc(Br)ccc2n1 Amb23536160 [0,1,0,1,0,0|1,1,0]=4 8824 B13R2.3683 Sc1ccc2cc(Cl)ccc2n1 Amb23536156 [0,1,0,1,0,0|1,1,0]=4 8825 B13R2.3683 Sc1ccc2cc(S)ccc2c1 Amb21954243 [0,1,0,1,0,0|1,1,0]=4 8826 B13R2.3683 [NH3+]c1ccc2c(c1)C=CC(=O)O2 Amb24113859 [0,1,0,1,0,0|0,0,0]=2 8827 B13R2.4854 O=C(O)C1Cc2cccc(Cl)c21 Amb32794570 [0,1,0,1,0,0|0,0,2]=4 8828 B13R2.5331 Cc1cccc(\C=C\C2CO2)c1 Amb27493401 [0,1,0,1,0,0|1,0,1]=4 8829 B13R2.5331 Clc1cccc(\C=C\C2CO2)c1 Amb26349252 [0,1,0,1,0,0|1,0,1]=4 8830 B13R2.5331 Fc1cccc(\C=C\C2CO2)c1 Amb26588350 [0,1,0,1,0,0|1,0,1]=4 8831 B13R3.1970 c1ccc2cc3c(cc2c1)C3 Amb27186095 [0,0,0,2,0,0|2,0,0]=4 8832 B13R3.28 C1=CC2OC2c3ccccc31 Amb25839378 [0,0,0,2,0,0|1,0,1]=4 8833 B13R3.28 C1=Cc2ccccc2N3C=C13 Amb26478756 [0,0,0,2,0,0|2,0,0]=4 8834 B9R0.4 CC(\C=C\C=O)=C/C(=O)O Amb27663875 [0,0,1,0,1,0|1,0,1]=4 8835 B9R1.12 C=C\C=C\c1cccs1 Amb26418485 [1,0,0,0,1,0|2,0,0]=4 8836 B9R1.12 C=C\C=C\c1ccsc1 Amb26569661 [1,0,0,0,1,0|2,0,0]=4 8837 B9R1.12 O=C\C=C/c1ccco1 Amb27590405 [1,0,0,0,1,0|1,0,0]=3 8838 B9R1.12 O=C\C=C\c1ccco1 Amb33870988 [1,0,0,0,1,0|1,0,0]=3 8839 B9R1.12 O=C\C=C\c1cccs1 Amb17334164 [1,0,0,0,1,0|1,0,0]=3 8840 B9R1.12 O=C\C=C\c1ccns1 Amb35719811 [1,0,0,0,1,0|2,0,0]=4 8841 B9R1.12 O=C\C=C\c1ccoc1 Amb33136412 [1,0,0,0,1,0|1,0,0]=3 8842 B9R1.12 O=C\C=C\c1ccon1 Amb33197559 [1,0,0,0,1,0|2,0,0]=4 8843 B9R1.12 O=C\C=C\c1ccsc1 Amb18643292 [1,0,0,0,1,0|1,0,0]=3 8844 B9R1.12 O=C\C=C\c1cnco1 Amb33414801 [1,0,0,0,1,0|2,0,0]=4 8845 B9R1.12 O=C\C=C\c1cncs1 Amb33079492 [1,0,0,0,1,0|2,0,0]=4 8846 B9R1.12 O=C\C=C\c1cscn1 Amb25299918 [1,0,0,0,1,0|2,0,0]=4 8847 B9R1.12 O=C\C=C\c1nccs1 Amb33359384 [1,0,0,0,1,0|2,0,0]=4 8848 B9R1.12 O=C\C=C\n1cccn1 Amb18642043 [1,0,0,0,1,0|2,0,0]=4 8849 B9R1.12 OC\C=C\c1ccco1 Amb837544 [1,0,0,0,1,0|1,0,1]=4 8850 B9R1.12 OC\C=C\c1cccs1 Amb23555588 [1,0,0,0,1,0|1,0,1]=4 8851 B9R1.12 OC\C=C\c1ccoc1 Amb33136449 [1,0,0,0,1,0|1,0,1]=4 8852 B9R1.12 OC\C=C\c1ccsc1 Amb33136405 [1,0,0,0,1,0|1,0,1]=4 8853 B9R1.12 OC\C=C\n1cccc1 Amb28049227 [1,0,0,0,1,0|1,0,1]=4 8854 B9R1.6 C=C(Br)c1ccccc1 Amb8516473 [0,0,0,0,2,0|2,0,0]=4 8855 B9R1.6 C=C(C)c1ccccc1 Amb8394996 [0,0,0,0,2,0|2,0,0]=4 8856 B9R1.6 C=C(Cl)c1ccccc1 Amb27775278 [0,0,0,0,2,0|2,0,0]=4 8857 B9R1.6 C=C(F)c1ccccc1 Amb22738583 [0,0,0,0,2,0|2,0,0]=4 8858 B9R1.6 CC(=O)c1ccccc1 Amb2792761 [0,0,0,0,2,0|1,0,0]=3 8859 B9R1.6 CC(=O)c1ccccn1 Amb932786 [0,0,0,0,2,0|2,0,0]=4 8860 B9R1.6 CC(=O)c1cccnc1 Amb2610530 [0,0,0,0,2,0|2,0,0]=4 8861 B9R1.6 CC(=O)c1ccncc1 Amb2792762 [0,0,0,0,2,0|2,0,0]=4 8862 B9R1.6 CC(O)c1ccccc1 Amb3940114 [0,0,0,0,2,0|1,0,1]=4 8863 B9R1.6 CN(O)c1ccccc1 Amb28245898 [0,0,0,0,2,0|2,0,0]=4 8864 B9R1.6 CS(=O)c1ccccc1 Amb8516154 [0,0,0,0,2,0|2,0,0]=4 8865 B9R1.6 C[C@@H](O)c1ccccc1 Amb6366772 [0,0,0,0,2,0|1,0,1]=4 8866 B9R1.6 C[C@H](O)c1ccccc1 Amb4021849 [0,0,0,0,2,0|1,0,1]=4 8867 B9R1.6 N=C(Cl)c1ccccc1 Amb28285285 [0,0,0,0,2,0|2,0,0]=4 8868 B9R1.6 N=C(N)c1ccccc1 Amb10068704 [0,0,0,0,2,0|2,0,0]=4 8869 B9R1.6 N=C(N)c1ccccc1 Amb2371546 [0,0,0,0,2,0|2,0,0]=4 8870 B9R1.6 N=C(N)c1ccccc1 Amb6337518 [0,0,0,0,2,0|2,0,0]=4 8871 B9R1.6 NC(=O)[n+]1ccccc1 Amb27806689 [0,0,0,0,2,0|2,0,0]=4 8872 B9R1.6 NC(=O)c1ccc[nH+]c1 Amb8465811 [0,0,0,0,2,0|2,0,0]=4 8873 B9R1.6 NC(=O)c1ccccc1 Amb6399766 [0,0,0,0,2,0|1,0,0]=3 8874 B9R1.6 NC(=O)c1ccccn1 Amb1219876 [0,0,0,0,2,0|2,0,0]=4 8875 B9R1.6 NC(=O)c1cccnc1 Amb2609940 [0,0,0,0,2,0|2,0,0]=4 8876 B9R1.6 NC(=O)c1ccncc1 Amb5721989 [0,0,0,0,2,0|2,0,0]=4 8877 B9R1.6 NC(=S)c1ccccc1 Amb6338789 [0,0,0,0,2,0|1,1,0]=4 8878 B9R1.6 NS(=O)c1ccccc1 Amb26487323 [0,0,0,0,2,0|2,0,0]=4 8879 B9R1.6 O=C(Br)c1ccccc1 Amb8513573 [0,0,0,0,2,0|1,0,0]=3 8880 B9R1.6 O=C(Cl)c1cc[nH+]cc1 Amb21952993 [0,0,0,0,2,0|2,0,0]=4 8881 B9R1.6 O=C(Cl)c1ccccc1 Amb3939302 [0,0,0,0,2,0|1,0,0]=3 8882 B9R1.6 O=C(Cl)c1ccccn1 Amb22492448 [0,0,0,0,2,0|2,0,0]=4 8883 B9R1.6 O=C(Cl)c1ccccn1 Amb2690341 [0,0,0,0,2,0|2,0,0]=4 8884 B9R1.6 O=C(Cl)c1ccccn1 Amb3939534 [0,0,0,0,2,0|2,0,0]=4 8885 B9R1.6 O=C(Cl)c1cccnc1 Amb33531191 [0,0,0,0,2,0|2,0,0]=4 8886 B9R1.6 O=C(Cl)c1cccnc1 Amb839669 [0,0,0,0,2,0|2,0,0]=4 8887 B9R1.6 O=C(Cl)c1ccncc1 Amb2707217 [0,0,0,0,2,0|2,0,0]=4 8888 B9R1.6 O=C(Cl)c1ccncc1 Amb2720189 [0,0,0,0,2,0|2,0,0]=4 8889 B9R1.6 O=C(F)c1ccccc1 Amb10607152 [0,0,0,0,2,0|1,0,0]=3 8890 B9R1.6 O=C(O)C1=CCOC=C1 Amb27860440 [0,0,0,0,2,0|1,0,1]=4 8891 B9R1.6 O=C(O)C1C=CCC=C1 Amb17593268 [0,0,0,0,2,0|0,0,2]=4 8892 B9R1.6 O=C(O)c1ccccc1 Amb1935196 [0,0,0,0,2,0|0,0,0]=2 8893 B9R1.6 O=C(O)c1ccccc1 Amb22002523 [0,0,0,0,2,0|0,0,0]=2 8894 B9R1.6 O=C(O)c1ccccc1 Amb22336602 [0,0,0,0,2,0|0,0,0]=2 8895 B9R1.6 O=C(O)c1ccccc1 Amb22351742 [0,0,0,0,2,0|0,0,0]=2 8896 B9R1.6 O=C(O)c1ccccn1 Amb1227737 [0,0,0,0,2,0|1,0,0]=3 8897 B9R1.6 O=C(O)c1ccccn1 Amb4035065 [0,0,0,0,2,0|1,0,0]=3 8898 B9R1.6 O=C(O)c1cccnc1 Amb1195995 [0,0,0,0,2,0|1,0,0]=3 8899 B9R1.6 O=C(O)c1cccnn1 Amb33544461 [0,0,0,0,2,0|2,0,0]=4 8900 B9R1.6 O=C(O)c1ccncc1 Amb2609990 [0,0,0,0,2,0|1,0,0]=3 8901 B9R1.6 O=C(O)c1ccncn1 Amb1102414 [0,0,0,0,2,0|2,0,0]=4 8902 B9R1.6 O=C(O)c1ccnnc1 Amb2691390 [0,0,0,0,2,0|2,0,0]=4 8903 B9R1.6 O=C(O)c1cnccn1 Amb2455963 [0,0,0,0,2,0|2,0,0]=4 8904 B9R1.6 O=C(O)c1cncnc1 Amb24099331 [0,0,0,0,2,0|2,0,0]=4 8905 B9R1.6 O=C(O)c1cncnc1 Amb33527289 [0,0,0,0,2,0|2,0,0]=4 8906 B9R1.6 O=C(O)c1ncccn1 Amb19330380 [0,0,0,0,2,0|2,0,0]=4 8907 B9R1.6 O=C(O)c1ncccn1 Amb2720395 [0,0,0,0,2,0|2,0,0]=4 8908 B9R1.6 O=C(S)c1ccccc1 Amb8513358 [0,0,0,0,2,0|0,1,0]=3 8909 B9R1.6 O=C([O-])c1ccccc1 Amb22053472 [0,0,0,0,2,0|0,0,1]=3 8910 B9R1.6 O=C([O-])c1ccccc1 Amb22168438 [0,0,0,0,2,0|0,0,1]=3 8911 B9R1.6 O=C([O-])c1ccccc1 Amb8387740 [0,0,0,0,2,0|0,0,1]=3 8912 B9R1.6 O=C([O-])c1ccccc1 Amb8513916 [0,0,0,0,2,0|0,0,1]=3 8913 B9R1.6 O=C([O-])c1ccccc1 Amb8517378 [0,0,0,0,2,0|0,0,1]=3 8914 B9R1.6 O=C([O-])c1ccccn1 Amb22058087 [0,0,0,0,2,0|1,0,1]=4 8915 B9R1.6 O=C([O-])c1ccccn1 Amb22734923 [0,0,0,0,2,0|1,0,1]=4 8916 B9R1.6 O=C([O-])c1ccccn1 Amb8393579 [0,0,0,0,2,0|1,0,1]=4 8917 B9R1.6 O=C([O-])c1ccccn1 Amb8393582 [0,0,0,0,2,0|1,0,1]=4 8918 B9R1.6 O=C([O-])c1ccncc1 Amb22730239 [0,0,0,0,2,0|1,0,1]=4 8919 B9R1.6 O=I(=O)c1ccccc1 Amb9679129 [0,0,0,0,2,0|1,0,1]=4 8920 B9R1.6 O=S(Cl)c1ccccc1 Amb13881360 [0,0,0,0,2,0|2,0,0]=4 8921 B9R1.6 O=S(O)c1ccccc1 Amb17939345 [0,0,0,0,2,0|1,0,0]=3 8922 B9R1.6 O=S(O)c1cccnc1 Amb24062548 [0,0,0,0,2,0|2,0,0]=4 8923 B9R1.6 O=S(O)c1cccnc1 Amb32674890 [0,0,0,0,2,0|2,0,0]=4 8924 B9R1.6 O=S([O-])c1ccccc1 Amb2684569 [0,0,0,0,2,0|1,0,1]=4 8925 B9R1.6 O=S([O-])c1ccccc1 Amb28536248 [0,0,0,0,2,0|1,0,1]=4 8926 B9R1.6 O=[N+]([O-])c1ccccc1 Amb2793077 [0,0,0,0,2,0|1,0,1]=4 8927 B9R1.6 O=[PH](O)c1ccccc1 Amb3371978 [0,0,0,0,2,0|1,0,0]=3 8928 B9R1.6 O=[Se](O)c1ccccc1 Amb4138617 [0,0,0,0,2,0|1,0,0]=3 8929 B9R1.6 OB(O)c1ccccc1 Amb22587706 [0,0,0,0,2,0|1,0,1]=4 8930 B9R1.6 OB(O)c1ccccc1 Amb6365485 [0,0,0,0,2,0|1,0,1]=4 8931 B9R1.6 OC(=S)c1ccccc1 Amb17942862 [0,0,0,0,2,0|0,1,0]=3 8932 B9R1.6 OC(=S)c1cccnc1 Amb22731908 [0,0,0,0,2,0|1,1,0]=4 8933 B9R1.6 OP(O)c1ccccc1 Amb2684568 [0,0,0,0,2,0|1,0,1]=4 8934 B9R1.6 O[C@@H](Br)c1ccccc1 Amb27233551 [0,0,0,0,2,0|1,0,1]=4 8935 B9R1.6 O[C@@H](Cl)c1ccccc1 Amb28119929 [0,0,0,0,2,0|1,0,1]=4 8936 B9R1.6 S=C(Cl)c1ccccc1 Amb25294215 [0,0,0,0,2,0|1,1,0]=4 8937 B9R1.6 S=C(S)c1ccccc1 Amb22051683 [0,0,0,0,2,0|0,2,0]=4 8938 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,0,0,0,2,0|0,0,2]=4 8939 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [0,0,0,0,2,0|0,0,2]=4 8940 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,0,0,0,2,0|1,0,1]=4 8941 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,0,0,0,2,0|1,0,1]=4 8942 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [0,0,0,0,2,0|1,0,1]=4 8943 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [0,0,0,0,2,0|1,0,1]=4 8944 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [0,0,0,0,2,0|1,0,1]=4 8945 B13R1.337 C=C(C)\C=C\CCc1ccccc1 Amb22546754 [0,0,0,0,0,2|2,0,0]=4 8946 B13R1.337 CC(=N)NC\C=C\c1ccccc1 Amb24366027 [0,0,0,0,0,2|2,0,0]=4 8947 B13R1.337 CC(=O)CC\C=C\c1ccccc1 Amb32952075 [0,0,0,0,0,2|1,0,0]=3 8948 B13R1.337 CC(=O)NC\C=C\c1ccccc1 Amb24452225 [0,0,0,0,0,2|1,0,0]=3 8949 B13R1.337 CC(=O)OC\C=C\c1ccccc1 Amb30640111 [0,0,0,0,0,2|1,0,0]=3 8950 B13R1.337 CC(=O)OC\C=C\c1cccnc1 Amb9804427 [0,0,0,0,0,2|2,0,0]=4 8951 B13R1.337 CC(=O)\C=C/C#Cc1ccccc1 Amb28122355 [0,0,0,0,0,2|1,0,0]=3 8952 B13R1.337 CC(=O)\C=C/NCc1ccccc1 Amb17778144 [0,0,0,0,0,2|1,0,0]=3 8953 B13R1.337 CC(=O)\C=C\C#Cc1ccccc1 Amb17594260 [0,0,0,0,0,2|1,0,0]=3 8954 B13R1.337 CC(=O)\C=C\C=C\c1ccccc1 Amb27605732 [0,0,0,0,0,2|1,0,0]=3 8955 B13R1.337 CC(=O)\C=C\C=C\c1ccccn1 Amb28292575 [0,0,0,0,0,2|2,0,0]=4 8956 B13R1.337 CC(=O)\C=C\C=C\c1cccnc1 Amb27946877 [0,0,0,0,0,2|2,0,0]=4 8957 B13R1.337 CC(=O)\C=C\C=C\c1ccncc1 Amb31161650 [0,0,0,0,0,2|2,0,0]=4 8958 B13R1.337 CC(=O)\C=C\CCc1ccccc1 Amb33083001 [0,0,0,0,0,2|1,0,0]=3 8959 B13R1.337 CC(=O)\C=C\NCc1ccccc1 Amb25303594 [0,0,0,0,0,2|1,0,0]=3 8960 B13R1.337 CC(=O)\C=N\NCc1ccccc1 Amb25767927 [0,0,0,0,0,2|1,0,1]=4 8961 B13R1.337 CC(=O)\C=N\OCc1ccccc1 Amb25735259 [0,0,0,0,0,2|1,0,1]=4 8962 B13R1.337 CC(O)CC\C=C\c1ccccc1 Amb18808901 [0,0,0,0,0,2|1,0,1]=4 8963 B13R1.337 CS(=O)\C=C/NCc1ccccc1 Amb27876609 [0,0,0,0,0,2|2,0,0]=4 8964 B13R1.337 CS(=O)\C=C\C=C\c1ccccc1 Amb2612174 [0,0,0,0,0,2|2,0,0]=4 8965 B13R1.337 CS(=O)\C=C\NCc1ccccc1 Amb27229970 [0,0,0,0,0,2|2,0,0]=4 8966 B13R1.337 C[C@@H](O)C#C\C=C\c1ccccc1 Amb27617823 [0,0,0,0,0,2|1,0,1]=4 8967 B13R1.337 C[C@@H](O)CC\C=C\c1ccccc1 Amb33080791 [0,0,0,0,0,2|1,0,1]=4 8968 B13R1.337 C[C@H](O)CC\C=C\c1ccccc1 Amb33081535 [0,0,0,0,0,2|1,0,1]=4 8969 B13R1.337 N=C(N)NC\C=C/c1ccccc1 Amb27778507 [0,0,0,0,0,2|2,0,0]=4 8970 B13R1.337 N=C(N)SC\C=C/c1ccccc1 Amb23556552 [0,0,0,0,0,2|2,0,0]=4 8971 B13R1.337 NC(=O)NC\C=C\c1ccccc1 Amb24407866 [0,0,0,0,0,2|1,0,0]=3 8972 B13R1.337 NC(=O)N\N=C\Cc1ccccc1 Amb17673737 [0,0,0,0,0,2|1,0,1]=4 8973 B13R1.337 NC(=O)\C=C/C=C/c1cccnc1 Amb27760021 [0,0,0,0,0,2|2,0,0]=4 8974 B13R1.337 NC(=O)\C=C\C#Cc1ccccc1 Amb27843452 [0,0,0,0,0,2|1,0,0]=3 8975 B13R1.337 NC(=O)\C=C\C=C\c1ccccc1 Amb27204218 [0,0,0,0,0,2|1,0,0]=3 8976 B13R1.337 O=C(Cl)\C=C\C=C\c1ccccc1 Amb17143115 [0,0,0,0,0,2|1,0,0]=3 8977 B13R1.337 O=C(O)C#CC#Cc1ccccc1 Amb27231726 [0,0,0,0,0,2|0,0,2]=4 8978 B13R1.337 O=C(O)C#CCCc1ccccc1 Amb25674935 [0,0,0,0,0,2|0,0,2]=4 8979 B13R1.337 O=C(O)C#CCOc1ccccc1 Amb25897592 [0,0,0,0,0,2|0,0,2]=4 8980 B13R1.337 O=C(O)CC#CCc1ccccc1 Amb28325663 [0,0,0,0,0,2|0,0,2]=4 8981 B13R1.337 O=C(O)CC=C=Cc1ccccc1 Amb27658995 [0,0,0,0,0,2|0,0,0]=2 8982 B13R1.337 O=C(O)CCC#Cc1ccccc1 Amb26874532 [0,0,0,0,0,2|0,0,2]=4 8983 B13R1.337 O=C(O)CCCCc1ccccc1 Amb3940028 [0,0,0,0,0,2|0,0,2]=4 8984 B13R1.337 O=C(O)CCCNc1ccccc1 Amb10189157 [0,0,0,0,0,2|0,0,2]=4 8985 B13R1.337 O=C(O)CCCNc1ccccc1 Amb6260555 [0,0,0,0,0,2|0,0,2]=4 8986 B13R1.337 O=C(O)CCCOc1ccccc1 Amb1233059 [0,0,0,0,0,2|0,0,2]=4 8987 B13R1.337 O=C(O)CCCSc1ccccc1 Amb1105630 [0,0,0,0,0,2|0,0,2]=4 8988 B13R1.337 O=C(O)CCNCc1ccccc1 Amb1207218 [0,0,0,0,0,2|0,0,2]=4 8989 B13R1.337 O=C(O)CCNCc1ccccc1 Amb6892614 [0,0,0,0,0,2|0,0,2]=4 8990 B13R1.337 O=C(O)CCOCc1ccccc1 Amb6281734 [0,0,0,0,0,2|0,0,2]=4 8991 B13R1.337 O=C(O)CCSCc1ccccc1 Amb1132307 [0,0,0,0,0,2|0,0,2]=4 8992 B13R1.337 O=C(O)CC\C=C\c1ccccc1 Amb17233184 [0,0,0,0,0,2|0,0,0]=2 8993 B13R1.337 O=C(O)CNCCc1ccccc1 Amb19373721 [0,0,0,0,0,2|0,0,2]=4 8994 B13R1.337 O=C(O)CNCCc1ccccc1 Amb7766521 [0,0,0,0,0,2|0,0,2]=4 8995 B13R1.337 O=C(O)COCCc1ccccc1 Amb7790056 [0,0,0,0,0,2|0,0,2]=4 8996 B13R1.337 O=C(O)CSCCc1ccccc1 Amb1244212 [0,0,0,0,0,2|0,0,2]=4 8997 B13R1.337 O=C(O)CS\C=C\c1ccccc1 Amb2725413 [0,0,0,0,0,2|0,0,0]=2 8998 B13R1.337 O=C(O)C\C=C\Cc1ccccc1 Amb32667086 [0,0,0,0,0,2|0,0,0]=2 8999 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 Amb28068456 [0,0,0,0,0,2|0,0,0]=2 9000 B13R1.337 O=C(O)\C=C\C=C\c1ccccn1 Amb26846307 [0,0,0,0,0,2|1,0,0]=3 9001 B13R1.337 O=C(O)\C=C\C=C\c1cccnc1 Amb27665637 [0,0,0,0,0,2|1,0,0]=3 9002 B13R1.337 O=C(O)\C=C\C=C\c1ccncc1 Amb28136500 [0,0,0,0,0,2|1,0,0]=3 9003 B13R1.337 O=C(O)\C=C\C=C\c1ccncn1 Amb27617805 [0,0,0,0,0,2|2,0,0]=4 9004 B13R1.337 O=C(O)\C=C\C=C\c1cnccn1 Amb35600942 [0,0,0,0,0,2|2,0,0]=4 9005 B13R1.337 O=C(O)\C=C\CCc1ccccc1 Amb17477496 [0,0,0,0,0,2|0,0,0]=2 9006 B13R1.337 O=C(O)\C=C\CNc1ccccc1 Amb28041741 [0,0,0,0,0,2|0,0,0]=2 9007 B13R1.337 O=C(O)\C=C\COc1ccccc1 Amb32652756 [0,0,0,0,0,2|0,0,0]=2 9008 B13R1.337 O=C(O)\C=C\NCc1ccccc1 Amb28288822 [0,0,0,0,0,2|0,0,0]=2 9009 B13R1.337 O=C(O)\C=C\NCc1cnccn1 Amb35638878 [0,0,0,0,0,2|2,0,0]=4 9010 B13R1.337 O=C(O)\C=C\OCc1ccccc1 Amb26376781 [0,0,0,0,0,2|0,0,0]=2 9011 B13R1.337 O=C(O)\C=N\OCc1ccccc1 Amb10976080 [0,0,0,0,0,2|0,0,1]=3 9012 B13R1.337 O=[N+]([O-])\C=C\C=C\c1ccccc1 Amb33080797 [0,0,0,0,0,2|1,0,1]=4 9013 B13R1.337 O=[N+]([O-])\C=C\CCc1ccccc1 Amb32954288 [0,0,0,0,0,2|1,0,1]=4 9014 B13R1.337 OB(O)\C=C\C=C\c1ccccc1 Amb27762695 [0,0,0,0,0,2|1,0,1]=4 9015 B13R1.1988 NC(=O)N\N=C\C1=CC=CCC=C1 Amb28366545 [0,0,0,0,0,2|2,0,0]=4