0 B9R1.35 C=C(C)c1cc(C)cs1 Amb28436270 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 C=C(C)c1ccn(C)c1 Amb22229334 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 C=C(C)c1csc(Br)c1 Amb27797515 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 C=C(C)c1csc(N)n1 Amb27655096 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 C=C(C)n1cnc(C)c1 Amb27445735 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CC(=O)NO1 Amb27636423 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=CSC(=S)N1 Amb25227392 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC(=O)C1C=C(C)CC1 Amb28137737 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 CC(=O)c1cc(Br)cs1 Amb1946493 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)c1cc(Br)no1 Amb18190978 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(=O)c1cc(C)cs1 Amb3941162 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC(=O)c1cc(C)no1 Amb18672024 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC(=O)c1cc(C)ns1 Amb18831719 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC(=O)c1cc(C)on1 Amb21964495 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 CC(=O)c1cc(C)sn1 Amb18831706 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC(=O)c1cc(Cl)cs1 Amb8396574 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC(=O)c1cc(Cl)on1 Amb27777474 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.35 CC(=O)c1cc(F)cs1 Amb18831508 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC(=O)c1cc(I)cs1 Amb22751276 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(=O)c1cc(N)cs1 Amb18678229 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC(=O)c1cc(N)no1 Amb18832777 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 CC(=O)c1cc(N)on1 Amb27970954 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.35 CC(=O)c1ccc(Br)[se]1 Amb2611508 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CC(=O)c1ccc(Br)s1 Amb1151096 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 CC(=O)c1ccc(C)o1 Amb1154368 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CC(=O)c1ccc(C)s1 Amb1153736 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CC(=O)c1ccc(Cl)s1 Amb1148733 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 CC(=O)c1ccc(F)s1 Amb18831509 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 CC(=O)c1ccc(I)s1 Amb19886673 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 CC(=O)c1ccc(N)s1 Amb17477841 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 CC(=O)c1ccc(O)s1 Amb34135974 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 CC(=O)c1ccc(S)s1 Amb25706073 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 CC(=O)c1ccn(C)c1 Amb3940523 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 CC(=O)c1ccn(C)n1 Amb33544400 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.35 CC(=O)c1cn(C)cn1 Amb23399836 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.35 CC(=O)c1cn(C)nn1 Amb24529113 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.35 CC(=O)c1cnc(Br)o1 Amb26391439 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.35 CC(=O)c1cnc(Br)s1 Amb18176255 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 CC(=O)c1cnc(C)o1 Amb23437343 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 CC(=O)c1cnc(C)s1 Amb19882144 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 CC(=O)c1cnc(Cl)o1 Amb27246755 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.35 CC(=O)c1cnc(Cl)s1 Amb25202568 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 CC(=O)c1cnc(N)o1 Amb17231842 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 CC(=O)c1cnc(N)s1 Amb10605732 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.35 CC(=O)c1cnc(N)s1 Amb19515342 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 CC(=O)c1cnc(N)s1 Amb33465501 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 CC(=O)c1cnc(O)s1 Amb27838546 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.35 CC(=O)c1cnc(S)s1 Amb19882270 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 CC(=O)c1cnn(C)c1 Amb1945443 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.35 CC(=O)c1cnn(C)n1 Amb27187215 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 CC(=O)c1coc(Br)c1 Amb27648127 [0,0,0,0,0,0|2,1,0]=3 54 B9R1.35 CC(=O)c1coc(C)n1 Amb18832850 [0,0,0,0,0,0|2,1,0]=3 55 B9R1.35 CC(=O)c1coc(Cl)c1 Amb26391385 [0,0,0,0,0,0|2,1,0]=3 56 B9R1.35 CC(=O)c1coc(Cl)n1 Amb25070464 [0,0,0,0,0,0|3,1,0]=4 57 B9R1.35 CC(=O)c1csc(Br)c1 Amb10603337 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.35 CC(=O)c1csc(Br)n1 Amb25103826 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.35 CC(=O)c1csc(C)c1 Amb22494674 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.35 CC(=O)c1csc(C)n1 Amb20622917 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.35 CC(=O)c1csc(C)n1 Amb493870 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.35 CC(=O)c1csc(Cl)c1 Amb5719933 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.35 CC(=O)c1csc(Cl)n1 Amb19944607 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.35 CC(=O)c1csc(F)c1 Amb18202409 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.35 CC(=O)c1csc(N)n1 Amb6355913 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.35 CC(=O)c1nc(C)co1 Amb21963773 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.35 CC(=O)c1nc(C)cs1 Amb22347859 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.35 CC(=O)c1nc(C)no1 Amb18138552 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.35 CC(=O)c1nc(C)ns1 Amb18202587 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.35 CC(=O)c1ncc(C)o1 Amb18832862 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.35 CC(=O)c1ncc(C)s1 Amb18831720 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.35 CC(=O)c1nnc(C)o1 Amb22898820 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.35 CC(=O)c1noc(C)n1 Amb22756380 [0,0,0,0,0,0|3,1,0]=4 74 B9R1.35 CC(=O)c1nsc(N)n1 Amb28054655 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.35 CC(=O)n1ccc(N)c1 Amb24482008 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.35 CC(=O)n1cnc(Br)c1 Amb10552467 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.35 CC(=O)n1cnc(C)n1 Amb20248268 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.35 CC(C)c1csc(Br)c1 Amb10600624 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.35 CC(C)c1csc(N)c1 Amb10600625 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.35 CC(C)c1csc(O)c1 Amb20617592 [0,0,0,0,0,0|3,0,1]=4 81 B9R1.35 CC(N)c1csc(Br)c1 Amb25799372 [0,0,0,0,0,0|3,0,1]=4 82 B9R1.35 CC(N)c1csc(Cl)c1 Amb24392835 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.35 CC(N)c1csc(F)c1 Amb27669612 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.35 CC(N)c1csc(N)c1 Amb27481584 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.35 CC(O)c1ccn(C)c1 Amb28122898 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.35 CC(O)c1cnn(C)c1 Amb10067437 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.35 CC(O)c1csc(Br)n1 Amb28285180 [0,0,0,0,0,0|3,0,1]=4 88 B9R1.35 CC(O)c1csc(Cl)c1 Amb23440017 [0,0,0,0,0,0|2,0,1]=3 89 B9R1.35 CC(O)c1csc(O)n1 Amb27835075 [0,0,0,0,0,0|3,0,1]=4 90 B9R1.35 CC(S)c1csc(Cl)c1 Amb26042073 [0,0,0,0,0,0|2,1,1]=4 91 B9R1.35 CC1=CC(=C(C)C)C=C1 Amb24399879 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [0,0,0,0,0,0|2,0,1]=3 93 B9R1.35 CC1=CC(C(=O)O)SC1 Amb10809142 [0,0,0,0,0,0|2,0,1]=3 94 B9R1.35 CC1=CC(C(C)C)=CC1 Amb27764105 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,0,0,0,0,0|2,0,2]=4 96 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,0,0,0,0,0|2,0,2]=4 97 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,0,0,0,0,0|1,1,2]=4 98 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [0,0,0,0,0,0|1,0,2]=3 99 B9R1.35 CC1=NC(C(=O)[O-])CS1 Amb22734629 [0,0,0,0,0,0|1,0,3]=4 100 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [0,0,0,0,0,0|2,0,2]=4 101 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [0,0,0,0,0,0|2,0,2]=4 102 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [0,0,0,0,0,0|2,0,2]=4 103 B9R1.35 CC1=NOC(C(=O)O)C1 Amb7088977 [0,0,0,0,0,0|2,0,2]=4 104 B9R1.35 CC1=NO[C@H](C(=O)O)C1 Amb25189709 [0,0,0,0,0,0|2,0,2]=4 105 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [0,0,0,0,0,0|1,0,2]=3 106 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,0,0,0,0,0|2,0,2]=4 107 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [0,0,0,0,0,0|1,0,2]=3 108 B9R1.35 CC1C=C(C(=O)O)CC1 Amb18642397 [0,0,0,0,0,0|1,0,2]=3 109 B9R1.35 CC1C=CC(C(=O)O)O1 Amb18642586 [0,0,0,0,0,0|2,0,2]=4 110 B9R1.35 CC1CC(C(=O)O)=NO1 Amb25694020 [0,0,0,0,0,0|1,1,2]=4 111 B9R1.35 CC1CC(C(=O)O)SS1 Amb28385584 [0,0,0,0,0,0|1,0,3]=4 112 B9R1.35 CC1NC(C(=O)O)CS1 Amb9718451 [0,0,0,0,0,0|1,0,3]=4 113 B9R1.35 CC1N[C@H](C(=O)O)CS1 Amb16203706 [0,0,0,0,0,0|1,0,3]=4 114 B9R1.35 CN1C=C(C(=O)O)NO1 Amb27793566 [0,0,0,0,0,0|2,1,0]=3 115 B9R1.35 CN1CC(C(=O)O)=CO1 Amb22388521 [0,0,0,0,0,0|1,1,1]=3 116 B9R1.35 C[C@@H](N)c1csc(Br)c1 Amb25287229 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.35 C[C@@H](N)c1csc(Cl)c1 Amb25293826 [0,0,0,0,0,0|3,0,1]=4 118 B9R1.35 C[C@@H](N)c1csc(F)c1 Amb27798392 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.35 C[C@@H](O)c1cnn(C)c1 Amb19374008 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.35 C[C@@H](O)c1csc(Br)c1 Amb33432821 [0,0,0,0,0,0|2,0,1]=3 121 B9R1.35 C[C@@H](O)c1csc(Br)n1 Amb33334920 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.35 C[C@@H](O)c1csc(Cl)c1 Amb25889692 [0,0,0,0,0,0|2,0,1]=3 123 B9R1.35 C[C@@H]1C=C[C@@H](C(=O)O)S1 Amb28347473 [0,0,0,0,0,0|2,0,2]=4 124 B9R1.35 C[C@@H]1O[C@H](C(=O)O)CS1 Amb26951854 [0,0,0,0,0,0|1,0,3]=4 125 B9R1.35 C[C@H](N)c1csc(Br)c1 Amb26974229 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.35 C[C@H](N)c1csc(Cl)c1 Amb26885580 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.35 C[C@H](N)c1csc(O)c1 Amb27838438 [0,0,0,0,0,0|3,0,1]=4 128 B9R1.35 C[C@H](O)c1cnn(C)c1 Amb24474433 [0,0,0,0,0,0|3,0,1]=4 129 B9R1.35 C[C@H](O)c1csc(Br)c1 Amb33432235 [0,0,0,0,0,0|2,0,1]=3 130 B9R1.35 C[C@H](O)c1csc(Br)n1 Amb33334923 [0,0,0,0,0,0|3,0,1]=4 131 B9R1.35 C[C@H](O)c1csc(Cl)c1 Amb25360387 [0,0,0,0,0,0|2,0,1]=3 132 B9R1.35 C[C@H]1N[C@@H](C(=O)O)CS1 Amb28198473 [0,0,0,0,0,0|1,0,3]=4 133 B9R1.35 C[C@H]1O[C@H](C(=O)O)CS1 Amb27252305 [0,0,0,0,0,0|1,0,3]=4 134 B9R1.35 Cc1cc(B(O)O)co1 Amb25147000 [0,0,0,0,0,0|1,1,1]=3 135 B9R1.35 Cc1cc(B(O)O)cs1 Amb24665641 [0,0,0,0,0,0|1,0,1]=2 136 B9R1.35 Cc1cc(B(O)O)no1 Amb26459447 [0,0,0,0,0,0|2,1,1]=4 137 B9R1.35 Cc1cc(B(O)O)on1 Amb25075534 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.35 Cc1cc(B(O)O)sn1 Amb25773945 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.35 Cc1cc(C(=N)N)no1 Amb24698959 [0,0,0,0,0,0|3,1,0]=4 140 B9R1.35 Cc1cc(C(=N)N)on1 Amb33422690 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.35 Cc1cc(C(=N)N)sn1 Amb29849655 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.35 Cc1cc(C(=O)Cl)cs1 Amb16230125 [0,0,0,0,0,0|1,0,0]=1 143 B9R1.35 Cc1cc(C(=O)Cl)no1 Amb2689504 [0,0,0,0,0,0|2,1,0]=3 144 B9R1.35 Cc1cc(C(=O)Cl)on1 Amb33539768 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.35 Cc1cc(C(=O)O)co1 Amb16231454 [0,0,0,0,0,0|0,1,0]=1 146 B9R1.35 Cc1cc(C(=O)O)cs1 Amb6335894 [0,0,0,0,0,0|0,0,0]=0 147 B9R1.35 Cc1cc(C(=O)O)no1 Amb6335305 [0,0,0,0,0,0|1,1,0]=2 148 B9R1.35 Cc1cc(C(=O)O)ns1 Amb18202486 [0,0,0,0,0,0|1,0,0]=1 149 B9R1.35 Cc1cc(C(=O)O)on1 Amb6315792 [0,0,0,0,0,0|2,0,0]=2 150 B9R1.35 Cc1cc(C(=O)O)sn1 Amb33544153 [0,0,0,0,0,0|2,0,0]=2 151 B9R1.35 Cc1cc(C(C)N)cs1 Amb18202675 [0,0,0,0,0,0|2,0,1]=3 152 B9R1.35 Cc1cc(C(C)O)no1 Amb23440963 [0,0,0,0,0,0|2,1,1]=4 153 B9R1.35 Cc1cc(C(C)S)cs1 Amb26449892 [0,0,0,0,0,0|1,1,1]=3 154 B9R1.35 Cc1cc(C(N)=O)co1 Amb23589835 [0,0,0,0,0,0|1,1,0]=2 155 B9R1.35 Cc1cc(C(N)=O)cs1 Amb25700357 [0,0,0,0,0,0|1,0,0]=1 156 B9R1.35 Cc1cc(C(N)=O)no1 Amb4009604 [0,0,0,0,0,0|2,1,0]=3 157 B9R1.35 Cc1cc(C(N)=O)on1 Amb22295917 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.35 Cc1cc(C(N)=S)no1 Amb2726013 [0,0,0,0,0,0|2,2,0]=4 159 B9R1.35 Cc1cc(C(N)=S)on1 Amb32955623 [0,0,0,0,0,0|3,1,0]=4 160 B9R1.35 Cc1cc(S(=O)[O-])cs1 Amb32754735 [0,0,0,0,0,0|1,0,1]=2 161 B9R1.35 Cc1cc(S(=O)[O-])sn1 Amb32754958 [0,0,0,0,0,0|3,0,1]=4 162 B9R1.35 Cc1cc([C@@H](C)O)no1 Amb24340083 [0,0,0,0,0,0|2,1,1]=4 163 B9R1.35 Cc1cc([C@@H](C)O)on1 Amb33327198 [0,0,0,0,0,0|3,0,1]=4 164 B9R1.35 Cc1cc([C@H](C)O)cs1 Amb27212219 [0,0,0,0,0,0|1,0,1]=2 165 B9R1.35 Cc1cc([C@H](C)O)no1 Amb26871855 [0,0,0,0,0,0|2,1,1]=4 166 B9R1.35 Cc1cc([C@H](C)O)on1 Amb24675526 [0,0,0,0,0,0|3,0,1]=4 167 B9R1.35 Cc1cc([N+](=O)[O-])cs1 Amb28052743 [0,0,0,0,0,0|1,0,1]=2 168 B9R1.35 Cc1cc([N+](=O)[O-])sn1 Amb25228855 [0,0,0,0,0,0|3,0,1]=4 169 B9R1.35 Cc1ccc(B(O)O)o1 Amb22586674 [0,0,0,0,0,0|3,0,1]=4 170 B9R1.35 Cc1ccc(B(O)O)o1 Amb2720325 [0,0,0,0,0,0|3,0,1]=4 171 B9R1.35 Cc1ccc(B(O)O)s1 Amb2720300 [0,0,0,0,0,0|3,0,1]=4 172 B9R1.35 Cc1ccc(C(=N)N)o1 Amb21959999 [0,0,0,0,0,0|4,0,0]=4 173 B9R1.35 Cc1ccc(C(=N)N)o1 Amb8834125 [0,0,0,0,0,0|4,0,0]=4 174 B9R1.35 Cc1ccc(C(=N)N)s1 Amb17601556 [0,0,0,0,0,0|4,0,0]=4 175 B9R1.35 Cc1ccc(C(=N)N)s1 Amb8834132 [0,0,0,0,0,0|4,0,0]=4 176 B9R1.35 Cc1ccc(C(=O)Cl)o1 Amb2689440 [0,0,0,0,0,0|3,0,0]=3 177 B9R1.35 Cc1ccc(C(=O)Cl)s1 Amb33528399 [0,0,0,0,0,0|3,0,0]=3 178 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,0,0,0,0,0|2,0,0]=2 179 B9R1.35 Cc1ccc(C(=O)O)s1 Amb1157149 [0,0,0,0,0,0|2,0,0]=2 180 B9R1.35 Cc1ccc(C(C)O)o1 Amb6705773 [0,0,0,0,0,0|3,0,1]=4 181 B9R1.35 Cc1ccc(C(C)O)s1 Amb2237071 [0,0,0,0,0,0|3,0,1]=4 182 B9R1.35 Cc1ccc(C(N)=O)o1 Amb3359879 [0,0,0,0,0,0|3,0,0]=3 183 B9R1.35 Cc1ccc(C(N)=O)s1 Amb8997732 [0,0,0,0,0,0|3,0,0]=3 184 B9R1.35 Cc1ccc(C(N)=S)o1 Amb8834042 [0,0,0,0,0,0|3,1,0]=4 185 B9R1.35 Cc1ccc(C(N)=S)s1 Amb8834046 [0,0,0,0,0,0|3,1,0]=4 186 B9R1.35 Cc1ccc(S(=O)[O-])o1 Amb32754110 [0,0,0,0,0,0|3,0,1]=4 187 B9R1.35 Cc1ccc(S(=O)[O-])s1 Amb24753008 [0,0,0,0,0,0|3,0,1]=4 188 B9R1.35 Cc1ccc(S(C)=O)o1 Amb27230252 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.35 Cc1ccc([C@@H](C)O)o1 Amb13952991 [0,0,0,0,0,0|3,0,1]=4 190 B9R1.35 Cc1ccc([C@@H](C)O)s1 Amb24625882 [0,0,0,0,0,0|3,0,1]=4 191 B9R1.35 Cc1ccc([C@H](C)O)o1 Amb13952992 [0,0,0,0,0,0|3,0,1]=4 192 B9R1.35 Cc1ccc([C@H](C)O)s1 Amb27249678 [0,0,0,0,0,0|3,0,1]=4 193 B9R1.35 Cc1ccc([N+](=O)[O-])o1 Amb4021593 [0,0,0,0,0,0|3,0,1]=4 194 B9R1.35 Cc1ccc([N+](=O)[O-])s1 Amb10574813 [0,0,0,0,0,0|3,0,1]=4 195 B9R1.35 Cc1ccn(C(N)=O)n1 Amb2720537 [0,0,0,0,0,0|4,0,0]=4 196 B9R1.35 Cc1cnc(C(=O)Cl)s1 Amb26455598 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.35 Cc1cnc(C(=O)O)o1 Amb18832708 [0,0,0,0,0,0|3,0,0]=3 198 B9R1.35 Cc1cnc(C(=O)O)s1 Amb8010646 [0,0,0,0,0,0|3,0,0]=3 199 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb24183598 [0,0,0,0,0,0|3,0,1]=4 200 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb32653595 [0,0,0,0,0,0|3,0,1]=4 201 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb33713544 [0,0,0,0,0,0|3,0,1]=4 202 B9R1.35 Cc1cnc(C(=O)[O-])s1 Amb16187163 [0,0,0,0,0,0|3,0,1]=4 203 B9R1.35 Cc1cnc(C(O)=S)s1 Amb27670233 [0,0,0,0,0,0|3,1,0]=4 204 B9R1.35 Cc1coc(B(O)O)c1 Amb10597554 [0,0,0,0,0,0|3,0,1]=4 205 B9R1.35 Cc1coc(C(=O)O)c1 Amb18642368 [0,0,0,0,0,0|2,0,0]=2 206 B9R1.35 Cc1coc(C(=O)O)n1 Amb18832706 [0,0,0,0,0,0|3,0,0]=3 207 B9R1.35 Cc1coc(C(=O)[O-])n1 Amb30585199 [0,0,0,0,0,0|3,0,1]=4 208 B9R1.35 Cc1coc(C(C)O)c1 Amb28049143 [0,0,0,0,0,0|3,0,1]=4 209 B9R1.35 Cc1coc([N+](=O)[O-])c1 Amb27230229 [0,0,0,0,0,0|3,0,1]=4 210 B9R1.35 Cc1csc(B(O)O)c1 Amb2456033 [0,0,0,0,0,0|3,0,1]=4 211 B9R1.35 Cc1csc(C(=N)N)c1 Amb28120709 [0,0,0,0,0,0|4,0,0]=4 212 B9R1.35 Cc1csc(C(=O)Cl)c1 Amb2691601 [0,0,0,0,0,0|3,0,0]=3 213 B9R1.35 Cc1csc(C(=O)O)c1 Amb2691600 [0,0,0,0,0,0|2,0,0]=2 214 B9R1.35 Cc1csc(C(=O)O)n1 Amb5759010 [0,0,0,0,0,0|3,0,0]=3 215 B9R1.35 Cc1csc(C(=O)[O-])n1 Amb9902127 [0,0,0,0,0,0|3,0,1]=4 216 B9R1.35 Cc1csc(C(N)=O)c1 Amb2691602 [0,0,0,0,0,0|3,0,0]=3 217 B9R1.35 Cc1csc(C(N)=S)c1 Amb33312047 [0,0,0,0,0,0|3,1,0]=4 218 B9R1.35 Cc1csc(S(=O)[O-])c1 Amb32755389 [0,0,0,0,0,0|3,0,1]=4 219 B9R1.35 Cc1csc([C@@H](C)O)c1 Amb33427968 [0,0,0,0,0,0|3,0,1]=4 220 B9R1.35 Cc1csc([C@H](C)O)c1 Amb33427600 [0,0,0,0,0,0|3,0,1]=4 221 B9R1.35 Cc1csc([N+](=O)[O-])c1 Amb24524204 [0,0,0,0,0,0|3,0,1]=4 222 B9R1.35 Cc1nc(B(O)O)cs1 Amb24365504 [0,0,0,0,0,0|2,0,1]=3 223 B9R1.35 Cc1nc(C(=N)N)cs1 Amb22755877 [0,0,0,0,0,0|3,0,0]=3 224 B9R1.35 Cc1nc(C(=N)N)cs1 Amb2725990 [0,0,0,0,0,0|3,0,0]=3 225 B9R1.35 Cc1nc(C(=O)Cl)co1 Amb22736505 [0,0,0,0,0,0|2,1,0]=3 226 B9R1.35 Cc1nc(C(=O)Cl)cs1 Amb6572009 [0,0,0,0,0,0|2,0,0]=2 227 B9R1.35 Cc1nc(C(=O)Cl)cs1 Amb8630401 [0,0,0,0,0,0|2,0,0]=2 228 B9R1.35 Cc1nc(C(=O)Cl)no1 Amb25241966 [0,0,0,0,0,0|3,1,0]=4 229 B9R1.35 Cc1nc(C(=O)O)co1 Amb6307241 [0,0,0,0,0,0|1,1,0]=2 230 B9R1.35 Cc1nc(C(=O)O)cs1 Amb22587710 [0,0,0,0,0,0|1,0,0]=1 231 B9R1.35 Cc1nc(C(=O)O)cs1 Amb2723085 [0,0,0,0,0,0|1,0,0]=1 232 B9R1.35 Cc1nc(C(=O)O)cs1 Amb33446967 [0,0,0,0,0,0|1,0,0]=1 233 B9R1.35 Cc1nc(C(=O)O)no1 Amb8010643 [0,0,0,0,0,0|2,1,0]=3 234 B9R1.35 Cc1nc(C(=O)[O-])no1 Amb21963020 [0,0,0,0,0,0|2,1,1]=4 235 B9R1.35 Cc1nc(C(=O)[O-])no1 Amb32653555 [0,0,0,0,0,0|2,1,1]=4 236 B9R1.35 Cc1nc(C(=O)[O-])no1 Amb32680311 [0,0,0,0,0,0|2,1,1]=4 237 B9R1.35 Cc1nc(C(C)C)cs1 Amb27882723 [0,0,0,0,0,0|3,0,1]=4 238 B9R1.35 Cc1nc(C(C)N)cs1 Amb3941293 [0,0,0,0,0,0|3,0,1]=4 239 B9R1.35 Cc1nc(C(C)N)cs1 Amb8503470 [0,0,0,0,0,0|3,0,1]=4 240 B9R1.35 Cc1nc(C(C)O)co1 Amb25954103 [0,0,0,0,0,0|2,1,1]=4 241 B9R1.35 Cc1nc(C(C)O)cs1 Amb25307878 [0,0,0,0,0,0|2,0,1]=3 242 B9R1.35 Cc1nc(C(C)S)cs1 Amb28366018 [0,0,0,0,0,0|2,1,1]=4 243 B9R1.35 Cc1nc(C(Cl)Cl)cs1 Amb24373238 [0,0,0,0,0,0|3,0,1]=4 244 B9R1.35 Cc1nc(C(F)F)cs1 Amb26972719 [0,0,0,0,0,0|3,0,1]=4 245 B9R1.35 Cc1nc(C(N)=O)co1 Amb8483752 [0,0,0,0,0,0|2,1,0]=3 246 B9R1.35 Cc1nc(C(N)=O)cs1 Amb4477412 [0,0,0,0,0,0|2,0,0]=2 247 B9R1.35 Cc1nc(C(N)=O)no1 Amb27167521 [0,0,0,0,0,0|3,1,0]=4 248 B9R1.35 Cc1nc(C(N)=S)co1 Amb13890529 [0,0,0,0,0,0|2,2,0]=4 249 B9R1.35 Cc1nc(C(N)=S)cs1 Amb2725976 [0,0,0,0,0,0|2,1,0]=3 250 B9R1.35 Cc1nc(S(=O)[O-])cs1 Amb33189110 [0,0,0,0,0,0|2,0,1]=3 251 B9R1.35 Cc1nc([C@@H](C)N)cs1 Amb26878850 [0,0,0,0,0,0|3,0,1]=4 252 B9R1.35 Cc1nc([C@@H](C)O)cs1 Amb26407509 [0,0,0,0,0,0|2,0,1]=3 253 B9R1.35 Cc1nc([C@H](C)N)cs1 Amb28049040 [0,0,0,0,0,0|3,0,1]=4 254 B9R1.35 Cc1nc([C@H](C)N)cs1 Amb32693409 [0,0,0,0,0,0|3,0,1]=4 255 B9R1.35 Cc1nc([C@H](C)O)cs1 Amb24747372 [0,0,0,0,0,0|2,0,1]=3 256 B9R1.35 Cc1nc([N+](=O)[O-])cs1 Amb27222487 [0,0,0,0,0,0|2,0,1]=3 257 B9R1.35 Cc1ncc(B(O)O)o1 Amb27170453 [0,0,0,0,0,0|3,0,1]=4 258 B9R1.35 Cc1ncc(B(O)O)s1 Amb24313013 [0,0,0,0,0,0|3,0,1]=4 259 B9R1.35 Cc1ncc(C(=N)N)s1 Amb18917881 [0,0,0,0,0,0|4,0,0]=4 260 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,0,0,0,0,0|2,0,0]=2 261 B9R1.35 Cc1ncc(C(=O)O)s1 Amb8630402 [0,0,0,0,0,0|2,0,0]=2 262 B9R1.35 Cc1ncc(C(N)=O)s1 Amb13952295 [0,0,0,0,0,0|3,0,0]=3 263 B9R1.35 Cc1ncc(C(N)=S)s1 Amb18917883 [0,0,0,0,0,0|3,1,0]=4 264 B9R1.35 Cc1ncc(S(=O)[O-])o1 Amb32755341 [0,0,0,0,0,0|3,0,1]=4 265 B9R1.35 Cc1ncc(S(=O)[O-])s1 Amb26551672 [0,0,0,0,0,0|3,0,1]=4 266 B9R1.35 Cc1ncc([C@@H](C)O)s1 Amb33143449 [0,0,0,0,0,0|3,0,1]=4 267 B9R1.35 Cc1ncc([C@H](C)O)s1 Amb33142959 [0,0,0,0,0,0|3,0,1]=4 268 B9R1.35 Cc1ncc([N+](=O)[O-])s1 Amb23403568 [0,0,0,0,0,0|3,0,1]=4 269 B9R1.35 Cc1nnc(C(=O)Cl)o1 Amb22169651 [0,0,0,0,0,0|4,0,0]=4 270 B9R1.35 Cc1nnc(C(=O)O)o1 Amb3941251 [0,0,0,0,0,0|3,0,0]=3 271 B9R1.35 Cc1nnc(C(=O)O)s1 Amb22234842 [0,0,0,0,0,0|3,0,0]=3 272 B9R1.35 Cc1nnc(C(=O)[O-])o1 Amb17617582 [0,0,0,0,0,0|3,0,1]=4 273 B9R1.35 Cc1nnc(C(=O)[O-])o1 Amb21937025 [0,0,0,0,0,0|3,0,1]=4 274 B9R1.35 Cc1nnc(C(=O)[O-])s1 Amb23439055 [0,0,0,0,0,0|3,0,1]=4 275 B9R1.35 Cc1nnc(C(=O)[O-])s1 Amb28934955 [0,0,0,0,0,0|3,0,1]=4 276 B9R1.35 Cc1nnc(C(N)=O)o1 Amb27193971 [0,0,0,0,0,0|4,0,0]=4 277 B9R1.35 Cc1noc(C(=O)O)n1 Amb18687563 [0,0,0,0,0,0|3,0,0]=3 278 B9R1.35 Cc1noc(C(=O)[O-])n1 Amb21963031 [0,0,0,0,0,0|3,0,1]=4 279 B9R1.35 Cc1noc(C(=O)[O-])n1 Amb33334619 [0,0,0,0,0,0|3,0,1]=4 280 B9R1.35 Cc1nsc(C(=O)O)n1 Amb18831516 [0,0,0,0,0,0|3,0,0]=3 281 B9R1.35 Cc1nsc(C(=O)[O-])n1 Amb32757544 [0,0,0,0,0,0|3,0,1]=4 282 B9R1.35 Cc1nsc(C(=O)[O-])n1 Amb34913028 [0,0,0,0,0,0|3,0,1]=4 283 B9R1.35 Cc1nsc(C(N)=O)n1 Amb22702907 [0,0,0,0,0,0|4,0,0]=4 284 B9R1.35 Cn1cc(B(O)O)cn1 Amb10976088 [0,0,0,0,0,0|3,0,1]=4 285 B9R1.35 Cn1cc(B(O)O)cn1 Amb33528875 [0,0,0,0,0,0|3,0,1]=4 286 B9R1.35 Cn1cc(C(=N)N)cn1 Amb17592575 [0,0,0,0,0,0|4,0,0]=4 287 B9R1.35 Cn1cc(C(=N)N)cn1 Amb8834134 [0,0,0,0,0,0|4,0,0]=4 288 B9R1.35 Cn1cc(C(=O)Cl)cn1 Amb33528384 [0,0,0,0,0,0|3,0,0]=3 289 B9R1.35 Cn1cc(C(=O)O)cn1 Amb1099256 [0,0,0,0,0,0|2,0,0]=2 290 B9R1.35 Cn1cc(C(=O)O)nn1 Amb8011521 [0,0,0,0,0,0|3,0,0]=3 291 B9R1.35 Cn1cc(C(N)=O)cn1 Amb8858553 [0,0,0,0,0,0|3,0,0]=3 292 B9R1.35 Cn1cc(C(N)=O)nn1 Amb24410614 [0,0,0,0,0,0|4,0,0]=4 293 B9R1.35 Cn1cc(C(N)=S)cn1 Amb8834048 [0,0,0,0,0,0|3,1,0]=4 294 B9R1.35 Cn1cc(N(=O)=O)cn1 Amb20619097 [0,0,0,0,0,0|3,0,1]=4 295 B9R1.35 Cn1cc(S(=O)Cl)cn1 Amb27227292 [0,0,0,0,0,0|4,0,0]=4 296 B9R1.35 Cn1cc(S(=O)[O-])cn1 Amb25249014 [0,0,0,0,0,0|3,0,1]=4 297 B9R1.35 Cn1cc(S(C)=O)cn1 Amb35752250 [0,0,0,0,0,0|4,0,0]=4 298 B9R1.35 Cn1cc([N+](=O)[O-])cn1 Amb1933824 [0,0,0,0,0,0|3,0,1]=4 299 B9R1.35 Cn1ccc(B(O)O)c1 Amb26873869 [0,0,0,0,0,0|3,0,1]=4 300 B9R1.35 Cn1ccc(C(=N)N)c1 Amb18893400 [0,0,0,0,0,0|4,0,0]=4 301 B9R1.35 Cn1ccc(C(=O)Cl)n1 Amb2723918 [0,0,0,0,0,0|4,0,0]=4 302 B9R1.35 Cn1ccc(C(=O)O)c1 Amb10603441 [0,0,0,0,0,0|2,0,0]=2 303 B9R1.35 Cn1ccc(C(=O)O)n1 Amb33544330 [0,0,0,0,0,0|3,0,0]=3 304 B9R1.35 Cn1ccc(C(N)=O)c1 Amb18243390 [0,0,0,0,0,0|3,0,0]=3 305 B9R1.35 Cn1ccc(C(N)=O)n1 Amb6572626 [0,0,0,0,0,0|4,0,0]=4 306 B9R1.35 Cn1ccc(S(=O)O)c1 Amb18222529 [0,0,0,0,0,0|3,0,0]=3 307 B9R1.35 Cn1ccc([N+](=O)[O-])c1 Amb1085927 [0,0,0,0,0,0|3,0,1]=4 308 B9R1.35 Cn1cnc(C(=O)O)c1 Amb33545050 [0,0,0,0,0,0|3,0,0]=3 309 B9R1.35 Cn1cnc(C(=O)O)n1 Amb33545103 [0,0,0,0,0,0|4,0,0]=4 310 B9R1.35 Cn1cnc(C(N)=O)c1 Amb9677665 [0,0,0,0,0,0|4,0,0]=4 311 B9R1.35 Cn1cnc(S(=O)O)c1 Amb26426463 [0,0,0,0,0,0|4,0,0]=4 312 B9R1.35 Cn1ncc(C(=O)O)n1 Amb18222482 [0,0,0,0,0,0|3,0,0]=3 313 B9R1.35 Cn1ncc(C(N)=O)n1 Amb27874722 [0,0,0,0,0,0|4,0,0]=4 314 B9R1.35 Cn1nnc(C(=O)O)n1 Amb33544331 [0,0,0,0,0,0|4,0,0]=4 315 B9R1.35 FC(F)c1csc(Br)c1 Amb22735684 [0,0,0,0,0,0|3,0,1]=4 316 B9R1.35 N=C(N)c1csc(Br)c1 Amb24333054 [0,0,0,0,0,0|3,0,0]=3 317 B9R1.35 N=C(N)c1csc(Br)n1 Amb33335867 [0,0,0,0,0,0|4,0,0]=4 318 B9R1.35 NC(=O)C1=CC(=S)SS1 Amb27862499 [0,0,0,0,0,0|3,0,0]=3 319 B9R1.35 NC(=O)C1=CNC(=O)C1 Amb27638843 [0,0,0,0,0,0|3,0,1]=4 320 B9R1.35 NC(=O)C1=CNC(=S)N1 Amb25992382 [0,0,0,0,0,0|4,0,0]=4 321 B9R1.35 NC(=O)C1=CSC(=S)S1 Amb28246404 [0,0,0,0,0,0|3,0,0]=3 322 B9R1.35 NC(=O)c1cc(Br)co1 Amb22044254 [0,0,0,0,0,0|4,0,0]=4 323 B9R1.35 NC(=O)c1cc(Br)cs1 Amb8089669 [0,0,0,0,0,0|4,0,0]=4 324 B9R1.35 NC(=O)c1cc(Cl)no1 Amb25887411 [0,0,0,0,0,0|4,0,0]=4 325 B9R1.35 NC(=O)c1cc(N)cs1 Amb26967551 [0,0,0,0,0,0|4,0,0]=4 326 B9R1.35 NC(=O)c1cc(N)on1 Amb25858665 [0,0,0,0,0,0|3,1,0]=4 327 B9R1.35 NC(=O)c1cc(O)cs1 Amb26512603 [0,0,0,0,0,0|4,0,0]=4 328 B9R1.35 NC(=O)c1cc(O)no1 Amb22495931 [0,0,0,0,0,0|4,0,0]=4 329 B9R1.35 NC(=O)c1ccc(Br)o1 Amb8335806 [0,0,0,0,0,0|4,0,0]=4 330 B9R1.35 NC(=O)c1ccc(Br)s1 Amb6491031 [0,0,0,0,0,0|4,0,0]=4 331 B9R1.35 NC(=O)c1ccc(Cl)o1 Amb27203205 [0,0,0,0,0,0|4,0,0]=4 332 B9R1.35 NC(=O)c1ccc(Cl)s1 Amb1948780 [0,0,0,0,0,0|4,0,0]=4 333 B9R1.35 NC(=O)c1ccc(F)s1 Amb23449713 [0,0,0,0,0,0|4,0,0]=4 334 B9R1.35 NC(=O)c1ccc(I)o1 Amb780127 [0,0,0,0,0,0|4,0,0]=4 335 B9R1.35 NC(=O)c1ccc(I)s1 Amb27792049 [0,0,0,0,0,0|4,0,0]=4 336 B9R1.35 NC(=O)c1ccc(N)s1 Amb18831646 [0,0,0,0,0,0|4,0,0]=4 337 B9R1.35 NC(=O)c1cnc(Br)s1 Amb19958304 [0,0,0,0,0,0|4,0,0]=4 338 B9R1.35 NC(=O)c1cnc(N)o1 Amb23400984 [0,0,0,0,0,0|4,0,0]=4 339 B9R1.35 NC(=O)c1cnc(N)s1 Amb477913 [0,0,0,0,0,0|4,0,0]=4 340 B9R1.35 NC(=O)c1coc(Br)c1 Amb20626410 [0,0,0,0,0,0|2,1,0]=3 341 B9R1.35 NC(=O)c1coc(Br)n1 Amb22490827 [0,0,0,0,0,0|3,1,0]=4 342 B9R1.35 NC(=O)c1coc(N)n1 Amb24383446 [0,0,0,0,0,0|3,1,0]=4 343 B9R1.35 NC(=O)c1csc(Br)c1 Amb8999089 [0,0,0,0,0,0|2,0,0]=2 344 B9R1.35 NC(=O)c1csc(Br)n1 Amb10602040 [0,0,0,0,0,0|3,0,0]=3 345 B9R1.35 NC(=O)c1csc(Cl)c1 Amb8439394 [0,0,0,0,0,0|2,0,0]=2 346 B9R1.35 NC(=O)c1csc(Cl)n1 Amb10608523 [0,0,0,0,0,0|3,0,0]=3 347 B9R1.35 NC(=O)c1csc(F)n1 Amb27860181 [0,0,0,0,0,0|3,0,0]=3 348 B9R1.35 NC(=O)c1csc(I)c1 Amb20643996 [0,0,0,0,0,0|2,0,0]=2 349 B9R1.35 NC(=O)c1csc(I)n1 Amb25237542 [0,0,0,0,0,0|3,0,0]=3 350 B9R1.35 NC(=O)c1csc(N)c1 Amb24744487 [0,0,0,0,0,0|2,0,0]=2 351 B9R1.35 NC(=O)c1csc(N)n1 Amb7173178 [0,0,0,0,0,0|3,0,0]=3 352 B9R1.35 NC(=S)c1csc(Br)c1 Amb27851381 [0,0,0,0,0,0|2,1,0]=3 353 B9R1.35 NC(=S)c1csc(Br)n1 Amb24061164 [0,0,0,0,0,0|3,1,0]=4 354 B9R1.35 NC(=S)c1csc(Cl)c1 Amb26516018 [0,0,0,0,0,0|2,1,0]=3 355 B9R1.35 NC1=NC(C(=O)O)CS1 Amb6566424 [0,0,0,0,0,0|2,0,2]=4 356 B9R1.35 NC1=N[C@H](C(=O)O)CS1 Amb27976059 [0,0,0,0,0,0|2,0,2]=4 357 B9R1.35 NC1C=C(C(=O)O)CC1 Amb18642496 [0,0,0,0,0,0|2,0,2]=4 358 B9R1.35 NC1CC=C(C(=O)O)C1 Amb18642495 [0,0,0,0,0,0|2,0,2]=4 359 B9R1.35 NC1CC=C(C(=O)O)C1 Amb32667606 [0,0,0,0,0,0|2,0,2]=4 360 B9R1.35 NN1C=C(C(=O)O)CS1 Amb24565962 [0,0,0,0,0,0|2,0,1]=3 361 B9R1.35 N[C@@H]1CC=C(C(=O)O)C1 Amb25824589 [0,0,0,0,0,0|2,0,2]=4 362 B9R1.35 N[C@H]1CC=C(C(=O)O)C1 Amb25143919 [0,0,0,0,0,0|2,0,2]=4 363 B9R1.35 Nc1cc(C(=O)O)co1 Amb27771371 [0,0,0,0,0,0|1,1,0]=2 364 B9R1.35 Nc1cc(C(=O)O)cs1 Amb18280928 [0,0,0,0,0,0|1,0,0]=1 365 B9R1.35 Nc1cc(C(=O)O)cs1 Amb32658032 [0,0,0,0,0,0|1,0,0]=1 366 B9R1.35 Nc1cc(C(=O)O)no1 Amb18832652 [0,0,0,0,0,0|2,1,0]=3 367 B9R1.35 Nc1cc(C(=O)O)ns1 Amb27398352 [0,0,0,0,0,0|2,0,0]=2 368 B9R1.35 Nc1cc(C(=O)O)on1 Amb18832657 [0,0,0,0,0,0|3,0,0]=3 369 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,0,0,0,0,0|3,0,0]=3 370 B9R1.35 Nc1ccc(C(=O)O)s1 Amb18831593 [0,0,0,0,0,0|3,0,0]=3 371 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22235290 [0,0,0,0,0,0|4,0,0]=4 372 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22899439 [0,0,0,0,0,0|4,0,0]=4 373 B9R1.35 Nc1csc(C(=O)O)c1 Amb10602581 [0,0,0,0,0,0|3,0,0]=3 374 B9R1.35 Nc1csc(C(=O)O)c1 Amb18124637 [0,0,0,0,0,0|3,0,0]=3 375 B9R1.35 Nc1csc(C(=O)O)n1 Amb25978066 [0,0,0,0,0,0|4,0,0]=4 376 B9R1.35 Nc1nc(B(O)O)cs1 Amb25918884 [0,0,0,0,0,0|3,0,1]=4 377 B9R1.35 Nc1nc(C(=O)O)co1 Amb10879778 [0,0,0,0,0,0|2,1,0]=3 378 B9R1.35 Nc1nc(C(=O)O)cs1 Amb10067797 [0,0,0,0,0,0|2,0,0]=2 379 B9R1.35 Nc1nc(C(=O)O)cs1 Amb33528356 [0,0,0,0,0,0|2,0,0]=2 380 B9R1.35 Nc1nc(C(=O)O)ns1 Amb27590427 [0,0,0,0,0,0|3,0,0]=3 381 B9R1.35 Nc1nc(C(=O)[O-])cs1 Amb33512918 [0,0,0,0,0,0|2,0,1]=3 382 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,0,0,0,0,0|3,0,0]=3 383 B9R1.35 Nc1ncc(C(=O)O)s1 Amb7172637 [0,0,0,0,0,0|3,0,0]=3 384 B9R1.35 Nc1nnc(C(=O)O)o1 Amb18832581 [0,0,0,0,0,0|4,0,0]=4 385 B9R1.35 Nc1nnc(C(=O)O)s1 Amb22275932 [0,0,0,0,0,0|4,0,0]=4 386 B9R1.35 Nc1noc(C(=O)O)n1 Amb25911736 [0,0,0,0,0,0|4,0,0]=4 387 B9R1.35 Nn1ccc(C(=O)O)n1 Amb18642484 [0,0,0,0,0,0|4,0,0]=4 388 B9R1.35 O=C(Br)c1ccc(Br)o1 Amb17939056 [0,0,0,0,0,0|4,0,0]=4 389 B9R1.35 O=C(Br)c1ccc(Br)s1 Amb27438585 [0,0,0,0,0,0|4,0,0]=4 390 B9R1.35 O=C(Br)c1ccc(Cl)s1 Amb28286939 [0,0,0,0,0,0|4,0,0]=4 391 B9R1.35 O=C(Cl)c1cc(Br)cs1 Amb2723433 [0,0,0,0,0,0|4,0,0]=4 392 B9R1.35 O=C(Cl)c1cc(Cl)cs1 Amb28254474 [0,0,0,0,0,0|4,0,0]=4 393 B9R1.35 O=C(Cl)c1cc(Cl)no1 Amb26936349 [0,0,0,0,0,0|4,0,0]=4 394 B9R1.35 O=C(Cl)c1ccc(Br)o1 Amb2685261 [0,0,0,0,0,0|4,0,0]=4 395 B9R1.35 O=C(Cl)c1ccc(Br)s1 Amb6743401 [0,0,0,0,0,0|4,0,0]=4 396 B9R1.35 O=C(Cl)c1ccc(Cl)o1 Amb27953619 [0,0,0,0,0,0|4,0,0]=4 397 B9R1.35 O=C(Cl)c1ccc(Cl)s1 Amb7173092 [0,0,0,0,0,0|4,0,0]=4 398 B9R1.35 O=C(Cl)c1ccc(F)o1 Amb28196417 [0,0,0,0,0,0|4,0,0]=4 399 B9R1.35 O=C(Cl)c1ccc(F)s1 Amb23449712 [0,0,0,0,0,0|4,0,0]=4 400 B9R1.35 O=C(Cl)c1ccc(I)o1 Amb27438212 [0,0,0,0,0,0|4,0,0]=4 401 B9R1.35 O=C(Cl)c1cnc(Br)s1 Amb25208694 [0,0,0,0,0,0|4,0,0]=4 402 B9R1.35 O=C(Cl)c1cnc(Cl)o1 Amb26424767 [0,0,0,0,0,0|4,0,0]=4 403 B9R1.35 O=C(Cl)c1cnc(Cl)s1 Amb6572318 [0,0,0,0,0,0|4,0,0]=4 404 B9R1.35 O=C(Cl)c1csc(Br)c1 Amb27221187 [0,0,0,0,0,0|2,0,0]=2 405 B9R1.35 O=C(Cl)c1csc(Br)n1 Amb24478753 [0,0,0,0,0,0|3,0,0]=3 406 B9R1.35 O=C(Cl)c1csc(Cl)n1 Amb22551861 [0,0,0,0,0,0|3,0,0]=3 407 B9R1.35 O=C(F)c1ccc(Br)o1 Amb28254044 [0,0,0,0,0,0|4,0,0]=4 408 B9R1.35 O=C(O)C1=CC(Br)CC1 Amb27776760 [0,0,0,0,0,0|2,0,2]=4 409 B9R1.35 O=C(O)C1=CC(O)CC1 Amb27619747 [0,0,0,0,0,0|2,0,2]=4 410 B9R1.35 O=C(O)C1=CNC(=S)N1 Amb22586764 [0,0,0,0,0,0|3,0,0]=3 411 B9R1.35 O=C(O)C1=C[C@@H](O)CC1 Amb27412374 [0,0,0,0,0,0|2,0,2]=4 412 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [0,0,0,0,0,0|2,0,2]=4 413 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [0,0,0,0,0,0|2,0,2]=4 414 B9R1.35 O=C(O)c1c[n+]([O-])on1 Amb22490830 [0,0,0,0,0,0|3,1,0]=4 415 B9R1.35 O=C(O)c1cc(Br)co1 Amb18129829 [0,0,0,0,0,0|3,0,0]=3 416 B9R1.35 O=C(O)c1cc(Br)cs1 Amb1935172 [0,0,0,0,0,0|3,0,0]=3 417 B9R1.35 O=C(O)c1cc(Br)no1 Amb10603676 [0,0,0,0,0,0|3,0,0]=3 418 B9R1.35 O=C(O)c1cc(Br)ns1 Amb28204289 [0,0,0,0,0,0|3,0,0]=3 419 B9R1.35 O=C(O)c1cc(Br)on1 Amb28388186 [0,0,0,0,0,0|2,1,0]=3 420 B9R1.35 O=C(O)c1cc(Cl)co1 Amb18644297 [0,0,0,0,0,0|3,0,0]=3 421 B9R1.35 O=C(O)c1cc(Cl)cs1 Amb16185757 [0,0,0,0,0,0|3,0,0]=3 422 B9R1.35 O=C(O)c1cc(Cl)no1 Amb15701317 [0,0,0,0,0,0|3,0,0]=3 423 B9R1.35 O=C(O)c1cc(Cl)ns1 Amb18189241 [0,0,0,0,0,0|3,0,0]=3 424 B9R1.35 O=C(O)c1cc(Cl)on1 Amb26438976 [0,0,0,0,0,0|2,1,0]=3 425 B9R1.35 O=C(O)c1cc(F)co1 Amb28141604 [0,0,0,0,0,0|3,0,0]=3 426 B9R1.35 O=C(O)c1cc(F)cs1 Amb10602731 [0,0,0,0,0,0|3,0,0]=3 427 B9R1.35 O=C(O)c1cc(I)on1 Amb24578190 [0,0,0,0,0,0|2,1,0]=3 428 B9R1.35 O=C(O)c1cc(O)co1 Amb27494194 [0,0,0,0,0,0|3,0,0]=3 429 B9R1.35 O=C(O)c1cc(O)cs1 Amb5720296 [0,0,0,0,0,0|3,0,0]=3 430 B9R1.35 O=C(O)c1cc(O)no1 Amb9173684 [0,0,0,0,0,0|3,0,0]=3 431 B9R1.35 O=C(O)c1cc(O)ns1 Amb24579600 [0,0,0,0,0,0|3,0,0]=3 432 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,0,0,0,0,0|3,0,0]=3 433 B9R1.35 O=C(O)c1ccc(Br)s1 Amb6341887 [0,0,0,0,0,0|3,0,0]=3 434 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,0,0,0,0,0|3,0,0]=3 435 B9R1.35 O=C(O)c1ccc(Cl)s1 Amb1152956 [0,0,0,0,0,0|3,0,0]=3 436 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,0,0,0,0,0|3,0,0]=3 437 B9R1.35 O=C(O)c1ccc(F)s1 Amb33542618 [0,0,0,0,0,0|3,0,0]=3 438 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,0,0,0,0,0|3,0,0]=3 439 B9R1.35 O=C(O)c1ccc(I)s1 Amb22002319 [0,0,0,0,0,0|3,0,0]=3 440 B9R1.35 O=C(O)c1cn(O)nn1 Amb27880868 [0,0,0,0,0,0|4,0,0]=4 441 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,0,0,0,0,0|3,0,0]=3 442 B9R1.35 O=C(O)c1cnc(Br)s1 Amb6600495 [0,0,0,0,0,0|3,0,0]=3 443 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,0,0,0,0,0|3,0,0]=3 444 B9R1.35 O=C(O)c1cnc(Cl)s1 Amb2432444 [0,0,0,0,0,0|3,0,0]=3 445 B9R1.35 O=C(O)c1cnc(F)s1 Amb24329329 [0,0,0,0,0,0|3,0,0]=3 446 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,0,0,0,0,0|3,0,0]=3 447 B9R1.35 O=C(O)c1cnc(S)s1 Amb27401807 [0,0,0,0,0,0|3,0,0]=3 448 B9R1.35 O=C(O)c1coc(Br)c1 Amb1111481 [0,0,0,0,0,0|1,1,0]=2 449 B9R1.35 O=C(O)c1coc(Br)n1 Amb21857043 [0,0,0,0,0,0|2,1,0]=3 450 B9R1.35 O=C(O)c1coc(Cl)c1 Amb22284566 [0,0,0,0,0,0|1,1,0]=2 451 B9R1.35 O=C(O)c1coc(Cl)n1 Amb16232458 [0,0,0,0,0,0|2,1,0]=3 452 B9R1.35 O=C(O)c1coc(F)c1 Amb27847282 [0,0,0,0,0,0|1,1,0]=2 453 B9R1.35 O=C(O)c1coc(F)n1 Amb22756381 [0,0,0,0,0,0|2,1,0]=3 454 B9R1.35 O=C(O)c1coc(I)c1 Amb13952880 [0,0,0,0,0,0|1,1,0]=2 455 B9R1.35 O=C(O)c1coc(I)n1 Amb22000930 [0,0,0,0,0,0|2,1,0]=3 456 B9R1.35 O=C(O)c1coc(O)n1 Amb24481698 [0,0,0,0,0,0|2,1,0]=3 457 B9R1.35 O=C(O)c1coc(S)n1 Amb27212072 [0,0,0,0,0,0|2,1,0]=3 458 B9R1.35 O=C(O)c1csc(Br)c1 Amb2372549 [0,0,0,0,0,0|1,0,0]=1 459 B9R1.35 O=C(O)c1csc(Br)n1 Amb2455706 [0,0,0,0,0,0|2,0,0]=2 460 B9R1.35 O=C(O)c1csc(Br)n1 Amb32665794 [0,0,0,0,0,0|2,0,0]=2 461 B9R1.35 O=C(O)c1csc(Cl)c1 Amb2611689 [0,0,0,0,0,0|1,0,0]=1 462 B9R1.35 O=C(O)c1csc(Cl)n1 Amb8630269 [0,0,0,0,0,0|2,0,0]=2 463 B9R1.35 O=C(O)c1csc(F)c1 Amb2611691 [0,0,0,0,0,0|1,0,0]=1 464 B9R1.35 O=C(O)c1csc(F)n1 Amb25147077 [0,0,0,0,0,0|2,0,0]=2 465 B9R1.35 O=C(O)c1csc(I)c1 Amb13952879 [0,0,0,0,0,0|1,0,0]=1 466 B9R1.35 O=C(O)c1csc(I)n1 Amb8630396 [0,0,0,0,0,0|2,0,0]=2 467 B9R1.35 O=C(O)c1csc(O)c1 Amb26638056 [0,0,0,0,0,0|1,0,0]=1 468 B9R1.35 O=C(O)c1csc(O)n1 Amb27142660 [0,0,0,0,0,0|2,0,0]=2 469 B9R1.35 O=C(O)c1csc(S)n1 Amb24480164 [0,0,0,0,0,0|2,0,0]=2 470 B9R1.35 O=C(O)c1nc(Br)co1 Amb22754333 [0,0,0,0,0,0|4,0,0]=4 471 B9R1.35 O=C(O)c1nc(Br)cs1 Amb13883510 [0,0,0,0,0,0|4,0,0]=4 472 B9R1.35 O=C(O)c1nc(Cl)cs1 Amb26941525 [0,0,0,0,0,0|4,0,0]=4 473 B9R1.35 O=C(O)c1nc(Cl)ns1 Amb28196534 [0,0,0,0,0,0|4,0,0]=4 474 B9R1.35 O=C(O)c1nc(F)cs1 Amb27629831 [0,0,0,0,0,0|4,0,0]=4 475 B9R1.35 O=C(O)c1nc(O)cs1 Amb35710163 [0,0,0,0,0,0|4,0,0]=4 476 B9R1.35 O=C(O)c1ncc(Br)s1 Amb10606388 [0,0,0,0,0,0|4,0,0]=4 477 B9R1.35 O=C(O)c1ncc(Cl)s1 Amb33543981 [0,0,0,0,0,0|4,0,0]=4 478 B9R1.35 O=C(O)c1ncc(I)s1 Amb27866039 [0,0,0,0,0,0|4,0,0]=4 479 B9R1.35 O=C(O)c1nnc(Br)o1 Amb18190404 [0,0,0,0,0,0|4,0,0]=4 480 B9R1.35 O=C(O)c1nnc(Br)s1 Amb23437048 [0,0,0,0,0,0|4,0,0]=4 481 B9R1.35 O=C(O)c1nnc(Cl)s1 Amb23402885 [0,0,0,0,0,0|4,0,0]=4 482 B9R1.35 O=C(O)c1nnc(I)s1 Amb26929267 [0,0,0,0,0,0|4,0,0]=4 483 B9R1.35 O=C(O)c1noc(Cl)n1 Amb27877582 [0,0,0,0,0,0|3,1,0]=4 484 B9R1.35 O=C(O)c1noc(O)n1 Amb26962564 [0,0,0,0,0,0|3,1,0]=4 485 B9R1.35 O=C(O)c1nsc(Cl)n1 Amb24681982 [0,0,0,0,0,0|3,0,0]=3 486 B9R1.35 O=C([O-])c1cc([O-])on1 Amb33309471 [0,0,0,0,0,0|2,1,1]=4 487 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,0,0,0|2,0,1]=3 488 B9R1.35 O=C1C=C(C(=O)O)NN1 Amb18944048 [0,0,0,0,0,0|3,0,0]=3 489 B9R1.35 O=C1C=C(C(=O)O)ON1 Amb19889163 [0,0,0,0,0,0|3,0,0]=3 490 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,0,0,0|2,0,2]=4 491 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,0,0,0|3,0,1]=4 492 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,0,0,0,0,0|2,0,1]=3 493 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,0,0,0|1,1,1]=3 494 B9R1.35 O=C1CC(C(=O)O)=NN1 Amb18278720 [0,0,0,0,0,0|3,0,1]=4 495 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,0,0,0,0,0|1,0,3]=4 496 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [0,0,0,0,0,0|4,0,0]=4 497 B9R1.35 O=C1CSC(C(=O)O)=N1 Amb27211941 [0,0,0,0,0,0|4,0,0]=4 498 B9R1.35 O=C1N=C(C(=O)O)NN1 Amb18944041 [0,0,0,0,0,0|4,0,0]=4 499 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,0,0,0,0,0|2,0,2]=4 500 B9R1.35 O=C1NC=C(C(=O)O)N1 Amb18278248 [0,0,0,0,0,0|3,0,0]=3 501 B9R1.35 O=C1NC=C(C(=O)O)S1 Amb33531086 [0,0,0,0,0,0|3,0,0]=3 502 B9R1.35 O=C1NN=C(C(=O)O)N1 Amb19205315 [0,0,0,0,0,0|4,0,0]=4 503 B9R1.35 O=C1NN=C(C(=O)O)N1 Amb21955579 [0,0,0,0,0,0|4,0,0]=4 504 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,0,0,0,0,0|2,0,2]=4 505 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,0,0,0,0,0|2,0,2]=4 506 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,0,0,0,0,0|2,0,2]=4 507 B9R1.35 O=S(O)c1cc(Br)cs1 Amb18867802 [0,0,0,0,0,0|4,0,0]=4 508 B9R1.35 O=S(O)c1ccc(Br)s1 Amb18571234 [0,0,0,0,0,0|4,0,0]=4 509 B9R1.35 O=S(O)c1ccc(Cl)s1 Amb18560136 [0,0,0,0,0,0|4,0,0]=4 510 B9R1.35 O=[N+]([O-])c1csc(Br)n1 Amb24662992 [0,0,0,0,0,0|3,0,1]=4 511 B9R1.35 O=[N+]([O-])c1csc(I)c1 Amb27963161 [0,0,0,0,0,0|2,0,1]=3 512 B9R1.35 OB(O)c1csc(Br)n1 Amb10597540 [0,0,0,0,0,0|3,0,1]=4 513 B9R1.35 OB(O)c1csc(Cl)c1 Amb9774902 [0,0,0,0,0,0|2,0,1]=3 514 B9R1.35 OC(=S)c1ccc(Br)o1 Amb27186020 [0,0,0,0,0,0|3,1,0]=4 515 B9R1.35 [NH3+]c1nc(C(=O)O)cs1 Amb2694742 [0,0,0,0,0,0|2,0,0]=2 516 B8R1.1 BrCc1csc(Br)c1 Amb7969572 [1,0,0,0,0,0|2,0,1]=4 517 B8R1.1 Brc1cc(CI)cs1 Amb27451754 [1,0,0,0,0,0|2,0,1]=4 518 B8R1.1 C#Cc1csc(C)n1 Amb22263383 [1,0,0,0,0,0|2,0,1]=4 519 B8R1.1 C#Cc1csc(Cl)c1 Amb25117413 [1,0,0,0,0,0|2,0,1]=4 520 B8R1.1 C=Cc1cc(C)cs1 Amb27390688 [1,0,0,0,0,0|3,0,0]=4 521 B8R1.1 C=Cc1cc(C)no1 Amb26019314 [1,0,0,0,0,0|3,0,0]=4 522 B8R1.1 C=Cc1cc(C)ns1 Amb29856253 [1,0,0,0,0,0|3,0,0]=4 523 B8R1.1 C=Cc1cc(C)on1 Amb27841464 [1,0,0,0,0,0|2,1,0]=4 524 B8R1.1 C=Cc1ccc(C)o1 Amb22126655 [1,0,0,0,0,0|3,0,0]=4 525 B8R1.1 C=Cc1ccc(C)s1 Amb26496095 [1,0,0,0,0,0|3,0,0]=4 526 B8R1.1 C=Cc1cnc(C)s1 Amb25959623 [1,0,0,0,0,0|3,0,0]=4 527 B8R1.1 C=Cc1cnn(C)c1 Amb20669441 [1,0,0,0,0,0|3,0,0]=4 528 B8R1.1 C=Cc1csc(Br)c1 Amb28368967 [1,0,0,0,0,0|2,0,0]=3 529 B8R1.1 C=Cc1csc(Br)n1 Amb26004316 [1,0,0,0,0,0|3,0,0]=4 530 B8R1.1 C=Cc1csc(C)n1 Amb24097145 [1,0,0,0,0,0|2,0,0]=3 531 B8R1.1 C=Cc1csc(C)n1 Amb32661731 [1,0,0,0,0,0|2,0,0]=3 532 B8R1.1 C=Cc1csc(Cl)c1 Amb27590691 [1,0,0,0,0,0|2,0,0]=3 533 B8R1.1 C=Cc1csc(N)n1 Amb27879470 [1,0,0,0,0,0|3,0,0]=4 534 B8R1.1 C=Cc1csc(N)n1 Amb32661082 [1,0,0,0,0,0|3,0,0]=4 535 B8R1.1 C=Cn1ccc(C)c1 Amb27797483 [1,0,0,0,0,0|3,0,0]=4 536 B8R1.1 CC1=C\C(=N\O)CC1 Amb28324785 [1,0,0,0,0,0|2,0,1]=4 537 B8R1.1 CCC1=CCC(C)=C1 Amb22229283 [1,0,0,0,0,0|2,0,1]=4 538 B8R1.1 CCc1csc(Br)c1 Amb10600655 [1,0,0,0,0,0|2,0,1]=4 539 B8R1.1 CCc1csc(C)c1 Amb26515767 [1,0,0,0,0,0|1,0,1]=3 540 B8R1.1 CCc1csc(C)n1 Amb24459593 [1,0,0,0,0,0|2,0,1]=4 541 B8R1.1 CCc1csc(Cl)c1 Amb28041659 [1,0,0,0,0,0|2,0,1]=4 542 B8R1.1 CCc1csc(N)c1 Amb10600656 [1,0,0,0,0,0|2,0,1]=4 543 B8R1.1 CCc1csc(O)c1 Amb20617197 [1,0,0,0,0,0|2,0,1]=4 544 B8R1.1 COc1csc(Br)c1 Amb18190254 [1,0,0,0,0,0|3,0,0]=4 545 B8R1.1 COc1csc(C)c1 Amb27781080 [1,0,0,0,0,0|2,0,0]=3 546 B8R1.1 COc1csc(I)c1 Amb27462119 [1,0,0,0,0,0|3,0,0]=4 547 B8R1.1 COc1csc(S)c1 Amb27788825 [1,0,0,0,0,0|3,0,0]=4 548 B8R1.1 CSc1csc(Br)c1 Amb27825840 [1,0,0,0,0,0|3,0,0]=4 549 B8R1.1 CSc1csc(C)c1 Amb27421502 [1,0,0,0,0,0|2,0,0]=3 550 B8R1.1 C[C@@H]1C=C(C=O)CC1 Amb25760068 [1,0,0,0,0,0|1,0,2]=4 551 B8R1.1 C[C@H]1C=C(C=O)CC1 Amb25839230 [1,0,0,0,0,0|1,0,2]=4 552 B8R1.1 Cc1[nH+]c(CCl)cs1 Amb24113844 [1,0,0,0,0,0|2,0,1]=4 553 B8R1.1 Cc1cc(C#N)ns1 Amb27636294 [1,0,0,0,0,0|2,0,1]=4 554 B8R1.1 Cc1cc(C=O)cs1 Amb5492334 [1,0,0,0,0,0|0,0,0]=1 555 B8R1.1 Cc1cc(C=O)no1 Amb33546829 [1,0,0,0,0,0|1,1,0]=3 556 B8R1.1 Cc1cc(C=O)ns1 Amb8010955 [1,0,0,0,0,0|1,0,0]=2 557 B8R1.1 Cc1cc(C=O)on1 Amb6572035 [1,0,0,0,0,0|2,0,0]=3 558 B8R1.1 Cc1cc(C=O)sn1 Amb8010957 [1,0,0,0,0,0|2,0,0]=3 559 B8R1.1 Cc1cc(CBr)cs1 Amb26875438 [1,0,0,0,0,0|1,0,1]=3 560 B8R1.1 Cc1cc(CCl)cs1 Amb17093913 [1,0,0,0,0,0|1,0,1]=3 561 B8R1.1 Cc1cc(CCl)ns1 Amb28041284 [1,0,0,0,0,0|2,0,1]=4 562 B8R1.1 Cc1cc(CN)co1 Amb27252618 [1,0,0,0,0,0|1,1,1]=4 563 B8R1.1 Cc1cc(CN)cs1 Amb18202501 [1,0,0,0,0,0|1,0,1]=3 564 B8R1.1 Cc1cc(CO)co1 Amb22170482 [1,0,0,0,0,0|0,1,1]=3 565 B8R1.1 Cc1cc(CO)cs1 Amb6753843 [1,0,0,0,0,0|0,0,1]=2 566 B8R1.1 Cc1cc(CO)no1 Amb2688767 [1,0,0,0,0,0|1,1,1]=4 567 B8R1.1 Cc1cc(CO)ns1 Amb24456114 [1,0,0,0,0,0|1,0,1]=3 568 B8R1.1 Cc1cc(CO)on1 Amb24094149 [1,0,0,0,0,0|2,0,1]=4 569 B8R1.1 Cc1cc(CO)on1 Amb33531749 [1,0,0,0,0,0|2,0,1]=4 570 B8R1.1 Cc1cc(CO)sn1 Amb27756410 [1,0,0,0,0,0|2,0,1]=4 571 B8R1.1 Cc1cc(CS)cs1 Amb16628924 [1,0,0,0,0,0|0,1,1]=3 572 B8R1.1 Cc1ccc(C=O)o1 Amb1151338 [1,0,0,0,0,0|2,0,0]=3 573 B8R1.1 Cc1ccc(C=O)s1 Amb2447398 [1,0,0,0,0,0|2,0,0]=3 574 B8R1.1 Cc1ccc(CO)o1 Amb1856157 [1,0,0,0,0,0|2,0,1]=4 575 B8R1.1 Cc1ccc(CO)s1 Amb33528967 [1,0,0,0,0,0|2,0,1]=4 576 B8R1.1 Cc1cn(CO)cn1 Amb28053909 [1,0,0,0,0,0|2,0,1]=4 577 B8R1.1 Cc1cnc(C=O)o1 Amb8010965 [1,0,0,0,0,0|3,0,0]=4 578 B8R1.1 Cc1cnc(C=O)s1 Amb8010590 [1,0,0,0,0,0|3,0,0]=4 579 B8R1.1 Cc1coc(C=O)c1 Amb18124164 [1,0,0,0,0,0|2,0,0]=3 580 B8R1.1 Cc1coc(C=O)n1 Amb8010964 [1,0,0,0,0,0|3,0,0]=4 581 B8R1.1 Cc1coc(CO)c1 Amb24066149 [1,0,0,0,0,0|2,0,1]=4 582 B8R1.1 Cc1csc(C=O)c1 Amb2447336 [1,0,0,0,0,0|2,0,0]=3 583 B8R1.1 Cc1csc(C=O)n1 Amb5494084 [1,0,0,0,0,0|3,0,0]=4 584 B8R1.1 Cc1csc(CO)c1 Amb2723480 [1,0,0,0,0,0|2,0,1]=4 585 B8R1.1 Cc1nc(C#N)cs1 Amb2725971 [1,0,0,0,0,0|2,0,1]=4 586 B8R1.1 Cc1nc(C=O)co1 Amb8010966 [1,0,0,0,0,0|1,1,0]=3 587 B8R1.1 Cc1nc(C=O)cs1 Amb444935 [1,0,0,0,0,0|1,0,0]=2 588 B8R1.1 Cc1nc(C=O)no1 Amb8010176 [1,0,0,0,0,0|2,1,0]=4 589 B8R1.1 Cc1nc(C=O)ns1 Amb8010993 [1,0,0,0,0,0|2,0,0]=3 590 B8R1.1 Cc1nc(CBr)cs1 Amb22002132 [1,0,0,0,0,0|2,0,1]=4 591 B8R1.1 Cc1nc(CBr)cs1 Amb33534320 [1,0,0,0,0,0|2,0,1]=4 592 B8R1.1 Cc1nc(CCl)cs1 Amb1152226 [1,0,0,0,0,0|2,0,1]=4 593 B8R1.1 Cc1nc(CCl)cs1 Amb2455685 [1,0,0,0,0,0|2,0,1]=4 594 B8R1.1 Cc1nc(CN)cs1 Amb11012602 [1,0,0,0,0,0|2,0,1]=4 595 B8R1.1 Cc1nc(CN)cs1 Amb22264762 [1,0,0,0,0,0|2,0,1]=4 596 B8R1.1 Cc1nc(CN)cs1 Amb3941608 [1,0,0,0,0,0|2,0,1]=4 597 B8R1.1 Cc1nc(CN)cs1 Amb6335323 [1,0,0,0,0,0|2,0,1]=4 598 B8R1.1 Cc1nc(CO)co1 Amb10071198 [1,0,0,0,0,0|1,1,1]=4 599 B8R1.1 Cc1nc(CO)cs1 Amb1106426 [1,0,0,0,0,0|1,0,1]=3 600 B8R1.1 Cc1nc(CS)cs1 Amb17108588 [1,0,0,0,0,0|1,1,1]=4 601 B8R1.1 Cc1nc(NN)cs1 Amb28324074 [1,0,0,0,0,0|3,0,0]=4 602 B8R1.1 Cc1ncc(C=O)o1 Amb8010968 [1,0,0,0,0,0|2,0,0]=3 603 B8R1.1 Cc1ncc(C=O)s1 Amb6316125 [1,0,0,0,0,0|2,0,0]=3 604 B8R1.1 Cc1ncc(CO)o1 Amb10071203 [1,0,0,0,0,0|2,0,1]=4 605 B8R1.1 Cc1ncc(CO)s1 Amb10609700 [1,0,0,0,0,0|2,0,1]=4 606 B8R1.1 Cc1nnc(C=O)o1 Amb22011678 [1,0,0,0,0,0|3,0,0]=4 607 B8R1.1 Cc1nnc(C=O)s1 Amb8010984 [1,0,0,0,0,0|3,0,0]=4 608 B8R1.1 Cc1noc(C=O)n1 Amb8010177 [1,0,0,0,0,0|3,0,0]=4 609 B8R1.1 Cc1nsc(C=O)n1 Amb8010992 [1,0,0,0,0,0|3,0,0]=4 610 B8R1.1 ClCc1csc(Br)c1 Amb10609258 [1,0,0,0,0,0|2,0,1]=4 611 B8R1.1 ClCc1csc(Cl)c1 Amb28068911 [1,0,0,0,0,0|2,0,1]=4 612 B8R1.1 ClCc1csc(I)c1 Amb27272839 [1,0,0,0,0,0|2,0,1]=4 613 B8R1.1 Clc1cc(CBr)cs1 Amb27488966 [1,0,0,0,0,0|2,0,1]=4 614 B8R1.1 Clc1cc(CI)cs1 Amb27843256 [1,0,0,0,0,0|2,0,1]=4 615 B8R1.1 Cn1cc(C=O)cn1 Amb1062067 [1,0,0,0,0,0|2,0,0]=3 616 B8R1.1 Cn1cc(C=O)nn1 Amb8010938 [1,0,0,0,0,0|3,0,0]=4 617 B8R1.1 Cn1cc(CO)cn1 Amb1229161 [1,0,0,0,0,0|2,0,1]=4 618 B8R1.1 Cn1ccc(C=O)c1 Amb2413661 [1,0,0,0,0,0|2,0,0]=3 619 B8R1.1 Cn1ccc(C=O)n1 Amb1945611 [1,0,0,0,0,0|3,0,0]=4 620 B8R1.1 Cn1ccc(CO)c1 Amb18221599 [1,0,0,0,0,0|2,0,1]=4 621 B8R1.1 Cn1cnc(C=O)c1 Amb2723067 [1,0,0,0,0,0|3,0,0]=4 622 B8R1.1 Cn1ncc(C=O)n1 Amb27752909 [1,0,0,0,0,0|3,0,0]=4 623 B8R1.1 N#Cc1csc(Br)c1 Amb20241727 [1,0,0,0,0,0|2,0,1]=4 624 B8R1.1 N#Cc1csc(Cl)c1 Amb22235273 [1,0,0,0,0,0|2,0,1]=4 625 B8R1.1 N#Cc1csc(I)c1 Amb24483164 [1,0,0,0,0,0|2,0,1]=4 626 B8R1.1 N#Cc1csc(O)c1 Amb33149230 [1,0,0,0,0,0|2,0,1]=4 627 B8R1.1 N#Cc1csc(S)c1 Amb32876054 [1,0,0,0,0,0|2,0,1]=4 628 B8R1.1 NCc1csc(Br)c1 Amb13951463 [1,0,0,0,0,0|2,0,1]=4 629 B8R1.1 NCc1csc(Br)c1 Amb7969723 [1,0,0,0,0,0|2,0,1]=4 630 B8R1.1 NCc1csc(Cl)c1 Amb22235040 [1,0,0,0,0,0|2,0,1]=4 631 B8R1.1 NCc1csc(Cl)c1 Amb22752253 [1,0,0,0,0,0|2,0,1]=4 632 B8R1.1 NCc1csc(I)c1 Amb24533929 [1,0,0,0,0,0|2,0,1]=4 633 B8R1.1 NCc1csc(N)c1 Amb18251120 [1,0,0,0,0,0|2,0,1]=4 634 B8R1.1 Nc1cc(C=O)co1 Amb18681236 [1,0,0,0,0,0|1,1,0]=3 635 B8R1.1 Nc1cc(C=O)cs1 Amb18145783 [1,0,0,0,0,0|1,0,0]=2 636 B8R1.1 Nc1cc(CO)ns1 Amb27231685 [1,0,0,0,0,0|2,0,1]=4 637 B8R1.1 Nc1ccc(C=O)o1 Amb18833112 [1,0,0,0,0,0|3,0,0]=4 638 B8R1.1 Nc1ccc(C=O)s1 Amb18202442 [1,0,0,0,0,0|3,0,0]=4 639 B8R1.1 Nc1coc(C=O)c1 Amb18833113 [1,0,0,0,0,0|3,0,0]=4 640 B8R1.1 Nc1csc(C=O)c1 Amb18679453 [1,0,0,0,0,0|3,0,0]=4 641 B8R1.1 Nc1nc(C=O)co1 Amb27482554 [1,0,0,0,0,0|2,1,0]=4 642 B8R1.1 Nc1nc(C=O)cs1 Amb21964509 [1,0,0,0,0,0|2,0,0]=3 643 B8R1.1 Nc1nc(CO)cs1 Amb1101129 [1,0,0,0,0,0|2,0,1]=4 644 B8R1.1 Nc1nc(CO)cs1 Amb22284118 [1,0,0,0,0,0|2,0,1]=4 645 B8R1.1 Nc1ncc(C=O)o1 Amb23400983 [1,0,0,0,0,0|3,0,0]=4 646 B8R1.1 Nc1ncc(C=O)s1 Amb535864 [1,0,0,0,0,0|3,0,0]=4 647 B8R1.1 Nc1ncc(C=O)s1 Amb8631369 [1,0,0,0,0,0|3,0,0]=4 648 B8R1.1 O=C1SC=C(CO)S1 Amb27652889 [1,0,0,0,0,0|2,0,1]=4 649 B8R1.1 O=CC1=CC(=O)NC1 Amb27962554 [1,0,0,0,0,0|2,0,1]=4 650 B8R1.1 O=CC1=CC(=O)NN1 Amb28436451 [1,0,0,0,0,0|3,0,0]=4 651 B8R1.1 O=CC1=CC(=O)NO1 Amb22498283 [1,0,0,0,0,0|3,0,0]=4 652 B8R1.1 O=CC1=CSC(=O)S1 Amb25984894 [1,0,0,0,0,0|2,0,0]=3 653 B8R1.1 O=CC1=CSC(=S)N1 Amb25263915 [1,0,0,0,0,0|2,0,0]=3 654 B8R1.1 O=CC1=CSC(=S)S1 Amb27464107 [1,0,0,0,0,0|2,0,0]=3 655 B8R1.1 O=Cc1cc(Br)co1 Amb2685260 [1,0,0,0,0,0|3,0,0]=4 656 B8R1.1 O=Cc1cc(Br)cs1 Amb1806177 [1,0,0,0,0,0|3,0,0]=4 657 B8R1.1 O=Cc1cc(Br)no1 Amb10602266 [1,0,0,0,0,0|3,0,0]=4 658 B8R1.1 O=Cc1cc(Cl)co1 Amb18642825 [1,0,0,0,0,0|3,0,0]=4 659 B8R1.1 O=Cc1cc(Cl)cs1 Amb33544156 [1,0,0,0,0,0|3,0,0]=4 660 B8R1.1 O=Cc1cc(F)co1 Amb18833044 [1,0,0,0,0,0|3,0,0]=4 661 B8R1.1 O=Cc1cc(F)cs1 Amb18832536 [1,0,0,0,0,0|3,0,0]=4 662 B8R1.1 O=Cc1cc(I)cs1 Amb21962048 [1,0,0,0,0,0|3,0,0]=4 663 B8R1.1 O=Cc1cc(O)co1 Amb28049029 [1,0,0,0,0,0|3,0,0]=4 664 B8R1.1 O=Cc1cc(O)cs1 Amb28138899 [1,0,0,0,0,0|3,0,0]=4 665 B8R1.1 O=Cc1ccc(Br)o1 Amb1153092 [1,0,0,0,0,0|3,0,0]=4 666 B8R1.1 O=Cc1ccc(Br)s1 Amb1161542 [1,0,0,0,0,0|3,0,0]=4 667 B8R1.1 O=Cc1ccc(Cl)o1 Amb1157854 [1,0,0,0,0,0|3,0,0]=4 668 B8R1.1 O=Cc1ccc(Cl)s1 Amb1159320 [1,0,0,0,0,0|3,0,0]=4 669 B8R1.1 O=Cc1ccc(F)o1 Amb18203364 [1,0,0,0,0,0|3,0,0]=4 670 B8R1.1 O=Cc1ccc(F)s1 Amb10249047 [1,0,0,0,0,0|3,0,0]=4 671 B8R1.1 O=Cc1ccc(I)o1 Amb1669363 [1,0,0,0,0,0|3,0,0]=4 672 B8R1.1 O=Cc1ccc(I)s1 Amb20621479 [1,0,0,0,0,0|3,0,0]=4 673 B8R1.1 O=Cc1ccc(O)o1 Amb26370088 [1,0,0,0,0,0|3,0,0]=4 674 B8R1.1 O=Cc1ccc(O)s1 Amb24741796 [1,0,0,0,0,0|3,0,0]=4 675 B8R1.1 O=Cc1ccc(S)s1 Amb26641991 [1,0,0,0,0,0|3,0,0]=4 676 B8R1.1 O=Cc1cnc(Br)o1 Amb10067561 [1,0,0,0,0,0|3,0,0]=4 677 B8R1.1 O=Cc1cnc(Br)s1 Amb2455702 [1,0,0,0,0,0|3,0,0]=4 678 B8R1.1 O=Cc1cnc(Cl)s1 Amb2407120 [1,0,0,0,0,0|3,0,0]=4 679 B8R1.1 O=Cc1cnc(O)s1 Amb18832574 [1,0,0,0,0,0|3,0,0]=4 680 B8R1.1 O=Cc1cnn(O)c1 Amb28246514 [1,0,0,0,0,0|3,0,0]=4 681 B8R1.1 O=Cc1coc(Br)c1 Amb18146214 [1,0,0,0,0,0|1,1,0]=3 682 B8R1.1 O=Cc1coc(Br)n1 Amb10067556 [1,0,0,0,0,0|2,1,0]=4 683 B8R1.1 O=Cc1coc(Cl)c1 Amb24452187 [1,0,0,0,0,0|1,1,0]=3 684 B8R1.1 O=Cc1coc(Cl)n1 Amb27228792 [1,0,0,0,0,0|2,1,0]=4 685 B8R1.1 O=Cc1coc(F)c1 Amb18833046 [1,0,0,0,0,0|1,1,0]=3 686 B8R1.1 O=Cc1coc(I)c1 Amb25223500 [1,0,0,0,0,0|1,1,0]=3 687 B8R1.1 O=Cc1csc(Br)c1 Amb1111482 [1,0,0,0,0,0|1,0,0]=2 688 B8R1.1 O=Cc1csc(Br)n1 Amb10067250 [1,0,0,0,0,0|2,0,0]=3 689 B8R1.1 O=Cc1csc(Cl)c1 Amb18644303 [1,0,0,0,0,0|1,0,0]=2 690 B8R1.1 O=Cc1csc(Cl)n1 Amb10067275 [1,0,0,0,0,0|2,0,0]=3 691 B8R1.1 O=Cc1csc(F)c1 Amb18203204 [1,0,0,0,0,0|1,0,0]=2 692 B8R1.1 O=Cc1csc(I)c1 Amb22749349 [1,0,0,0,0,0|1,0,0]=2 693 B8R1.1 OCc1coc(Br)c1 Amb22736839 [1,0,0,0,0,0|1,1,1]=4 694 B8R1.1 OCc1coc(I)c1 Amb24560087 [1,0,0,0,0,0|1,1,1]=4 695 B8R1.1 OCc1csc(Br)c1 Amb33531870 [1,0,0,0,0,0|1,0,1]=3 696 B8R1.1 OCc1csc(Br)n1 Amb22587174 [1,0,0,0,0,0|2,0,1]=4 697 B8R1.1 OCc1csc(Br)n1 Amb2455707 [1,0,0,0,0,0|2,0,1]=4 698 B8R1.1 OCc1csc(Cl)c1 Amb21864616 [1,0,0,0,0,0|1,0,1]=3 699 B8R1.1 OCc1csc(Cl)n1 Amb10067282 [1,0,0,0,0,0|2,0,1]=4 700 B8R1.1 OCc1csc(F)n1 Amb24099809 [1,0,0,0,0,0|2,0,1]=4 701 B8R1.1 OCc1csc(I)c1 Amb27951497 [1,0,0,0,0,0|1,0,1]=3 702 B8R1.1 OCc1csc(O)n1 Amb28285215 [1,0,0,0,0,0|2,0,1]=4 703 B8R1.1 OCc1csc(S)n1 Amb22297669 [1,0,0,0,0,0|2,0,1]=4 704 B8R1.1 SCc1csc(Br)c1 Amb32788459 [1,0,0,0,0,0|1,1,1]=4 705 B8R1.1 [C-]#[N+]c1csc(Br)c1 Amb33450653 [1,0,0,0,0,0|3,0,0]=4 706 B8R1.1 [C-]#[N+]c1csc(C)n1 Amb33416113 [1,0,0,0,0,0|3,0,0]=4 707 B8R1.7 C=C(Br)c1ccsc1 Amb27667868 [1,0,0,0,0,0|2,0,0]=3 708 B8R1.7 C=C(C)c1ccoc1 Amb27627290 [1,0,0,0,0,0|2,1,0]=4 709 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [1,0,0,0,0,0|2,0,0]=3 710 B8R1.7 CC(=O)[c-]1cccc1 Amb34916050 [1,0,0,0,0,0|2,0,1]=4 711 B8R1.7 CC(=O)c1cc[se]c1 Amb2611517 [1,0,0,0,0,0|1,1,0]=3 712 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [1,0,0,0,0,0|3,0,0]=4 713 B8R1.7 CC(=O)c1ccco1 Amb2782007 [1,0,0,0,0,0|3,0,0]=4 714 B8R1.7 CC(=O)c1cccs1 Amb2684284 [1,0,0,0,0,0|3,0,0]=4 715 B8R1.7 CC(=O)c1ccno1 Amb20242198 [1,0,0,0,0,0|3,0,0]=4 716 B8R1.7 CC(=O)c1ccns1 Amb13883508 [1,0,0,0,0,0|3,0,0]=4 717 B8R1.7 CC(=O)c1ccoc1 Amb2440799 [1,0,0,0,0,0|1,1,0]=3 718 B8R1.7 CC(=O)c1ccon1 Amb20242197 [1,0,0,0,0,0|2,1,0]=4 719 B8R1.7 CC(=O)c1ccsc1 Amb535812 [1,0,0,0,0,0|1,0,0]=2 720 B8R1.7 CC(=O)c1ccsn1 Amb25044341 [1,0,0,0,0,0|2,0,0]=3 721 B8R1.7 CC(=O)c1cnco1 Amb24737064 [1,0,0,0,0,0|3,0,0]=4 722 B8R1.7 CC(=O)c1cncs1 Amb33531201 [1,0,0,0,0,0|3,0,0]=4 723 B8R1.7 CC(=O)c1cnsc1 Amb26359853 [1,0,0,0,0,0|2,0,0]=3 724 B8R1.7 CC(=O)c1cocn1 Amb18833111 [1,0,0,0,0,0|2,1,0]=4 725 B8R1.7 CC(=O)c1cscn1 Amb33543399 [1,0,0,0,0,0|2,0,0]=3 726 B8R1.7 CC(=O)c1csnn1 Amb18203245 [1,0,0,0,0,0|3,0,0]=4 727 B8R1.7 CC(=O)c1ncsn1 Amb26887703 [1,0,0,0,0,0|3,0,0]=4 728 B8R1.7 CC(=O)n1ccnc1 Amb2684250 [1,0,0,0,0,0|3,0,0]=4 729 B8R1.7 CC(C)=C1C=CC=C1 Amb2720978 [1,0,0,0,0,0|3,0,0]=4 730 B8R1.7 CC(C)=C1C=CSC1 Amb28188823 [1,0,0,0,0,0|2,0,1]=4 731 B8R1.7 CC(N)=C1C=CC=C1 Amb27245689 [1,0,0,0,0,0|3,0,0]=4 732 B8R1.7 CC(N)c1ccsc1 Amb13952135 [1,0,0,0,0,0|2,0,1]=4 733 B8R1.7 CC(O)c1ccoc1 Amb2440797 [1,0,0,0,0,0|1,1,1]=4 734 B8R1.7 CC(O)c1ccsc1 Amb26017991 [1,0,0,0,0,0|1,0,1]=3 735 B8R1.7 CC(O)c1cnsc1 Amb30019748 [1,0,0,0,0,0|2,0,1]=4 736 B8R1.7 CC(O)c1cscn1 Amb26858695 [1,0,0,0,0,0|2,0,1]=4 737 B8R1.7 CC(S)c1ccsc1 Amb26899358 [1,0,0,0,0,0|1,1,1]=4 738 B8R1.7 C[C@@H](N)c1ccsc1 Amb27666475 [1,0,0,0,0,0|2,0,1]=4 739 B8R1.7 C[C@@H](O)c1ccoc1 Amb27668136 [1,0,0,0,0,0|1,1,1]=4 740 B8R1.7 C[C@@H](O)c1ccsc1 Amb27852673 [1,0,0,0,0,0|1,0,1]=3 741 B8R1.7 C[C@H](N)c1ccsc1 Amb22641886 [1,0,0,0,0,0|2,0,1]=4 742 B8R1.7 C[C@H](O)c1ccoc1 Amb27644198 [1,0,0,0,0,0|1,1,1]=4 743 B8R1.7 C[C@H](O)c1ccsc1 Amb26026025 [1,0,0,0,0,0|1,0,1]=3 744 B8R1.7 C[C@H](O)c1cscn1 Amb24568211 [1,0,0,0,0,0|2,0,1]=4 745 B8R1.7 N=C(N)c1ccoc1 Amb24388876 [1,0,0,0,0,0|2,1,0]=4 746 B8R1.7 N=C(N)c1ccoc1 Amb2724744 [1,0,0,0,0,0|2,1,0]=4 747 B8R1.7 N=C(N)c1ccsc1 Amb2724755 [1,0,0,0,0,0|2,0,0]=3 748 B8R1.7 N=C(N)c1ccsc1 Amb8439397 [1,0,0,0,0,0|2,0,0]=3 749 B8R1.7 N=C(N)c1cnsc1 Amb32674014 [1,0,0,0,0,0|3,0,0]=4 750 B8R1.7 N=C(N)c1cscn1 Amb28468141 [1,0,0,0,0,0|3,0,0]=4 751 B8R1.7 N=C(O)c1cocn1 Amb21928044 [1,0,0,0,0,0|2,1,0]=4 752 B8R1.7 NC(=O)c1ccco1 Amb6373632 [1,0,0,0,0,0|3,0,0]=4 753 B8R1.7 NC(=O)c1cccs1 Amb2722696 [1,0,0,0,0,0|3,0,0]=4 754 B8R1.7 NC(=O)c1ccno1 Amb4477414 [1,0,0,0,0,0|3,0,0]=4 755 B8R1.7 NC(=O)c1ccns1 Amb24409499 [1,0,0,0,0,0|3,0,0]=4 756 B8R1.7 NC(=O)c1ccoc1 Amb8998597 [1,0,0,0,0,0|1,1,0]=3 757 B8R1.7 NC(=O)c1ccon1 Amb20630182 [1,0,0,0,0,0|2,1,0]=4 758 B8R1.7 NC(=O)c1ccsc1 Amb8998201 [1,0,0,0,0,0|1,0,0]=2 759 B8R1.7 NC(=O)c1ccsn1 Amb25224962 [1,0,0,0,0,0|2,0,0]=3 760 B8R1.7 NC(=O)c1cnco1 Amb22000976 [1,0,0,0,0,0|3,0,0]=4 761 B8R1.7 NC(=O)c1cncs1 Amb19514920 [1,0,0,0,0,0|3,0,0]=4 762 B8R1.7 NC(=O)c1cnsc1 Amb24681476 [1,0,0,0,0,0|2,0,0]=3 763 B8R1.7 NC(=O)c1cocn1 Amb21857139 [1,0,0,0,0,0|2,1,0]=4 764 B8R1.7 NC(=O)c1cscn1 Amb8631050 [1,0,0,0,0,0|2,0,0]=3 765 B8R1.7 NC(=O)c1csnn1 Amb2725701 [1,0,0,0,0,0|3,0,0]=4 766 B8R1.7 NC(=O)n1cccc1 Amb17938700 [1,0,0,0,0,0|3,0,0]=4 767 B8R1.7 NC(=S)c1ccoc1 Amb2724745 [1,0,0,0,0,0|1,2,0]=4 768 B8R1.7 NC(=S)c1ccsc1 Amb1154612 [1,0,0,0,0,0|1,1,0]=3 769 B8R1.7 NC(=S)c1ccsn1 Amb33496181 [1,0,0,0,0,0|2,1,0]=4 770 B8R1.7 NC(=S)c1cnsc1 Amb32674003 [1,0,0,0,0,0|2,1,0]=4 771 B8R1.7 NC(=S)c1cscn1 Amb10068447 [1,0,0,0,0,0|2,1,0]=4 772 B8R1.7 O=C(Br)c1cccs1 Amb27239935 [1,0,0,0,0,0|3,0,0]=4 773 B8R1.7 O=C(Cl)c1ccco1 Amb2716231 [1,0,0,0,0,0|3,0,0]=4 774 B8R1.7 O=C(Cl)c1cccs1 Amb1157175 [1,0,0,0,0,0|3,0,0]=4 775 B8R1.7 O=C(Cl)c1ccno1 Amb2689052 [1,0,0,0,0,0|3,0,0]=4 776 B8R1.7 O=C(Cl)c1ccns1 Amb26413872 [1,0,0,0,0,0|3,0,0]=4 777 B8R1.7 O=C(Cl)c1ccoc1 Amb33528390 [1,0,0,0,0,0|1,1,0]=3 778 B8R1.7 O=C(Cl)c1ccsc1 Amb33527269 [1,0,0,0,0,0|1,0,0]=2 779 B8R1.7 O=C(Cl)c1cnco1 Amb26915176 [1,0,0,0,0,0|3,0,0]=4 780 B8R1.7 O=C(Cl)c1cncs1 Amb33329448 [1,0,0,0,0,0|3,0,0]=4 781 B8R1.7 O=C(Cl)c1cocn1 Amb23440854 [1,0,0,0,0,0|2,1,0]=4 782 B8R1.7 O=C(Cl)c1cscn1 Amb8631052 [1,0,0,0,0,0|2,0,0]=3 783 B8R1.7 O=C(Cl)c1csnn1 Amb535502 [1,0,0,0,0,0|3,0,0]=4 784 B8R1.7 O=C(O)C1=CCCC1 Amb3940288 [1,0,0,0,0,0|1,0,2]=4 785 B8R1.7 O=C(O)C1=CCCN1 Amb17593173 [1,0,0,0,0,0|2,0,1]=4 786 B8R1.7 O=C(O)C1=CCCO1 Amb19148920 [1,0,0,0,0,0|2,0,1]=4 787 B8R1.7 O=C(O)C1=CCCS1 Amb18642795 [1,0,0,0,0,0|2,0,1]=4 788 B8R1.7 O=C(O)C1=CCNC1 Amb26017269 [1,0,0,0,0,0|1,0,2]=4 789 B8R1.7 O=C(O)C1=CCOC1 Amb24434391 [1,0,0,0,0,0|0,1,2]=4 790 B8R1.7 O=C(O)C1=CCSC1 Amb18642797 [1,0,0,0,0,0|0,0,2]=3 791 B8R1.7 O=C(O)C1=CN=S=N1 Amb17798585 [1,0,0,0,0,0|2,0,1]=4 792 B8R1.7 O=C(O)C1=COCC1 Amb18124248 [1,0,0,0,0,0|0,1,2]=4 793 B8R1.7 O=C(O)C1=CSCS1 Amb25330178 [1,0,0,0,0,0|1,0,1]=3 794 B8R1.7 O=C(O)C1C=CCC1 Amb18641680 [1,0,0,0,0,0|1,0,2]=4 795 B8R1.7 O=C(O)C1C=CCN1 Amb22899488 [1,0,0,0,0,0|2,0,1]=4 796 B8R1.7 O=C(O)C1C=CCN1 Amb9804432 [1,0,0,0,0,0|2,0,1]=4 797 B8R1.7 O=C(O)C1C=CCO1 Amb18641762 [1,0,0,0,0,0|2,0,1]=4 798 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb16183937 [1,0,0,0,0,0|2,0,1]=4 799 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb22750611 [1,0,0,0,0,0|2,0,1]=4 800 B8R1.7 O=C(O)[C@@H]1CSC=N1 Amb35648199 [1,0,0,0,0,0|1,0,2]=4 801 B8R1.7 O=C(O)[C@H]1C=CCC1 Amb27872028 [1,0,0,0,0,0|1,0,2]=4 802 B8R1.7 O=C(O)[C@H]1C=CCN1 Amb34158387 [1,0,0,0,0,0|2,0,1]=4 803 B8R1.7 O=C(O)[C@H]1CSC=N1 Amb35641724 [1,0,0,0,0,0|1,0,2]=4 804 B8R1.7 O=C(O)[c-]1cccc1 Amb33801890 [1,0,0,0,0,0|1,0,1]=3 805 B8R1.7 O=C(O)[c-]1cccc1 Amb34916034 [1,0,0,0,0,0|1,0,1]=3 806 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [1,0,0,0,0,0|2,0,0]=3 807 B8R1.7 O=C(O)c1ccco1 Amb6335264 [1,0,0,0,0,0|2,0,0]=3 808 B8R1.7 O=C(O)c1cccs1 Amb2690602 [1,0,0,0,0,0|2,0,0]=3 809 B8R1.7 O=C(O)c1ccno1 Amb1152220 [1,0,0,0,0,0|2,0,0]=3 810 B8R1.7 O=C(O)c1ccns1 Amb1091955 [1,0,0,0,0,0|2,0,0]=3 811 B8R1.7 O=C(O)c1ccoc1 Amb2720344 [1,0,0,0,0,0|0,1,0]=2 812 B8R1.7 O=C(O)c1ccon1 Amb8386353 [1,0,0,0,0,0|1,1,0]=3 813 B8R1.7 O=C(O)c1ccsc1 Amb1156673 [1,0,0,0,0,0|0,0,0]=1 814 B8R1.7 O=C(O)c1ccsn1 Amb19894963 [1,0,0,0,0,0|1,0,0]=2 815 B8R1.7 O=C(O)c1cnco1 Amb1158212 [1,0,0,0,0,0|2,0,0]=3 816 B8R1.7 O=C(O)c1cncs1 Amb1158214 [1,0,0,0,0,0|2,0,0]=3 817 B8R1.7 O=C(O)c1cnns1 Amb3319162 [1,0,0,0,0,0|3,0,0]=4 818 B8R1.7 O=C(O)c1cnoc1 Amb8878121 [1,0,0,0,0,0|1,1,0]=3 819 B8R1.7 O=C(O)c1cnon1 Amb6316077 [1,0,0,0,0,0|2,1,0]=4 820 B8R1.7 O=C(O)c1cnsc1 Amb2785373 [1,0,0,0,0,0|1,0,0]=2 821 B8R1.7 O=C(O)c1cnsn1 Amb1091970 [1,0,0,0,0,0|2,0,0]=3 822 B8R1.7 O=C(O)c1cocn1 Amb10071584 [1,0,0,0,0,0|1,1,0]=3 823 B8R1.7 O=C(O)c1conn1 Amb28286788 [1,0,0,0,0,0|2,1,0]=4 824 B8R1.7 O=C(O)c1cscn1 Amb17039667 [1,0,0,0,0,0|1,0,0]=2 825 B8R1.7 O=C(O)c1cscn1 Amb2455731 [1,0,0,0,0,0|1,0,0]=2 826 B8R1.7 O=C(O)c1csnn1 Amb535501 [1,0,0,0,0,0|2,0,0]=3 827 B8R1.7 O=C(O)c1ncco1 Amb8009395 [1,0,0,0,0,0|3,0,0]=4 828 B8R1.7 O=C(O)c1nccs1 Amb6572012 [1,0,0,0,0,0|3,0,0]=4 829 B8R1.7 O=C(O)c1ncno1 Amb8009397 [1,0,0,0,0,0|3,0,0]=4 830 B8R1.7 O=C(O)c1ncns1 Amb18203206 [1,0,0,0,0,0|3,0,0]=4 831 B8R1.7 O=C(O)c1ncon1 Amb8009396 [1,0,0,0,0,0|2,1,0]=4 832 B8R1.7 O=C(O)c1nnco1 Amb21964326 [1,0,0,0,0,0|3,0,0]=4 833 B8R1.7 O=C(O)c1nncs1 Amb20241053 [1,0,0,0,0,0|3,0,0]=4 834 B8R1.7 O=C(O)n1cccc1 Amb17938698 [1,0,0,0,0,0|2,0,0]=3 835 B8R1.7 O=C([O-])c1cccs1 Amb10067272 [1,0,0,0,0,0|2,0,1]=4 836 B8R1.7 O=C([O-])c1cncs1 Amb13951709 [1,0,0,0,0,0|2,0,1]=4 837 B8R1.7 O=C([O-])c1cscn1 Amb13951445 [1,0,0,0,0,0|1,0,1]=3 838 B8R1.7 O=S(Cl)c1ccsc1 Amb27847221 [1,0,0,0,0,0|2,0,0]=3 839 B8R1.7 O=S(O)c1cccs1 Amb18063457 [1,0,0,0,0,0|3,0,0]=4 840 B8R1.7 O=S([O-])c1ccoc1 Amb32755213 [1,0,0,0,0,0|1,1,1]=4 841 B8R1.7 O=S([O-])c1ccsc1 Amb32753980 [1,0,0,0,0,0|1,0,1]=3 842 B8R1.7 O=S([O-])c1cscn1 Amb32754966 [1,0,0,0,0,0|2,0,1]=4 843 B8R1.7 O=[N+]([O-])c1ccoc1 Amb24433237 [1,0,0,0,0,0|1,1,1]=4 844 B8R1.7 O=[N+]([O-])c1ccsc1 Amb2611681 [1,0,0,0,0,0|1,0,1]=3 845 B8R1.7 O=[N+]([O-])c1cnsc1 Amb10975924 [1,0,0,0,0,0|2,0,1]=4 846 B8R1.7 O=[N+]([O-])c1cscn1 Amb28190783 [1,0,0,0,0,0|2,0,1]=4 847 B8R1.7 OB(O)c1ccoc1 Amb2456008 [1,0,0,0,0,0|1,1,1]=4 848 B8R1.7 OB(O)c1ccsc1 Amb2456056 [1,0,0,0,0,0|1,0,1]=3 849 B8R1.7 OB(O)c1cnsc1 Amb22497219 [1,0,0,0,0,0|2,0,1]=4 850 B8R1.7 OB(O)c1cscn1 Amb19958736 [1,0,0,0,0,0|2,0,1]=4 851 B10R1.14 C#CC(=O)c1cnn(C)c1 Amb27170560 [0,1,0,0,0,0|3,0,0]=4 852 B10R1.14 C#CC(=O)c1coc(C)n1 Amb28326171 [0,1,0,0,0,0|2,1,0]=4 853 B10R1.14 C#CC(=O)c1csc(N)n1 Amb33307900 [0,1,0,0,0,0|3,0,0]=4 854 B10R1.14 C#CC(O)c1csc(C)c1 Amb27803396 [0,1,0,0,0,0|1,0,1]=3 855 B10R1.14 C#CC(O)c1csc(C)n1 Amb27981508 [0,1,0,0,0,0|2,0,1]=4 856 B10R1.14 C#C[C@@H](O)c1csc(C)n1 Amb29875553 [0,1,0,0,0,0|2,0,1]=4 857 B10R1.14 C#C[C@H](O)c1csc(C)n1 Amb29874792 [0,1,0,0,0,0|2,0,1]=4 858 B10R1.14 C=C(CBr)c1csc(Br)c1 Amb33433283 [0,1,0,0,0,0|3,0,0]=4 859 B10R1.14 C=C(CBr)c1csc(C)n1 Amb33433780 [0,1,0,0,0,0|3,0,0]=4 860 B10R1.14 C=C(CBr)c1csc(Cl)c1 Amb33331097 [0,1,0,0,0,0|3,0,0]=4 861 B10R1.14 C=C(CCl)c1csc(Br)c1 Amb33433285 [0,1,0,0,0,0|3,0,0]=4 862 B10R1.14 C=C(CN)c1csc(Br)c1 Amb33433263 [0,1,0,0,0,0|3,0,0]=4 863 B10R1.14 C=C(CN)c1csc(C)n1 Amb33415360 [0,1,0,0,0,0|3,0,0]=4 864 B10R1.14 C=CC(=O)c1cc(C)co1 Amb25704272 [0,1,0,0,0,0|3,0,0]=4 865 B10R1.14 C=CC(=O)c1cc(C)cs1 Amb25059734 [0,1,0,0,0,0|3,0,0]=4 866 B10R1.14 C=CC(=O)c1cc(C)no1 Amb33224459 [0,1,0,0,0,0|3,0,0]=4 867 B10R1.14 C=CC(=O)c1cc(C)ns1 Amb27482497 [0,1,0,0,0,0|3,0,0]=4 868 B10R1.14 C=CC(=O)c1cc(C)on1 Amb33317051 [0,1,0,0,0,0|2,1,0]=4 869 B10R1.14 C=CC(=O)c1ccc(C)o1 Amb25717689 [0,1,0,0,0,0|3,0,0]=4 870 B10R1.14 C=CC(=O)c1ccc(C)s1 Amb27780840 [0,1,0,0,0,0|3,0,0]=4 871 B10R1.14 C=CC(=O)c1ccn(C)c1 Amb18063386 [0,1,0,0,0,0|3,0,0]=4 872 B10R1.14 C=CC(=O)c1cnc(C)s1 Amb24504969 [0,1,0,0,0,0|3,0,0]=4 873 B10R1.14 C=CC(=O)c1cnn(C)c1 Amb27615079 [0,1,0,0,0,0|3,0,0]=4 874 B10R1.14 C=CC(=O)c1coc(C)c1 Amb27617011 [0,1,0,0,0,0|1,1,0]=3 875 B10R1.14 C=CC(=O)c1coc(C)n1 Amb27875537 [0,1,0,0,0,0|2,1,0]=4 876 B10R1.14 C=CC(=O)c1csc(Br)c1 Amb25888318 [0,1,0,0,0,0|2,0,0]=3 877 B10R1.14 C=CC(=O)c1csc(Br)n1 Amb33334983 [0,1,0,0,0,0|3,0,0]=4 878 B10R1.14 C=CC(=O)c1csc(C)n1 Amb27593148 [0,1,0,0,0,0|2,0,0]=3 879 B10R1.14 C=CC(=O)c1csc(Cl)c1 Amb26390827 [0,1,0,0,0,0|2,0,0]=3 880 B10R1.14 C=CC(=O)c1csc(N)n1 Amb33307902 [0,1,0,0,0,0|3,0,0]=4 881 B10R1.14 C=CC(N)c1csc(C)c1 Amb27424974 [0,1,0,0,0,0|2,0,1]=4 882 B10R1.14 C=CC(O)c1csc(Br)c1 Amb24576741 [0,1,0,0,0,0|2,0,1]=4 883 B10R1.14 C=CC(O)c1csc(C)n1 Amb25187283 [0,1,0,0,0,0|2,0,1]=4 884 B10R1.14 C=CC(O)c1csc(Cl)c1 Amb27421024 [0,1,0,0,0,0|2,0,1]=4 885 B10R1.14 CC(C=O)c1csc(Br)c1 Amb33433244 [0,1,0,0,0,0|2,0,1]=4 886 B10R1.14 CC(ON)c1csc(Br)c1 Amb33007456 [0,1,0,0,0,0|2,0,1]=4 887 B10R1.14 CCC(=O)C1=CC(=O)SS1 Amb27227263 [0,1,0,0,0,0|3,0,0]=4 888 B10R1.14 CCC(=O)c1cc(C)cs1 Amb24614589 [0,1,0,0,0,0|3,0,0]=4 889 B10R1.14 CCC(=O)c1ccc(C)o1 Amb8514778 [0,1,0,0,0,0|3,0,0]=4 890 B10R1.14 CCC(=O)c1ccc(C)s1 Amb6492833 [0,1,0,0,0,0|3,0,0]=4 891 B10R1.14 CCC(=O)c1ccn(C)c1 Amb18063787 [0,1,0,0,0,0|3,0,0]=4 892 B10R1.14 CCC(=O)c1cnn(C)c1 Amb6890338 [0,1,0,0,0,0|3,0,0]=4 893 B10R1.14 CCC(=O)c1coc(Br)c1 Amb28132156 [0,1,0,0,0,0|2,1,0]=4 894 B10R1.14 CCC(=O)c1coc(C)n1 Amb24423885 [0,1,0,0,0,0|2,1,0]=4 895 B10R1.14 CCC(=O)c1csc(C)n1 Amb27489311 [0,1,0,0,0,0|2,0,0]=3 896 B10R1.14 CCC(=O)c1csc(I)c1 Amb27594801 [0,1,0,0,0,0|2,0,0]=3 897 B10R1.14 CCC(=O)c1csc(N)n1 Amb24725271 [0,1,0,0,0,0|3,0,0]=4 898 B10R1.14 CCC(N)c1csc(C)c1 Amb18830832 [0,1,0,0,0,0|2,0,1]=4 899 B10R1.14 CCC(O)c1csc(C)c1 Amb25889841 [0,1,0,0,0,0|1,0,1]=3 900 B10R1.14 CC[C@@H](O)c1csc(C)n1 Amb29875038 [0,1,0,0,0,0|2,0,1]=4 901 B10R1.14 CC[C@H](O)c1csc(C)n1 Amb29875099 [0,1,0,0,0,0|2,0,1]=4 902 B10R1.14 CNC(=N)c1csc(C)c1 Amb27648062 [0,1,0,0,0,0|2,0,0]=3 903 B10R1.14 CNC(=N)c1csc(C)n1 Amb35622044 [0,1,0,0,0,0|3,0,0]=4 904 B10R1.14 CNC(=O)c1cc(C)on1 Amb20513976 [0,1,0,0,0,0|2,1,0]=4 905 B10R1.14 CNC(=O)c1ccc(C)s1 Amb8333493 [0,1,0,0,0,0|3,0,0]=4 906 B10R1.14 CNC(=O)c1cnc(C)s1 Amb13951240 [0,1,0,0,0,0|3,0,0]=4 907 B10R1.14 CNC(=O)c1coc(Br)c1 Amb8288132 [0,1,0,0,0,0|2,1,0]=4 908 B10R1.14 CNC(=O)c1coc(C)n1 Amb8483753 [0,1,0,0,0,0|2,1,0]=4 909 B10R1.14 CNC(=O)c1csc(Br)c1 Amb9179922 [0,1,0,0,0,0|2,0,0]=3 910 B10R1.14 CNC(=O)c1csc(Br)n1 Amb22001436 [0,1,0,0,0,0|3,0,0]=4 911 B10R1.14 CNC(=O)c1csc(C)c1 Amb27260078 [0,1,0,0,0,0|1,0,0]=2 912 B10R1.14 CNC(=O)c1csc(I)c1 Amb27469303 [0,1,0,0,0,0|2,0,0]=3 913 B10R1.14 CNC(=O)c1csc(N)n1 Amb7173179 [0,1,0,0,0,0|3,0,0]=4 914 B10R1.14 COC(=N)c1cc(C)ns1 Amb35719678 [0,1,0,0,0,0|3,0,0]=4 915 B10R1.14 COC(=N)c1ccc(C)o1 Amb27837594 [0,1,0,0,0,0|3,0,0]=4 916 B10R1.14 COC(=N)c1cnc(C)s1 Amb27617239 [0,1,0,0,0,0|3,0,0]=4 917 B10R1.14 COC(=N)c1csc(Br)c1 Amb27590651 [0,1,0,0,0,0|2,0,0]=3 918 B10R1.14 COC(=O)C1=CC(=O)CC1 Amb22757122 [0,1,0,0,0,0|2,0,1]=4 919 B10R1.14 COC(=O)C1=CC(=O)NN1 Amb22491576 [0,1,0,0,0,0|3,0,0]=4 920 B10R1.14 COC(=O)C1=CC(=O)NO1 Amb22492444 [0,1,0,0,0,0|3,0,0]=4 921 B10R1.14 COC(=O)C1=CC(=O)ON1 Amb27755311 [0,1,0,0,0,0|2,1,0]=4 922 B10R1.14 COC(=O)C1=CC(C)CC1 Amb25337018 [0,1,0,0,0,0|1,0,2]=4 923 B10R1.14 COC(=O)C1=CCC(C)O1 Amb27199808 [0,1,0,0,0,0|2,0,1]=4 924 B10R1.14 COC(=O)C1=CC[C@H](C)C1 Amb26590931 [0,1,0,0,0,0|1,0,2]=4 925 B10R1.14 COC(=O)C1=CNC(=O)N1 Amb21963569 [0,1,0,0,0,0|3,0,0]=4 926 B10R1.14 COC(=O)C1=CNC(=S)O1 Amb25053373 [0,1,0,0,0,0|3,0,0]=4 927 B10R1.14 COC(=O)C1=COC(=O)N1 Amb28126593 [0,1,0,0,0,0|2,1,0]=4 928 B10R1.14 COC(=O)C1=COC(C)O1 Amb24513722 [0,1,0,0,0,0|1,1,1]=4 929 B10R1.14 COC(=O)C1C=C(C)CC1 Amb24527976 [0,1,0,0,0,0|1,0,2]=4 930 B10R1.14 COC(=O)N1=CC=C(C)N1 Amb17778972 [0,1,0,0,0,0|3,0,0]=4 931 B10R1.14 COC(=O)[C@@H]1C=C(C)CN1 Amb28456827 [0,1,0,0,0,0|2,0,1]=4 932 B10R1.14 COC(=O)c1cc(Br)co1 Amb19957913 [0,1,0,0,0,0|3,0,0]=4 933 B10R1.14 COC(=O)c1cc(Br)cs1 Amb21962120 [0,1,0,0,0,0|3,0,0]=4 934 B10R1.14 COC(=O)c1cc(Br)no1 Amb13890622 [0,1,0,0,0,0|3,0,0]=4 935 B10R1.14 COC(=O)c1cc(C)cs1 Amb2691599 [0,1,0,0,0,0|2,0,0]=3 936 B10R1.14 COC(=O)c1cc(C)no1 Amb10242607 [0,1,0,0,0,0|2,0,0]=3 937 B10R1.14 COC(=O)c1cc(C)ns1 Amb28344663 [0,1,0,0,0,0|2,0,0]=3 938 B10R1.14 COC(=O)c1cc(C)on1 Amb6356377 [0,1,0,0,0,0|1,1,0]=3 939 B10R1.14 COC(=O)c1cc(Cl)co1 Amb23537732 [0,1,0,0,0,0|3,0,0]=4 940 B10R1.14 COC(=O)c1cc(Cl)cs1 Amb21857119 [0,1,0,0,0,0|3,0,0]=4 941 B10R1.14 COC(=O)c1cc(Cl)no1 Amb23571238 [0,1,0,0,0,0|3,0,0]=4 942 B10R1.14 COC(=O)c1cc(F)cs1 Amb22490427 [0,1,0,0,0,0|3,0,0]=4 943 B10R1.14 COC(=O)c1cc(I)on1 Amb33098558 [0,1,0,0,0,0|2,1,0]=4 944 B10R1.14 COC(=O)c1cc(I)sn1 Amb32685271 [0,1,0,0,0,0|2,0,0]=3 945 B10R1.14 COC(=O)c1cc(N)cs1 Amb18644914 [0,1,0,0,0,0|3,0,0]=4 946 B10R1.14 COC(=O)c1cc(N)no1 Amb22498183 [0,1,0,0,0,0|3,0,0]=4 947 B10R1.14 COC(=O)c1cc(N)on1 Amb22498456 [0,1,0,0,0,0|2,1,0]=4 948 B10R1.14 COC(=O)c1cc(O)cs1 Amb23509310 [0,1,0,0,0,0|3,0,0]=4 949 B10R1.14 COC(=O)c1cc(O)no1 Amb2722495 [0,1,0,0,0,0|3,0,0]=4 950 B10R1.14 COC(=O)c1cc(O)ns1 Amb17617483 [0,1,0,0,0,0|3,0,0]=4 951 B10R1.14 COC(=O)c1ccc(Br)o1 Amb6346290 [0,1,0,0,0,0|3,0,0]=4 952 B10R1.14 COC(=O)c1ccc(Br)s1 Amb33531511 [0,1,0,0,0,0|3,0,0]=4 953 B10R1.14 COC(=O)c1ccc(C)o1 Amb843218 [0,1,0,0,0,0|2,0,0]=3 954 B10R1.14 COC(=O)c1ccc(C)s1 Amb9241848 [0,1,0,0,0,0|2,0,0]=3 955 B10R1.14 COC(=O)c1ccc(Cl)o1 Amb4012098 [0,1,0,0,0,0|3,0,0]=4 956 B10R1.14 COC(=O)c1ccc(Cl)s1 Amb33529812 [0,1,0,0,0,0|3,0,0]=4 957 B10R1.14 COC(=O)c1ccc(F)o1 Amb25882154 [0,1,0,0,0,0|3,0,0]=4 958 B10R1.14 COC(=O)c1ccc(F)s1 Amb24269173 [0,1,0,0,0,0|3,0,0]=4 959 B10R1.14 COC(=O)c1ccc(I)o1 Amb24524315 [0,1,0,0,0,0|3,0,0]=4 960 B10R1.14 COC(=O)c1ccc(I)s1 Amb22727984 [0,1,0,0,0,0|3,0,0]=4 961 B10R1.14 COC(=O)c1ccc(N)o1 Amb1131133 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.14 COC(=O)c1ccc(N)s1 Amb1092582 [0,1,0,0,0,0|3,0,0]=4 963 B10R1.14 COC(=O)c1ccc(N)s1 Amb7067178 [0,1,0,0,0,0|3,0,0]=4 964 B10R1.14 COC(=O)c1ccc(O)o1 Amb24642814 [0,1,0,0,0,0|3,0,0]=4 965 B10R1.14 COC(=O)c1ccc(O)s1 Amb24518783 [0,1,0,0,0,0|3,0,0]=4 966 B10R1.14 COC(=O)c1ccc(S)s1 Amb26887469 [0,1,0,0,0,0|3,0,0]=4 967 B10R1.14 COC(=O)c1ccn(C)c1 Amb22971299 [0,1,0,0,0,0|2,0,0]=3 968 B10R1.14 COC(=O)c1ccn(C)n1 Amb1946067 [0,1,0,0,0,0|3,0,0]=4 969 B10R1.14 COC(=O)c1ccn(N)c1 Amb26012751 [0,1,0,0,0,0|3,0,0]=4 970 B10R1.14 COC(=O)c1cn(C)cn1 Amb2723071 [0,1,0,0,0,0|3,0,0]=4 971 B10R1.14 COC(=O)c1cn(C)nn1 Amb17935899 [0,1,0,0,0,0|3,0,0]=4 972 B10R1.14 COC(=O)c1cnc(Br)o1 Amb10067559 [0,1,0,0,0,0|3,0,0]=4 973 B10R1.14 COC(=O)c1cnc(Br)s1 Amb2455725 [0,1,0,0,0,0|3,0,0]=4 974 B10R1.14 COC(=O)c1cnc(C)o1 Amb10067441 [0,1,0,0,0,0|2,0,0]=3 975 B10R1.14 COC(=O)c1cnc(C)s1 Amb13951757 [0,1,0,0,0,0|2,0,0]=3 976 B10R1.14 COC(=O)c1cnc(Cl)o1 Amb10067281 [0,1,0,0,0,0|3,0,0]=4 977 B10R1.14 COC(=O)c1cnc(Cl)s1 Amb2455950 [0,1,0,0,0,0|3,0,0]=4 978 B10R1.14 COC(=O)c1cnc(I)s1 Amb27867379 [0,1,0,0,0,0|3,0,0]=4 979 B10R1.14 COC(=O)c1cnc(N)o1 Amb10067280 [0,1,0,0,0,0|3,0,0]=4 980 B10R1.14 COC(=O)c1cnc(N)s1 Amb1156679 [0,1,0,0,0,0|3,0,0]=4 981 B10R1.14 COC(=O)c1cnc(O)s1 Amb24329330 [0,1,0,0,0,0|3,0,0]=4 982 B10R1.14 COC(=O)c1cnc(S)s1 Amb28203005 [0,1,0,0,0,0|3,0,0]=4 983 B10R1.14 COC(=O)c1cnn(C)c1 Amb33531537 [0,1,0,0,0,0|2,0,0]=3 984 B10R1.14 COC(=O)c1cnn(C)n1 Amb17935900 [0,1,0,0,0,0|3,0,0]=4 985 B10R1.14 COC(=O)c1cnn(N)c1 Amb22497975 [0,1,0,0,0,0|3,0,0]=4 986 B10R1.14 COC(=O)c1coc(Br)c1 Amb28368399 [0,1,0,0,0,0|1,1,0]=3 987 B10R1.14 COC(=O)c1coc(Br)n1 Amb10067558 [0,1,0,0,0,0|2,1,0]=4 988 B10R1.14 COC(=O)c1coc(C)c1 Amb10602956 [0,1,0,0,0,0|0,1,0]=2 989 B10R1.14 COC(=O)c1coc(C)n1 Amb6307240 [0,1,0,0,0,0|1,1,0]=3 990 B10R1.14 COC(=O)c1coc(Cl)c1 Amb27829260 [0,1,0,0,0,0|1,1,0]=3 991 B10R1.14 COC(=O)c1coc(Cl)n1 Amb2455956 [0,1,0,0,0,0|2,1,0]=4 992 B10R1.14 COC(=O)c1coc(I)c1 Amb23590334 [0,1,0,0,0,0|1,1,0]=3 993 B10R1.14 COC(=O)c1coc(I)n1 Amb23412127 [0,1,0,0,0,0|2,1,0]=4 994 B10R1.14 COC(=O)c1coc(N)n1 Amb10067339 [0,1,0,0,0,0|2,1,0]=4 995 B10R1.14 COC(=O)c1csc(Br)c1 Amb10713160 [0,1,0,0,0,0|1,0,0]=2 996 B10R1.14 COC(=O)c1csc(Br)n1 Amb2455724 [0,1,0,0,0,0|2,0,0]=3 997 B10R1.14 COC(=O)c1csc(C)c1 Amb6497731 [0,1,0,0,0,0|0,0,0]=1 998 B10R1.14 COC(=O)c1csc(C)n1 Amb10067299 [0,1,0,0,0,0|1,0,0]=2 999 B10R1.14 COC(=O)c1csc(Cl)c1 Amb22406099 [0,1,0,0,0,0|1,0,0]=2 1000 B10R1.14 COC(=O)c1csc(Cl)n1 Amb10067341 [0,1,0,0,0,0|2,0,0]=3 1001 B10R1.14 COC(=O)c1csc(F)n1 Amb25889985 [0,1,0,0,0,0|2,0,0]=3 1002 B10R1.14 COC(=O)c1csc(I)c1 Amb19367412 [0,1,0,0,0,0|1,0,0]=2 1003 B10R1.14 COC(=O)c1csc(I)n1 Amb25351746 [0,1,0,0,0,0|2,0,0]=3 1004 B10R1.14 COC(=O)c1csc(N)c1 Amb18967015 [0,1,0,0,0,0|1,0,0]=2 1005 B10R1.14 COC(=O)c1csc(N)n1 Amb4460545 [0,1,0,0,0,0|2,0,0]=3 1006 B10R1.14 COC(=O)c1csc(O)c1 Amb33142319 [0,1,0,0,0,0|1,0,0]=2 1007 B10R1.14 COC(=O)c1csc(O)n1 Amb27985486 [0,1,0,0,0,0|2,0,0]=3 1008 B10R1.14 COC(=O)c1csc(S)c1 Amb26017474 [0,1,0,0,0,0|1,0,0]=2 1009 B10R1.14 COC(=O)c1csc(S)n1 Amb27424799 [0,1,0,0,0,0|2,0,0]=3 1010 B10R1.14 COC(=O)c1nc(C)cs1 Amb5759011 [0,1,0,0,0,0|3,0,0]=4 1011 B10R1.14 COC(=O)c1nc(C)no1 Amb33715387 [0,1,0,0,0,0|3,0,0]=4 1012 B10R1.14 COC(=O)c1nc(C)ns1 Amb22886643 [0,1,0,0,0,0|3,0,0]=4 1013 B10R1.14 COC(=O)c1ncc(C)o1 Amb22496621 [0,1,0,0,0,0|3,0,0]=4 1014 B10R1.14 COC(=O)c1ncc(C)s1 Amb8438908 [0,1,0,0,0,0|3,0,0]=4 1015 B10R1.14 COC(=O)c1nnc(C)o1 Amb21963513 [0,1,0,0,0,0|3,0,0]=4 1016 B10R1.14 COC(=O)c1nsc(Br)n1 Amb33744029 [0,1,0,0,0,0|3,0,0]=4 1017 B10R1.14 COC(=O)c1nsc(Cl)n1 Amb33482990 [0,1,0,0,0,0|3,0,0]=4 1018 B10R1.14 COC(=O)c1nsc(N)n1 Amb22395025 [0,1,0,0,0,0|3,0,0]=4 1019 B10R1.14 COC(=O)n1ccc(C)n1 Amb17778926 [0,1,0,0,0,0|3,0,0]=4 1020 B10R1.14 C\C(=N/N)c1csc(C)c1 Amb27829369 [0,1,0,0,0,0|2,0,0]=3 1021 B10R1.14 C\C(=N/O)c1ccc(C)o1 Amb399607 [0,1,0,0,0,0|3,0,0]=4 1022 B10R1.14 C\C(=N/O)c1cnn(C)c1 Amb25887543 [0,1,0,0,0,0|3,0,0]=4 1023 B10R1.14 C\C(=N\O)c1ccc(C)o1 Amb27243794 [0,1,0,0,0,0|3,0,0]=4 1024 B10R1.14 C\C(=N\O)c1ccc(C)s1 Amb4013509 [0,1,0,0,0,0|3,0,0]=4 1025 B10R1.14 C\C(=N\O)c1cnn(C)c1 Amb13951603 [0,1,0,0,0,0|3,0,0]=4 1026 B10R1.14 C\C=C(\C)c1csc(Br)c1 Amb27471305 [0,1,0,0,0,0|3,0,0]=4 1027 B10R1.14 Cc1cc(C(=O)CBr)cs1 Amb28323895 [0,1,0,0,0,0|1,0,0]=2 1028 B10R1.14 Cc1cc(C(=O)CBr)no1 Amb20620531 [0,1,0,0,0,0|2,1,0]=4 1029 B10R1.14 Cc1cc(C(=O)CBr)on1 Amb19958725 [0,1,0,0,0,0|3,0,0]=4 1030 B10R1.14 Cc1cc(C(=O)CBr)sn1 Amb28348469 [0,1,0,0,0,0|3,0,0]=4 1031 B10R1.14 Cc1cc(C(=O)CCl)no1 Amb22395331 [0,1,0,0,0,0|2,1,0]=4 1032 B10R1.14 Cc1cc(C(=O)CCl)on1 Amb26550295 [0,1,0,0,0,0|3,0,0]=4 1033 B10R1.14 Cc1cc(C(=O)CN)co1 Amb27822884 [0,1,0,0,0,0|1,1,0]=3 1034 B10R1.14 Cc1cc(C(=O)CN)cs1 Amb26392128 [0,1,0,0,0,0|1,0,0]=2 1035 B10R1.14 Cc1cc(C(=O)CN)no1 Amb18202899 [0,1,0,0,0,0|2,1,0]=4 1036 B10R1.14 Cc1cc(C(=O)CN)on1 Amb18202900 [0,1,0,0,0,0|3,0,0]=4 1037 B10R1.14 Cc1cc(C(=O)CN)sn1 Amb27162874 [0,1,0,0,0,0|3,0,0]=4 1038 B10R1.14 Cc1cc(C(=O)NN)cs1 Amb6497955 [0,1,0,0,0,0|1,0,0]=2 1039 B10R1.14 Cc1cc(C(=O)NN)no1 Amb2154725 [0,1,0,0,0,0|2,1,0]=4 1040 B10R1.14 Cc1cc(C(=O)NN)on1 Amb10608513 [0,1,0,0,0,0|3,0,0]=4 1041 B10R1.14 Cc1cc(C(=O)NN)sn1 Amb26641499 [0,1,0,0,0,0|3,0,0]=4 1042 B10R1.14 Cc1cc(C(=O)NO)co1 Amb27170849 [0,1,0,0,0,0|0,1,0]=2 1043 B10R1.14 Cc1cc(C(=O)NO)cs1 Amb28455030 [0,1,0,0,0,0|0,0,0]=1 1044 B10R1.14 Cc1cc(C(C)C#N)cs1 Amb27427362 [0,1,0,0,0,0|2,0,1]=4 1045 B10R1.14 Cc1cc(C(C)CN)cs1 Amb18830834 [0,1,0,0,0,0|2,0,1]=4 1046 B10R1.14 Cc1cc(C(C)NN)cs1 Amb28073792 [0,1,0,0,0,0|2,0,1]=4 1047 B10R1.14 Cc1cc(C(N)C#N)cs1 Amb28255263 [0,1,0,0,0,0|2,0,1]=4 1048 B10R1.14 Cc1cc(C(O)CCl)cs1 Amb27186998 [0,1,0,0,0,0|1,0,1]=3 1049 B10R1.14 Cc1cc(C(O)CN)cs1 Amb26323745 [0,1,0,0,0,0|1,0,1]=3 1050 B10R1.14 Cc1cc([C@@H](N)CN)cs1 Amb27786466 [0,1,0,0,0,0|2,0,1]=4 1051 B10R1.14 Cc1cc([C@@H](N)CO)cs1 Amb27795995 [0,1,0,0,0,0|1,0,1]=3 1052 B10R1.14 Cc1cc([C@@H](O)CCl)cs1 Amb28253359 [0,1,0,0,0,0|1,0,1]=3 1053 B10R1.14 Cc1cc([C@@H](O)CN)cs1 Amb26910215 [0,1,0,0,0,0|1,0,1]=3 1054 B10R1.14 Cc1cc([C@H](N)CN)cs1 Amb27175388 [0,1,0,0,0,0|2,0,1]=4 1055 B10R1.14 Cc1cc([C@H](N)CO)cs1 Amb28126938 [0,1,0,0,0,0|1,0,1]=3 1056 B10R1.14 Cc1cc([C@H](O)CN)cs1 Amb25177909 [0,1,0,0,0,0|1,0,1]=3 1057 B10R1.14 Cc1cc(\C(Cl)=N\O)cs1 Amb27823040 [0,1,0,0,0,0|1,0,0]=2 1058 B10R1.14 Cc1cc(\C(N)=N\O)cs1 Amb27823036 [0,1,0,0,0,0|1,0,0]=2 1059 B10R1.14 Cc1cc(\C(N)=N\O)no1 Amb4477418 [0,1,0,0,0,0|2,1,0]=4 1060 B10R1.14 Cc1cc(\C(N)=N\O)sn1 Amb29852031 [0,1,0,0,0,0|3,0,0]=4 1061 B10R1.14 Cc1ccc(C(=O)C=O)o1 Amb28145937 [0,1,0,0,0,0|2,0,1]=4 1062 B10R1.14 Cc1ccc(C(=O)CBr)o1 Amb19516417 [0,1,0,0,0,0|3,0,0]=4 1063 B10R1.14 Cc1ccc(C(=O)CBr)s1 Amb33528811 [0,1,0,0,0,0|3,0,0]=4 1064 B10R1.14 Cc1ccc(C(=O)CCl)o1 Amb9870401 [0,1,0,0,0,0|3,0,0]=4 1065 B10R1.14 Cc1ccc(C(=O)CCl)s1 Amb433074 [0,1,0,0,0,0|3,0,0]=4 1066 B10R1.14 Cc1ccc(C(=O)CN)o1 Amb18832120 [0,1,0,0,0,0|3,0,0]=4 1067 B10R1.14 Cc1ccc(C(=O)CN)s1 Amb18644749 [0,1,0,0,0,0|3,0,0]=4 1068 B10R1.14 Cc1ccc(C(=O)CO)o1 Amb26627260 [0,1,0,0,0,0|2,0,0]=3 1069 B10R1.14 Cc1ccc(C(=O)CO)s1 Amb5638998 [0,1,0,0,0,0|2,0,0]=3 1070 B10R1.14 Cc1ccc(C(=O)NN)o1 Amb843223 [0,1,0,0,0,0|3,0,0]=4 1071 B10R1.14 Cc1ccc(C(=O)NN)s1 Amb6537515 [0,1,0,0,0,0|3,0,0]=4 1072 B10R1.14 Cc1ccc(C(=O)NO)s1 Amb6271284 [0,1,0,0,0,0|2,0,0]=3 1073 B10R1.14 Cc1ccc(\C(N)=N/O)o1 Amb20527643 [0,1,0,0,0,0|3,0,0]=4 1074 B10R1.14 Cc1ccc(\C(N)=N\O)o1 Amb22587402 [0,1,0,0,0,0|3,0,0]=4 1075 B10R1.14 Cc1ccc(\C(N)=N\O)o1 Amb8834101 [0,1,0,0,0,0|3,0,0]=4 1076 B10R1.14 Cc1ccc(\C(N)=N\O)s1 Amb8834108 [0,1,0,0,0,0|3,0,0]=4 1077 B10R1.14 Cc1coc(C(=O)C#N)c1 Amb28434329 [0,1,0,0,0,0|3,0,0]=4 1078 B10R1.14 Cc1coc(C(=O)CN)c1 Amb18832119 [0,1,0,0,0,0|3,0,0]=4 1079 B10R1.14 Cc1csc(C(=O)CCl)c1 Amb22395270 [0,1,0,0,0,0|3,0,0]=4 1080 B10R1.14 Cc1csc(C(=O)CN)c1 Amb18200378 [0,1,0,0,0,0|3,0,0]=4 1081 B10R1.14 Cc1csc(C(=O)NN)c1 Amb2738050 [0,1,0,0,0,0|3,0,0]=4 1082 B10R1.14 Cc1csc(C(=O)NO)c1 Amb27185760 [0,1,0,0,0,0|2,0,0]=3 1083 B10R1.14 Cc1csc(\C(N)=N\O)c1 Amb2691605 [0,1,0,0,0,0|3,0,0]=4 1084 B10R1.14 Cc1nc(C(=O)CBr)cs1 Amb24106263 [0,1,0,0,0,0|2,0,0]=3 1085 B10R1.14 Cc1nc(C(=O)CCl)cs1 Amb17506260 [0,1,0,0,0,0|2,0,0]=3 1086 B10R1.14 Cc1nc(C(=O)CN)cs1 Amb18830756 [0,1,0,0,0,0|2,0,0]=3 1087 B10R1.14 Cc1nc(C(=O)CN)cs1 Amb33299320 [0,1,0,0,0,0|2,0,0]=3 1088 B10R1.14 Cc1nc(C(=O)NN)co1 Amb8483751 [0,1,0,0,0,0|2,1,0]=4 1089 B10R1.14 Cc1nc(C(=O)NN)cs1 Amb2689716 [0,1,0,0,0,0|2,0,0]=3 1090 B10R1.14 Cc1nc(C(C)C=O)cs1 Amb33226479 [0,1,0,0,0,0|2,0,1]=4 1091 B10R1.14 Cc1nc(C(C)ON)cs1 Amb33415766 [0,1,0,0,0,0|2,0,1]=4 1092 B10R1.14 Cc1nc(C(N)CO)cs1 Amb18830452 [0,1,0,0,0,0|2,0,1]=4 1093 B10R1.14 Cc1nc(C(O)CBr)cs1 Amb33433769 [0,1,0,0,0,0|2,0,1]=4 1094 B10R1.14 Cc1nc(C(O)CF)cs1 Amb33415363 [0,1,0,0,0,0|2,0,1]=4 1095 B10R1.14 Cc1nc(C(O)CN)cs1 Amb9703881 [0,1,0,0,0,0|2,0,1]=4 1096 B10R1.14 Cc1nc(C(O)CO)cs1 Amb27865221 [0,1,0,0,0,0|1,0,2]=4 1097 B10R1.14 Cc1nc([C@@H](N)CO)cs1 Amb28193262 [0,1,0,0,0,0|2,0,1]=4 1098 B10R1.14 Cc1nc([C@@H](O)CN)cs1 Amb33415778 [0,1,0,0,0,0|2,0,1]=4 1099 B10R1.14 Cc1nc([C@H](N)CO)cs1 Amb27470288 [0,1,0,0,0,0|2,0,1]=4 1100 B10R1.14 Cc1nc([C@H](O)CN)cs1 Amb33415777 [0,1,0,0,0,0|2,0,1]=4 1101 B10R1.14 Cc1nc(\C(N)=N\O)co1 Amb27864206 [0,1,0,0,0,0|2,1,0]=4 1102 B10R1.14 Cc1nc(\C(N)=N\O)cs1 Amb2771006 [0,1,0,0,0,0|2,0,0]=3 1103 B10R1.14 Cc1ncc(C(=O)CBr)s1 Amb27598847 [0,1,0,0,0,0|3,0,0]=4 1104 B10R1.14 Cc1ncc(C(=O)CCl)s1 Amb27980750 [0,1,0,0,0,0|3,0,0]=4 1105 B10R1.14 Cc1ncc(C(=O)CN)s1 Amb18830754 [0,1,0,0,0,0|3,0,0]=4 1106 B10R1.14 Cc1ncc(C(=O)NN)s1 Amb18255500 [0,1,0,0,0,0|3,0,0]=4 1107 B10R1.14 Cc1ncc(C(O)C=O)s1 Amb35647816 [0,1,0,0,0,0|2,0,1]=4 1108 B10R1.14 Cn1cc(C(=O)CBr)cn1 Amb15749095 [0,1,0,0,0,0|3,0,0]=4 1109 B10R1.14 Cn1cc(C(=O)CBr)cn1 Amb8838037 [0,1,0,0,0,0|3,0,0]=4 1110 B10R1.14 Cn1cc(C(=O)CCl)cn1 Amb33531454 [0,1,0,0,0,0|3,0,0]=4 1111 B10R1.14 Cn1cc(C(=O)CF)cn1 Amb33331010 [0,1,0,0,0,0|3,0,0]=4 1112 B10R1.14 Cn1cc(C(=O)CN)cn1 Amb18832076 [0,1,0,0,0,0|3,0,0]=4 1113 B10R1.14 Cn1cc(C(=O)CN)cn1 Amb32683550 [0,1,0,0,0,0|3,0,0]=4 1114 B10R1.14 Cn1cc(C(=O)CN)cn1 Amb32684922 [0,1,0,0,0,0|3,0,0]=4 1115 B10R1.14 Cn1cc(C(=O)CO)cn1 Amb23536450 [0,1,0,0,0,0|2,0,0]=3 1116 B10R1.14 Cn1cc(C(=O)NN)cn1 Amb1945631 [0,1,0,0,0,0|3,0,0]=4 1117 B10R1.14 Cn1cc(C(=O)NO)cn1 Amb6739818 [0,1,0,0,0,0|2,0,0]=3 1118 B10R1.14 Cn1cc(\C(Cl)=N\O)cn1 Amb33307122 [0,1,0,0,0,0|3,0,0]=4 1119 B10R1.14 Cn1cc(\C(N)=N\O)cn1 Amb8834111 [0,1,0,0,0,0|3,0,0]=4 1120 B10R1.14 Cn1ccc(C(=O)CBr)c1 Amb18864495 [0,1,0,0,0,0|3,0,0]=4 1121 B10R1.14 Cn1ccc(C(=O)CCl)c1 Amb416266 [0,1,0,0,0,0|3,0,0]=4 1122 B10R1.14 Cn1ccc(C(=O)CN)c1 Amb18063871 [0,1,0,0,0,0|3,0,0]=4 1123 B10R1.14 Cn1ccc(C(=O)NO)c1 Amb27764584 [0,1,0,0,0,0|2,0,0]=3 1124 B10R1.14 NC(CO)c1csc(Br)c1 Amb25123294 [0,1,0,0,0,0|2,0,1]=4 1125 B10R1.14 NC(CO)c1csc(Cl)c1 Amb24478127 [0,1,0,0,0,0|2,0,1]=4 1126 B10R1.14 NCC(=O)c1csc(Br)c1 Amb27978815 [0,1,0,0,0,0|2,0,0]=3 1127 B10R1.14 NCC(=O)c1csc(Br)n1 Amb33334922 [0,1,0,0,0,0|3,0,0]=4 1128 B10R1.14 NCC(O)c1csc(Br)c1 Amb28064551 [0,1,0,0,0,0|2,0,1]=4 1129 B10R1.14 NCC(O)c1csc(Cl)c1 Amb26597061 [0,1,0,0,0,0|2,0,1]=4 1130 B10R1.14 NC[C@@H](O)c1csc(Br)c1 Amb33432927 [0,1,0,0,0,0|2,0,1]=4 1131 B10R1.14 NC[C@@H](O)c1csc(Cl)c1 Amb25783316 [0,1,0,0,0,0|2,0,1]=4 1132 B10R1.14 NC[C@H](O)c1csc(Br)c1 Amb33263418 [0,1,0,0,0,0|2,0,1]=4 1133 B10R1.14 NC[C@H](O)c1csc(Cl)c1 Amb25340760 [0,1,0,0,0,0|2,0,1]=4 1134 B10R1.14 NNC(=O)c1csc(N)n1 Amb1987313 [0,1,0,0,0,0|3,0,0]=4 1135 B10R1.14 N[C@@H](CO)c1csc(Br)c1 Amb25733004 [0,1,0,0,0,0|2,0,1]=4 1136 B10R1.14 N[C@@H](CO)c1csc(Cl)c1 Amb28126765 [0,1,0,0,0,0|2,0,1]=4 1137 B10R1.14 N[C@@H](CO)c1csc(O)c1 Amb27488281 [0,1,0,0,0,0|2,0,1]=4 1138 B10R1.14 N[C@H](CO)c1csc(Br)c1 Amb24523078 [0,1,0,0,0,0|2,0,1]=4 1139 B10R1.14 N[C@H](CO)c1csc(Cl)c1 Amb26646830 [0,1,0,0,0,0|2,0,1]=4 1140 B10R1.14 N[C@H](CO)c1csc(O)c1 Amb27254508 [0,1,0,0,0,0|2,0,1]=4 1141 B10R1.14 N\N=C(/N)c1csc(Br)c1 Amb27598031 [0,1,0,0,0,0|3,0,0]=4 1142 B10R1.14 N\N=C(/N)c1csc(I)c1 Amb27659633 [0,1,0,0,0,0|3,0,0]=4 1143 B10R1.14 Nc1nc(C(=O)CBr)cs1 Amb27605405 [0,1,0,0,0,0|3,0,0]=4 1144 B10R1.14 Nc1nc(C(=O)CCl)cs1 Amb17506262 [0,1,0,0,0,0|3,0,0]=4 1145 B10R1.14 Nc1nc(C(=O)CCl)cs1 Amb32718706 [0,1,0,0,0,0|3,0,0]=4 1146 B10R1.14 Nc1nc(C(=O)CO)cs1 Amb27455695 [0,1,0,0,0,0|2,0,0]=3 1147 B10R1.14 O=C(CBr)c1coc(Br)c1 Amb27843236 [0,1,0,0,0,0|2,1,0]=4 1148 B10R1.14 O=C(CBr)c1csc(Br)n1 Amb28049366 [0,1,0,0,0,0|3,0,0]=4 1149 B10R1.14 O=C(CCl)c1csc(Br)c1 Amb25058730 [0,1,0,0,0,0|2,0,0]=3 1150 B10R1.14 O=C(CCl)c1csc(Br)n1 Amb33335856 [0,1,0,0,0,0|3,0,0]=4 1151 B10R1.14 O=C(CCl)c1csc(Cl)c1 Amb25129629 [0,1,0,0,0,0|2,0,0]=3 1152 B10R1.14 O=C(CCl)c1csc(I)c1 Amb27954786 [0,1,0,0,0,0|2,0,0]=3 1153 B10R1.14 O=C(CCl)c1csc(O)n1 Amb35719120 [0,1,0,0,0,0|3,0,0]=4 1154 B10R1.14 O=C(CO)c1cc(Br)cs1 Amb18570787 [0,1,0,0,0,0|3,0,0]=4 1155 B10R1.14 O=C(CO)c1ccc(Br)s1 Amb27617061 [0,1,0,0,0,0|3,0,0]=4 1156 B10R1.14 O=C(NO)c1cc(O)cs1 Amb27762310 [0,1,0,0,0,0|3,0,0]=4 1157 B10R1.14 O=C(NO)c1ccc(Br)o1 Amb6258736 [0,1,0,0,0,0|3,0,0]=4 1158 B10R1.14 O=C(NO)c1ccc(Br)s1 Amb2330556 [0,1,0,0,0,0|3,0,0]=4 1159 B10R1.14 O=C(NO)c1coc(Br)c1 Amb27827001 [0,1,0,0,0,0|1,1,0]=3 1160 B10R1.14 OC(CBr)c1csc(Br)c1 Amb33433249 [0,1,0,0,0,0|2,0,1]=4 1161 B10R1.14 OC(CBr)c1csc(Cl)c1 Amb26630073 [0,1,0,0,0,0|2,0,1]=4 1162 B10R1.14 OC(CCl)c1csc(Br)c1 Amb33433247 [0,1,0,0,0,0|2,0,1]=4 1163 B10R1.14 OC(CCl)c1csc(Cl)c1 Amb27823203 [0,1,0,0,0,0|2,0,1]=4 1164 B10R1.14 OC(CF)c1csc(Br)c1 Amb33433251 [0,1,0,0,0,0|2,0,1]=4 1165 B10R1.14 OCC(O)c1csc(Br)c1 Amb25266918 [0,1,0,0,0,0|1,0,2]=4 1166 B10R1.31 C#Cc1cc(C(=O)O)co1 Amb28201721 [0,1,0,0,0,0|0,1,1]=3 1167 B10R1.31 C#Cc1cc(C(=O)O)cs1 Amb27806165 [0,1,0,0,0,0|0,0,1]=2 1168 B10R1.31 C#Cc1cc(C(=O)O)no1 Amb27763010 [0,1,0,0,0,0|1,1,1]=4 1169 B10R1.31 C#Cc1ccc(C(=O)O)o1 Amb23580740 [0,1,0,0,0,0|2,0,1]=4 1170 B10R1.31 C#Cc1csc(C(=O)O)c1 Amb23598967 [0,1,0,0,0,0|2,0,1]=4 1171 B10R1.31 C#Cc1nc(C(N)=O)cs1 Amb24480504 [0,1,0,0,0,0|2,0,1]=4 1172 B10R1.31 C=C(C)c1csc(C#N)c1 Amb27853102 [0,1,0,0,0,0|2,0,1]=4 1173 B10R1.31 C=Cc1ccc(C(=O)O)s1 Amb27606833 [0,1,0,0,0,0|2,0,1]=4 1174 B10R1.31 C=Cc1csc(C(=O)O)c1 Amb32682054 [0,1,0,0,0,0|2,0,1]=4 1175 B10R1.31 C=Cc1nc(C(=O)O)co1 Amb27473286 [0,1,0,0,0,0|1,1,1]=4 1176 B10R1.31 C=Cc1nc(C(=O)O)cs1 Amb10071216 [0,1,0,0,0,0|1,0,1]=3 1177 B10R1.31 C=Cn1cc(C(=O)O)cn1 Amb10608095 [0,1,0,0,0,0|2,0,1]=4 1178 B10R1.31 CC(=O)c1cc(CBr)on1 Amb25701862 [0,1,0,0,0,0|2,1,0]=4 1179 B10R1.31 CC(=O)c1cc(CCl)cs1 Amb1102125 [0,1,0,0,0,0|3,0,0]=4 1180 B10R1.31 CC(=O)c1cc(CCl)on1 Amb26329986 [0,1,0,0,0,0|2,1,0]=4 1181 B10R1.31 CC(=O)c1cc(CN)cs1 Amb27959069 [0,1,0,0,0,0|3,0,0]=4 1182 B10R1.31 CC(=O)c1cc(CO)cs1 Amb1102124 [0,1,0,0,0,0|3,0,0]=4 1183 B10R1.31 CC(=O)c1cc(CO)on1 Amb23440969 [0,1,0,0,0,0|2,1,0]=4 1184 B10R1.31 CC(=O)c1ccc(CN)o1 Amb18202974 [0,1,0,0,0,0|3,0,0]=4 1185 B10R1.31 CC(=O)c1ccc(CN)o1 Amb33447088 [0,1,0,0,0,0|3,0,0]=4 1186 B10R1.31 CC(=O)c1ccc(CN)s1 Amb18830875 [0,1,0,0,0,0|3,0,0]=4 1187 B10R1.31 CC(=O)c1cnc(CN)s1 Amb33132706 [0,1,0,0,0,0|3,0,0]=4 1188 B10R1.31 CC(=O)c1cnc(CO)s1 Amb28200329 [0,1,0,0,0,0|3,0,0]=4 1189 B10R1.31 CC(=O)c1coc(CN)c1 Amb33447084 [0,1,0,0,0,0|1,1,0]=3 1190 B10R1.31 CC(=O)c1coc(CO)n1 Amb26451255 [0,1,0,0,0,0|2,1,0]=4 1191 B10R1.31 CC(=O)c1csc(C#N)n1 Amb26642968 [0,1,0,0,0,0|2,0,1]=4 1192 B10R1.31 CC(=O)c1csc(CN)n1 Amb25727128 [0,1,0,0,0,0|2,0,0]=3 1193 B10R1.31 CC(=O)c1csc(CO)c1 Amb28255597 [0,1,0,0,0,0|1,0,0]=2 1194 B10R1.31 CC(O)c1csc(CN)n1 Amb27198480 [0,1,0,0,0,0|2,0,1]=4 1195 B10R1.31 CCC1=CCC(C(N)=O)=C1 Amb28054862 [0,1,0,0,0,0|2,0,1]=4 1196 B10R1.31 CCC1=NC(C(=O)O)CS1 Amb24529169 [0,1,0,0,0,0|1,0,2]=4 1197 B10R1.31 CCC1=N[C@@H](C(=O)O)CS1 Amb32676212 [0,1,0,0,0,0|1,0,2]=4 1198 B10R1.31 CCC1=N[C@H](C(=O)O)CS1 Amb35648202 [0,1,0,0,0,0|1,0,2]=4 1199 B10R1.31 CCc1cc(C(=O)Cl)cs1 Amb16230129 [0,1,0,0,0,0|1,0,0]=2 1200 B10R1.31 CCc1cc(C(=O)Cl)no1 Amb9902122 [0,1,0,0,0,0|2,1,0]=4 1201 B10R1.31 CCc1cc(C(=O)Cl)on1 Amb28066779 [0,1,0,0,0,0|3,0,0]=4 1202 B10R1.31 CCc1cc(C(=O)O)co1 Amb27968844 [0,1,0,0,0,0|0,1,0]=2 1203 B10R1.31 CCc1cc(C(=O)O)cs1 Amb1934809 [0,1,0,0,0,0|0,0,0]=1 1204 B10R1.31 CCc1cc(C(=O)O)no1 Amb33527100 [0,1,0,0,0,0|1,1,0]=3 1205 B10R1.31 CCc1cc(C(=O)O)on1 Amb5400520 [0,1,0,0,0,0|2,0,0]=3 1206 B10R1.31 CCc1cc(C(=O)O)sn1 Amb18670419 [0,1,0,0,0,0|2,0,0]=3 1207 B10R1.31 CCc1cc(C(C)=O)co1 Amb27227169 [0,1,0,0,0,0|1,1,0]=3 1208 B10R1.31 CCc1cc(C(C)=O)no1 Amb27267095 [0,1,0,0,0,0|2,1,0]=4 1209 B10R1.31 CCc1cc(C(C)=O)on1 Amb25794113 [0,1,0,0,0,0|3,0,0]=4 1210 B10R1.31 CCc1cc(C(N)=O)no1 Amb28240569 [0,1,0,0,0,0|2,1,0]=4 1211 B10R1.31 CCc1ccc(C(=O)Cl)s1 Amb16186423 [0,1,0,0,0,0|3,0,0]=4 1212 B10R1.31 CCc1ccc(C(=O)O)o1 Amb1071829 [0,1,0,0,0,0|2,0,0]=3 1213 B10R1.31 CCc1ccc(C(=O)O)s1 Amb1216581 [0,1,0,0,0,0|2,0,0]=3 1214 B10R1.31 CCc1ccc(C(=O)[O-])s1 Amb33512994 [0,1,0,0,0,0|2,0,1]=4 1215 B10R1.31 CCc1ccc(C(C)=O)o1 Amb20667621 [0,1,0,0,0,0|3,0,0]=4 1216 B10R1.31 CCc1ccc(C(C)=O)s1 Amb33545742 [0,1,0,0,0,0|3,0,0]=4 1217 B10R1.31 CCc1ccc(C(N)=O)s1 Amb8858645 [0,1,0,0,0,0|3,0,0]=4 1218 B10R1.31 CCc1ccc(S(=O)O)s1 Amb27267117 [0,1,0,0,0,0|3,0,0]=4 1219 B10R1.31 CCc1cnc(C(=O)O)o1 Amb18831796 [0,1,0,0,0,0|3,0,0]=4 1220 B10R1.31 CCc1coc(C(=O)O)n1 Amb32663014 [0,1,0,0,0,0|3,0,0]=4 1221 B10R1.31 CCc1csc(C(=O)O)n1 Amb17138463 [0,1,0,0,0,0|3,0,0]=4 1222 B10R1.31 CCc1csc(C(C)=O)c1 Amb27460179 [0,1,0,0,0,0|3,0,0]=4 1223 B10R1.31 CCc1nc(C(=O)Cl)co1 Amb22893504 [0,1,0,0,0,0|2,1,0]=4 1224 B10R1.31 CCc1nc(C(=O)O)co1 Amb33529848 [0,1,0,0,0,0|1,1,0]=3 1225 B10R1.31 CCc1nc(C(=O)O)cs1 Amb22491153 [0,1,0,0,0,0|1,0,0]=2 1226 B10R1.31 CCc1nc(C(=O)O)cs1 Amb33528758 [0,1,0,0,0,0|1,0,0]=2 1227 B10R1.31 CCc1nc(C(C)=O)cs1 Amb27455016 [0,1,0,0,0,0|2,0,0]=3 1228 B10R1.31 CCc1nc([C@@H](C)O)cs1 Amb29875177 [0,1,0,0,0,0|2,0,1]=4 1229 B10R1.31 CCc1nc([C@H](C)O)cs1 Amb29875136 [0,1,0,0,0,0|2,0,1]=4 1230 B10R1.31 CCc1nc([N+](=O)[O-])cs1 Amb25352616 [0,1,0,0,0,0|2,0,1]=4 1231 B10R1.31 CCc1ncc(C(=O)O)o1 Amb17399868 [0,1,0,0,0,0|2,0,0]=3 1232 B10R1.31 CCc1ncc(C(=O)O)s1 Amb8846613 [0,1,0,0,0,0|2,0,0]=3 1233 B10R1.31 CCc1nnc(C(=O)O)o1 Amb17399872 [0,1,0,0,0,0|3,0,0]=4 1234 B10R1.31 CCc1nnc(C(=O)O)s1 Amb32663335 [0,1,0,0,0,0|3,0,0]=4 1235 B10R1.31 CCc1noc(C(=O)O)n1 Amb9173477 [0,1,0,0,0,0|3,0,0]=4 1236 B10R1.31 CCn1cc(C(=O)Cl)cn1 Amb2692436 [0,1,0,0,0,0|3,0,0]=4 1237 B10R1.31 CCn1cc(C(=O)O)cn1 Amb1934295 [0,1,0,0,0,0|2,0,0]=3 1238 B10R1.31 CCn1cc(C(=O)O)nn1 Amb17537245 [0,1,0,0,0,0|3,0,0]=4 1239 B10R1.31 CCn1cc(C(=O)O)nn1 Amb32664446 [0,1,0,0,0,0|3,0,0]=4 1240 B10R1.31 CCn1cc(C(C)=O)cn1 Amb1073679 [0,1,0,0,0,0|3,0,0]=4 1241 B10R1.31 CCn1cc(C(N)=O)cn1 Amb27814592 [0,1,0,0,0,0|3,0,0]=4 1242 B10R1.31 CCn1ccc(C(=O)O)c1 Amb23441090 [0,1,0,0,0,0|2,0,0]=3 1243 B10R1.31 CCn1ccc(C(=O)O)n1 Amb1948824 [0,1,0,0,0,0|3,0,0]=4 1244 B10R1.31 CCn1ccc(C(N)=O)c1 Amb28200877 [0,1,0,0,0,0|3,0,0]=4 1245 B10R1.31 CCn1cnc(C(=O)O)c1 Amb18224131 [0,1,0,0,0,0|3,0,0]=4 1246 B10R1.31 CCn1cnc(C(=O)O)c1 Amb28555447 [0,1,0,0,0,0|3,0,0]=4 1247 B10R1.31 CCn1ncc(C(=O)O)n1 Amb26529218 [0,1,0,0,0,0|3,0,0]=4 1248 B10R1.31 CNc1cc(C(=O)O)no1 Amb27669971 [0,1,0,0,0,0|1,1,0]=3 1249 B10R1.31 CNc1ccc(C(N)=O)s1 Amb27458658 [0,1,0,0,0,0|3,0,0]=4 1250 B10R1.31 CNc1nc(B(O)O)cs1 Amb27620003 [0,1,0,0,0,0|2,0,1]=4 1251 B10R1.31 CNc1nc(C(=O)O)cs1 Amb10608514 [0,1,0,0,0,0|1,0,0]=2 1252 B10R1.31 CNc1nc(C(=O)O)cs1 Amb17622239 [0,1,0,0,0,0|1,0,0]=2 1253 B10R1.31 CNc1nc(C(C)=O)cs1 Amb18563470 [0,1,0,0,0,0|2,0,0]=3 1254 B10R1.31 CNc1nc(C(N)=O)cs1 Amb27443412 [0,1,0,0,0,0|2,0,0]=3 1255 B10R1.31 CNc1ncc(C(=O)O)o1 Amb33743814 [0,1,0,0,0,0|2,0,0]=3 1256 B10R1.31 CNc1ncc(C(=O)O)s1 Amb20669011 [0,1,0,0,0,0|2,0,0]=3 1257 B10R1.31 CNc1ncc(C(C)=O)s1 Amb2436664 [0,1,0,0,0,0|3,0,0]=4 1258 B10R1.31 CNc1ncc(C(N)=O)s1 Amb27836648 [0,1,0,0,0,0|3,0,0]=4 1259 B10R1.31 CNc1nnc(C(=O)O)o1 Amb18643985 [0,1,0,0,0,0|3,0,0]=4 1260 B10R1.31 CNc1nnc(C(=O)O)s1 Amb27188542 [0,1,0,0,0,0|3,0,0]=4 1261 B10R1.31 COc1cc(C(=O)Cl)no1 Amb27803876 [0,1,0,0,0,0|2,1,0]=4 1262 B10R1.31 COc1cc(C(=O)Cl)on1 Amb25114168 [0,1,0,0,0,0|3,0,0]=4 1263 B10R1.31 COc1cc(C(=O)O)on1 Amb2447451 [0,1,0,0,0,0|2,0,0]=3 1264 B10R1.31 COc1cc(C(=O)O)sn1 Amb24504313 [0,1,0,0,0,0|2,0,0]=3 1265 B10R1.31 COc1cc(C(C)=O)on1 Amb18831798 [0,1,0,0,0,0|3,0,0]=4 1266 B10R1.31 COc1cc(C(C)=O)sn1 Amb27455532 [0,1,0,0,0,0|3,0,0]=4 1267 B10R1.31 COc1cc(C(N)=O)on1 Amb10604453 [0,1,0,0,0,0|3,0,0]=4 1268 B10R1.31 COc1ccc(C(=O)Cl)o1 Amb27969766 [0,1,0,0,0,0|3,0,0]=4 1269 B10R1.31 COc1ccc(C(=O)O)o1 Amb4292093 [0,1,0,0,0,0|2,0,0]=3 1270 B10R1.31 COc1ccc(C(=O)O)s1 Amb2611701 [0,1,0,0,0,0|2,0,0]=3 1271 B10R1.31 COc1ccc(C(C)=O)s1 Amb28126809 [0,1,0,0,0,0|3,0,0]=4 1272 B10R1.31 COc1ccc(C(N)=O)o1 Amb28388834 [0,1,0,0,0,0|3,0,0]=4 1273 B10R1.31 COc1ccc(C(N)=O)s1 Amb27974232 [0,1,0,0,0,0|3,0,0]=4 1274 B10R1.31 COc1cnc(C(=O)O)o1 Amb3428237 [0,1,0,0,0,0|3,0,0]=4 1275 B10R1.31 COc1cnc(C(=O)O)s1 Amb28343037 [0,1,0,0,0,0|3,0,0]=4 1276 B10R1.31 COc1coc(C(=O)O)c1 Amb18643783 [0,1,0,0,0,0|2,0,0]=3 1277 B10R1.31 COc1coc(C(=O)O)n1 Amb18202497 [0,1,0,0,0,0|3,0,0]=4 1278 B10R1.31 COc1csc(C(=O)Cl)c1 Amb25182501 [0,1,0,0,0,0|3,0,0]=4 1279 B10R1.31 COc1csc(C(=O)O)c1 Amb33528140 [0,1,0,0,0,0|2,0,0]=3 1280 B10R1.31 COc1csc(C(N)=O)c1 Amb26967077 [0,1,0,0,0,0|3,0,0]=4 1281 B10R1.31 COc1nc(C(=O)O)co1 Amb25064800 [0,1,0,0,0,0|1,1,0]=3 1282 B10R1.31 COc1nc(C(=O)O)cs1 Amb27658512 [0,1,0,0,0,0|1,0,0]=2 1283 B10R1.31 COc1nc(C(=O)O)no1 Amb25360100 [0,1,0,0,0,0|2,1,0]=4 1284 B10R1.31 COc1nc(C(N)=O)cs1 Amb27607163 [0,1,0,0,0,0|2,0,0]=3 1285 B10R1.31 COc1ncc(C(=O)O)s1 Amb2592213 [0,1,0,0,0,0|2,0,0]=3 1286 B10R1.31 COc1ncc(C(=O)[O-])s1 Amb19651389 [0,1,0,0,0,0|2,0,1]=4 1287 B10R1.31 COc1ncc(C(=O)[O-])s1 Amb21961512 [0,1,0,0,0,0|2,0,1]=4 1288 B10R1.31 COc1ncc(C(C)=O)s1 Amb27192597 [0,1,0,0,0,0|3,0,0]=4 1289 B10R1.31 COc1ncc(S(=O)O)s1 Amb26429807 [0,1,0,0,0,0|3,0,0]=4 1290 B10R1.31 COc1nnc(C(=O)O)s1 Amb27958993 [0,1,0,0,0,0|3,0,0]=4 1291 B10R1.31 CSc1cc(B(O)O)cs1 Amb27476293 [0,1,0,0,0,0|1,0,1]=3 1292 B10R1.31 CSc1cc(C(=O)O)co1 Amb28645149 [0,1,0,0,0,0|0,1,0]=2 1293 B10R1.31 CSc1cc(C(=O)O)cs1 Amb27617118 [0,1,0,0,0,0|0,0,0]=1 1294 B10R1.31 CSc1cc(C(=O)O)no1 Amb23440954 [0,1,0,0,0,0|1,1,0]=3 1295 B10R1.31 CSc1cc(C(=O)O)ns1 Amb18197162 [0,1,0,0,0,0|1,0,0]=2 1296 B10R1.31 CSc1ccc(C(=O)O)o1 Amb18959560 [0,1,0,0,0,0|2,0,0]=3 1297 B10R1.31 CSc1ccc(C(=O)O)s1 Amb1102122 [0,1,0,0,0,0|2,0,0]=3 1298 B10R1.31 CSc1ccc(C(C)=O)s1 Amb2707732 [0,1,0,0,0,0|3,0,0]=4 1299 B10R1.31 CSc1ccc(C(N)=O)s1 Amb2767238 [0,1,0,0,0,0|3,0,0]=4 1300 B10R1.31 CSc1csc(C(=O)Cl)c1 Amb27185501 [0,1,0,0,0,0|3,0,0]=4 1301 B10R1.31 CSc1nc(C(=O)O)co1 Amb28145776 [0,1,0,0,0,0|1,1,0]=3 1302 B10R1.31 CSc1nc(C(=O)O)cs1 Amb9173738 [0,1,0,0,0,0|1,0,0]=2 1303 B10R1.31 CSc1nc(C(C)O)cs1 Amb27169924 [0,1,0,0,0,0|2,0,1]=4 1304 B10R1.31 CSc1ncc(C(=O)Cl)s1 Amb27755364 [0,1,0,0,0,0|3,0,0]=4 1305 B10R1.31 CSc1ncc(C(=O)O)s1 Amb18197161 [0,1,0,0,0,0|2,0,0]=3 1306 B10R1.31 CSc1ncc(C(C)=O)s1 Amb19882271 [0,1,0,0,0,0|3,0,0]=4 1307 B10R1.31 CSc1nnc(C(=O)O)o1 Amb27422902 [0,1,0,0,0,0|3,0,0]=4 1308 B10R1.31 N#Cc1cc(B(O)O)cs1 Amb33547038 [0,1,0,0,0,0|1,0,2]=4 1309 B10R1.31 N#Cc1cc(C(=O)O)co1 Amb24588587 [0,1,0,0,0,0|0,1,1]=3 1310 B10R1.31 N#Cc1cc(C(=O)O)cs1 Amb33552888 [0,1,0,0,0,0|0,0,1]=2 1311 B10R1.31 N#Cc1cc(C(=O)O)no1 Amb18832273 [0,1,0,0,0,0|1,1,1]=4 1312 B10R1.31 N#Cc1cc(C(=O)O)ns1 Amb18200731 [0,1,0,0,0,0|1,0,1]=3 1313 B10R1.31 N#Cc1cc(C(=O)O)sn1 Amb18200844 [0,1,0,0,0,0|2,0,1]=4 1314 B10R1.31 N#Cc1cc([N+](=O)[O-])cs1 Amb2611685 [0,1,0,0,0,0|1,0,2]=4 1315 B10R1.31 N#Cc1ccc(C(=O)O)o1 Amb17106494 [0,1,0,0,0,0|2,0,1]=4 1316 B10R1.31 N#Cc1ccc(C(=O)O)s1 Amb9173837 [0,1,0,0,0,0|2,0,1]=4 1317 B10R1.31 N#Cc1coc(C(=O)O)c1 Amb22499370 [0,1,0,0,0,0|2,0,1]=4 1318 B10R1.31 N#Cc1csc(C(=O)O)c1 Amb10069118 [0,1,0,0,0,0|2,0,1]=4 1319 B10R1.31 N#Cc1nc(C(=O)O)cs1 Amb27248586 [0,1,0,0,0,0|1,0,1]=3 1320 B10R1.31 N#Cc1nc(C(N)=O)cs1 Amb27653307 [0,1,0,0,0,0|2,0,1]=4 1321 B10R1.31 N#Cc1ncc(C(=O)O)s1 Amb24329331 [0,1,0,0,0,0|2,0,1]=4 1322 B10R1.31 N#Cn1cc(C(=O)O)cn1 Amb27848620 [0,1,0,0,0,0|2,0,1]=4 1323 B10R1.31 NC(=O)c1cc(CCl)no1 Amb27967308 [0,1,0,0,0,0|3,0,0]=4 1324 B10R1.31 NC(=O)c1cc(CO)on1 Amb1094054 [0,1,0,0,0,0|2,1,0]=4 1325 B10R1.31 NC(=O)c1ccc(CBr)o1 Amb27259885 [0,1,0,0,0,0|3,0,0]=4 1326 B10R1.31 NC(=O)c1coc(CO)n1 Amb28364912 [0,1,0,0,0,0|2,1,0]=4 1327 B10R1.31 NC(=O)c1csc(C=O)c1 Amb20622336 [0,1,0,0,0,0|1,0,1]=3 1328 B10R1.31 NC(=O)c1csc(CBr)n1 Amb27976656 [0,1,0,0,0,0|2,0,0]=3 1329 B10R1.31 NC(=O)c1csc(CO)c1 Amb27986097 [0,1,0,0,0,0|1,0,0]=2 1330 B10R1.31 NC(=O)c1csc(CS)c1 Amb32788248 [0,1,0,0,0,0|1,0,0]=2 1331 B10R1.31 NCc1cc(C(=O)O)co1 Amb1062793 [0,1,0,0,0,0|0,1,0]=2 1332 B10R1.31 NCc1cc(C(=O)O)co1 Amb6825543 [0,1,0,0,0,0|0,1,0]=2 1333 B10R1.31 NCc1cc(C(=O)O)cs1 Amb24480616 [0,1,0,0,0,0|0,0,0]=1 1334 B10R1.31 NCc1cc(C(=O)O)cs1 Amb33295374 [0,1,0,0,0,0|0,0,0]=1 1335 B10R1.31 NCc1cc(C(=O)O)no1 Amb13952140 [0,1,0,0,0,0|1,1,0]=3 1336 B10R1.31 NCc1cc(C(=O)O)no1 Amb25211669 [0,1,0,0,0,0|1,1,0]=3 1337 B10R1.31 NCc1cc(C(N)=O)co1 Amb19515218 [0,1,0,0,0,0|1,1,0]=3 1338 B10R1.31 NCc1cc(C(N)=O)co1 Amb33249681 [0,1,0,0,0,0|1,1,0]=3 1339 B10R1.31 NCc1cc(C(N)=O)no1 Amb20668809 [0,1,0,0,0,0|2,1,0]=4 1340 B10R1.31 NCc1ccc(C(=O)O)o1 Amb2721813 [0,1,0,0,0,0|2,0,0]=3 1341 B10R1.31 NCc1ccc(C(=O)O)o1 Amb33550499 [0,1,0,0,0,0|2,0,0]=3 1342 B10R1.31 NCc1ccc(C(=O)O)s1 Amb2592452 [0,1,0,0,0,0|2,0,0]=3 1343 B10R1.31 NCc1ccc(C(=O)O)s1 Amb32992646 [0,1,0,0,0,0|2,0,0]=3 1344 B10R1.31 NCc1ccc(C(N)=O)o1 Amb20623673 [0,1,0,0,0,0|3,0,0]=4 1345 B10R1.31 NCc1ccc(C(N)=O)o1 Amb22059429 [0,1,0,0,0,0|3,0,0]=4 1346 B10R1.31 NCc1ccc(C(N)=O)s1 Amb18908500 [0,1,0,0,0,0|3,0,0]=4 1347 B10R1.31 NCc1csc(C(=O)O)c1 Amb22011445 [0,1,0,0,0,0|2,0,0]=3 1348 B10R1.31 NCc1nc(C(=O)O)co1 Amb18062792 [0,1,0,0,0,0|1,1,0]=3 1349 B10R1.31 NCc1nc(C(=O)O)cs1 Amb18936716 [0,1,0,0,0,0|1,0,0]=2 1350 B10R1.31 NCc1nc(C(=O)O)cs1 Amb31378510 [0,1,0,0,0,0|1,0,0]=2 1351 B10R1.31 NCc1nc(C(=O)O)cs1 Amb5754058 [0,1,0,0,0,0|1,0,0]=2 1352 B10R1.31 NCc1nc(C(=O)O)no1 Amb27630581 [0,1,0,0,0,0|2,1,0]=4 1353 B10R1.31 NCc1nc(C(N)=O)co1 Amb32664972 [0,1,0,0,0,0|2,1,0]=4 1354 B10R1.31 NCc1nc(C(N)=O)cs1 Amb24099746 [0,1,0,0,0,0|2,0,0]=3 1355 B10R1.31 NCc1nc(C(N)=S)cs1 Amb28322648 [0,1,0,0,0,0|2,1,0]=4 1356 B10R1.31 NCc1ncc(C(=O)O)s1 Amb24101164 [0,1,0,0,0,0|2,0,0]=3 1357 B10R1.31 NCc1ncc(C(=O)O)s1 Amb35789022 [0,1,0,0,0,0|2,0,0]=3 1358 B10R1.31 NCc1ncc(C(N)=O)s1 Amb27853928 [0,1,0,0,0,0|3,0,0]=4 1359 B10R1.31 NCc1ncc(C(N)=O)s1 Amb35789005 [0,1,0,0,0,0|3,0,0]=4 1360 B10R1.31 NCc1noc(C(=O)O)n1 Amb27815673 [0,1,0,0,0,0|3,0,0]=4 1361 B10R1.31 NNc1ccc(C(=O)O)s1 Amb18830492 [0,1,0,0,0,0|3,0,0]=4 1362 B10R1.31 NNc1nc(C(=O)O)cs1 Amb17666381 [0,1,0,0,0,0|2,0,0]=3 1363 B10R1.31 NNc1nc(C(N)=O)cs1 Amb4304977 [0,1,0,0,0,0|3,0,0]=4 1364 B10R1.31 O=C(Cl)c1cc(CCl)on1 Amb26643056 [0,1,0,0,0,0|2,1,0]=4 1365 B10R1.31 O=C(Cl)c1ccc(CCl)o1 Amb24365317 [0,1,0,0,0,0|3,0,0]=4 1366 B10R1.31 O=C(Cl)c1coc(CCl)c1 Amb25793553 [0,1,0,0,0,0|1,1,0]=3 1367 B10R1.31 O=C(O)c1cc(CBr)cs1 Amb28314098 [0,1,0,0,0,0|2,0,0]=3 1368 B10R1.31 O=C(O)c1cc(CBr)on1 Amb18655194 [0,1,0,0,0,0|1,1,0]=3 1369 B10R1.31 O=C(O)c1cc(CCl)no1 Amb26983692 [0,1,0,0,0,0|2,0,0]=3 1370 B10R1.31 O=C(O)c1cc(CF)no1 Amb33378684 [0,1,0,0,0,0|2,0,0]=3 1371 B10R1.31 O=C(O)c1cc(CF)on1 Amb25063872 [0,1,0,0,0,0|1,1,0]=3 1372 B10R1.31 O=C(O)c1cc(CO)on1 Amb1094056 [0,1,0,0,0,0|1,1,0]=3 1373 B10R1.31 O=C(O)c1cc(CS)cs1 Amb27400333 [0,1,0,0,0,0|2,0,0]=3 1374 B10R1.31 O=C(O)c1cc(CS)on1 Amb18954330 [0,1,0,0,0,0|1,1,0]=3 1375 B10R1.31 O=C(O)c1ccc(CBr)o1 Amb18130925 [0,1,0,0,0,0|2,0,0]=3 1376 B10R1.31 O=C(O)c1ccc(CBr)s1 Amb27642584 [0,1,0,0,0,0|2,0,0]=3 1377 B10R1.31 O=C(O)c1ccc(CCl)s1 Amb28120179 [0,1,0,0,0,0|2,0,0]=3 1378 B10R1.31 O=C(O)c1ccc(CO)o1 Amb1911529 [0,1,0,0,0,0|2,0,0]=3 1379 B10R1.31 O=C(O)c1ccc(CO)s1 Amb24329406 [0,1,0,0,0,0|2,0,0]=3 1380 B10R1.31 O=C(O)c1ccc(CS)o1 Amb4136322 [0,1,0,0,0,0|2,0,0]=3 1381 B10R1.31 O=C(O)c1ccc(CS)s1 Amb24556891 [0,1,0,0,0,0|2,0,0]=3 1382 B10R1.31 O=C(O)c1ccn(CO)n1 Amb1946369 [0,1,0,0,0,0|3,0,0]=4 1383 B10R1.31 O=C(O)c1cnc(CF)s1 Amb27429047 [0,1,0,0,0,0|2,0,0]=3 1384 B10R1.31 O=C(O)c1cnc(CO)o1 Amb23555771 [0,1,0,0,0,0|2,0,0]=3 1385 B10R1.31 O=C(O)c1cnc(CS)s1 Amb32788378 [0,1,0,0,0,0|2,0,0]=3 1386 B10R1.31 O=C(O)c1cnn(CO)c1 Amb535355 [0,1,0,0,0,0|2,0,0]=3 1387 B10R1.31 O=C(O)c1coc(CBr)n1 Amb24399240 [0,1,0,0,0,0|1,1,0]=3 1388 B10R1.31 O=C(O)c1coc(CCl)n1 Amb27453519 [0,1,0,0,0,0|1,1,0]=3 1389 B10R1.31 O=C(O)c1coc(CF)n1 Amb25046822 [0,1,0,0,0,0|1,1,0]=3 1390 B10R1.31 O=C(O)c1coc(CO)c1 Amb18284467 [0,1,0,0,0,0|0,1,0]=2 1391 B10R1.31 O=C(O)c1coc(CS)c1 Amb18958919 [0,1,0,0,0,0|0,1,0]=2 1392 B10R1.31 O=C(O)c1coc(CS)n1 Amb27974742 [0,1,0,0,0,0|1,1,0]=3 1393 B10R1.31 O=C(O)c1csc(CBr)n1 Amb24479328 [0,1,0,0,0,0|1,0,0]=2 1394 B10R1.31 O=C(O)c1csc(CCl)n1 Amb26980870 [0,1,0,0,0,0|1,0,0]=2 1395 B10R1.31 O=C(O)c1csc(CO)n1 Amb16233436 [0,1,0,0,0,0|1,0,0]=2 1396 B10R1.31 O=C(O)c1csc(CO)n1 Amb28895989 [0,1,0,0,0,0|1,0,0]=2 1397 B10R1.31 O=C(O)c1csc(CS)c1 Amb24739584 [0,1,0,0,0,0|0,0,0]=1 1398 B10R1.31 O=C(O)c1csc(NO)n1 Amb27190354 [0,1,0,0,0,0|2,0,0]=3 1399 B10R1.31 O=C(O)c1ncc(CF)o1 Amb28251571 [0,1,0,0,0,0|3,0,0]=4 1400 B10R1.31 O=C(O)c1noc(CO)n1 Amb25749401 [0,1,0,0,0,0|2,1,0]=4 1401 B10R1.31 O=C(O)c1noc(CS)n1 Amb28076945 [0,1,0,0,0,0|2,1,0]=4 1402 B10R1.31 O=Cc1cc(B(O)O)cs1 Amb9780917 [0,1,0,0,0,0|1,0,2]=4 1403 B10R1.31 O=Cc1cc(C(=O)O)co1 Amb18202918 [0,1,0,0,0,0|0,1,1]=3 1404 B10R1.31 O=Cc1cc(C(=O)O)cs1 Amb2611503 [0,1,0,0,0,0|0,0,1]=2 1405 B10R1.31 O=Cc1cc(C(=O)O)no1 Amb18202789 [0,1,0,0,0,0|1,1,1]=4 1406 B10R1.31 O=Cc1cc(C(=O)O)on1 Amb18831800 [0,1,0,0,0,0|2,0,1]=4 1407 B10R1.31 O=Cc1cc(C(=O)O)sn1 Amb33072930 [0,1,0,0,0,0|2,0,1]=4 1408 B10R1.31 O=Cc1cc([N+](=O)[O-])cs1 Amb8439393 [0,1,0,0,0,0|1,0,2]=4 1409 B10R1.31 O=Cc1ccc(C(=O)O)o1 Amb2688600 [0,1,0,0,0,0|2,0,1]=4 1410 B10R1.31 O=Cc1ccc(C(=O)O)s1 Amb2611502 [0,1,0,0,0,0|2,0,1]=4 1411 B10R1.31 O=Cc1coc(C(=O)O)c1 Amb27589260 [0,1,0,0,0,0|2,0,1]=4 1412 B10R1.31 O=Cc1csc(C(=O)O)c1 Amb18125941 [0,1,0,0,0,0|2,0,1]=4 1413 B10R1.31 O=Cc1nc(C(=O)O)cs1 Amb18830657 [0,1,0,0,0,0|1,0,1]=3 1414 B10R1.31 O=Cc1ncc(C(=O)O)s1 Amb24084243 [0,1,0,0,0,0|2,0,1]=4 1415 B10R1.31 O=[N+]([O-])c1coc(CS)c1 Amb26326239 [0,1,0,0,0,0|1,1,1]=4 1416 B10R1.31 OCc1cc(B(O)O)cs1 Amb22500812 [0,1,0,0,0,0|1,0,1]=3 1417 B10R1.55 CC(C)(O)c1csc(Br)c1 Amb27813694 [0,1,0,0,0,0|2,0,1]=4 1418 B10R1.55 CS(=O)(=O)c1csc(Br)c1 Amb27198545 [0,1,0,0,0,0|2,0,1]=4 1419 B10R1.55 Cc1cc(C(C)(C)N)cs1 Amb18830833 [0,1,0,0,0,0|2,0,1]=4 1420 B10R1.55 Cc1cc(C(F)(F)F)cs1 Amb27410352 [0,1,0,0,0,0|2,0,1]=4 1421 B10R1.55 Cc1cc(S(=O)(=O)Cl)cs1 Amb25077173 [0,1,0,0,0,0|1,0,1]=3 1422 B10R1.55 Cc1cc(S(=O)(=O)F)cs1 Amb32717535 [0,1,0,0,0,0|1,0,1]=3 1423 B10R1.55 Cc1cc(S(N)(=O)=O)cs1 Amb27605477 [0,1,0,0,0,0|1,0,1]=3 1424 B10R1.55 Cc1ccc(S(=O)(=O)O)s1 Amb25065219 [0,1,0,0,0,0|3,0,0]=4 1425 B10R1.55 Cc1nc(C(C)(C)O)cs1 Amb24582620 [0,1,0,0,0,0|2,0,1]=4 1426 B10R1.55 Cc1nc(S(=O)(=O)Cl)cs1 Amb27150308 [0,1,0,0,0,0|2,0,1]=4 1427 B10R1.55 Cc1nc(S(=O)(=O)F)cs1 Amb27164747 [0,1,0,0,0,0|2,0,1]=4 1428 B10R1.55 Cc1nc(S(N)(=O)=O)cs1 Amb26476088 [0,1,0,0,0,0|2,0,1]=4 1429 B10R1.55 Cn1cc(S(=O)(=O)O)cn1 Amb27794147 [0,1,0,0,0,0|3,0,0]=4 1430 B10R1.55 Cn1ccc(S(=O)(=O)O)c1 Amb18862546 [0,1,0,0,0,0|3,0,0]=4 1431 B10R1.55 NS(=O)(=O)c1csc(Br)c1 Amb33263239 [0,1,0,0,0,0|2,0,1]=4 1432 B10R1.55 NS(=O)(=O)c1csc(Cl)c1 Amb2613288 [0,1,0,0,0,0|2,0,1]=4 1433 B10R1.55 Nc1cc(S(=O)(=O)F)cs1 Amb33078415 [0,1,0,0,0,0|2,0,1]=4 1434 B10R1.55 Nc1cc(S(N)(=O)=O)cs1 Amb28385671 [0,1,0,0,0,0|2,0,1]=4 1435 B10R1.55 O=S(=O)(Cl)c1csc(Br)c1 Amb28049646 [0,1,0,0,0,0|2,0,1]=4 1436 B10R1.55 O=S(=O)(Cl)c1csc(Cl)c1 Amb26318557 [0,1,0,0,0,0|2,0,1]=4 1437 B10R1.55 O=S(=O)(F)c1csc(Br)c1 Amb33263244 [0,1,0,0,0,0|2,0,1]=4 1438 B10R1.55 O=S(=O)(F)c1csc(Cl)c1 Amb33053319 [0,1,0,0,0,0|2,0,1]=4 1439 B10R1.58 CC(=O)c1cc(Br)c(C)s1 Amb22750463 [0,1,0,0,0,0|3,0,0]=4 1440 B10R1.58 CC(=O)c1cc(Br)n(C)c1 Amb24317681 [0,1,0,0,0,0|3,0,0]=4 1441 B10R1.58 CC(=O)c1cc(C)c(Br)s1 Amb22233649 [0,1,0,0,0,0|3,0,0]=4 1442 B10R1.58 CC(=O)c1cc(C)c(C)o1 Amb22229922 [0,1,0,0,0,0|3,0,0]=4 1443 B10R1.58 CC(=O)c1cc(C)c(C)s1 Amb10068529 [0,1,0,0,0,0|3,0,0]=4 1444 B10R1.58 CC(=O)c1cc(C)c(Cl)s1 Amb19888116 [0,1,0,0,0,0|3,0,0]=4 1445 B10R1.58 CC(=O)c1cc(C)c(N)o1 Amb18832099 [0,1,0,0,0,0|3,0,0]=4 1446 B10R1.58 CC(=O)c1cc(C)c(N)s1 Amb18830868 [0,1,0,0,0,0|3,0,0]=4 1447 B10R1.58 CC(=O)c1cc(C)n(C)c1 Amb27800631 [0,1,0,0,0,0|2,0,0]=3 1448 B10R1.58 CC(=O)c1cc(C)n(C)n1 Amb18832183 [0,1,0,0,0,0|3,0,0]=4 1449 B10R1.58 CC(=O)c1cc(Cl)c(C)s1 Amb22753471 [0,1,0,0,0,0|3,0,0]=4 1450 B10R1.58 CC(=O)c1cc(F)c(C)s1 Amb18830489 [0,1,0,0,0,0|3,0,0]=4 1451 B10R1.58 CC(=O)c1cc(N)c(C)o1 Amb18832124 [0,1,0,0,0,0|3,0,0]=4 1452 B10R1.58 CC(=O)c1cc(N)c(C)s1 Amb18200380 [0,1,0,0,0,0|3,0,0]=4 1453 B10R1.58 CC(=O)c1cn(C)c(C)n1 Amb25348500 [0,1,0,0,0,0|3,0,0]=4 1454 B10R1.58 CN1C=C(C(=O)O)NC1=O Amb33544784 [0,1,0,0,0,0|3,0,0]=4 1455 B10R1.58 CN1NC(C(=O)O)=CC1=O Amb32662774 [0,1,0,0,0,0|3,0,0]=4 1456 B10R1.58 CN1OC(C(=O)O)=CC1=O Amb26429027 [0,1,0,0,0,0|3,0,0]=4 1457 B10R1.58 Cc1cc(B(O)O)cn1C Amb27460733 [0,1,0,0,0,0|2,0,1]=4 1458 B10R1.58 Cc1cc(C(=O)Cl)nn1C Amb2687607 [0,1,0,0,0,0|3,0,0]=4 1459 B10R1.58 Cc1cc(C(=O)Cl)sc1C Amb20667957 [0,1,0,0,0,0|3,0,0]=4 1460 B10R1.58 Cc1cc(C(=O)O)cn1C Amb22886607 [0,1,0,0,0,0|1,0,0]=2 1461 B10R1.58 Cc1cc(C(=O)O)nn1C Amb1080880 [0,1,0,0,0,0|2,0,0]=3 1462 B10R1.58 Cc1cc(C(=O)O)oc1Br Amb32679203 [0,1,0,0,0,0|2,0,0]=3 1463 B10R1.58 Cc1cc(C(=O)O)oc1C Amb2722738 [0,1,0,0,0,0|2,0,0]=3 1464 B10R1.58 Cc1cc(C(=O)O)oc1N Amb18831791 [0,1,0,0,0,0|2,0,0]=3 1465 B10R1.58 Cc1cc(C(=O)O)sc1Br Amb20622803 [0,1,0,0,0,0|2,0,0]=3 1466 B10R1.58 Cc1cc(C(=O)O)sc1C Amb1107632 [0,1,0,0,0,0|2,0,0]=3 1467 B10R1.58 Cc1cc(C(=O)O)sc1Cl Amb4056788 [0,1,0,0,0,0|2,0,0]=3 1468 B10R1.58 Cc1cc(C(=O)O)sc1N Amb18830630 [0,1,0,0,0,0|2,0,0]=3 1469 B10R1.58 Cc1cc(C(=O)[O-])nn1C Amb33295119 [0,1,0,0,0,0|2,0,1]=4 1470 B10R1.58 Cc1cc(C(=O)[O-])sc1C Amb15691660 [0,1,0,0,0,0|2,0,1]=4 1471 B10R1.58 Cc1cc(C(N)=O)nn1C Amb19895587 [0,1,0,0,0,0|3,0,0]=4 1472 B10R1.58 Cc1cc(C(N)=O)oc1C Amb27973534 [0,1,0,0,0,0|3,0,0]=4 1473 B10R1.58 Cc1cc(C(N)=O)sc1C Amb8998206 [0,1,0,0,0,0|3,0,0]=4 1474 B10R1.58 Cc1nc(C(=O)O)cn1C Amb18064886 [0,1,0,0,0,0|2,0,0]=3 1475 B10R1.58 Cc1nc(C(=O)O)nn1C Amb26500281 [0,1,0,0,0,0|3,0,0]=4 1476 B10R1.58 Cc1nc(C(=O)O)oc1Br Amb27664093 [0,1,0,0,0,0|3,0,0]=4 1477 B10R1.58 Cc1nc(C(=O)O)oc1C Amb18202775 [0,1,0,0,0,0|3,0,0]=4 1478 B10R1.58 Cc1nc(C(=O)O)sc1Br Amb16231450 [0,1,0,0,0,0|3,0,0]=4 1479 B10R1.58 Cc1nc(C(=O)O)sc1C Amb8009865 [0,1,0,0,0,0|3,0,0]=4 1480 B10R1.58 Cc1nc(S(=O)O)cn1C Amb26914474 [0,1,0,0,0,0|3,0,0]=4 1481 B10R1.58 Cc1oc(C(=O)O)cc1Br Amb23537903 [0,1,0,0,0,0|2,0,0]=3 1482 B10R1.58 Cc1oc(C(=O)O)cc1Cl Amb28049350 [0,1,0,0,0,0|2,0,0]=3 1483 B10R1.58 Cc1oc(C(=O)O)cc1N Amb18280933 [0,1,0,0,0,0|2,0,0]=3 1484 B10R1.58 Cc1sc(C(=O)O)cc1Br Amb2611509 [0,1,0,0,0,0|2,0,0]=3 1485 B10R1.58 Cc1sc(C(=O)O)cc1Cl Amb23537641 [0,1,0,0,0,0|2,0,0]=3 1486 B10R1.58 Cc1sc(C(=O)O)cc1F Amb18830296 [0,1,0,0,0,0|2,0,0]=3 1487 B10R1.58 Cc1sc(C(=O)O)nc1Br Amb26397785 [0,1,0,0,0,0|3,0,0]=4 1488 B10R1.58 Cc1sc(C(=O)O)nc1O Amb24061368 [0,1,0,0,0,0|3,0,0]=4 1489 B10R1.58 Cc1sc(C(N)=O)cc1N Amb18278394 [0,1,0,0,0,0|3,0,0]=4 1490 B10R1.58 Cn1cc(C(=O)O)cc1Br Amb27446881 [0,1,0,0,0,0|2,0,0]=3 1491 B10R1.58 Cn1cc(C(=O)O)nc1Br Amb16230681 [0,1,0,0,0,0|3,0,0]=4 1492 B10R1.58 Cn1cc(C(=O)O)nc1N Amb27864831 [0,1,0,0,0,0|3,0,0]=4 1493 B10R1.58 Cn1nc(C(=O)O)cc1Br Amb22899263 [0,1,0,0,0,0|3,0,0]=4 1494 B10R1.58 Cn1nc(C(=O)O)cc1Cl Amb10067429 [0,1,0,0,0,0|3,0,0]=4 1495 B10R1.58 Cn1nc(C(=O)O)cc1F Amb24628787 [0,1,0,0,0,0|3,0,0]=4 1496 B10R1.58 Cn1nc(C(=O)O)cc1I Amb33621413 [0,1,0,0,0,0|3,0,0]=4 1497 B10R1.58 Cn1nc(C(=O)O)cc1N Amb22280499 [0,1,0,0,0,0|3,0,0]=4 1498 B10R1.58 Cn1nc(C(=O)O)cc1N Amb6891605 [0,1,0,0,0,0|3,0,0]=4 1499 B10R1.58 Cn1nc(C(=O)O)cc1O Amb10067428 [0,1,0,0,0,0|3,0,0]=4 1500 B10R1.58 Nc1cc(C(=O)O)sc1Cl Amb2227908 [0,1,0,0,0,0|3,0,0]=4 1501 B10R1.58 Nc1sc(C(=O)O)cc1Br Amb18161045 [0,1,0,0,0,0|3,0,0]=4 1502 B10R1.58 O=C(O)c1cc(Br)c(Br)o1 Amb6366139 [0,1,0,0,0,0|3,0,0]=4 1503 B10R1.58 O=C(O)c1cc(Br)c(Br)s1 Amb1159156 [0,1,0,0,0,0|3,0,0]=4 1504 B10R1.58 O=C(O)c1cc(Br)c(Cl)o1 Amb18134782 [0,1,0,0,0,0|3,0,0]=4 1505 B10R1.58 O=C(O)c1cc(Br)c(Cl)s1 Amb5718793 [0,1,0,0,0,0|3,0,0]=4 1506 B10R1.58 O=C(O)c1cc(Br)c(O)o1 Amb29860796 [0,1,0,0,0,0|3,0,0]=4 1507 B10R1.58 O=C(O)c1cc(Br)c(S)o1 Amb35691417 [0,1,0,0,0,0|3,0,0]=4 1508 B10R1.58 O=C(O)c1cc(Cl)c(Br)s1 Amb5719856 [0,1,0,0,0,0|3,0,0]=4 1509 B10R1.58 O=C(O)c1cc(Cl)c(Cl)o1 Amb27477953 [0,1,0,0,0,0|3,0,0]=4 1510 B10R1.58 O=C(O)c1cc(Cl)c(Cl)s1 Amb19958451 [0,1,0,0,0,0|3,0,0]=4 1511 B10R1.58 O=C(O)c1cc(F)c(Br)s1 Amb27793867 [0,1,0,0,0,0|3,0,0]=4 1512 B10R1.59 C=C(C)c1cc(C)oc1C Amb27770372 [0,1,0,0,0,0|2,1,0]=4 1513 B10R1.59 C=C(C)c1cc(Cl)sc1Cl Amb27174168 [0,1,0,0,0,0|3,0,0]=4 1514 B10R1.59 CC(=O)C1=C(Cl)CC(Cl)=C1 Amb5720069 [0,1,0,0,0,0|3,0,0]=4 1515 B10R1.59 CC(=O)C1=CC(C)=C[C@@H]1C Amb27614931 [0,1,0,0,0,0|2,0,1]=4 1516 B10R1.59 CC(=O)C1=CC(C)OC1=O Amb28351544 [0,1,0,0,0,0|1,1,1]=4 1517 B10R1.59 CC(=O)C1C=C(C)OC1=O Amb26474213 [0,1,0,0,0,0|1,1,1]=4 1518 B10R1.59 CC(=O)c1cc(Br)oc1C Amb27238946 [0,1,0,0,0,0|2,1,0]=4 1519 B10R1.59 CC(=O)c1cc(Br)sc1Br Amb6487193 [0,1,0,0,0,0|2,0,0]=3 1520 B10R1.59 CC(=O)c1cc(Br)sc1C Amb19148379 [0,1,0,0,0,0|2,0,0]=3 1521 B10R1.59 CC(=O)c1cc(C)cn1C Amb24400567 [0,1,0,0,0,0|3,0,0]=4 1522 B10R1.59 CC(=O)c1cc(C)nn1C Amb1945966 [0,1,0,0,0,0|3,0,0]=4 1523 B10R1.59 CC(=O)c1cc(C)oc1C Amb3940516 [0,1,0,0,0,0|1,1,0]=3 1524 B10R1.59 CC(=O)c1cc(C)oc1O Amb24524533 [0,1,0,0,0,0|1,1,0]=3 1525 B10R1.59 CC(=O)c1cc(C)sc1C Amb1154144 [0,1,0,0,0,0|1,0,0]=2 1526 B10R1.59 CC(=O)c1cc(Cl)sc1C Amb22749372 [0,1,0,0,0,0|2,0,0]=3 1527 B10R1.59 CC(=O)c1cc(Cl)sc1Cl Amb6364869 [0,1,0,0,0,0|2,0,0]=3 1528 B10R1.59 CC(=O)c1cc(F)sc1C Amb18830487 [0,1,0,0,0,0|2,0,0]=3 1529 B10R1.59 CC(=O)c1cc(N)sc1C Amb18200379 [0,1,0,0,0,0|2,0,0]=3 1530 B10R1.59 CC(=O)c1cn(C)cc1C Amb18203045 [0,1,0,0,0,0|3,0,0]=4 1531 B10R1.59 CC(=O)c1cn(C)nc1C Amb1080878 [0,1,0,0,0,0|3,0,0]=4 1532 B10R1.59 CC(=O)c1cn(C)nc1C Amb22492325 [0,1,0,0,0,0|3,0,0]=4 1533 B10R1.59 CC(=O)c1cn(C)nc1N Amb25138529 [0,1,0,0,0,0|3,0,0]=4 1534 B10R1.59 CC(=O)c1nc(Br)sc1C Amb25192360 [0,1,0,0,0,0|3,0,0]=4 1535 B10R1.59 CC(=O)c1nc(C)oc1C Amb20621132 [0,1,0,0,0,0|2,1,0]=4 1536 B10R1.59 CC(=O)c1nc(C)sc1Br Amb26061941 [0,1,0,0,0,0|2,0,0]=3 1537 B10R1.59 CC(=O)c1nc(C)sc1C Amb20668461 [0,1,0,0,0,0|2,0,0]=3 1538 B10R1.59 CC(=O)c1nc(C)sc1C Amb434227 [0,1,0,0,0,0|2,0,0]=3 1539 B10R1.59 CC(=O)c1nc(N)sc1C Amb10608769 [0,1,0,0,0,0|3,0,0]=4 1540 B10R1.59 CC(=O)c1nc(N)sc1C Amb19892816 [0,1,0,0,0,0|3,0,0]=4 1541 B10R1.59 CC(=O)c1nc(N)sc1C Amb22500856 [0,1,0,0,0,0|3,0,0]=4 1542 B10R1.59 CC(=O)c1oc(C)cc1C Amb5494021 [0,1,0,0,0,0|3,0,0]=4 1543 B10R1.59 CC(=O)c1oc(C)cc1N Amb18832123 [0,1,0,0,0,0|3,0,0]=4 1544 B10R1.59 CC(=O)c1oc(C)nc1C Amb2691394 [0,1,0,0,0,0|3,0,0]=4 1545 B10R1.59 CC(=O)c1sc(C)cc1Br Amb18768493 [0,1,0,0,0,0|3,0,0]=4 1546 B10R1.59 CC(=O)c1sc(C)cc1F Amb18830488 [0,1,0,0,0,0|3,0,0]=4 1547 B10R1.59 CC(=O)c1sc(C)cc1N Amb18146867 [0,1,0,0,0,0|3,0,0]=4 1548 B10R1.59 CC(=O)c1sc(C)cc1O Amb18830767 [0,1,0,0,0,0|3,0,0]=4 1549 B10R1.59 CC(=O)c1sc(C)nc1Br Amb28124932 [0,1,0,0,0,0|3,0,0]=4 1550 B10R1.59 CC(=O)c1sc(C)nc1C Amb2099679 [0,1,0,0,0,0|3,0,0]=4 1551 B10R1.59 CC(=O)c1sc(C)nc1C Amb2720534 [0,1,0,0,0,0|3,0,0]=4 1552 B10R1.59 CC(=O)c1sc(C)nc1N Amb18830747 [0,1,0,0,0,0|3,0,0]=4 1553 B10R1.59 CC1=C(C(=O)O)CC(=O)N1 Amb18202774 [0,1,0,0,0,0|2,0,1]=4 1554 B10R1.59 CC1=C(C(=O)O)CC(C)O1 Amb28050045 [0,1,0,0,0,0|0,1,2]=4 1555 B10R1.59 CC1=C(C(=O)O)NC(=O)N1 Amb20243304 [0,1,0,0,0,0|3,0,0]=4 1556 B10R1.59 CC1=C(C(=O)O)OC(=O)N1 Amb28050127 [0,1,0,0,0,0|3,0,0]=4 1557 B10R1.59 CC1=C(C(=O)O)SC(=O)N1 Amb18364301 [0,1,0,0,0,0|3,0,0]=4 1558 B10R1.59 CC1=CC(C(=O)O)C(N)C1 Amb27838089 [0,1,0,0,0,0|1,0,2]=4 1559 B10R1.59 CC1=CC(C)=N\C1=C(/C)O Amb27800611 [0,1,0,0,0,0|3,0,0]=4 1560 B10R1.59 CC1=C[C@@H](C(=O)O)[C@@H](N)C1 Amb27629270 [0,1,0,0,0,0|1,0,2]=4 1561 B10R1.59 CC1=C[C@H](C(=O)O)[C@@H](N)C1 Amb27975743 [0,1,0,0,0,0|1,0,2]=4 1562 B10R1.59 CC1=NC(C(=O)O)C(C)S1 Amb28143410 [0,1,0,0,0,0|1,0,2]=4 1563 B10R1.59 CN1OC(=O)C=C1C(=O)O Amb27463089 [0,1,0,0,0,0|2,1,0]=4 1564 B10R1.59 Cc1cc(B(O)O)c(C)s1 Amb19649648 [0,1,0,0,0,0|1,0,1]=3 1565 B10R1.59 Cc1cc(Br)c(C(=O)O)s1 Amb33547929 [0,1,0,0,0,0|2,0,0]=3 1566 B10R1.59 Cc1cc(Br)oc1C(=O)O Amb6893833 [0,1,0,0,0,0|3,0,0]=4 1567 B10R1.59 Cc1cc(Br)sc1C(=O)O Amb13883762 [0,1,0,0,0,0|3,0,0]=4 1568 B10R1.59 Cc1cc(C(=N)N)c(C)o1 Amb8630608 [0,1,0,0,0,0|2,1,0]=4 1569 B10R1.59 Cc1cc(C(=N)N)c(C)s1 Amb18791604 [0,1,0,0,0,0|2,0,0]=3 1570 B10R1.59 Cc1cc(C(=N)N)c(N)o1 Amb27243097 [0,1,0,0,0,0|2,1,0]=4 1571 B10R1.59 Cc1cc(C(=O)Cl)c(C)o1 Amb2687524 [0,1,0,0,0,0|1,1,0]=3 1572 B10R1.59 Cc1cc(C(=O)Cl)c(C)s1 Amb10071431 [0,1,0,0,0,0|1,0,0]=2 1573 B10R1.59 Cc1cc(C(=O)Cl)n(C)n1 Amb2687608 [0,1,0,0,0,0|3,0,0]=4 1574 B10R1.59 Cc1cc(C(=O)O)c(Br)s1 Amb10067517 [0,1,0,0,0,0|0,0,0]=1 1575 B10R1.59 Cc1cc(C(=O)O)c(C)[se]1 Amb2611558 [0,1,0,0,0,0|0,1,0]=2 1576 B10R1.59 Cc1cc(C(=O)O)c(C)o1 Amb6335254 [0,1,0,0,0,0|0,1,0]=2 1577 B10R1.59 Cc1cc(C(=O)O)c(C)s1 Amb1154123 [0,1,0,0,0,0|0,0,0]=1 1578 B10R1.59 Cc1cc(C(=O)O)c(N)o1 Amb24593763 [0,1,0,0,0,0|0,1,0]=2 1579 B10R1.59 Cc1cc(C(=O)O)c(N)s1 Amb7969743 [0,1,0,0,0,0|0,0,0]=1 1580 B10R1.59 Cc1cc(C(=O)O)n(C)n1 Amb2687609 [0,1,0,0,0,0|2,0,0]=3 1581 B10R1.59 Cc1cc(C(=O)[O-])c(C)s1 Amb33512995 [0,1,0,0,0,0|0,0,1]=2 1582 B10R1.59 Cc1cc(C(C)Cl)c(C)s1 Amb18795530 [0,1,0,0,0,0|2,0,1]=4 1583 B10R1.59 Cc1cc(C(C)N)c(Br)s1 Amb18767133 [0,1,0,0,0,0|2,0,1]=4 1584 B10R1.59 Cc1cc(C(C)N)c(C)s1 Amb1108545 [0,1,0,0,0,0|2,0,1]=4 1585 B10R1.59 Cc1cc(C(C)N)c(C)s1 Amb33291291 [0,1,0,0,0,0|2,0,1]=4 1586 B10R1.59 Cc1cc(C(C)O)c(C)s1 Amb1110234 [0,1,0,0,0,0|1,0,1]=3 1587 B10R1.59 Cc1cc(C(C)S)c(C)s1 Amb32788049 [0,1,0,0,0,0|1,1,1]=4 1588 B10R1.59 Cc1cc(C(F)F)c(Br)s1 Amb33738240 [0,1,0,0,0,0|2,0,1]=4 1589 B10R1.59 Cc1cc(C(N)=O)c(C)s1 Amb8998272 [0,1,0,0,0,0|1,0,0]=2 1590 B10R1.59 Cc1cc(C(N)=O)c(N)s1 Amb8060581 [0,1,0,0,0,0|1,0,0]=2 1591 B10R1.59 Cc1cc(C(N)=O)n(C)n1 Amb2726089 [0,1,0,0,0,0|3,0,0]=4 1592 B10R1.59 Cc1cc(C(N)=O)n(N)c1 Amb25147622 [0,1,0,0,0,0|3,0,0]=4 1593 B10R1.59 Cc1cc(C(N)=S)c(C)o1 Amb33343265 [0,1,0,0,0,0|1,2,0]=4 1594 B10R1.59 Cc1cc(C(N)=S)c(C)s1 Amb18180339 [0,1,0,0,0,0|1,1,0]=3 1595 B10R1.59 Cc1cc(C)c(C(=O)Cl)s1 Amb26980845 [0,1,0,0,0,0|3,0,0]=4 1596 B10R1.59 Cc1cc(C)c(C(=O)O)o1 Amb839161 [0,1,0,0,0,0|2,0,0]=3 1597 B10R1.59 Cc1cc(C)c(C(=O)O)s1 Amb33533406 [0,1,0,0,0,0|2,0,0]=3 1598 B10R1.59 Cc1cc(Cl)c(C(=O)O)s1 Amb33543723 [0,1,0,0,0,0|2,0,0]=3 1599 B10R1.59 Cc1cc(F)sc1C(=O)O Amb33743832 [0,1,0,0,0,0|3,0,0]=4 1600 B10R1.59 Cc1cc(N)oc1C(=O)O Amb18831799 [0,1,0,0,0,0|3,0,0]=4 1601 B10R1.59 Cc1cc(N)sc1C(=O)O Amb18830647 [0,1,0,0,0,0|3,0,0]=4 1602 B10R1.59 Cc1cc(O)c(C(=O)O)o1 Amb28142792 [0,1,0,0,0,0|2,0,0]=3 1603 B10R1.59 Cc1cc(S(=O)O)n(C)n1 Amb32992421 [0,1,0,0,0,0|3,0,0]=4 1604 B10R1.59 Cc1cc(S(=O)[O-])c(C)o1 Amb32755291 [0,1,0,0,0,0|1,1,1]=4 1605 B10R1.59 Cc1cc(S(=O)[O-])c(C)s1 Amb26556629 [0,1,0,0,0,0|1,0,1]=3 1606 B10R1.59 Cc1cc([C@@H](C)N)c(C)s1 Amb27462842 [0,1,0,0,0,0|2,0,1]=4 1607 B10R1.59 Cc1cc([C@@H](C)O)c(C)o1 Amb28314936 [0,1,0,0,0,0|1,1,1]=4 1608 B10R1.59 Cc1cc([C@@H](C)O)c(C)s1 Amb28063054 [0,1,0,0,0,0|1,0,1]=3 1609 B10R1.59 Cc1cc([C@H](C)N)c(C)s1 Amb27768586 [0,1,0,0,0,0|2,0,1]=4 1610 B10R1.59 Cc1cc([C@H](C)O)c(C)o1 Amb25801430 [0,1,0,0,0,0|1,1,1]=4 1611 B10R1.59 Cc1cc([C@H](C)O)c(C)s1 Amb25705620 [0,1,0,0,0,0|1,0,1]=3 1612 B10R1.59 Cc1cc([N+](=O)[O-])c(Br)s1 Amb19943902 [0,1,0,0,0,0|1,0,1]=3 1613 B10R1.59 Cc1cn(C)c(C(=O)O)n1 Amb33811891 [0,1,0,0,0,0|3,0,0]=4 1614 B10R1.59 Cc1cn(C)cc1C(=O)O Amb23536228 [0,1,0,0,0,0|2,0,0]=3 1615 B10R1.59 Cc1cn(C)nc1C(=O)O Amb21963338 [0,1,0,0,0,0|3,0,0]=4 1616 B10R1.59 Cc1cn(C)nc1C(=O)O Amb28896000 [0,1,0,0,0,0|3,0,0]=4 1617 B10R1.59 Cc1nc(Br)c(C(=O)O)o1 Amb27449957 [0,1,0,0,0,0|2,0,0]=3 1618 B10R1.59 Cc1nc(Br)oc1C(=O)O Amb22494859 [0,1,0,0,0,0|3,0,0]=4 1619 B10R1.59 Cc1nc(Br)sc1C(=O)O Amb2724822 [0,1,0,0,0,0|3,0,0]=4 1620 B10R1.59 Cc1nc(C(=O)Cl)c(C)o1 Amb2723402 [0,1,0,0,0,0|2,1,0]=4 1621 B10R1.59 Cc1nc(C(=O)O)c(Br)o1 Amb10602855 [0,1,0,0,0,0|1,1,0]=3 1622 B10R1.59 Cc1nc(C(=O)O)c(Br)s1 Amb27962448 [0,1,0,0,0,0|1,0,0]=2 1623 B10R1.59 Cc1nc(C(=O)O)c(C)o1 Amb33529816 [0,1,0,0,0,0|1,1,0]=3 1624 B10R1.59 Cc1nc(C(=O)O)c(C)s1 Amb32758794 [0,1,0,0,0,0|1,0,0]=2 1625 B10R1.59 Cc1nc(C(=O)O)c(C)s1 Amb5759251 [0,1,0,0,0,0|1,0,0]=2 1626 B10R1.59 Cc1nc(C(=O)O)c(Cl)o1 Amb27191672 [0,1,0,0,0,0|1,1,0]=3 1627 B10R1.59 Cc1nc(C(=O)O)c(N)o1 Amb25888360 [0,1,0,0,0,0|1,1,0]=3 1628 B10R1.59 Cc1nc(C(=O)O)c(N)s1 Amb20671590 [0,1,0,0,0,0|1,0,0]=2 1629 B10R1.59 Cc1nc(C(=O)O)n(C)n1 Amb25761260 [0,1,0,0,0,0|3,0,0]=4 1630 B10R1.59 Cc1nc(C(C)O)c(C)s1 Amb1110707 [0,1,0,0,0,0|2,0,1]=4 1631 B10R1.59 Cc1nc(C(N)=O)c(C)s1 Amb27599106 [0,1,0,0,0,0|2,0,0]=3 1632 B10R1.59 Cc1nc(C)c(C(=O)Cl)o1 Amb20668328 [0,1,0,0,0,0|3,0,0]=4 1633 B10R1.59 Cc1nc(C)c(C(=O)Cl)s1 Amb22713431 [0,1,0,0,0,0|3,0,0]=4 1634 B10R1.59 Cc1nc(C)c(C(=O)O)o1 Amb33528144 [0,1,0,0,0,0|2,0,0]=3 1635 B10R1.59 Cc1nc(C)c(C(=O)O)s1 Amb1153019 [0,1,0,0,0,0|2,0,0]=3 1636 B10R1.59 Cc1nc(C)c(C(=O)[O-])s1 Amb33512999 [0,1,0,0,0,0|2,0,1]=4 1637 B10R1.59 Cc1nc(C)c(C(N)=O)o1 Amb24480466 [0,1,0,0,0,0|3,0,0]=4 1638 B10R1.59 Cc1nc(C)c(C(N)=O)s1 Amb4080061 [0,1,0,0,0,0|3,0,0]=4 1639 B10R1.59 Cc1nc(Cl)c(C(=O)O)s1 Amb27205272 [0,1,0,0,0,0|2,0,0]=3 1640 B10R1.59 Cc1nc(Cl)oc1C(=O)O Amb22495101 [0,1,0,0,0,0|3,0,0]=4 1641 B10R1.59 Cc1nc(Cl)sc1C(=O)O Amb534366 [0,1,0,0,0,0|3,0,0]=4 1642 B10R1.59 Cc1nc(I)oc1C(=O)O Amb22495098 [0,1,0,0,0,0|3,0,0]=4 1643 B10R1.59 Cc1nc(I)sc1C(=O)O Amb22754077 [0,1,0,0,0,0|3,0,0]=4 1644 B10R1.59 Cc1nc(N)oc1C(=O)O Amb28050292 [0,1,0,0,0,0|3,0,0]=4 1645 B10R1.59 Cc1nc(N)sc1C(=O)O Amb6315569 [0,1,0,0,0,0|3,0,0]=4 1646 B10R1.59 Cc1nc(O)c(C(=O)O)s1 Amb27657802 [0,1,0,0,0,0|2,0,0]=3 1647 B10R1.59 Cc1nc(O)sc1C(=O)O Amb17470404 [0,1,0,0,0,0|3,0,0]=4 1648 B10R1.59 Cc1nc(S(=O)[O-])c(C)s1 Amb32754770 [0,1,0,0,0,0|2,0,1]=4 1649 B10R1.59 Cc1nn(C)cc1C(=O)Cl Amb2721855 [0,1,0,0,0,0|3,0,0]=4 1650 B10R1.59 Cc1nn(C)cc1C(=O)O Amb17659423 [0,1,0,0,0,0|2,0,0]=3 1651 B10R1.59 Cc1nn(C)cc1C(N)=O Amb754328 [0,1,0,0,0,0|3,0,0]=4 1652 B10R1.59 Cc1nn(C)nc1C(=O)O Amb18862455 [0,1,0,0,0,0|3,0,0]=4 1653 B10R1.59 Cc1oc(Br)cc1C(=O)O Amb23504069 [0,1,0,0,0,0|1,1,0]=3 1654 B10R1.59 Cc1oc(Br)nc1C(=O)O Amb24480853 [0,1,0,0,0,0|2,1,0]=4 1655 B10R1.59 Cc1oc(Cl)cc1C(=O)Cl Amb27838892 [0,1,0,0,0,0|2,1,0]=4 1656 B10R1.59 Cc1oc(Cl)nc1C(=O)O Amb26984283 [0,1,0,0,0,0|2,1,0]=4 1657 B10R1.59 Cc1oc(I)cc1C(=O)O Amb28421822 [0,1,0,0,0,0|1,1,0]=3 1658 B10R1.59 Cc1sc(Br)cc1C(=O)O Amb33548711 [0,1,0,0,0,0|1,0,0]=2 1659 B10R1.59 Cc1sc(Br)cc1S(=O)[O-] Amb25914743 [0,1,0,0,0,0|2,0,1]=4 1660 B10R1.59 Cc1sc(Br)nc1C(=O)O Amb20171359 [0,1,0,0,0,0|2,0,0]=3 1661 B10R1.59 Cc1sc(Br)nc1C(N)=O Amb22500780 [0,1,0,0,0,0|3,0,0]=4 1662 B10R1.59 Cc1sc(Cl)cc1B(O)O Amb28280687 [0,1,0,0,0,0|2,0,1]=4 1663 B10R1.59 Cc1sc(Cl)cc1C(N)=O Amb27979887 [0,1,0,0,0,0|2,0,0]=3 1664 B10R1.59 Cc1sc(Cl)nc1C(=O)O Amb21964471 [0,1,0,0,0,0|2,0,0]=3 1665 B10R1.59 Cc1sc(Cl)nc1C(N)=O Amb22500776 [0,1,0,0,0,0|3,0,0]=4 1666 B10R1.59 Cc1sc(F)nc1C(=O)O Amb27842199 [0,1,0,0,0,0|2,0,0]=3 1667 B10R1.59 Cc1sc(N)cc1C(=O)O Amb18830646 [0,1,0,0,0,0|1,0,0]=2 1668 B10R1.59 Cc1sc(N)nc1C(=O)O Amb16230661 [0,1,0,0,0,0|2,0,0]=3 1669 B10R1.59 Cc1sc(N)nc1C(N)=O Amb22500861 [0,1,0,0,0,0|3,0,0]=4 1670 B10R1.59 Cc1sc(O)nc1C(=O)O Amb24709932 [0,1,0,0,0,0|2,0,0]=3 1671 B10R1.59 Cn1cc(Br)c(C(=O)O)n1 Amb1035613 [0,1,0,0,0,0|3,0,0]=4 1672 B10R1.59 Cn1cc(Br)cc1C(=O)O Amb58959 [0,1,0,0,0,0|3,0,0]=4 1673 B10R1.59 Cn1cc(C(=O)O)c(Br)n1 Amb23537400 [0,1,0,0,0,0|2,0,0]=3 1674 B10R1.59 Cn1cc(C(=O)O)c(Cl)n1 Amb18199103 [0,1,0,0,0,0|2,0,0]=3 1675 B10R1.59 Cn1cc(C(=O)O)c(I)n1 Amb27172193 [0,1,0,0,0,0|2,0,0]=3 1676 B10R1.59 Cn1cc(C(=O)O)c(N)n1 Amb10176007 [0,1,0,0,0,0|2,0,0]=3 1677 B10R1.59 Cn1cc(C(=O)O)c(O)n1 Amb27859514 [0,1,0,0,0,0|2,0,0]=3 1678 B10R1.59 Cn1cc(C(N)=O)c(Cl)n1 Amb27615077 [0,1,0,0,0,0|3,0,0]=4 1679 B10R1.59 Cn1cc(C(N)=O)c(N)n1 Amb6353517 [0,1,0,0,0,0|3,0,0]=4 1680 B10R1.59 Cn1cc(Cl)c(C(=O)O)c1 Amb18199463 [0,1,0,0,0,0|2,0,0]=3 1681 B10R1.59 Cn1cc(Cl)c(C(=O)O)n1 Amb1930293 [0,1,0,0,0,0|3,0,0]=4 1682 B10R1.59 Cn1cc(Cl)cc1C(=O)O Amb460741 [0,1,0,0,0,0|3,0,0]=4 1683 B10R1.59 Cn1cc(F)c(C(=O)O)c1 Amb27186238 [0,1,0,0,0,0|2,0,0]=3 1684 B10R1.59 Cn1cc(F)c(C(=O)O)n1 Amb27494025 [0,1,0,0,0,0|3,0,0]=4 1685 B10R1.59 Cn1cc(F)cc1C(=O)O Amb22886588 [0,1,0,0,0,0|3,0,0]=4 1686 B10R1.59 Cn1cc(I)c(C(=O)O)n1 Amb1061716 [0,1,0,0,0,0|3,0,0]=4 1687 B10R1.59 Cn1cc(I)cc1C(=O)O Amb21927495 [0,1,0,0,0,0|3,0,0]=4 1688 B10R1.59 Cn1cc(N)c(C(=O)O)c1 Amb26571343 [0,1,0,0,0,0|2,0,0]=3 1689 B10R1.59 Cn1cc(N)c(C(=O)O)n1 Amb19888977 [0,1,0,0,0,0|3,0,0]=4 1690 B10R1.59 Cn1cc(N)c(C(=O)O)n1 Amb6888575 [0,1,0,0,0,0|3,0,0]=4 1691 B10R1.59 Cn1cc(N)cc1C(=O)O Amb18278751 [0,1,0,0,0,0|3,0,0]=4 1692 B10R1.59 Cn1cc(N)cc1C(=O)O Amb30586571 [0,1,0,0,0,0|3,0,0]=4 1693 B10R1.59 Cn1cc(O)c(C(=O)O)n1 Amb18202660 [0,1,0,0,0,0|3,0,0]=4 1694 B10R1.59 Cn1nc(Br)c(C(=O)O)n1 Amb33309619 [0,1,0,0,0,0|3,0,0]=4 1695 B10R1.59 Cn1nc(Br)cc1C(=O)O Amb25110245 [0,1,0,0,0,0|3,0,0]=4 1696 B10R1.59 Cn1nc(Cl)cc1C(=O)O Amb22406004 [0,1,0,0,0,0|3,0,0]=4 1697 B10R1.59 Cn1nc(I)cc1C(=O)O Amb32658738 [0,1,0,0,0,0|3,0,0]=4 1698 B10R1.59 Cn1nc(N)cc1C(=O)O Amb24268819 [0,1,0,0,0,0|3,0,0]=4 1699 B10R1.59 Cn1nc(N)cc1C(=O)O Amb6888973 [0,1,0,0,0,0|3,0,0]=4 1700 B10R1.59 Cn1nc(O)cc1C(=O)O Amb18643794 [0,1,0,0,0,0|3,0,0]=4 1701 B10R1.59 NC(=O)C1=C(N)SC(=S)N1 Amb19815770 [0,1,0,0,0,0|3,0,0]=4 1702 B10R1.59 NC(=O)c1cc(Br)sc1Br Amb22498108 [0,1,0,0,0,0|2,0,0]=3 1703 B10R1.59 NC(=O)c1cc(Br)sc1N Amb25795458 [0,1,0,0,0,0|2,0,0]=3 1704 B10R1.59 NC(=O)c1cc(Cl)sc1Cl Amb4074563 [0,1,0,0,0,0|2,0,0]=3 1705 B10R1.59 NC(=O)c1nc(Br)sc1Br Amb10879847 [0,1,0,0,0,0|3,0,0]=4 1706 B10R1.59 NC(=O)c1nc(Br)sc1Cl Amb10879848 [0,1,0,0,0,0|3,0,0]=4 1707 B10R1.59 NC(=O)c1nc(Cl)sc1Br Amb10879853 [0,1,0,0,0,0|3,0,0]=4 1708 B10R1.59 NC(=O)c1nc(Cl)sc1Cl Amb10879852 [0,1,0,0,0,0|3,0,0]=4 1709 B10R1.59 NC(=O)c1nc(N)sc1Cl Amb22494882 [0,1,0,0,0,0|3,0,0]=4 1710 B10R1.59 NC1=C(C(=O)O)CC(=O)N1 Amb27169225 [0,1,0,0,0,0|2,0,1]=4 1711 B10R1.59 Nc1cc(Br)sc1C(=O)O Amb18117969 [0,1,0,0,0,0|3,0,0]=4 1712 B10R1.59 Nc1nc(Br)c(C(=O)O)s1 Amb27427416 [0,1,0,0,0,0|3,0,0]=4 1713 B10R1.59 Nc1nc(Br)oc1C(=O)O Amb27762619 [0,1,0,0,0,0|3,0,0]=4 1714 B10R1.59 Nc1nc(C(=O)O)c(Cl)s1 Amb10879702 [0,1,0,0,0,0|2,0,0]=3 1715 B10R1.59 Nc1nc(C(=O)O)c(F)s1 Amb27489899 [0,1,0,0,0,0|2,0,0]=3 1716 B10R1.59 Nc1nc(Cl)c(C(=O)O)o1 Amb27208597 [0,1,0,0,0,0|3,0,0]=4 1717 B10R1.59 Nc1nc(Cl)c(C(=O)O)s1 Amb22735786 [0,1,0,0,0,0|3,0,0]=4 1718 B10R1.59 Nc1nc(O)c(C(=O)O)s1 Amb28126839 [0,1,0,0,0,0|3,0,0]=4 1719 B10R1.59 Nc1sc(Br)cc1C(=O)O Amb27615095 [0,1,0,0,0,0|1,0,0]=2 1720 B10R1.59 Nc1sc(I)cc1C(=O)O Amb28348724 [0,1,0,0,0,0|1,0,0]=2 1721 B10R1.59 Nc1sc(O)nc1C(=O)O Amb26575635 [0,1,0,0,0,0|2,0,0]=3 1722 B10R1.59 Nc1sc(S)nc1C(=O)O Amb33802333 [0,1,0,0,0,0|2,0,0]=3 1723 B10R1.59 Nn1cc(Br)cc1C(=O)O Amb22295768 [0,1,0,0,0,0|3,0,0]=4 1724 B10R1.59 O=C(Cl)c1cc(Br)sc1Br Amb27594982 [0,1,0,0,0,0|2,0,0]=3 1725 B10R1.59 O=C(Cl)c1cc(Cl)sc1Cl Amb2724200 [0,1,0,0,0,0|2,0,0]=3 1726 B10R1.59 O=C(Cl)c1nc(Br)sc1Br Amb27463258 [0,1,0,0,0,0|3,0,0]=4 1727 B10R1.59 O=C(Cl)c1nc(Cl)sc1Br Amb28315580 [0,1,0,0,0,0|3,0,0]=4 1728 B10R1.59 O=C(Cl)c1nc(Cl)sc1Cl Amb24666570 [0,1,0,0,0,0|3,0,0]=4 1729 B10R1.59 O=C(O)c1cc(Br)oc1Br Amb21963379 [0,1,0,0,0,0|1,1,0]=3 1730 B10R1.59 O=C(O)c1cc(Br)sc1Br Amb33547623 [0,1,0,0,0,0|1,0,0]=2 1731 B10R1.59 O=C(O)c1cc(Br)sc1Cl Amb22491617 [0,1,0,0,0,0|1,0,0]=2 1732 B10R1.59 O=C(O)c1cc(Cl)sc1Br Amb28453706 [0,1,0,0,0,0|1,0,0]=2 1733 B10R1.59 O=C(O)c1cc(Cl)sc1Cl Amb1107527 [0,1,0,0,0,0|1,0,0]=2 1734 B10R1.59 O=C(O)c1cc(O)sc1O Amb26490560 [0,1,0,0,0,0|1,0,0]=2 1735 B10R1.59 O=C(O)c1cn(Cl)nc1Cl Amb27391746 [0,1,0,0,0,0|3,0,0]=4 1736 B10R1.59 O=C(O)c1nc(Br)oc1Br Amb25970902 [0,1,0,0,0,0|2,1,0]=4 1737 B10R1.59 O=C(O)c1nc(Br)sc1Br Amb10879713 [0,1,0,0,0,0|2,0,0]=3 1738 B10R1.59 O=C(O)c1nc(Br)sc1Cl Amb10879712 [0,1,0,0,0,0|2,0,0]=3 1739 B10R1.59 O=C(O)c1nc(Cl)sc1Br Amb10879714 [0,1,0,0,0,0|2,0,0]=3 1740 B10R1.59 O=C(O)c1nc(Cl)sc1Cl Amb33544625 [0,1,0,0,0,0|2,0,0]=3 1741 B10R1.59 O=C(O)c1nc(Cl)sc1I Amb22495235 [0,1,0,0,0,0|2,0,0]=3 1742 B10R1.59 O=C(O)c1oc(Br)cc1Br Amb4005952 [0,1,0,0,0,0|3,0,0]=4 1743 B10R1.59 O=C(O)c1sc(Br)cc1Br Amb8486046 [0,1,0,0,0,0|3,0,0]=4 1744 B10R1.59 O=C(O)c1sc(Br)cc1F Amb25293843 [0,1,0,0,0,0|3,0,0]=4 1745 B10R1.59 O=C(O)c1sc(Br)cc1I Amb25786040 [0,1,0,0,0,0|3,0,0]=4 1746 B10R1.59 O=C(O)c1sc(Br)nc1Br Amb10602531 [0,1,0,0,0,0|3,0,0]=4 1747 B10R1.59 O=C(O)c1sc(Br)nc1Cl Amb22754076 [0,1,0,0,0,0|3,0,0]=4 1748 B10R1.59 O=C(O)c1sc(Cl)cc1Br Amb22755141 [0,1,0,0,0,0|3,0,0]=4 1749 B10R1.59 O=C(O)c1sc(Cl)cc1Cl Amb26392244 [0,1,0,0,0,0|3,0,0]=4 1750 B10R1.59 O=C(O)c1sc(Cl)cc1O Amb27231791 [0,1,0,0,0,0|3,0,0]=4 1751 B10R1.59 O=C(O)c1sc(Cl)nc1Cl Amb6479173 [0,1,0,0,0,0|3,0,0]=4 1752 B10R1.59 O=C(O)c1sc(I)cc1I Amb28315890 [0,1,0,0,0,0|3,0,0]=4 1753 B10R1.59 O=C(O)c1sc(S)nc1Cl Amb27175482 [0,1,0,0,0,0|3,0,0]=4 1754 B10R1.59 O=C([O-])c1cc(Cl)sc1Cl Amb33513274 [0,1,0,0,0,0|1,0,1]=3 1755 B10R1.59 O=S([O-])c1cc(Br)sc1Br Amb26464306 [0,1,0,0,0,0|2,0,1]=4 1756 B10R1.59 O=S([O-])c1cc(Br)sc1Cl Amb32754616 [0,1,0,0,0,0|2,0,1]=4 1757 B10R1.59 O=S([O-])c1cc(Cl)sc1Cl Amb2686986 [0,1,0,0,0,0|2,0,1]=4 1758 B10R1.59 O=[N+]([O-])c1cc(Cl)sc1Cl Amb5719920 [0,1,0,0,0,0|2,0,1]=4 1759 B10R1.59 OB(O)c1cc(Cl)sc1Br Amb28435206 [0,1,0,0,0,0|2,0,1]=4 1760 B10R1.59 OB(O)c1cc(Cl)sc1Cl Amb21929202 [0,1,0,0,0,0|2,0,1]=4 1761 B10R1.194 C=C1C(=O)OC=C1C(=O)O Amb2608976 [0,1,0,0,0,0|1,1,0]=3 1762 B10R1.194 CC(=O)c1ccc(C)n1C Amb18203057 [0,1,0,0,0,0|3,0,0]=4 1763 B10R1.194 CC(=O)c1ccn(C)c1C Amb26980846 [0,1,0,0,0,0|3,0,0]=4 1764 B10R1.194 CC(=O)c1ccn(C)c1O Amb25064641 [0,1,0,0,0,0|3,0,0]=4 1765 B10R1.194 CC(=O)c1cnc(C)n1C Amb8393413 [0,1,0,0,0,0|3,0,0]=4 1766 B10R1.194 CC(=O)c1cnn(C)c1Br Amb28054131 [0,1,0,0,0,0|3,0,0]=4 1767 B10R1.194 CC(=O)c1cnn(C)c1C Amb1161947 [0,1,0,0,0,0|3,0,0]=4 1768 B10R1.194 CC(=O)c1cnn(C)c1N Amb19149195 [0,1,0,0,0,0|3,0,0]=4 1769 B10R1.194 CC(=O)c1cnn(C)c1S Amb28195314 [0,1,0,0,0,0|3,0,0]=4 1770 B10R1.194 CC(=O)c1csc(Br)c1Br Amb22498429 [0,1,0,0,0,0|2,0,0]=3 1771 B10R1.194 CC(=O)c1csc(Cl)c1Cl Amb5719854 [0,1,0,0,0,0|2,0,0]=3 1772 B10R1.194 CC(=O)c1noc(C)c1C Amb27459346 [0,1,0,0,0,0|2,1,0]=4 1773 B10R1.194 CC(=O)c1noc(C)c1Cl Amb25132726 [0,1,0,0,0,0|2,1,0]=4 1774 B10R1.194 CC(=O)c1onc(C)c1C Amb18671881 [0,1,0,0,0,0|3,0,0]=4 1775 B10R1.194 CC(=O)c1onc(C)c1Cl Amb26338253 [0,1,0,0,0,0|3,0,0]=4 1776 B10R1.194 CC(=O)c1scc(C)c1Br Amb33433469 [0,1,0,0,0,0|3,0,0]=4 1777 B10R1.194 CC(=O)c1scc(C)c1C Amb18830970 [0,1,0,0,0,0|3,0,0]=4 1778 B10R1.194 CC(=O)c1scc(C)c1Cl Amb25937849 [0,1,0,0,0,0|3,0,0]=4 1779 B10R1.194 CC(=O)c1scc(C)c1N Amb26535501 [0,1,0,0,0,0|3,0,0]=4 1780 B10R1.194 CC(=O)c1snc(C)c1Br Amb27826337 [0,1,0,0,0,0|3,0,0]=4 1781 B10R1.194 CC1=C(C(=O)O)NNC1=O Amb19550610 [0,1,0,0,0,0|3,0,0]=4 1782 B10R1.194 CC1=C(C(=O)O)SSC1=S Amb28436664 [0,1,0,0,0,0|2,0,0]=3 1783 B10R1.194 CC1=[N+](C)[C@H](C(=O)O)CS1 Amb27392328 [0,1,0,0,0,0|1,0,2]=4 1784 B10R1.194 CC1CC=C(C(=O)O)C1C Amb27607553 [0,1,0,0,0,0|1,0,2]=4 1785 B10R1.194 CC1CCC(C(=O)O)=C1Cl Amb28049395 [0,1,0,0,0,0|1,0,2]=4 1786 B10R1.194 CN1C(=O)NC=C1C(=O)O Amb18148255 [0,1,0,0,0,0|3,0,0]=4 1787 B10R1.194 Cc1c(Br)csc1C(=O)O Amb2685345 [0,1,0,0,0,0|3,0,0]=4 1788 B10R1.194 Cc1c(Br)csc1C(=O)O Amb29599234 [0,1,0,0,0,0|3,0,0]=4 1789 B10R1.194 Cc1c(Br)noc1C(=O)O Amb35750013 [0,1,0,0,0,0|3,0,0]=4 1790 B10R1.194 Cc1c(C(=O)Cl)cnn1C Amb6335895 [0,1,0,0,0,0|3,0,0]=4 1791 B10R1.194 Cc1c(C(=O)O)ccn1C Amb18832115 [0,1,0,0,0,0|2,0,0]=3 1792 B10R1.194 Cc1c(C(=O)O)cnn1C Amb1080879 [0,1,0,0,0,0|2,0,0]=3 1793 B10R1.194 Cc1c(C(=O)O)coc1Br Amb28255748 [0,1,0,0,0,0|1,1,0]=3 1794 B10R1.194 Cc1c(C(=O)O)csc1Br Amb26320492 [0,1,0,0,0,0|1,0,0]=2 1795 B10R1.194 Cc1c(C(=O)O)csc1N Amb27425082 [0,1,0,0,0,0|1,0,0]=2 1796 B10R1.194 Cc1c(C(=O)O)ncn1C Amb21858190 [0,1,0,0,0,0|3,0,0]=4 1797 B10R1.194 Cc1c(C(=O)O)nnn1C Amb33529490 [0,1,0,0,0,0|3,0,0]=4 1798 B10R1.194 Cc1c(C(=O)O)noc1N Amb26485654 [0,1,0,0,0,0|2,1,0]=4 1799 B10R1.194 Cc1c(C(=O)O)noc1O Amb27622492 [0,1,0,0,0,0|2,1,0]=4 1800 B10R1.194 Cc1c(C(N)=O)ccn1C Amb28050184 [0,1,0,0,0,0|3,0,0]=4 1801 B10R1.194 Cc1c(C(N)=O)cnn1C Amb8998981 [0,1,0,0,0,0|3,0,0]=4 1802 B10R1.194 Cc1c(I)csc1C(=O)O Amb22755166 [0,1,0,0,0,0|3,0,0]=4 1803 B10R1.194 Cc1c(N)csc1C(=O)O Amb18830627 [0,1,0,0,0,0|3,0,0]=4 1804 B10R1.194 Cc1ccc(C(=O)O)n1C Amb33545041 [0,1,0,0,0,0|2,0,0]=3 1805 B10R1.194 Cc1ccc(C(N)=O)n1C Amb13951521 [0,1,0,0,0,0|3,0,0]=4 1806 B10R1.194 Cc1ccc(C(N)=O)n1N Amb26579234 [0,1,0,0,0,0|3,0,0]=4 1807 B10R1.194 Cc1cnc(C(=O)O)n1C Amb25109322 [0,1,0,0,0,0|3,0,0]=4 1808 B10R1.194 Cc1coc(C(=O)O)c1C Amb25713755 [0,1,0,0,0,0|2,0,0]=3 1809 B10R1.194 Cc1csc(C(=O)Cl)c1Cl Amb2724299 [0,1,0,0,0,0|3,0,0]=4 1810 B10R1.194 Cc1csc(C(=O)O)c1Br Amb22755101 [0,1,0,0,0,0|2,0,0]=3 1811 B10R1.194 Cc1csc(C(=O)O)c1C Amb18830772 [0,1,0,0,0,0|2,0,0]=3 1812 B10R1.194 Cc1csc(C(=O)O)c1Cl Amb2686259 [0,1,0,0,0,0|2,0,0]=3 1813 B10R1.194 Cc1csc(C(=O)O)c1F Amb27965752 [0,1,0,0,0,0|2,0,0]=3 1814 B10R1.194 Cc1csc(C(=O)O)c1I Amb22754613 [0,1,0,0,0,0|2,0,0]=3 1815 B10R1.194 Cc1csc(C(=O)O)c1N Amb21857967 [0,1,0,0,0,0|2,0,0]=3 1816 B10R1.194 Cc1csc(C(=O)[O-])c1I Amb2691833 [0,1,0,0,0,0|2,0,1]=4 1817 B10R1.194 Cc1csc(C(N)=O)c1N Amb20670064 [0,1,0,0,0,0|3,0,0]=4 1818 B10R1.194 Cc1ncc(C(=O)O)n1C Amb10603361 [0,1,0,0,0,0|2,0,0]=3 1819 B10R1.194 Cc1ncc(C(=O)O)n1C Amb30594381 [0,1,0,0,0,0|2,0,0]=3 1820 B10R1.194 Cc1nnc(C(=O)O)n1C Amb27653375 [0,1,0,0,0,0|3,0,0]=4 1821 B10R1.194 Cc1noc(C(=O)O)c1Br Amb23440621 [0,1,0,0,0,0|2,0,0]=3 1822 B10R1.194 Cc1noc(C(=O)O)c1C Amb6890493 [0,1,0,0,0,0|2,0,0]=3 1823 B10R1.194 Cc1noc(C(=O)O)c1Cl Amb18126310 [0,1,0,0,0,0|2,0,0]=3 1824 B10R1.194 Cc1noc(C(=O)O)c1I Amb35788459 [0,1,0,0,0,0|2,0,0]=3 1825 B10R1.194 Cc1noc(C(=O)O)c1N Amb18643790 [0,1,0,0,0,0|2,0,0]=3 1826 B10R1.194 Cc1noc(C(N)=O)c1Br Amb23589524 [0,1,0,0,0,0|3,0,0]=4 1827 B10R1.194 Cc1noc(C(N)=O)c1Cl Amb25760767 [0,1,0,0,0,0|3,0,0]=4 1828 B10R1.194 Cc1nsc(C(=O)O)c1Br Amb17596042 [0,1,0,0,0,0|2,0,0]=3 1829 B10R1.194 Cc1nsc(C(=O)O)c1Cl Amb17594513 [0,1,0,0,0,0|2,0,0]=3 1830 B10R1.194 Cc1nsc(C(=O)O)c1N Amb10604961 [0,1,0,0,0,0|2,0,0]=3 1831 B10R1.194 Cc1nsc(C(=O)O)c1N Amb22371573 [0,1,0,0,0,0|2,0,0]=3 1832 B10R1.194 Cc1nsc(C(N)=O)c1N Amb26641823 [0,1,0,0,0,0|3,0,0]=4 1833 B10R1.194 Cc1onc(C(=O)O)c1Br Amb19375397 [0,1,0,0,0,0|1,1,0]=3 1834 B10R1.194 Cc1onc(C(=O)O)c1C Amb1945733 [0,1,0,0,0,0|1,1,0]=3 1835 B10R1.194 Cc1onc(C(=O)O)c1Cl Amb24277090 [0,1,0,0,0,0|1,1,0]=3 1836 B10R1.194 Cc1onc(C(=O)O)c1I Amb24748312 [0,1,0,0,0,0|1,1,0]=3 1837 B10R1.194 Cc1onc(C(=O)O)c1N Amb18202654 [0,1,0,0,0,0|1,1,0]=3 1838 B10R1.194 Cc1onc(C(N)=O)c1Cl Amb27463951 [0,1,0,0,0,0|2,1,0]=4 1839 B10R1.194 Cc1scc(C(=O)Cl)c1C Amb16230126 [0,1,0,0,0,0|1,0,0]=2 1840 B10R1.194 Cc1scc(C(=O)O)c1Br Amb18677791 [0,1,0,0,0,0|0,0,0]=1 1841 B10R1.194 Cc1scc(C(=O)O)c1C Amb6497427 [0,1,0,0,0,0|0,0,0]=1 1842 B10R1.194 Cc1scc(C(=O)O)c1F Amb27851711 [0,1,0,0,0,0|0,0,0]=1 1843 B10R1.194 Cc1scc(C(=O)O)c1N Amb22728694 [0,1,0,0,0,0|0,0,0]=1 1844 B10R1.194 Cc1scc(C(=O)O)c1N Amb33338784 [0,1,0,0,0,0|0,0,0]=1 1845 B10R1.194 Cc1scc(C(C)O)c1C Amb27630945 [0,1,0,0,0,0|1,0,1]=3 1846 B10R1.194 Cc1scc(C(N)=O)c1C Amb22550987 [0,1,0,0,0,0|1,0,0]=2 1847 B10R1.194 Cn1c(Br)ccc1C(=O)O Amb17595416 [0,1,0,0,0,0|3,0,0]=4 1848 B10R1.194 Cn1c(C(=O)O)cnc1Br Amb16230682 [0,1,0,0,0,0|3,0,0]=4 1849 B10R1.194 Cn1c(C(=O)O)cnc1Cl Amb28043769 [0,1,0,0,0,0|3,0,0]=4 1850 B10R1.194 Cn1c(C(=O)O)cnc1N Amb17212735 [0,1,0,0,0,0|3,0,0]=4 1851 B10R1.194 Cn1c(C(=O)O)cnc1O Amb18862463 [0,1,0,0,0,0|3,0,0]=4 1852 B10R1.194 Cn1c(C(=O)O)cnc1S Amb18830506 [0,1,0,0,0,0|3,0,0]=4 1853 B10R1.194 Cn1c(Cl)ccc1C(=O)O Amb18199516 [0,1,0,0,0,0|3,0,0]=4 1854 B10R1.194 Cn1c(N)ccc1C(=O)O Amb27445912 [0,1,0,0,0,0|3,0,0]=4 1855 B10R1.194 Cn1ccc(C(=O)O)c1N Amb28047577 [0,1,0,0,0,0|2,0,0]=3 1856 B10R1.194 Cn1cnc(C(=O)O)c1N Amb9782531 [0,1,0,0,0,0|3,0,0]=4 1857 B10R1.194 Cn1ncc(C(=O)Cl)c1Cl Amb2686241 [0,1,0,0,0,0|3,0,0]=4 1858 B10R1.194 Cn1ncc(C(=O)O)c1Br Amb22264124 [0,1,0,0,0,0|2,0,0]=3 1859 B10R1.194 Cn1ncc(C(=O)O)c1Cl Amb2686242 [0,1,0,0,0,0|2,0,0]=3 1860 B10R1.194 Cn1ncc(C(=O)O)c1F Amb23541332 [0,1,0,0,0,0|2,0,0]=3 1861 B10R1.194 Cn1ncc(C(=O)O)c1I Amb27394466 [0,1,0,0,0,0|2,0,0]=3 1862 B10R1.194 Cn1ncc(C(=O)O)c1N Amb1159440 [0,1,0,0,0,0|2,0,0]=3 1863 B10R1.194 Cn1ncc(C(=O)O)c1O Amb18065306 [0,1,0,0,0,0|2,0,0]=3 1864 B10R1.194 Cn1ncc(C(=O)O)c1S Amb26008084 [0,1,0,0,0,0|2,0,0]=3 1865 B10R1.194 Cn1ncc(C(N)=O)c1Cl Amb25842335 [0,1,0,0,0,0|3,0,0]=4 1866 B10R1.194 Cn1ncc(C(N)=O)c1I Amb27854844 [0,1,0,0,0,0|3,0,0]=4 1867 B10R1.194 Cn1ncc(C(N)=O)c1N Amb1158379 [0,1,0,0,0,0|3,0,0]=4 1868 B10R1.194 Cn1ncc(C(N)=O)c1O Amb28435402 [0,1,0,0,0,0|3,0,0]=4 1869 B10R1.194 Cn1ncc(S(=O)O)c1Cl Amb32992422 [0,1,0,0,0,0|3,0,0]=4 1870 B10R1.194 Cn1nnc(C(=O)O)c1N Amb27148026 [0,1,0,0,0,0|3,0,0]=4 1871 B10R1.194 NC(=O)c1csc(Br)c1Br Amb22498428 [0,1,0,0,0,0|2,0,0]=3 1872 B10R1.194 NC(=O)c1nsc(Cl)c1Cl Amb1054991 [0,1,0,0,0,0|3,0,0]=4 1873 B10R1.194 Nc1c(Br)csc1C(=O)O Amb28397999 [0,1,0,0,0,0|3,0,0]=4 1874 B10R1.194 Nc1c(Br)noc1C(=O)O Amb18176387 [0,1,0,0,0,0|3,0,0]=4 1875 B10R1.194 Nc1c(C(=O)O)noc1Br Amb18176375 [0,1,0,0,0,0|2,1,0]=4 1876 B10R1.194 Nc1c(Cl)csc1C(=O)O Amb33804095 [0,1,0,0,0,0|3,0,0]=4 1877 B10R1.194 Nc1c([N+](=O)[O-])csc1Br Amb18762595 [0,1,0,0,0,0|2,0,1]=4 1878 B10R1.194 Nc1noc(C(=O)O)c1Br Amb18176127 [0,1,0,0,0,0|3,0,0]=4 1879 B10R1.194 Nc1onc(C(=O)O)c1Br Amb18176381 [0,1,0,0,0,0|2,1,0]=4 1880 B10R1.194 Nc1onc(C(=O)O)c1Cl Amb27636700 [0,1,0,0,0,0|2,1,0]=4 1881 B10R1.194 O=C(Cl)c1nsc(Cl)c1Cl Amb24481089 [0,1,0,0,0,0|3,0,0]=4 1882 B10R1.194 O=C(O)C1=C(Br)C(=O)ON1 Amb27624917 [0,1,0,0,0,0|2,1,0]=4 1883 B10R1.194 O=C(O)c1coc(Br)c1F Amb28286743 [0,1,0,0,0,0|1,1,0]=3 1884 B10R1.194 O=C(O)c1csc(Br)c1Br Amb2642670 [0,1,0,0,0,0|1,0,0]=2 1885 B10R1.194 O=C(O)c1csc(Br)c1Cl Amb33482745 [0,1,0,0,0,0|1,0,0]=2 1886 B10R1.194 O=C(O)c1csc(Br)c1F Amb27865699 [0,1,0,0,0,0|1,0,0]=2 1887 B10R1.194 O=C(O)c1csc(Cl)c1Cl Amb2384027 [0,1,0,0,0,0|1,0,0]=2 1888 B10R1.194 O=C(O)c1csc(I)c1Br Amb32671245 [0,1,0,0,0,0|1,0,0]=2 1889 B10R1.194 O=C(O)c1occ(Cl)c1Cl Amb4015068 [0,1,0,0,0,0|3,0,0]=4 1890 B10R1.194 O=C(O)c1occ(O)c1O Amb28050064 [0,1,0,0,0,0|3,0,0]=4 1891 B10R1.194 O=C(O)c1onc(O)c1Cl Amb27193872 [0,1,0,0,0,0|3,0,0]=4 1892 B10R1.194 O=C(O)c1scc(Br)c1Br Amb8486048 [0,1,0,0,0,0|3,0,0]=4 1893 B10R1.194 O=C(O)c1scc(Br)c1O Amb25103760 [0,1,0,0,0,0|3,0,0]=4 1894 B10R1.194 O=C(O)c1scc(Cl)c1Cl Amb5720906 [0,1,0,0,0,0|3,0,0]=4 1895 B10R1.194 O=C(O)c1scc(I)c1I Amb2611684 [0,1,0,0,0,0|3,0,0]=4 1896 B10R1.194 O=C(O)c1snc(Br)c1Br Amb19943920 [0,1,0,0,0,0|3,0,0]=4 1897 B10R1.194 O=C(O)c1snc(Cl)c1Cl Amb2686874 [0,1,0,0,0,0|3,0,0]=4 1898 B10R1.194 O=C(O)c1snc(O)c1Cl Amb33543816 [0,1,0,0,0,0|3,0,0]=4 1899 B10R1.470 CC(=O)C1([Na])C=CC(C)=C1 Amb27622509 [0,1,0,0,0,0|2,0,1]=4 1900 B10R1.470 CC1=NC(C)(C(=O)O)CS1 Amb27837949 [0,1,0,0,0,0|1,0,2]=4 1901 B10R1.470 CC1=N[C@](C)(C(=O)O)CS1 Amb28384082 [0,1,0,0,0,0|1,0,2]=4 1902 B8R0.8 C=C(CCCC)C(=O)O Amb18642649 [0,0,1,0,0,0|1,0,2]=4 1903 B8R0.8 C=C(CCOC)C(=O)O Amb26588153 [0,0,1,0,0,0|2,0,1]=4 1904 B8R0.8 C=C(CCSC)C(=O)O Amb27188177 [0,0,1,0,0,0|2,0,1]=4 1905 B8R0.8 C=C(COCC)C(=O)O Amb27444042 [0,0,1,0,0,0|0,1,2]=4 1906 B8R0.8 C=C(CSCC)C(=O)O Amb26023918 [0,0,1,0,0,0|0,0,2]=3 1907 B8R0.8 C=C(OCOC)C(=O)O Amb27467648 [0,0,1,0,0,0|3,0,0]=4 1908 B8R0.8 C=C(\C=C\CC)C(=O)O Amb33267978 [0,0,1,0,0,0|1,0,1]=3 1909 B8R0.8 C=C(\C=C\CC)C(C)=O Amb25074493 [0,0,1,0,0,0|2,0,1]=4 1910 B8R0.8 CCC\C=C(/Br)C(=O)O Amb27816159 [0,0,1,0,0,0|2,0,1]=4 1911 B8R0.8 CCC\C=C(/C)C(=O)O Amb10844998 [0,0,1,0,0,0|1,0,2]=4 1912 B8R0.8 CCC\C=C(\F)C(=O)O Amb27448669 [0,0,1,0,0,0|2,0,1]=4 1913 B8R0.8 CCO\C=C(/Br)C(=O)O Amb27198193 [0,0,1,0,0,0|1,1,1]=4 1914 B8R0.8 CCO\C=C(/C)C(=O)O Amb27249542 [0,0,1,0,0,0|0,1,2]=4 1915 B8R0.8 CCO\C=C(\Br)C(=O)O Amb27645304 [0,0,1,0,0,0|1,1,1]=4 1916 B8R0.8 CC\C=C\C(=O)C(=O)O Amb27486094 [0,0,1,0,0,0|2,0,1]=4 1917 B8R0.8 COC\C=C(\Br)C(=O)O Amb24580462 [0,0,1,0,0,0|3,0,0]=4 1918 B8R0.8 COC\C=C(\C)C(=O)O Amb27169036 [0,0,1,0,0,0|2,0,1]=4 1919 B8R0.8 COC\C=C(\F)C(=O)O Amb27872029 [0,0,1,0,0,0|3,0,0]=4 1920 B8R0.8 C\C=C/CC(=O)C(=O)O Amb27450808 [0,0,1,0,0,0|2,0,1]=4 1921 B8R0.8 C\C=C\C=C(/C)C(=O)O Amb27468745 [0,0,1,0,0,0|1,0,1]=3 1922 B8R0.8 C\C=C\C=C(/C)C(C)=O Amb27802596 [0,0,1,0,0,0|2,0,1]=4 1923 B8R0.8 C\C=C\C=C(/C)C(N)=O Amb27393697 [0,0,1,0,0,0|2,0,1]=4 1924 B8R0.8 C\C=C\C=C(/F)C(=O)O Amb27216973 [0,0,1,0,0,0|2,0,0]=3 1925 B8R0.8 C\C=C\C=C(/O)C(=O)O Amb28368858 [0,0,1,0,0,0|2,0,0]=3 1926 B8R0.8 C\C=C\CC(=O)C(=O)O Amb18642583 [0,0,1,0,0,0|2,0,1]=4 1927 B8R0.8 O=C(O)\C(O)=C\C=C\Br Amb28048233 [0,0,1,0,0,0|3,0,0]=4 1928 B8R0.9 C=C(\C=C\C(=O)O)CC Amb27229488 [0,0,1,0,0,0|1,0,2]=4 1929 B8R0.9 C=CC(=O)\C=C\C(C)=O Amb24061722 [0,0,1,0,0,0|3,0,0]=4 1930 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,0,1,0,0,0|1,0,1]=3 1931 B8R0.9 CC(\C=C\C(=O)O)=C/Br Amb27650571 [0,0,1,0,0,0|2,0,0]=3 1932 B8R0.9 CC(\C=C\C(=O)O)CN Amb27234754 [0,0,1,0,0,0|2,0,1]=4 1933 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,0,1,0,0,0|2,0,1]=4 1934 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,0,1,0,0,0|2,0,1]=4 1935 B8R0.9 CCC(C)\C=C\C(=O)O Amb33171963 [0,0,1,0,0,0|1,0,2]=4 1936 B8R0.9 CC[C@@H](C)\C=C\C(=O)O Amb24117189 [0,0,1,0,0,0|1,0,2]=4 1937 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,0,1,0,0,0|1,0,2]=4 1938 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,0,1,0,0,0|2,0,1]=4 1939 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,0,1,0,0,0|2,0,1]=4 1940 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,0,1,0,0,0|1,1,1]=4 1941 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,0,1,0,0,0|1,1,1]=4 1942 B8R0.9 COC(C)\C=C\C(=O)O Amb27203687 [0,0,1,0,0,0|0,1,2]=4 1943 B8R0.9 CON(C)\C=C\C(=O)O Amb35734889 [0,0,1,0,0,0|1,1,1]=4 1944 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,0,1,0,0,0|0,1,2]=4 1945 B8R0.9 CSC(=O)\C=C/C(C)=O Amb27256793 [0,0,1,0,0,0|2,0,1]=4 1946 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,0,1,0,0,0|2,0,1]=4 1947 B8R0.9 C\C=C(C)/C=C/C(=O)O Amb27838460 [0,0,1,0,0,0|1,0,1]=3 1948 B8R0.9 C\C=C(C)/C=C/C(C)=O Amb27428251 [0,0,1,0,0,0|2,0,1]=4 1949 B8R0.9 C\C=C(C)\C=C/C(C)=O Amb28199822 [0,0,1,0,0,0|2,0,1]=4 1950 B8R0.9 C\C=C(C)\C=C\C(=O)O Amb18642399 [0,0,1,0,0,0|1,0,1]=3 1951 B8R0.9 C\C=C(Cl)\C=C\C(=O)O Amb28137785 [0,0,1,0,0,0|2,0,1]=4 1952 B8R0.9 C\C=C(F)\C=C\C(=O)O Amb27826588 [0,0,1,0,0,0|2,0,1]=4 1953 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,0,1,0,0,0|3,0,0]=4 1954 B8R0.15 C=CC(\C=C\C)C(=O)O Amb27214636 [0,0,1,0,0,0|1,0,1]=3 1955 B8R0.15 C=C\C(=C\C=O)C(=O)O Amb27789887 [0,0,1,0,0,0|2,0,0]=3 1956 B8R0.15 C=C\C(=C\SC)C(C)=O Amb24752730 [0,0,1,0,0,0|3,0,0]=4 1957 B8R0.15 C=C\C=C(/C#N)C(=O)O Amb26642183 [0,0,1,0,0,0|1,0,2]=4 1958 B8R0.15 CC=C=C(CC)C(=O)O Amb28289600 [0,0,1,0,0,0|1,0,2]=4 1959 B8R0.15 CC\C(=C/OC)C(=O)O Amb28369278 [0,0,1,0,0,0|2,0,1]=4 1960 B8R0.15 CC\C=C(\CC)C(=O)O Amb27195307 [0,0,1,0,0,0|1,0,2]=4 1961 B8R0.15 C\C=C(/CNC)C(=O)O Amb27881689 [0,0,1,0,0,0|2,0,1]=4 1962 B8R0.15 C\C=C(/OCC)C(=O)O Amb18642768 [0,0,1,0,0,0|2,0,1]=4 1963 B8R0.15 C\C=C(\CNC)C(=O)O Amb27954442 [0,0,1,0,0,0|2,0,1]=4 1964 B8R0.15 C\C=C\[C@@H](CC)C(=O)O Amb28388676 [0,0,1,0,0,0|1,0,2]=4 1965 B8R0.23 C=C(C)CC(=C)C(C)=O Amb27215898 [0,0,1,0,0,0|2,0,1]=4 1966 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,0,1,0,0,0|2,0,1]=4 1967 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,1,0,0,0|1,1,1]=4 1968 B8R0.23 C=C(CC(C)C)C(=O)O Amb33542856 [0,0,1,0,0,0|1,0,2]=4 1969 B8R0.23 C=C(CN(C)C)C(=O)O Amb33544507 [0,0,1,0,0,0|2,0,1]=4 1970 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,0,1,0,0,0|1,1,1]=4 1971 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,0,1,0,0,0|1,1,0]=3 1972 B8R0.23 C=C(NC(C)=O)C(N)=O Amb27984135 [0,0,1,0,0,0|2,1,0]=4 1973 B8R0.23 C=C(OC(C)=O)C(C)=O Amb27838658 [0,0,1,0,0,0|2,1,0]=4 1974 B8R0.23 C=C(SC(=N)N)C(=O)O Amb27181152 [0,0,1,0,0,0|3,0,0]=4 1975 B8R0.23 CC(=O)C(=O)C=C(C)C Amb27843950 [0,0,1,0,0,0|3,0,0]=4 1976 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,1,0,0,0|1,1,1]=4 1977 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,0,1,0,0,0|0,1,1]=3 1978 B8R0.23 CC(=O)\C=C(/C)[PH](=O)O Amb27838812 [0,0,1,0,0,0|1,1,1]=4 1979 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,0,1,0,0,0|1,1,0]=3 1980 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,0,1,0,0,0|1,1,0]=3 1981 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,0,1,0,0,0|1,1,0]=3 1982 B8R0.23 CC(=O)\C=C(\C)[PH](=O)O Amb28248338 [0,0,1,0,0,0|1,1,1]=4 1983 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,0,1,0,0,0|1,1,0]=3 1984 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,0,1,0,0,0|2,0,1]=4 1985 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,0,1,0,0,0|2,0,1]=4 1986 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,0,1,0,0,0|2,0,1]=4 1987 B8R0.23 CC(C)\C=C(/F)C(=O)O Amb34913203 [0,0,1,0,0,0|2,0,1]=4 1988 B8R0.23 CC(C)\C=C(\Br)C(=O)O Amb27789870 [0,0,1,0,0,0|2,0,1]=4 1989 B8R0.23 CC(C)\C=C(\F)C(=O)O Amb27838509 [0,0,1,0,0,0|2,0,1]=4 1990 B8R0.23 CC(Cl)\C=C(\O)C(=O)O Amb27658885 [0,0,1,0,0,0|2,0,1]=4 1991 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,0,1,0,0,0|1,1,1]=4 1992 B8R0.23 C\C(=C/C(C)C)C(=O)O Amb18642616 [0,0,1,0,0,0|1,0,2]=4 1993 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,0,1,0,0,0|1,1,1]=4 1994 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,0,1,0,0,0|1,1,1]=4 1995 B8R0.23 C\C(=C\C(C)N)C(=O)O Amb25731207 [0,0,1,0,0,0|1,0,2]=4 1996 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,0,1,0,0,0|1,0,2]=4 1997 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,0,1,0,0,0|2,0,1]=4 1998 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,0,1,0,0,0|2,1,0]=4 1999 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,0,1,0,0,0|2,1,0]=4 2000 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,0,1,0,0,0|2,1,0]=4 2001 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,0,1,0,0,0|2,1,0]=4 2002 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,0,1,0,0,0|2,1,0]=4 2003 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,0,1,0,0,0|2,1,0]=4 2004 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,0,1,0,0,0|2,1,0]=4 2005 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,0,1,0,0,0|2,1,0]=4 2006 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,1,0,0,0|1,0,2]=4 2007 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,1,0,0,0|2,0,1]=4 2008 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,1,0,0,0|1,0,0]=2 2009 B8R0.28 C=C(C)\C=C\CC(=C)C Amb26568302 [0,0,1,0,0,0|3,0,0]=4 2010 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,1,0,0,0|1,0,1]=3 2011 B8R0.28 C=C(C)\C=C\CC(C)=O Amb24744667 [0,0,1,0,0,0|2,0,1]=4 2012 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,1,0,0,0|2,1,0]=4 2013 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,1,0,0,0|1,0,2]=4 2014 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,1,0,0,0|1,0,0]=2 2015 B8R0.28 CC(=O)\C=C/C=C(C)C Amb28198620 [0,0,1,0,0,0|2,0,1]=4 2016 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,0,1,0,0,0|2,1,0]=4 2017 B8R0.28 CC(=O)\C=C\C=C(C)C Amb26890921 [0,0,1,0,0,0|2,0,1]=4 2018 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,1,0,0,0|2,0,1]=4 2019 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,0,1,0,0,0|1,0,1]=3 2020 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [0,0,1,0,0,0|1,0,2]=4 2021 B8R0.28 CC(C)S\C=C\C(=O)O Amb27838559 [0,0,1,0,0,0|0,0,2]=3 2022 B8R0.28 CC(N)C\C=C\C(=O)O Amb27863954 [0,0,1,0,0,0|2,0,1]=4 2023 B8R0.28 CN(C)C\C=C/C(=O)O Amb26347338 [0,0,1,0,0,0|2,0,1]=4 2024 B8R0.28 CN(C)C\C=C\C(=O)O Amb15695416 [0,0,1,0,0,0|2,0,1]=4 2025 B8R0.28 CN(C)C\C=C\C(=O)O Amb33716600 [0,0,1,0,0,0|2,0,1]=4 2026 B8R0.28 CN(C)C\C=C\C(=O)O Amb8395946 [0,0,1,0,0,0|2,0,1]=4 2027 B8R0.28 C[C@H](N)C\C=C\C(=O)O Amb27784845 [0,0,1,0,0,0|2,0,1]=4 2028 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,1,0,0,0|2,0,1]=4 2029 B8R0.28 N=C(N)S\C=C/C(=O)O Amb28314144 [0,0,1,0,0,0|2,0,0]=3 2030 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,1,0,0,0|3,0,0]=4 2031 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,1,0,0,0|3,0,0]=4 2032 B8R0.28 NC(=S)S\C=C/C(=O)O Amb28325316 [0,0,1,0,0,0|2,0,0]=3 2033 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,0,1,0,0,0|2,0,0]=3 2034 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,1,0,0,0|3,0,0]=4 2035 B8R0.28 O=C(O)\C=C\C=C(Cl)Cl Amb27478030 [0,0,1,0,0,0|3,0,0]=4 2036 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,1,0,0,0|3,0,0]=4 2037 B10R2.14 Brc1cc(C2CO2)cs1 Amb25972884 [0,0,0,1,0,0|2,0,1]=4 2038 B10R2.14 Brc1cc([C@@H]2CO2)cs1 Amb33433555 [0,0,0,1,0,0|2,0,1]=4 2039 B10R2.14 Brc1cc([C@H]2CO2)cs1 Amb33433614 [0,0,0,1,0,0|2,0,1]=4 2040 B10R2.14 Cc1nc(C2CO2)cs1 Amb27475780 [0,0,0,1,0,0|2,0,1]=4 2041 B10R2.14 Cc1nc([C@@H]2CO2)cs1 Amb33325850 [0,0,0,1,0,0|2,0,1]=4 2042 B10R2.14 Cc1nc([C@H]2CO2)cs1 Amb33325851 [0,0,0,1,0,0|2,0,1]=4 2043 B10R2.14 Clc1cc(C2CO2)cs1 Amb25933486 [0,0,0,1,0,0|2,0,1]=4 2044 B10R2.14 Clc1cc([C@@H]2CO2)cs1 Amb25889693 [0,0,0,1,0,0|2,0,1]=4 2045 B10R2.14 Clc1cc([C@H]2CO2)cs1 Amb24665411 [0,0,0,1,0,0|2,0,1]=4 2046 B8R1.23 CC(=O)C1=CC(C)C1 Amb27802162 [0,0,0,0,1,0|1,0,2]=4 2047 B8R1.23 CC(=O)C1C=C(C)C1 Amb24676939 [0,0,0,0,1,0|1,0,2]=4 2048 B8R1.31 CC(=O)C1=C(C)CC1 Amb28316170 [0,0,0,0,1,0|2,0,1]=4 2049 B8R1.31 O=C(O)C1=C(Br)CC1 Amb28454412 [0,0,0,0,1,0|2,0,1]=4 2050 B8R1.31 O=C(O)C1=C(Cl)CC1 Amb33609521 [0,0,0,0,1,0|2,0,1]=4 2051 B10R1.13 C=C(C)c1ccc(C)cn1 Amb24084447 [0,0,0,0,0,1|3,0,0]=4 2052 B10R1.13 C=C(C)c1ccc(C)nc1 Amb25889903 [0,0,0,0,0,1|3,0,0]=4 2053 B10R1.13 C=C1C=CC(C(=O)O)C=C1 Amb28340914 [0,0,0,0,0,1|1,0,2]=4 2054 B10R1.13 C=C1C=CC(C(C)=O)=CC1 Amb24758694 [0,0,0,0,0,1|2,0,1]=4 2055 B10R1.13 CC(=O)C1=CC=C(C)CC1 Amb33803393 [0,0,0,0,0,1|2,0,1]=4 2056 B10R1.13 CC(=O)C1=CNC(=N)C=N1 Amb26398886 [0,0,0,0,0,1|3,0,0]=4 2057 B10R1.13 CC(=O)C1=CNC(=O)C=C1 Amb22744839 [0,0,0,0,0,1|3,0,0]=4 2058 B10R1.13 CC(=O)C1=CNC(=O)SC1 Amb27424829 [0,0,0,0,0,1|2,0,1]=4 2059 B10R1.13 CC(=O)C1=CNC(C)SC1 Amb26867930 [0,0,0,0,0,1|1,0,2]=4 2060 B10R1.13 CC(=O)C1=COC(=O)C=C1 Amb27660313 [0,0,0,0,0,1|2,1,0]=4 2061 B10R1.13 CC(=O)c1cc[n+](C)cc1 Amb32455995 [0,0,0,0,0,1|3,0,0]=4 2062 B10R1.13 CC(=O)c1ccc(Br)cc1 Amb1221363 [0,0,0,0,0,1|3,0,0]=4 2063 B10R1.13 CC(=O)c1ccc(Br)cn1 Amb10601919 [0,0,0,0,0,1|3,0,0]=4 2064 B10R1.13 CC(=O)c1ccc(Br)cn1 Amb28555577 [0,0,0,0,0,1|3,0,0]=4 2065 B10R1.13 CC(=O)c1ccc(Br)nc1 Amb6572463 [0,0,0,0,0,1|3,0,0]=4 2066 B10R1.13 CC(=O)c1ccc(C)cc1 Amb2447132 [0,0,0,0,0,1|2,0,0]=3 2067 B10R1.13 CC(=O)c1ccc(C)cn1 Amb10608263 [0,0,0,0,0,1|2,0,0]=3 2068 B10R1.13 CC(=O)c1ccc(C)cn1 Amb22587200 [0,0,0,0,0,1|2,0,0]=3 2069 B10R1.13 CC(=O)c1ccc(C)nc1 Amb2691950 [0,0,0,0,0,1|2,0,0]=3 2070 B10R1.13 CC(=O)c1ccc(C)nn1 Amb25060161 [0,0,0,0,0,1|3,0,0]=4 2071 B10R1.13 CC(=O)c1ccc(Cl)cc1 Amb2685747 [0,0,0,0,0,1|3,0,0]=4 2072 B10R1.13 CC(=O)c1ccc(Cl)cn1 Amb16191910 [0,0,0,0,0,1|3,0,0]=4 2073 B10R1.13 CC(=O)c1ccc(Cl)nc1 Amb2724757 [0,0,0,0,0,1|3,0,0]=4 2074 B10R1.13 CC(=O)c1ccc(F)cc1 Amb2688007 [0,0,0,0,0,1|3,0,0]=4 2075 B10R1.13 CC(=O)c1ccc(F)cn1 Amb21864749 [0,0,0,0,0,1|3,0,0]=4 2076 B10R1.13 CC(=O)c1ccc(F)cn1 Amb33527023 [0,0,0,0,0,1|3,0,0]=4 2077 B10R1.13 CC(=O)c1ccc(F)nc1 Amb10603339 [0,0,0,0,0,1|3,0,0]=4 2078 B10R1.13 CC(=O)c1ccc(I)cc1 Amb1233200 [0,0,0,0,0,1|3,0,0]=4 2079 B10R1.13 CC(=O)c1ccc(N)cc1 Amb22734863 [0,0,0,0,0,1|3,0,0]=4 2080 B10R1.13 CC(=O)c1ccc(N)cc1 Amb534112 [0,0,0,0,0,1|3,0,0]=4 2081 B10R1.13 CC(=O)c1ccc(N)cn1 Amb20247966 [0,0,0,0,0,1|3,0,0]=4 2082 B10R1.13 CC(=O)c1ccc(N)nc1 Amb10608783 [0,0,0,0,0,1|3,0,0]=4 2083 B10R1.13 CC(=O)c1ccc(O)cc1 Amb1212250 [0,0,0,0,0,1|3,0,0]=4 2084 B10R1.13 CC(=O)c1ccc(O)cn1 Amb16231971 [0,0,0,0,0,1|3,0,0]=4 2085 B10R1.13 CC(=O)c1ccc(S)cc1 Amb17593795 [0,0,0,0,0,1|3,0,0]=4 2086 B10R1.13 CC(=O)c1ccc(S)nc1 Amb24505216 [0,0,0,0,0,1|3,0,0]=4 2087 B10R1.13 CC(=O)c1cnc(Br)cn1 Amb24321495 [0,0,0,0,0,1|3,0,0]=4 2088 B10R1.13 CC(=O)c1cnc(Br)nc1 Amb25063412 [0,0,0,0,0,1|3,0,0]=4 2089 B10R1.13 CC(=O)c1cnc(C)cn1 Amb22755693 [0,0,0,0,0,1|2,0,0]=3 2090 B10R1.13 CC(=O)c1cnc(C)nc1 Amb18832462 [0,0,0,0,0,1|2,0,0]=3 2091 B10R1.13 CC(=O)c1cnc(C)nn1 Amb18832374 [0,0,0,0,0,1|3,0,0]=4 2092 B10R1.13 CC(=O)c1cnc(Cl)cn1 Amb16232378 [0,0,0,0,0,1|3,0,0]=4 2093 B10R1.13 CC(=O)c1cnc(Cl)nc1 Amb22277123 [0,0,0,0,0,1|3,0,0]=4 2094 B10R1.13 CC(=O)c1cnc(N)nc1 Amb22494266 [0,0,0,0,0,1|3,0,0]=4 2095 B10R1.13 CC(=O)c1cnc(O)cn1 Amb22276069 [0,0,0,0,0,1|3,0,0]=4 2096 B10R1.13 CC(=O)c1ncc(C)cn1 Amb22735972 [0,0,0,0,0,1|3,0,0]=4 2097 B10R1.13 CC(=S)c1ccc(C)cc1 Amb10602373 [0,0,0,0,0,1|2,1,0]=4 2098 B10R1.13 CC(O)=C1C=CC(=O)C=C1 Amb24480664 [0,0,0,0,0,1|3,0,0]=4 2099 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [0,0,0,0,0,1|1,0,2]=4 2100 B10R1.13 CC1=CCC(C(=O)O)CN1 Amb2613014 [0,0,0,0,0,1|1,0,2]=4 2101 B10R1.13 CC1=NN=C(C(=O)O)CN1 Amb28061468 [0,0,0,0,0,1|2,0,1]=4 2102 B10R1.13 CC1CC=C(C(=O)O)CC1 Amb18124589 [0,0,0,0,0,1|1,0,2]=4 2103 B10R1.13 CC1CC=C(C(=O)O)CN1 Amb18831771 [0,0,0,0,0,1|1,0,2]=4 2104 B10R1.13 CC1CC=C(C(=O)O)OC1 Amb28050118 [0,0,0,0,0,1|1,0,2]=4 2105 B10R1.13 CC1CCC(C(=O)O)=CS1 Amb27455508 [0,0,0,0,0,1|0,0,2]=3 2106 B10R1.13 CN1C=CC(C(N)=O)=CC1 Amb27795981 [0,0,0,0,0,1|3,0,0]=4 2107 B10R1.13 CN1CC=C(C(=O)O)CC1 Amb17593569 [0,0,0,0,0,1|2,0,1]=4 2108 B10R1.13 C[n+]1ccc(C(N)=O)cc1 Amb2609609 [0,0,0,0,0,1|3,0,0]=4 2109 B10R1.13 Cc1ccc(B(O)O)cc1 Amb2447083 [0,0,0,0,0,1|2,0,1]=4 2110 B10R1.13 Cc1ccc(B(O)O)cn1 Amb13890356 [0,0,0,0,0,1|2,0,1]=4 2111 B10R1.13 Cc1ccc(B(O)O)cn1 Amb8396839 [0,0,0,0,0,1|2,0,1]=4 2112 B10R1.13 Cc1ccc(B(O)O)nc1 Amb8009486 [0,0,0,0,0,1|2,0,1]=4 2113 B10R1.13 Cc1ccc(B(O)S)cn1 Amb26071587 [0,0,0,0,0,1|2,1,0]=4 2114 B10R1.13 Cc1ccc(B([O-])O)nc1 Amb22169269 [0,0,0,0,0,1|2,0,1]=4 2115 B10R1.13 Cc1ccc(C(=N)N)cc1 Amb2696306 [0,0,0,0,0,1|3,0,0]=4 2116 B10R1.13 Cc1ccc(C(=N)N)cc1 Amb2726087 [0,0,0,0,0,1|3,0,0]=4 2117 B10R1.13 Cc1ccc(C(=N)N)cn1 Amb19958286 [0,0,0,0,0,1|3,0,0]=4 2118 B10R1.13 Cc1ccc(C(=N)N)cn1 Amb8630642 [0,0,0,0,0,1|3,0,0]=4 2119 B10R1.13 Cc1ccc(C(=N)N)nc1 Amb25139175 [0,0,0,0,0,1|3,0,0]=4 2120 B10R1.13 Cc1ccc(C(=O)Cl)cc1 Amb3939031 [0,0,0,0,0,1|2,0,0]=3 2121 B10R1.13 Cc1ccc(C(=O)Cl)cn1 Amb6743370 [0,0,0,0,0,1|2,0,0]=3 2122 B10R1.13 Cc1ccc(C(=O)F)cc1 Amb27791617 [0,0,0,0,0,1|2,0,0]=3 2123 B10R1.13 Cc1ccc(C(=O)O)cc1 Amb2609016 [0,0,0,0,0,1|1,0,0]=2 2124 B10R1.13 Cc1ccc(C(=O)O)cn1 Amb2371808 [0,0,0,0,0,1|1,0,0]=2 2125 B10R1.13 Cc1ccc(C(=O)O)nc1 Amb22276156 [0,0,0,0,0,1|1,0,0]=2 2126 B10R1.13 Cc1ccc(C(=O)O)nc1 Amb33550856 [0,0,0,0,0,1|1,0,0]=2 2127 B10R1.13 Cc1ccc(C(=O)O)nc1 Amb8386316 [0,0,0,0,0,1|1,0,0]=2 2128 B10R1.13 Cc1ccc(C(=O)O)nn1 Amb33543863 [0,0,0,0,0,1|2,0,0]=3 2129 B10R1.13 Cc1ccc(C(C)O)cc1 Amb4035861 [0,0,0,0,0,1|2,0,1]=4 2130 B10R1.13 Cc1ccc(C(C)O)cn1 Amb2694197 [0,0,0,0,0,1|2,0,1]=4 2131 B10R1.13 Cc1ccc(C(C)O)nc1 Amb25986570 [0,0,0,0,0,1|2,0,1]=4 2132 B10R1.13 Cc1ccc(C(N)=O)cc1 Amb6335792 [0,0,0,0,0,1|2,0,0]=3 2133 B10R1.13 Cc1ccc(C(N)=O)cn1 Amb2719765 [0,0,0,0,0,1|2,0,0]=3 2134 B10R1.13 Cc1ccc(C(N)=O)nc1 Amb25288938 [0,0,0,0,0,1|2,0,0]=3 2135 B10R1.13 Cc1ccc(C(N)=S)cc1 Amb6336552 [0,0,0,0,0,1|2,1,0]=4 2136 B10R1.13 Cc1ccc(C(N)=S)cn1 Amb2772718 [0,0,0,0,0,1|2,1,0]=4 2137 B10R1.13 Cc1ccc(C(N)=S)nc1 Amb16231245 [0,0,0,0,0,1|2,1,0]=4 2138 B10R1.13 Cc1ccc(N(=O)=O)cn1 Amb20621690 [0,0,0,0,0,1|2,0,1]=4 2139 B10R1.13 Cc1ccc(N(=O)=O)nc1 Amb20621853 [0,0,0,0,0,1|2,0,1]=4 2140 B10R1.13 Cc1ccc(S(=O)Cl)cc1 Amb17939004 [0,0,0,0,0,1|3,0,0]=4 2141 B10R1.13 Cc1ccc(S(=O)O)cc1 Amb22436806 [0,0,0,0,0,1|2,0,0]=3 2142 B10R1.13 Cc1ccc(S(=O)O)cc1 Amb6843901 [0,0,0,0,0,1|2,0,0]=3 2143 B10R1.13 Cc1ccc(S(=O)O)nc1 Amb32992443 [0,0,0,0,0,1|2,0,0]=3 2144 B10R1.13 Cc1ccc(S(=O)[O-])cc1 Amb16185755 [0,0,0,0,0,1|2,0,1]=4 2145 B10R1.13 Cc1ccc(S(=O)[O-])cc1 Amb22411411 [0,0,0,0,0,1|2,0,1]=4 2146 B10R1.13 Cc1ccc(S(=O)[O-])cc1 Amb32663941 [0,0,0,0,0,1|2,0,1]=4 2147 B10R1.13 Cc1ccc(S(=O)[O-])cn1 Amb32754797 [0,0,0,0,0,1|2,0,1]=4 2148 B10R1.13 Cc1ccc(S(=O)[O-])nc1 Amb32992523 [0,0,0,0,0,1|2,0,1]=4 2149 B10R1.13 Cc1ccc([C@@H](C)O)cc1 Amb25859279 [0,0,0,0,0,1|2,0,1]=4 2150 B10R1.13 Cc1ccc([C@@H](C)O)cn1 Amb33344529 [0,0,0,0,0,1|2,0,1]=4 2151 B10R1.13 Cc1ccc([C@@H](C)O)nc1 Amb24549031 [0,0,0,0,0,1|2,0,1]=4 2152 B10R1.13 Cc1ccc([C@H](C)O)cc1 Amb20241494 [0,0,0,0,0,1|2,0,1]=4 2153 B10R1.13 Cc1ccc([C@H](C)O)cn1 Amb33344520 [0,0,0,0,0,1|2,0,1]=4 2154 B10R1.13 Cc1ccc([C@H](C)O)nc1 Amb27959952 [0,0,0,0,0,1|2,0,1]=4 2155 B10R1.13 Cc1ccc([N+](=O)[O-])cc1 Amb6608825 [0,0,0,0,0,1|2,0,1]=4 2156 B10R1.13 Cc1ccc([N+](=O)[O-])cn1 Amb6298202 [0,0,0,0,0,1|2,0,1]=4 2157 B10R1.13 Cc1ccc([N+](=O)[O-])nc1 Amb2609538 [0,0,0,0,0,1|2,0,1]=4 2158 B10R1.13 Cc1ccc([PH](=O)O)cc1 Amb3371950 [0,0,0,0,0,1|2,0,0]=3 2159 B10R1.13 Cc1ccc([S@@](C)=O)cc1 Amb2609029 [0,0,0,0,0,1|3,0,0]=4 2160 B10R1.13 Cc1ccc([S@@](N)=O)cc1 Amb16233804 [0,0,0,0,0,1|3,0,0]=4 2161 B10R1.13 Cc1ccc([S@](N)=O)cc1 Amb19889838 [0,0,0,0,0,1|3,0,0]=4 2162 B10R1.13 Cc1cnc(C(=N)N)cn1 Amb10067004 [0,0,0,0,0,1|3,0,0]=4 2163 B10R1.13 Cc1cnc(C(=N)N)cn1 Amb2689673 [0,0,0,0,0,1|3,0,0]=4 2164 B10R1.13 Cc1cnc(C(=O)O)cn1 Amb2689674 [0,0,0,0,0,1|1,0,0]=2 2165 B10R1.13 Cc1cnc(C(=O)O)nc1 Amb10602959 [0,0,0,0,0,1|2,0,0]=3 2166 B10R1.13 Cc1cnc(C(=O)O)nn1 Amb18832134 [0,0,0,0,0,1|2,0,0]=3 2167 B10R1.13 Cc1cnc(C(N)=O)cn1 Amb2689672 [0,0,0,0,0,1|2,0,0]=3 2168 B10R1.13 Cc1cnc(C(N)=O)nc1 Amb25724440 [0,0,0,0,0,1|3,0,0]=4 2169 B10R1.13 Cc1cnc(C(N)=S)cn1 Amb24480848 [0,0,0,0,0,1|2,1,0]=4 2170 B10R1.13 Cc1cnc([C@@H](C)O)cn1 Amb33375607 [0,0,0,0,0,1|2,0,1]=4 2171 B10R1.13 Cc1cnc([C@H](C)O)cn1 Amb33375606 [0,0,0,0,0,1|2,0,1]=4 2172 B10R1.13 Cc1ncc(B(O)O)cn1 Amb8011235 [0,0,0,0,0,1|2,0,1]=4 2173 B10R1.13 Cc1ncc(C(=O)Cl)cn1 Amb24743634 [0,0,0,0,0,1|2,0,0]=3 2174 B10R1.13 Cc1ncc(C(=O)O)cn1 Amb22492357 [0,0,0,0,0,1|1,0,0]=2 2175 B10R1.13 Cc1ncc(C(=O)O)cn1 Amb8397257 [0,0,0,0,0,1|1,0,0]=2 2176 B10R1.13 Cc1ncc(C(=O)O)nn1 Amb18202982 [0,0,0,0,0,1|2,0,0]=3 2177 B10R1.13 Cc1ncc(C(C)O)cn1 Amb20670586 [0,0,0,0,0,1|2,0,1]=4 2178 B10R1.13 Cc1ncc(C(N)=O)nn1 Amb27631322 [0,0,0,0,0,1|3,0,0]=4 2179 B10R1.13 Cc1ncc([N+](=O)[O-])cn1 Amb10602112 [0,0,0,0,0,1|2,0,1]=4 2180 B10R1.13 NC(=O)C1=CNC(=O)C=C1 Amb19419628 [0,0,0,0,0,1|3,0,0]=4 2181 B10R1.13 NC(=O)C1=CNC(=O)N=C1 Amb25340751 [0,0,0,0,0,1|3,0,0]=4 2182 B10R1.13 NC(=O)C1=CNC(=O)SC1 Amb27267855 [0,0,0,0,0,1|2,0,1]=4 2183 B10R1.13 NC(=O)C1=COC(=O)C=C1 Amb25147558 [0,0,0,0,0,1|2,1,0]=4 2184 B10R1.13 NC(=O)c1ccc(Br)cc1 Amb1232839 [0,0,0,0,0,1|3,0,0]=4 2185 B10R1.13 NC(=O)c1ccc(Br)cn1 Amb2795794 [0,0,0,0,0,1|3,0,0]=4 2186 B10R1.13 NC(=O)c1ccc(Br)nc1 Amb10070703 [0,0,0,0,0,1|3,0,0]=4 2187 B10R1.13 NC(=O)c1ccc(Cl)cc1 Amb2778205 [0,0,0,0,0,1|3,0,0]=4 2188 B10R1.13 NC(=O)c1ccc(Cl)cn1 Amb22500440 [0,0,0,0,0,1|3,0,0]=4 2189 B10R1.13 NC(=O)c1ccc(Cl)nc1 Amb6370850 [0,0,0,0,0,1|3,0,0]=4 2190 B10R1.13 NC(=O)c1ccc(F)cc1 Amb1230540 [0,0,0,0,0,1|3,0,0]=4 2191 B10R1.13 NC(=O)c1ccc(F)cn1 Amb22001839 [0,0,0,0,0,1|3,0,0]=4 2192 B10R1.13 NC(=O)c1ccc(F)nc1 Amb33545196 [0,0,0,0,0,1|3,0,0]=4 2193 B10R1.13 NC(=O)c1ccc(I)cc1 Amb2227687 [0,0,0,0,0,1|3,0,0]=4 2194 B10R1.13 NC(=O)c1ccc(I)cn1 Amb24482132 [0,0,0,0,0,1|3,0,0]=4 2195 B10R1.13 NC(=O)c1ccc(I)nc1 Amb28436361 [0,0,0,0,0,1|3,0,0]=4 2196 B10R1.13 NC(=O)c1ccc(N)cc1 Amb6364742 [0,0,0,0,0,1|3,0,0]=4 2197 B10R1.13 NC(=O)c1ccc(N)cn1 Amb8397288 [0,0,0,0,0,1|3,0,0]=4 2198 B10R1.13 NC(=O)c1ccc(N)nc1 Amb3997308 [0,0,0,0,0,1|3,0,0]=4 2199 B10R1.13 NC(=O)c1ccc(O)cc1 Amb1240570 [0,0,0,0,0,1|3,0,0]=4 2200 B10R1.13 NC(=O)c1ccc(O)cc1 Amb13951374 [0,0,0,0,0,1|3,0,0]=4 2201 B10R1.13 NC(=O)c1ccc(O)cn1 Amb27175316 [0,0,0,0,0,1|3,0,0]=4 2202 B10R1.13 NC(=O)c1ccc(O)nc1 Amb2371669 [0,0,0,0,0,1|3,0,0]=4 2203 B10R1.13 NC(=O)c1ccc(S)cc1 Amb27471980 [0,0,0,0,0,1|3,0,0]=4 2204 B10R1.13 NC(=O)c1ccc(S)nc1 Amb24081719 [0,0,0,0,0,1|3,0,0]=4 2205 B10R1.13 NC(=O)c1cnc(Br)cn1 Amb22755345 [0,0,0,0,0,1|3,0,0]=4 2206 B10R1.13 NC(=O)c1cnc(Br)nc1 Amb28315695 [0,0,0,0,0,1|3,0,0]=4 2207 B10R1.13 NC(=O)c1cnc(Cl)cn1 Amb6893046 [0,0,0,0,0,1|3,0,0]=4 2208 B10R1.13 NC(=O)c1cnc(Cl)nc1 Amb22490639 [0,0,0,0,0,1|3,0,0]=4 2209 B10R1.13 NC(=O)c1cnc(N)cn1 Amb18643220 [0,0,0,0,0,1|3,0,0]=4 2210 B10R1.13 NC(=O)c1cnc(N)nc1 Amb24063070 [0,0,0,0,0,1|3,0,0]=4 2211 B10R1.13 NC(=O)c1cnc(O)cn1 Amb24652042 [0,0,0,0,0,1|3,0,0]=4 2212 B10R1.13 NC1=NN=C(C(=O)O)CS1 Amb1981824 [0,0,0,0,0,1|2,0,1]=4 2213 B10R1.13 N\C(O)=C1\C=CC(=O)C=N1 Amb28422519 [0,0,0,0,0,1|3,0,0]=4 2214 B10R1.13 Nc1ccc(C(=O)Br)cc1 Amb28186157 [0,0,0,0,0,1|3,0,0]=4 2215 B10R1.13 Nc1ccc(C(=O)Cl)cc1 Amb2609001 [0,0,0,0,0,1|3,0,0]=4 2216 B10R1.13 Nc1ccc(C(=O)O)cc1 Amb24066899 [0,0,0,0,0,1|2,0,0]=3 2217 B10R1.13 Nc1ccc(C(=O)O)cc1 Amb6238177 [0,0,0,0,0,1|2,0,0]=3 2218 B10R1.13 Nc1ccc(C(=O)O)cn1 Amb1215277 [0,0,0,0,0,1|2,0,0]=3 2219 B10R1.13 Nc1ccc(C(=O)O)cn1 Amb2697552 [0,0,0,0,0,1|2,0,0]=3 2220 B10R1.13 Nc1ccc(C(=O)O)nc1 Amb2612660 [0,0,0,0,0,1|2,0,0]=3 2221 B10R1.13 Nc1ccc(C(=O)O)nc1 Amb2697551 [0,0,0,0,0,1|2,0,0]=3 2222 B10R1.13 Nc1ccc(C(=O)O)nn1 Amb2699138 [0,0,0,0,0,1|3,0,0]=4 2223 B10R1.13 Nc1ccc(C(=O)[O-])cc1 Amb6296721 [0,0,0,0,0,1|2,0,1]=4 2224 B10R1.13 Nc1ccc(C(=O)[O-])cc1 Amb6366456 [0,0,0,0,0,1|2,0,1]=4 2225 B10R1.13 Nc1ccc(S(=O)O)cc1 Amb6374224 [0,0,0,0,0,1|3,0,0]=4 2226 B10R1.13 Nc1cnc(C(=O)O)cn1 Amb13883736 [0,0,0,0,0,1|2,0,0]=3 2227 B10R1.13 Nc1cnc(C(=O)O)nc1 Amb2699140 [0,0,0,0,0,1|3,0,0]=4 2228 B10R1.13 Nc1ncc(C(=O)O)cn1 Amb841140 [0,0,0,0,0,1|2,0,0]=3 2229 B10R1.13 Nc1ncc(C(=O)O)nn1 Amb27953098 [0,0,0,0,0,1|3,0,0]=4 2230 B10R1.13 O=C(Cl)c1ccc(Br)cc1 Amb2684956 [0,0,0,0,0,1|3,0,0]=4 2231 B10R1.13 O=C(Cl)c1ccc(Br)cn1 Amb10068998 [0,0,0,0,0,1|3,0,0]=4 2232 B10R1.13 O=C(Cl)c1ccc(Br)nc1 Amb20620534 [0,0,0,0,0,1|3,0,0]=4 2233 B10R1.13 O=C(Cl)c1ccc(Cl)cc1 Amb3939199 [0,0,0,0,0,1|3,0,0]=4 2234 B10R1.13 O=C(Cl)c1ccc(Cl)cn1 Amb22002486 [0,0,0,0,0,1|3,0,0]=4 2235 B10R1.13 O=C(Cl)c1ccc(Cl)nc1 Amb22728126 [0,0,0,0,0,1|3,0,0]=4 2236 B10R1.13 O=C(Cl)c1ccc(Cl)nc1 Amb2725223 [0,0,0,0,0,1|3,0,0]=4 2237 B10R1.13 O=C(Cl)c1ccc(F)cc1 Amb2688034 [0,0,0,0,0,1|3,0,0]=4 2238 B10R1.13 O=C(Cl)c1ccc(F)cn1 Amb22388450 [0,0,0,0,0,1|3,0,0]=4 2239 B10R1.13 O=C(Cl)c1ccc(F)cn1 Amb32655805 [0,0,0,0,0,1|3,0,0]=4 2240 B10R1.13 O=C(Cl)c1ccc(F)nc1 Amb2447511 [0,0,0,0,0,1|3,0,0]=4 2241 B10R1.13 O=C(Cl)c1ccc(I)cc1 Amb3939136 [0,0,0,0,0,1|3,0,0]=4 2242 B10R1.13 O=C(Cl)c1ccc(I)cn1 Amb27843685 [0,0,0,0,0,1|3,0,0]=4 2243 B10R1.13 O=C(Cl)c1ccc(O)cc1 Amb6743399 [0,0,0,0,0,1|3,0,0]=4 2244 B10R1.13 O=C(Cl)c1ccc(O)cn1 Amb27860850 [0,0,0,0,0,1|3,0,0]=4 2245 B10R1.13 O=C(Cl)c1cnc(Cl)cn1 Amb21618922 [0,0,0,0,0,1|3,0,0]=4 2246 B10R1.13 O=C(Cl)c1cnc(Cl)nc1 Amb24055390 [0,0,0,0,0,1|3,0,0]=4 2247 B10R1.13 O=C(Cl)c1cnc(O)cn1 Amb22499483 [0,0,0,0,0,1|3,0,0]=4 2248 B10R1.13 O=C(F)c1ccc(Br)cc1 Amb27403647 [0,0,0,0,0,1|3,0,0]=4 2249 B10R1.13 O=C(F)c1ccc(Cl)cc1 Amb27798433 [0,0,0,0,0,1|3,0,0]=4 2250 B10R1.13 O=C(F)c1ccc(F)cc1 Amb27871316 [0,0,0,0,0,1|3,0,0]=4 2251 B10R1.13 O=C(F)c1ccc(F)cn1 Amb27200699 [0,0,0,0,0,1|3,0,0]=4 2252 B10R1.13 O=C(O)C1=CNC(=S)C=C1 Amb18947773 [0,0,0,0,0,1|2,0,0]=3 2253 B10R1.13 O=C(O)C1=CNC(O)C=C1 Amb27783769 [0,0,0,0,0,1|2,0,1]=4 2254 B10R1.13 O=C(O)c1cc[n+]([O-])cc1 Amb751855 [0,0,0,0,0,1|3,0,0]=4 2255 B10R1.13 O=C(O)c1ccc(Br)cc1 Amb1935068 [0,0,0,0,0,1|2,0,0]=3 2256 B10R1.13 O=C(O)c1ccc(Br)cn1 Amb2447466 [0,0,0,0,0,1|2,0,0]=3 2257 B10R1.13 O=C(O)c1ccc(Br)nc1 Amb2611408 [0,0,0,0,0,1|2,0,0]=3 2258 B10R1.13 O=C(O)c1ccc(Br)nn1 Amb5282888 [0,0,0,0,0,1|3,0,0]=4 2259 B10R1.13 O=C(O)c1ccc(Cl)cc1 Amb2792854 [0,0,0,0,0,1|2,0,0]=3 2260 B10R1.13 O=C(O)c1ccc(Cl)cn1 Amb6384305 [0,0,0,0,0,1|2,0,0]=3 2261 B10R1.13 O=C(O)c1ccc(Cl)nc1 Amb535150 [0,0,0,0,0,1|2,0,0]=3 2262 B10R1.13 O=C(O)c1ccc(Cl)nn1 Amb19889556 [0,0,0,0,0,1|3,0,0]=4 2263 B10R1.13 O=C(O)c1ccc(Cl)nn1 Amb2795205 [0,0,0,0,0,1|3,0,0]=4 2264 B10R1.13 O=C(O)c1ccc(F)cc1 Amb2688024 [0,0,0,0,0,1|2,0,0]=3 2265 B10R1.13 O=C(O)c1ccc(F)cn1 Amb33069076 [0,0,0,0,0,1|2,0,0]=3 2266 B10R1.13 O=C(O)c1ccc(F)cn1 Amb6306446 [0,0,0,0,0,1|2,0,0]=3 2267 B10R1.13 O=C(O)c1ccc(F)nc1 Amb2447507 [0,0,0,0,0,1|2,0,0]=3 2268 B10R1.13 O=C(O)c1ccc(I)cc1 Amb6446256 [0,0,0,0,0,1|2,0,0]=3 2269 B10R1.13 O=C(O)c1ccc(I)cn1 Amb33548875 [0,0,0,0,0,1|2,0,0]=3 2270 B10R1.13 O=C(O)c1ccc(O)cc1 Amb2569657 [0,0,0,0,0,1|2,0,0]=3 2271 B10R1.13 O=C(O)c1ccc(O)cn1 Amb2235994 [0,0,0,0,0,1|2,0,0]=3 2272 B10R1.13 O=C(O)c1ccc(O)cn1 Amb2697988 [0,0,0,0,0,1|2,0,0]=3 2273 B10R1.13 O=C(O)c1ccc(O)cn1 Amb30594273 [0,0,0,0,0,1|2,0,0]=3 2274 B10R1.13 O=C(O)c1ccc(O)nc1 Amb1085852 [0,0,0,0,0,1|2,0,0]=3 2275 B10R1.13 O=C(O)c1ccc(O)nn1 Amb17755179 [0,0,0,0,0,1|3,0,0]=4 2276 B10R1.13 O=C(O)c1ccc(O)nn1 Amb30634341 [0,0,0,0,0,1|3,0,0]=4 2277 B10R1.13 O=C(O)c1ccc(S)cc1 Amb2371749 [0,0,0,0,0,1|2,0,0]=3 2278 B10R1.13 O=C(O)c1ccc(S)cn1 Amb18644721 [0,0,0,0,0,1|2,0,0]=3 2279 B10R1.13 O=C(O)c1cnc(Br)cn1 Amb18176908 [0,0,0,0,0,1|2,0,0]=3 2280 B10R1.13 O=C(O)c1cnc(Br)nc1 Amb25775393 [0,0,0,0,0,1|2,0,0]=3 2281 B10R1.13 O=C(O)c1cnc(Cl)cn1 Amb8393938 [0,0,0,0,0,1|2,0,0]=3 2282 B10R1.13 O=C(O)c1cnc(Cl)nc1 Amb10067813 [0,0,0,0,0,1|2,0,0]=3 2283 B10R1.13 O=C(O)c1cnc(Cl)nn1 Amb28125637 [0,0,0,0,0,1|3,0,0]=4 2284 B10R1.13 O=C(O)c1cnc(F)cn1 Amb26021568 [0,0,0,0,0,1|2,0,0]=3 2285 B10R1.13 O=C(O)c1cnc(O)cn1 Amb6892308 [0,0,0,0,0,1|2,0,0]=3 2286 B10R1.13 O=C(O)c1cnc(O)nc1 Amb10067812 [0,0,0,0,0,1|2,0,0]=3 2287 B10R1.13 O=C(O)c1ncc(Br)cn1 Amb2591550 [0,0,0,0,0,1|3,0,0]=4 2288 B10R1.13 O=C(O)c1ncc(Cl)cn1 Amb2796324 [0,0,0,0,0,1|3,0,0]=4 2289 B10R1.13 O=C(O)c1ncc(F)cn1 Amb21858020 [0,0,0,0,0,1|3,0,0]=4 2290 B10R1.13 O=C(O)c1ncc(O)cn1 Amb18831952 [0,0,0,0,0,1|3,0,0]=4 2291 B10R1.13 O=C([O-])c1ccc(F)cc1 Amb8397065 [0,0,0,0,0,1|2,0,1]=4 2292 B10R1.13 O=C([O-])c1ccc(O)cc1 Amb8517584 [0,0,0,0,0,1|2,0,1]=4 2293 B10R1.13 O=C([O-])c1ccc([S-])nc1 Amb2611975 [0,0,0,0,0,1|2,0,1]=4 2294 B10R1.13 O=C([O-])c1cnc(O)cn1 Amb22284358 [0,0,0,0,0,1|2,0,1]=4 2295 B10R1.13 O=C1C=CC(C(=O)Cl)=CO1 Amb19895315 [0,0,0,0,0,1|2,1,0]=4 2296 B10R1.13 O=C1C=CC(C(=O)O)=CN1 Amb18028595 [0,0,0,0,0,1|2,0,0]=3 2297 B10R1.13 O=C1C=CC(C(=O)O)=CO1 Amb19723416 [0,0,0,0,0,1|1,1,0]=3 2298 B10R1.13 O=C1C=CC(C(=O)O)=CO1 Amb20661802 [0,0,0,0,0,1|1,1,0]=3 2299 B10R1.13 O=C1C=CC(C(=O)O)=NN1 Amb18013052 [0,0,0,0,0,1|3,0,0]=4 2300 B10R1.13 O=C1C=CC(C(=O)O)=NN1 Amb19894728 [0,0,0,0,0,1|3,0,0]=4 2301 B10R1.13 O=C1C=NC(C(=O)O)=CN1 Amb18278228 [0,0,0,0,0,1|2,0,0]=3 2302 B10R1.13 O=C1CN=C(C(=O)O)C=N1 Amb24093763 [0,0,0,0,0,1|2,0,1]=4 2303 B10R1.13 O=C1N=CC(C(=O)O)=CN1 Amb18643480 [0,0,0,0,0,1|2,0,0]=3 2304 B10R1.13 O=C1NC=C(C(=O)O)CN1 Amb27217299 [0,0,0,0,0,1|2,0,1]=4 2305 B10R1.13 O=S(O)c1ccc(Br)cc1 Amb18570792 [0,0,0,0,0,1|3,0,0]=4 2306 B10R1.13 O=S(O)c1ccc(Cl)cc1 Amb18564047 [0,0,0,0,0,1|3,0,0]=4 2307 B10R1.13 O=S(O)c1ccc(Cl)nc1 Amb26532127 [0,0,0,0,0,1|3,0,0]=4 2308 B10R1.13 O=S(O)c1ccc(F)cc1 Amb18065461 [0,0,0,0,0,1|3,0,0]=4 2309 B10R1.13 O=S(O)c1ccc(F)cn1 Amb32753677 [0,0,0,0,0,1|3,0,0]=4 2310 B10R1.13 O=S(O)c1ccc(O)cc1 Amb27768727 [0,0,0,0,0,1|3,0,0]=4 2311 B10R1.13 O=[PH](O)c1ccc(Cl)cc1 Amb348488 [0,0,0,0,0,1|3,0,0]=4 2312 B10R1.13 O=[Se](O)c1ccc(Cl)cc1 Amb9809799 [0,0,0,0,0,1|3,0,0]=4 2313 B10R1.54 C=C1C=C\C(=C\C(=O)O)O1 Amb27461481 [0,0,0,0,0,1|2,0,1]=4 2314 B10R1.54 CC(=O)Cc1cc(C)cs1 Amb25146717 [0,0,0,0,0,1|3,0,0]=4 2315 B10R1.54 CC(=O)Cc1cc(C)no1 Amb26651822 [0,0,0,0,0,1|3,0,0]=4 2316 B10R1.54 CC(=O)Cc1cc(C)on1 Amb27615044 [0,0,0,0,0,1|2,1,0]=4 2317 B10R1.54 CC(=O)Cc1ccc(C)o1 Amb17477800 [0,0,0,0,0,1|3,0,0]=4 2318 B10R1.54 CC(=O)Cc1ccc(C)s1 Amb25146673 [0,0,0,0,0,1|3,0,0]=4 2319 B10R1.54 CC(=O)Cc1ccn(C)c1 Amb18243431 [0,0,0,0,0,1|3,0,0]=4 2320 B10R1.54 CC(=O)Cc1cnc(C)o1 Amb28241211 [0,0,0,0,0,1|3,0,0]=4 2321 B10R1.54 CC(=O)Cc1cnc(C)s1 Amb18062038 [0,0,0,0,0,1|3,0,0]=4 2322 B10R1.54 CC(=O)Cc1cnn(C)c1 Amb22059066 [0,0,0,0,0,1|3,0,0]=4 2323 B10R1.54 CC(=O)Cc1cnn(C)c1 Amb33726923 [0,0,0,0,0,1|3,0,0]=4 2324 B10R1.54 CC(=O)Cc1coc(C)c1 Amb5494109 [0,0,0,0,0,1|1,1,0]=3 2325 B10R1.54 CC(=O)Cc1csc(Br)c1 Amb33432545 [0,0,0,0,0,1|2,0,0]=3 2326 B10R1.54 CC(=O)Cc1csc(Br)n1 Amb18766886 [0,0,0,0,0,1|3,0,0]=4 2327 B10R1.54 CC(=O)Cc1csc(Cl)c1 Amb26893366 [0,0,0,0,0,1|2,0,0]=3 2328 B10R1.54 CC(=O)Cc1csc(N)n1 Amb18830764 [0,0,0,0,0,1|3,0,0]=4 2329 B10R1.54 CC(=O)Cc1nsc(C)n1 Amb18830748 [0,0,0,0,0,1|3,0,0]=4 2330 B10R1.54 CC(=O)Nc1cc(C)on1 Amb6355999 [0,0,0,0,0,1|2,1,0]=4 2331 B10R1.54 CC(=O)Nc1ccc(C)s1 Amb23447076 [0,0,0,0,0,1|3,0,0]=4 2332 B10R1.54 CC(=O)Nc1cnc(C)s1 Amb22751060 [0,0,0,0,0,1|3,0,0]=4 2333 B10R1.54 CC(=O)Nc1cnn(C)c1 Amb26032998 [0,0,0,0,0,1|3,0,0]=4 2334 B10R1.54 CC(=O)Nc1csc(Br)n1 Amb25127547 [0,0,0,0,0,1|3,0,0]=4 2335 B10R1.54 CC(=O)Nc1csc(C)n1 Amb22751061 [0,0,0,0,0,1|2,0,0]=3 2336 B10R1.54 CC(=O)Nc1csc(Cl)c1 Amb27589440 [0,0,0,0,0,1|2,0,0]=3 2337 B10R1.54 CC(=O)OC1=CSC(=O)N1 Amb27794456 [0,0,0,0,0,1|3,0,0]=4 2338 B10R1.54 CC(=O)Oc1csc(N)n1 Amb27768730 [0,0,0,0,0,1|3,0,0]=4 2339 B10R1.54 CC(=O)Sc1cc(C)on1 Amb27612930 [0,0,0,0,0,1|2,1,0]=4 2340 B10R1.54 CC(=O)Sc1coc(C)c1 Amb27438557 [0,0,0,0,0,1|1,1,0]=3 2341 B10R1.54 CC(=O)\C=C1/C=C(C)SS1 Amb27432661 [0,0,0,0,0,1|2,0,0]=3 2342 B10R1.54 CC(=O)\C=C1\C=C(C)SS1 Amb27615129 [0,0,0,0,0,1|2,0,0]=3 2343 B10R1.54 CC(=S)Nc1csc(C)n1 Amb27670153 [0,0,0,0,0,1|2,1,0]=4 2344 B10R1.54 CC(O)Cc1csc(Br)c1 Amb33432889 [0,0,0,0,0,1|2,0,1]=4 2345 B10R1.54 CC1=CCC(CC(=O)O)=C1 Amb28314099 [0,0,0,0,0,1|1,0,1]=3 2346 B10R1.54 CN(O)Cc1csc(Br)c1 Amb33432779 [0,0,0,0,0,1|3,0,0]=4 2347 B10R1.54 C[C@@H](O)Cc1csc(Br)c1 Amb33433203 [0,0,0,0,0,1|2,0,1]=4 2348 B10R1.54 C[C@H](O)Cc1csc(Br)c1 Amb33433201 [0,0,0,0,0,1|2,0,1]=4 2349 B10R1.54 Cc1cc(C=C(Br)Br)cs1 Amb27788218 [0,0,0,0,0,1|2,0,0]=3 2350 B10R1.54 Cc1cc(CC(=O)O)co1 Amb32713187 [0,0,0,0,0,1|0,1,0]=2 2351 B10R1.54 Cc1cc(CC(=O)O)cs1 Amb26844423 [0,0,0,0,0,1|0,0,0]=1 2352 B10R1.54 Cc1cc(CC(=O)O)no1 Amb17064157 [0,0,0,0,0,1|1,1,0]=3 2353 B10R1.54 Cc1cc(CC(=O)O)ns1 Amb18830635 [0,0,0,0,0,1|1,0,0]=2 2354 B10R1.54 Cc1cc(CC(=O)O)on1 Amb9826061 [0,0,0,0,0,1|2,0,0]=3 2355 B10R1.54 Cc1cc(CC(=O)O)sn1 Amb18138253 [0,0,0,0,0,1|2,0,0]=3 2356 B10R1.54 Cc1cc(CC(C)O)cs1 Amb27617244 [0,0,0,0,0,1|1,0,1]=3 2357 B10R1.54 Cc1cc(CS(=O)O)no1 Amb28286222 [0,0,0,0,0,1|2,1,0]=4 2358 B10R1.54 Cc1cc(NC(N)=O)no1 Amb1128410 [0,0,0,0,0,1|2,1,0]=4 2359 B10R1.54 Cc1cc(NC(N)=O)on1 Amb6246078 [0,0,0,0,0,1|3,0,0]=4 2360 B10R1.54 Cc1cc(OC(=O)Cl)no1 Amb33297024 [0,0,0,0,0,1|2,1,0]=4 2361 B10R1.54 Cc1ccc(CC(=O)Cl)o1 Amb27186019 [0,0,0,0,0,1|3,0,0]=4 2362 B10R1.54 Cc1ccc(CC(=O)O)o1 Amb18960367 [0,0,0,0,0,1|2,0,0]=3 2363 B10R1.54 Cc1ccc(CC(=O)O)s1 Amb2234463 [0,0,0,0,0,1|2,0,0]=3 2364 B10R1.54 Cc1ccc(CC(N)=O)o1 Amb28457670 [0,0,0,0,0,1|3,0,0]=4 2365 B10R1.54 Cc1ccc(CC(N)=O)s1 Amb26000481 [0,0,0,0,0,1|3,0,0]=4 2366 B10R1.54 Cc1ccc(NC(N)=O)s1 Amb28049726 [0,0,0,0,0,1|3,0,0]=4 2367 B10R1.54 Cc1ccn(CC(=O)O)c1 Amb26391995 [0,0,0,0,0,1|2,0,0]=3 2368 B10R1.54 Cc1ccn(CC(=O)O)n1 Amb1935095 [0,0,0,0,0,1|3,0,0]=4 2369 B10R1.54 Cc1ccn(CC(=O)O)n1 Amb32661699 [0,0,0,0,0,1|3,0,0]=4 2370 B10R1.54 Cc1cn(CC(=O)O)cn1 Amb18254871 [0,0,0,0,0,1|2,0,0]=3 2371 B10R1.54 Cc1cn(CC(=O)O)nn1 Amb2783830 [0,0,0,0,0,1|3,0,0]=4 2372 B10R1.54 Cc1cnc(CC(=O)O)o1 Amb18831795 [0,0,0,0,0,1|3,0,0]=4 2373 B10R1.54 Cc1cnc(CC(=O)O)s1 Amb18286622 [0,0,0,0,0,1|3,0,0]=4 2374 B10R1.54 Cc1cnn(CC(=O)O)c1 Amb1945752 [0,0,0,0,0,1|3,0,0]=4 2375 B10R1.54 Cc1cnn(CC(=O)O)c1 Amb22587129 [0,0,0,0,0,1|3,0,0]=4 2376 B10R1.54 Cc1coc(CC(=O)O)c1 Amb18831942 [0,0,0,0,0,1|2,0,0]=3 2377 B10R1.54 Cc1coc(CC(=O)O)n1 Amb18831793 [0,0,0,0,0,1|3,0,0]=4 2378 B10R1.54 Cc1coc(CC(=O)[O-])c1 Amb33299276 [0,0,0,0,0,1|2,0,1]=4 2379 B10R1.54 Cc1csc(CC(=O)O)c1 Amb8010099 [0,0,0,0,0,1|2,0,0]=3 2380 B10R1.54 Cc1csc(CC(=O)O)n1 Amb3978737 [0,0,0,0,0,1|3,0,0]=4 2381 B10R1.54 Cc1nc(C=C(Br)Br)cs1 Amb28135825 [0,0,0,0,0,1|3,0,0]=4 2382 B10R1.54 Cc1nc(CC(=N)N)cs1 Amb18791667 [0,0,0,0,0,1|3,0,0]=4 2383 B10R1.54 Cc1nc(CC(=O)O)co1 Amb6316134 [0,0,0,0,0,1|1,1,0]=3 2384 B10R1.54 Cc1nc(CC(=O)O)cs1 Amb1105673 [0,0,0,0,0,1|1,0,0]=2 2385 B10R1.54 Cc1nc(CC(=O)O)no1 Amb8010151 [0,0,0,0,0,1|2,1,0]=4 2386 B10R1.54 Cc1nc(CC(=O)O)ns1 Amb18830499 [0,0,0,0,0,1|2,0,0]=3 2387 B10R1.54 Cc1nc(CC(=O)[O-])cs1 Amb449713 [0,0,0,0,0,1|1,0,1]=3 2388 B10R1.54 Cc1nc(CC(C)O)cs1 Amb18791838 [0,0,0,0,0,1|2,0,1]=4 2389 B10R1.54 Cc1nc(CC(N)=O)cs1 Amb2793721 [0,0,0,0,0,1|2,0,0]=3 2390 B10R1.54 Cc1nc(CC(N)=S)cs1 Amb6892884 [0,0,0,0,0,1|2,1,0]=4 2391 B10R1.54 Cc1nc(CN(C)O)cs1 Amb33416135 [0,0,0,0,0,1|3,0,0]=4 2392 B10R1.54 Cc1nc(CS(=O)[O-])cs1 Amb32754718 [0,0,0,0,0,1|2,0,1]=4 2393 B10R1.54 Cc1nc(C[C@@H](C)O)cs1 Amb33415367 [0,0,0,0,0,1|2,0,1]=4 2394 B10R1.54 Cc1nc(C[C@H](C)O)cs1 Amb33415369 [0,0,0,0,0,1|2,0,1]=4 2395 B10R1.54 Cc1nc(C[N+](=O)[O-])cs1 Amb33414935 [0,0,0,0,0,1|2,0,1]=4 2396 B10R1.54 Cc1nc(NC(N)=S)cs1 Amb27851630 [0,0,0,0,0,1|2,1,0]=4 2397 B10R1.54 Cc1ncc(CC(=O)O)o1 Amb18202766 [0,0,0,0,0,1|2,0,0]=3 2398 B10R1.54 Cc1ncc(CC(=O)O)s1 Amb33542460 [0,0,0,0,0,1|2,0,0]=3 2399 B10R1.54 Cc1ncc(CC(N)=O)s1 Amb28134937 [0,0,0,0,0,1|3,0,0]=4 2400 B10R1.54 Cc1ncc(NC(N)=O)s1 Amb27260027 [0,0,0,0,0,1|3,0,0]=4 2401 B10R1.54 Cc1ncn(CC(=O)O)n1 Amb18254893 [0,0,0,0,0,1|3,0,0]=4 2402 B10R1.54 Cc1nnc(CC(=O)O)o1 Amb6739989 [0,0,0,0,0,1|3,0,0]=4 2403 B10R1.54 Cc1nnc(CC(=O)O)s1 Amb8009453 [0,0,0,0,0,1|3,0,0]=4 2404 B10R1.54 Cc1noc(CC(=O)O)n1 Amb17399871 [0,0,0,0,0,1|3,0,0]=4 2405 B10R1.54 Cc1nsc(CC(=O)O)n1 Amb18830502 [0,0,0,0,0,1|3,0,0]=4 2406 B10R1.54 Cn1cc(CC(=O)Cl)cn1 Amb27627475 [0,0,0,0,0,1|3,0,0]=4 2407 B10R1.54 Cn1cc(CC(=O)O)cn1 Amb29083420 [0,0,0,0,0,1|2,0,0]=3 2408 B10R1.54 Cn1cc(CC(=O)O)cn1 Amb33552492 [0,0,0,0,0,1|2,0,0]=3 2409 B10R1.54 Cn1cc(CC(=O)O)nn1 Amb23570371 [0,0,0,0,0,1|3,0,0]=4 2410 B10R1.54 Cn1cc(CC(=O)O)nn1 Amb32645969 [0,0,0,0,0,1|3,0,0]=4 2411 B10R1.54 Cn1cc(CC(N)=O)cn1 Amb28063424 [0,0,0,0,0,1|3,0,0]=4 2412 B10R1.54 Cn1cc(NC(=O)Cl)cn1 Amb35625763 [0,0,0,0,0,1|3,0,0]=4 2413 B10R1.54 Cn1cc(OC(=O)Cl)cn1 Amb25125703 [0,0,0,0,0,1|3,0,0]=4 2414 B10R1.54 Cn1cc[n+](CC(=O)O)c1 Amb10573098 [0,0,0,0,0,1|3,0,0]=4 2415 B10R1.54 Cn1ccc(CC(=O)O)c1 Amb18064824 [0,0,0,0,0,1|2,0,0]=3 2416 B10R1.54 Cn1ccc(CC(=O)O)n1 Amb16229976 [0,0,0,0,0,1|3,0,0]=4 2417 B10R1.54 Cn1ccc(CC(=O)O)n1 Amb29083378 [0,0,0,0,0,1|3,0,0]=4 2418 B10R1.54 Cn1ccc(CC(N)=O)c1 Amb18893402 [0,0,0,0,0,1|3,0,0]=4 2419 B10R1.54 Cn1cnc(CC(=O)O)c1 Amb13883551 [0,0,0,0,0,1|3,0,0]=4 2420 B10R1.54 Cn1cnc(CC(=O)O)c1 Amb22295902 [0,0,0,0,0,1|3,0,0]=4 2421 B10R1.54 Cn1ncc(CC(=O)O)n1 Amb23541048 [0,0,0,0,0,1|3,0,0]=4 2422 B10R1.54 N=C(N)Cc1csc(Br)c1 Amb33433636 [0,0,0,0,0,1|3,0,0]=4 2423 B10R1.54 NC(=O)Cc1csc(Br)n1 Amb22495405 [0,0,0,0,0,1|3,0,0]=4 2424 B10R1.54 NC(=O)Cc1csc(Cl)n1 Amb28042932 [0,0,0,0,0,1|3,0,0]=4 2425 B10R1.54 NC(=O)Cc1csc(I)n1 Amb27240281 [0,0,0,0,0,1|3,0,0]=4 2426 B10R1.54 NC(=O)Cc1csc(N)n1 Amb449717 [0,0,0,0,0,1|3,0,0]=4 2427 B10R1.54 NC(=S)Cc1csc(Br)c1 Amb33433637 [0,0,0,0,0,1|2,1,0]=4 2428 B10R1.54 Nc1cc(CC(=O)O)no1 Amb27645726 [0,0,0,0,0,1|2,1,0]=4 2429 B10R1.54 Nc1cc(CC(=O)O)on1 Amb18202643 [0,0,0,0,0,1|3,0,0]=4 2430 B10R1.54 Nc1cn(CC(=O)O)cn1 Amb18202754 [0,0,0,0,0,1|3,0,0]=4 2431 B10R1.54 Nc1csc(CC(=O)O)c1 Amb18830633 [0,0,0,0,0,1|3,0,0]=4 2432 B10R1.54 Nc1nc(CC(=O)Cl)cs1 Amb26583821 [0,0,0,0,0,1|3,0,0]=4 2433 B10R1.54 Nc1nc(CC(=O)O)cs1 Amb535456 [0,0,0,0,0,1|2,0,0]=3 2434 B10R1.54 Nc1nc(CC(=O)O)cs1 Amb8390750 [0,0,0,0,0,1|2,0,0]=3 2435 B10R1.54 Nc1nc(CC(=O)O)ns1 Amb18199877 [0,0,0,0,0,1|3,0,0]=4 2436 B10R1.54 Nc1ncc(CC(=O)O)o1 Amb18202644 [0,0,0,0,0,1|3,0,0]=4 2437 B10R1.54 Nc1ncc(CC(=O)O)s1 Amb5751223 [0,0,0,0,0,1|3,0,0]=4 2438 B10R1.54 O=C(Cl)Cc1csc(Cl)n1 Amb26567640 [0,0,0,0,0,1|3,0,0]=4 2439 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [0,0,0,0,0,1|2,0,1]=4 2440 B10R1.54 O=C(O)CC1=CC(=O)NN1 Amb18202650 [0,0,0,0,0,1|3,0,0]=4 2441 B10R1.54 O=C(O)CC1=CC(=O)NO1 Amb18831605 [0,0,0,0,0,1|3,0,0]=4 2442 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [0,0,0,0,0,1|1,1,1]=4 2443 B10R1.54 O=C(O)CC1=CC(=O)ON1 Amb28348890 [0,0,0,0,0,1|2,1,0]=4 2444 B10R1.54 O=C(O)CC1=CSC(=O)N1 Amb18534615 [0,0,0,0,0,1|2,0,0]=3 2445 B10R1.54 O=C(O)CC1=CSC(=O)S1 Amb27955216 [0,0,0,0,0,1|2,0,0]=3 2446 B10R1.54 O=C(O)Cc1cc(Br)co1 Amb33335215 [0,0,0,0,0,1|3,0,0]=4 2447 B10R1.54 O=C(O)Cc1cc(Br)cs1 Amb10069924 [0,0,0,0,0,1|3,0,0]=4 2448 B10R1.54 O=C(O)Cc1cc(Cl)cs1 Amb26599631 [0,0,0,0,0,1|3,0,0]=4 2449 B10R1.54 O=C(O)Cc1cc(Cl)on1 Amb24480665 [0,0,0,0,0,1|2,1,0]=4 2450 B10R1.54 O=C(O)Cc1cc(O)on1 Amb23504423 [0,0,0,0,0,1|2,1,0]=4 2451 B10R1.54 O=C(O)Cc1ccc(Br)o1 Amb26028263 [0,0,0,0,0,1|3,0,0]=4 2452 B10R1.54 O=C(O)Cc1ccc(Br)s1 Amb2237320 [0,0,0,0,0,1|3,0,0]=4 2453 B10R1.54 O=C(O)Cc1ccc(Cl)o1 Amb27868697 [0,0,0,0,0,1|3,0,0]=4 2454 B10R1.54 O=C(O)Cc1ccc(Cl)s1 Amb2235520 [0,0,0,0,0,1|3,0,0]=4 2455 B10R1.54 O=C(O)Cc1ccc(F)o1 Amb25842555 [0,0,0,0,0,1|3,0,0]=4 2456 B10R1.54 O=C(O)Cc1ccc(F)s1 Amb24269131 [0,0,0,0,0,1|3,0,0]=4 2457 B10R1.54 O=C(O)Cc1ccc(I)o1 Amb24622567 [0,0,0,0,0,1|3,0,0]=4 2458 B10R1.54 O=C(O)Cc1cnc(Br)s1 Amb18161036 [0,0,0,0,0,1|3,0,0]=4 2459 B10R1.54 O=C(O)Cc1cnc(Cl)o1 Amb28199010 [0,0,0,0,0,1|3,0,0]=4 2460 B10R1.54 O=C(O)Cc1cnc(Cl)s1 Amb26987732 [0,0,0,0,0,1|3,0,0]=4 2461 B10R1.54 O=C(O)Cc1cnc(O)s1 Amb27757499 [0,0,0,0,0,1|3,0,0]=4 2462 B10R1.54 O=C(O)Cc1coc(Br)c1 Amb28122049 [0,0,0,0,0,1|1,1,0]=3 2463 B10R1.54 O=C(O)Cc1coc(Cl)n1 Amb27229258 [0,0,0,0,0,1|2,1,0]=4 2464 B10R1.54 O=C(O)Cc1csc(Br)c1 Amb25312095 [0,0,0,0,0,1|1,0,0]=2 2465 B10R1.54 O=C(O)Cc1csc(Br)n1 Amb17405994 [0,0,0,0,0,1|2,0,0]=3 2466 B10R1.54 O=C(O)Cc1csc(Cl)c1 Amb5719931 [0,0,0,0,0,1|1,0,0]=2 2467 B10R1.54 O=C(O)Cc1csc(Cl)n1 Amb23439991 [0,0,0,0,0,1|2,0,0]=3 2468 B10R1.54 O=C(O)Cc1csc(S)n1 Amb2797874 [0,0,0,0,0,1|2,0,0]=3 2469 B10R1.54 O=C(O)Cn1cnc(Br)c1 Amb24668191 [0,0,0,0,0,1|3,0,0]=4 2470 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 Amb18643475 [0,0,0,0,0,1|3,0,0]=4 2471 B10R1.54 O=[N+]([O-])Cc1csc(Br)c1 Amb33433229 [0,0,0,0,0,1|2,0,1]=4 2472 B10R1.113 C=C(C)c1cc(C)ccn1 Amb24397302 [0,0,0,0,0,1|3,0,0]=4 2473 B10R1.113 C=C(C)c1cccc(C)c1 Amb10844683 [0,0,0,0,0,1|3,0,0]=4 2474 B10R1.113 C=C(C)c1cncc(C)c1 Amb32641664 [0,0,0,0,0,1|3,0,0]=4 2475 B10R1.113 C=C(Cl)c1cc(C)ccn1 Amb27462519 [0,0,0,0,0,1|3,0,0]=4 2476 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Amb33545567 [0,0,0,0,0,1|3,0,0]=4 2477 B10R1.113 CC(=O)C1=CC(=O)NN=C1 Amb24736392 [0,0,0,0,0,1|3,0,0]=4 2478 B10R1.113 CC(=O)C1=CN(C)C=CC1 Amb26474872 [0,0,0,0,0,1|3,0,0]=4 2479 B10R1.113 CC(=O)C1=CN(C)CC=C1 Amb26557676 [0,0,0,0,0,1|3,0,0]=4 2480 B10R1.113 CC(=O)c1cc(Br)ccn1 Amb21858737 [0,0,0,0,0,1|3,0,0]=4 2481 B10R1.113 CC(=O)c1cc(C)ccn1 Amb8392275 [0,0,0,0,0,1|2,0,0]=3 2482 B10R1.113 CC(=O)c1cc(C)ncn1 Amb8630234 [0,0,0,0,0,1|2,0,0]=3 2483 B10R1.113 CC(=O)c1cc(Cl)ccn1 Amb10603326 [0,0,0,0,0,1|3,0,0]=4 2484 B10R1.113 CC(=O)c1cc(Cl)ncn1 Amb25146886 [0,0,0,0,0,1|3,0,0]=4 2485 B10R1.113 CC(=O)c1cc(F)ccn1 Amb25689744 [0,0,0,0,0,1|3,0,0]=4 2486 B10R1.113 CC(=O)c1cc(N)ccn1 Amb23401922 [0,0,0,0,0,1|3,0,0]=4 2487 B10R1.113 CC(=O)c1cc(O)ccn1 Amb23399916 [0,0,0,0,0,1|3,0,0]=4 2488 B10R1.113 CC(=O)c1ccc[n+](C)c1 Amb32455996 [0,0,0,0,0,1|3,0,0]=4 2489 B10R1.113 CC(=O)c1cccc(Br)c1 Amb2684932 [0,0,0,0,0,1|3,0,0]=4 2490 B10R1.113 CC(=O)c1cccc(C)c1 Amb3940080 [0,0,0,0,0,1|2,0,0]=3 2491 B10R1.113 CC(=O)c1cccc(C)n1 Amb10069245 [0,0,0,0,0,1|3,0,0]=4 2492 B10R1.113 CC(=O)c1cccc(Cl)c1 Amb3940078 [0,0,0,0,0,1|3,0,0]=4 2493 B10R1.113 CC(=O)c1cccc(F)c1 Amb2688006 [0,0,0,0,0,1|3,0,0]=4 2494 B10R1.113 CC(=O)c1cccc(I)c1 Amb2688831 [0,0,0,0,0,1|3,0,0]=4 2495 B10R1.113 CC(=O)c1cccc(N)c1 Amb2684314 [0,0,0,0,0,1|3,0,0]=4 2496 B10R1.113 CC(=O)c1cccc(O)c1 Amb2792768 [0,0,0,0,0,1|3,0,0]=4 2497 B10R1.113 CC(=O)c1cccc(S)c1 Amb19374493 [0,0,0,0,0,1|3,0,0]=4 2498 B10R1.113 CC(=O)c1ccnc(Br)c1 Amb10069912 [0,0,0,0,0,1|3,0,0]=4 2499 B10R1.113 CC(=O)c1ccnc(Br)c1 Amb21964445 [0,0,0,0,0,1|3,0,0]=4 2500 B10R1.113 CC(=O)c1ccnc(C)c1 Amb19957654 [0,0,0,0,0,1|2,0,0]=3 2501 B10R1.113 CC(=O)c1ccnc(C)n1 Amb8630160 [0,0,0,0,0,1|3,0,0]=4 2502 B10R1.113 CC(=O)c1ccnc(Cl)c1 Amb6384342 [0,0,0,0,0,1|3,0,0]=4 2503 B10R1.113 CC(=O)c1ccnc(F)c1 Amb33543793 [0,0,0,0,0,1|3,0,0]=4 2504 B10R1.113 CC(=O)c1ccnc(N)c1 Amb18643066 [0,0,0,0,0,1|3,0,0]=4 2505 B10R1.113 CC(=O)c1ccnc(O)c1 Amb27259914 [0,0,0,0,0,1|3,0,0]=4 2506 B10R1.113 CC(=O)c1cncc(Br)c1 Amb2613045 [0,0,0,0,0,1|3,0,0]=4 2507 B10R1.113 CC(=O)c1cncc(C)c1 Amb21964245 [0,0,0,0,0,1|2,0,0]=3 2508 B10R1.113 CC(=O)c1cncc(Cl)c1 Amb28254502 [0,0,0,0,0,1|3,0,0]=4 2509 B10R1.113 CC(=O)c1cncc(F)c1 Amb19374623 [0,0,0,0,0,1|3,0,0]=4 2510 B10R1.113 CC(=O)c1cncc(O)c1 Amb23399982 [0,0,0,0,0,1|3,0,0]=4 2511 B10R1.113 CC(=O)c1cnnc(C)n1 Amb26887455 [0,0,0,0,0,1|3,0,0]=4 2512 B10R1.113 CC(=O)c1cnnc(Cl)c1 Amb25169314 [0,0,0,0,0,1|3,0,0]=4 2513 B10R1.113 CC1=CC(C(=O)O)CCC1 Amb27252115 [0,0,0,0,0,1|1,0,2]=4 2514 B10R1.113 CC1C=C(C(=O)O)CCC1 Amb24446315 [0,0,0,0,0,1|1,0,2]=4 2515 B10R1.113 CC1C=C(C(=O)O)OCC1 Amb27216275 [0,0,0,0,0,1|1,0,2]=4 2516 B10R1.113 CC1CCC=C(C(=O)O)C1 Amb28050150 [0,0,0,0,0,1|1,0,2]=4 2517 B10R1.113 C[NH+]1CCC=C(C(=O)O)C1 Amb24113846 [0,0,0,0,0,1|2,0,1]=4 2518 B10R1.113 C[n+]1cccc(C(=O)O)c1 Amb2609599 [0,0,0,0,0,1|2,0,0]=3 2519 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 Amb2613156 [0,0,0,0,0,1|2,0,1]=4 2520 B10R1.113 C[n+]1cccc(C(N)=O)c1 Amb17778548 [0,0,0,0,0,1|3,0,0]=4 2521 B10R1.113 C[n+]1cccc(C(N)=O)c1 Amb2609608 [0,0,0,0,0,1|3,0,0]=4 2522 B10R1.113 C[n+]1cccc(C(N)=O)c1 Amb6366501 [0,0,0,0,0,1|3,0,0]=4 2523 B10R1.113 C[n+]1ccnc(C(N)=O)c1 Amb10573251 [0,0,0,0,0,1|3,0,0]=4 2524 B10R1.113 Cc1cc(B(O)O)ccn1 Amb10069959 [0,0,0,0,0,1|2,0,1]=4 2525 B10R1.113 Cc1cc(B(O)O)ccn1 Amb13887056 [0,0,0,0,0,1|2,0,1]=4 2526 B10R1.113 Cc1cc(C(=N)N)ccn1 Amb24638662 [0,0,0,0,0,1|3,0,0]=4 2527 B10R1.113 Cc1cc(C(=O)Cl)ccn1 Amb25138191 [0,0,0,0,0,1|2,0,0]=3 2528 B10R1.113 Cc1cc(C(=O)O)ccn1 Amb33313466 [0,0,0,0,0,1|1,0,0]=2 2529 B10R1.113 Cc1cc(C(=O)O)ccn1 Amb33545061 [0,0,0,0,0,1|1,0,0]=2 2530 B10R1.113 Cc1cc(C(=O)O)cnn1 Amb24505306 [0,0,0,0,0,1|1,0,0]=2 2531 B10R1.113 Cc1cc(C(=O)O)cnn1 Amb28555551 [0,0,0,0,0,1|1,0,0]=2 2532 B10R1.113 Cc1cc(C(=O)O)ncn1 Amb18948013 [0,0,0,0,0,1|1,0,0]=2 2533 B10R1.113 Cc1cc(C(C)O)ccn1 Amb24410724 [0,0,0,0,0,1|2,0,1]=4 2534 B10R1.113 Cc1cc(C(N)=O)ccn1 Amb22496777 [0,0,0,0,0,1|2,0,0]=3 2535 B10R1.113 Cc1cc(C(N)=S)ccn1 Amb22055850 [0,0,0,0,0,1|2,1,0]=4 2536 B10R1.113 Cc1cc(N(=O)=O)ccn1 Amb8384234 [0,0,0,0,0,1|2,0,1]=4 2537 B10R1.113 Cc1cc([C@@H](C)O)ccn1 Amb33268639 [0,0,0,0,0,1|2,0,1]=4 2538 B10R1.113 Cc1cc([C@H](C)O)ccn1 Amb33268657 [0,0,0,0,0,1|2,0,1]=4 2539 B10R1.113 Cc1cc([N+](=O)[O-])ccn1 Amb2447540 [0,0,0,0,0,1|2,0,1]=4 2540 B10R1.113 Cc1cccc(B(O)O)c1 Amb22044323 [0,0,0,0,0,1|2,0,1]=4 2541 B10R1.113 Cc1cccc(B(O)O)c1 Amb2447082 [0,0,0,0,0,1|2,0,1]=4 2542 B10R1.113 Cc1cccc(C(=N)N)c1 Amb2696293 [0,0,0,0,0,1|3,0,0]=4 2543 B10R1.113 Cc1cccc(C(=N)N)c1 Amb2726132 [0,0,0,0,0,1|3,0,0]=4 2544 B10R1.113 Cc1cccc(C(=O)Br)n1 Amb26869433 [0,0,0,0,0,1|3,0,0]=4 2545 B10R1.113 Cc1cccc(C(=O)Cl)c1 Amb3939040 [0,0,0,0,0,1|2,0,0]=3 2546 B10R1.113 Cc1cccc(C(=O)Cl)n1 Amb10610376 [0,0,0,0,0,1|3,0,0]=4 2547 B10R1.113 Cc1cccc(C(=O)O)c1 Amb2609027 [0,0,0,0,0,1|1,0,0]=2 2548 B10R1.113 Cc1cccc(C(=O)O)n1 Amb24081761 [0,0,0,0,0,1|2,0,0]=3 2549 B10R1.113 Cc1cccc(C(=O)O)n1 Amb2612995 [0,0,0,0,0,1|2,0,0]=3 2550 B10R1.113 Cc1cccc(C(C)O)c1 Amb33527067 [0,0,0,0,0,1|2,0,1]=4 2551 B10R1.113 Cc1cccc(C(N)=O)c1 Amb2720843 [0,0,0,0,0,1|2,0,0]=3 2552 B10R1.113 Cc1cccc(C(N)=O)n1 Amb8858808 [0,0,0,0,0,1|3,0,0]=4 2553 B10R1.113 Cc1cccc(C(N)=S)c1 Amb6549110 [0,0,0,0,0,1|2,1,0]=4 2554 B10R1.113 Cc1cccc(C(O)=S)c1 Amb24535989 [0,0,0,0,0,1|1,1,0]=3 2555 B10R1.113 Cc1cccc(S(=O)Cl)c1 Amb18065521 [0,0,0,0,0,1|3,0,0]=4 2556 B10R1.113 Cc1cccc(S(=O)O)c1 Amb18563469 [0,0,0,0,0,1|2,0,0]=3 2557 B10R1.113 Cc1cccc(S(=O)O)n1 Amb32992461 [0,0,0,0,0,1|3,0,0]=4 2558 B10R1.113 Cc1cccc(S(=O)[O-])c1 Amb19944453 [0,0,0,0,0,1|2,0,1]=4 2559 B10R1.113 Cc1cccc(S(C)=O)c1 Amb19892225 [0,0,0,0,0,1|3,0,0]=4 2560 B10R1.113 Cc1cccc([C@@H](C)O)c1 Amb24476868 [0,0,0,0,0,1|2,0,1]=4 2561 B10R1.113 Cc1cccc([C@H](C)O)c1 Amb25335556 [0,0,0,0,0,1|2,0,1]=4 2562 B10R1.113 Cc1cccc([N+](=O)[O-])c1 Amb6297214 [0,0,0,0,0,1|2,0,1]=4 2563 B10R1.113 Cc1ccnc(B(O)O)c1 Amb8395991 [0,0,0,0,0,1|2,0,1]=4 2564 B10R1.113 Cc1ccnc(C(=N)N)c1 Amb22235877 [0,0,0,0,0,1|3,0,0]=4 2565 B10R1.113 Cc1ccnc(C(=N)N)c1 Amb24502404 [0,0,0,0,0,1|3,0,0]=4 2566 B10R1.113 Cc1ccnc(C(=O)O)c1 Amb22490414 [0,0,0,0,0,1|1,0,0]=2 2567 B10R1.113 Cc1ccnc(C(=O)O)c1 Amb2795204 [0,0,0,0,0,1|1,0,0]=2 2568 B10R1.113 Cc1ccnc(C(=O)O)n1 Amb33204433 [0,0,0,0,0,1|2,0,0]=3 2569 B10R1.113 Cc1ccnc(C(=O)O)n1 Amb8010644 [0,0,0,0,0,1|2,0,0]=3 2570 B10R1.113 Cc1ccnc(C(=O)[O-])n1 Amb33299249 [0,0,0,0,0,1|2,0,1]=4 2571 B10R1.113 Cc1ccnc(C(C)O)c1 Amb26316565 [0,0,0,0,0,1|2,0,1]=4 2572 B10R1.113 Cc1ccnc(C(N)=O)c1 Amb16231199 [0,0,0,0,0,1|2,0,0]=3 2573 B10R1.113 Cc1ccnc(C(N)=S)c1 Amb16231246 [0,0,0,0,0,1|2,1,0]=4 2574 B10R1.113 Cc1ccnc(N(=O)=O)c1 Amb20621689 [0,0,0,0,0,1|2,0,1]=4 2575 B10R1.113 Cc1ccnc(S(=O)O)c1 Amb32992447 [0,0,0,0,0,1|2,0,0]=3 2576 B10R1.113 Cc1ccnc(S(=O)[O-])c1 Amb32992529 [0,0,0,0,0,1|2,0,1]=4 2577 B10R1.113 Cc1ccnc([C@@H](C)O)c1 Amb26639178 [0,0,0,0,0,1|2,0,1]=4 2578 B10R1.113 Cc1ccnc([C@H](C)O)c1 Amb26605542 [0,0,0,0,0,1|2,0,1]=4 2579 B10R1.113 Cc1ccnc([N+](=O)[O-])c1 Amb2795549 [0,0,0,0,0,1|2,0,1]=4 2580 B10R1.113 Cc1cncc(B(O)O)c1 Amb8387626 [0,0,0,0,0,1|2,0,1]=4 2581 B10R1.113 Cc1cncc(C(=N)N)c1 Amb24062388 [0,0,0,0,0,1|3,0,0]=4 2582 B10R1.113 Cc1cncc(C(=O)O)c1 Amb10068354 [0,0,0,0,0,1|1,0,0]=2 2583 B10R1.113 Cc1cncc(C(=O)O)c1 Amb2694191 [0,0,0,0,0,1|1,0,0]=2 2584 B10R1.113 Cc1cncc(C(=O)O)n1 Amb8011544 [0,0,0,0,0,1|2,0,0]=3 2585 B10R1.113 Cc1cncc(C(C)O)c1 Amb27179832 [0,0,0,0,0,1|2,0,1]=4 2586 B10R1.113 Cc1cncc(C(N)=O)c1 Amb8388683 [0,0,0,0,0,1|2,0,0]=3 2587 B10R1.113 Cc1cncc(C(N)=S)c1 Amb27838830 [0,0,0,0,0,1|2,1,0]=4 2588 B10R1.113 Cc1cncc(C(O)Cl)c1 Amb16231969 [0,0,0,0,0,1|2,0,1]=4 2589 B10R1.113 Cc1cncc(N(=O)=O)c1 Amb20621692 [0,0,0,0,0,1|2,0,1]=4 2590 B10R1.113 Cc1cncc([C@@H](C)O)c1 Amb33318326 [0,0,0,0,0,1|2,0,1]=4 2591 B10R1.113 Cc1cncc([C@H](C)O)c1 Amb33374479 [0,0,0,0,0,1|2,0,1]=4 2592 B10R1.113 Cc1cnnc(C(=O)O)c1 Amb18832254 [0,0,0,0,0,1|2,0,0]=3 2593 B10R1.113 Cc1cnnc(C(=O)[O-])c1 Amb32667056 [0,0,0,0,0,1|2,0,1]=4 2594 B10R1.113 Cc1nccc(C(=O)Cl)n1 Amb28135689 [0,0,0,0,0,1|3,0,0]=4 2595 B10R1.113 Cc1nccc(C(=O)O)n1 Amb10602122 [0,0,0,0,0,1|2,0,0]=3 2596 B10R1.113 Cc1nncc(C(=O)O)n1 Amb27822654 [0,0,0,0,0,1|2,0,0]=3 2597 B10R1.113 N=C(O)c1cc(F)ccn1 Amb22411479 [0,0,0,0,0,1|3,0,0]=4 2598 B10R1.113 NC(=O)C1=CC(=O)NN=C1 Amb23400499 [0,0,0,0,0,1|3,0,0]=4 2599 B10R1.113 NC(=O)c1c[nH+]cc([O-])c1 Amb616317 [0,0,0,0,0,1|3,0,0]=4 2600 B10R1.113 NC(=O)c1cc(Br)ccn1 Amb2549772 [0,0,0,0,0,1|3,0,0]=4 2601 B10R1.113 NC(=O)c1cc(Cl)ccn1 Amb581610 [0,0,0,0,0,1|3,0,0]=4 2602 B10R1.113 NC(=O)c1cc(Cl)ncn1 Amb28251930 [0,0,0,0,0,1|3,0,0]=4 2603 B10R1.113 NC(=O)c1cc(I)ccn1 Amb27871356 [0,0,0,0,0,1|3,0,0]=4 2604 B10R1.113 NC(=O)c1cc(N)ccn1 Amb33531653 [0,0,0,0,0,1|3,0,0]=4 2605 B10R1.113 NC(=O)c1cccc(Br)c1 Amb2716206 [0,0,0,0,0,1|3,0,0]=4 2606 B10R1.113 NC(=O)c1cccc(Cl)c1 Amb1218066 [0,0,0,0,0,1|3,0,0]=4 2607 B10R1.113 NC(=O)c1cccc(F)c1 Amb3886563 [0,0,0,0,0,1|3,0,0]=4 2608 B10R1.113 NC(=O)c1cccc(I)c1 Amb3887764 [0,0,0,0,0,1|3,0,0]=4 2609 B10R1.113 NC(=O)c1cccc(N)c1 Amb1106189 [0,0,0,0,0,1|3,0,0]=4 2610 B10R1.113 NC(=O)c1cccc(O)c1 Amb3939531 [0,0,0,0,0,1|3,0,0]=4 2611 B10R1.113 NC(=O)c1cccc(S)c1 Amb24059371 [0,0,0,0,0,1|3,0,0]=4 2612 B10R1.113 NC(=O)c1ccnc(Br)c1 Amb6565030 [0,0,0,0,0,1|3,0,0]=4 2613 B10R1.113 NC(=O)c1ccnc(Cl)c1 Amb2686144 [0,0,0,0,0,1|3,0,0]=4 2614 B10R1.113 NC(=O)c1ccnc(F)c1 Amb13951683 [0,0,0,0,0,1|3,0,0]=4 2615 B10R1.113 NC(=O)c1ccnc(I)c1 Amb10608176 [0,0,0,0,0,1|3,0,0]=4 2616 B10R1.113 NC(=O)c1ccnc(N)c1 Amb2696285 [0,0,0,0,0,1|3,0,0]=4 2617 B10R1.113 NC(=O)c1cncc(Br)c1 Amb2570605 [0,0,0,0,0,1|3,0,0]=4 2618 B10R1.113 NC(=O)c1cncc(Cl)c1 Amb19895235 [0,0,0,0,0,1|3,0,0]=4 2619 B10R1.113 NC(=O)c1cncc(F)c1 Amb21856857 [0,0,0,0,0,1|3,0,0]=4 2620 B10R1.113 NC(=O)c1cncc(N)c1 Amb10602828 [0,0,0,0,0,1|3,0,0]=4 2621 B10R1.113 NC(=O)c1cncc(O)c1 Amb33541953 [0,0,0,0,0,1|3,0,0]=4 2622 B10R1.113 NC(=O)c1cnnc(Cl)c1 Amb23400697 [0,0,0,0,0,1|3,0,0]=4 2623 B10R1.113 NC(=O)c1cnnc(N)c1 Amb24099507 [0,0,0,0,0,1|3,0,0]=4 2624 B10R1.113 Nc1cc(C(=O)O)ccn1 Amb842470 [0,0,0,0,0,1|2,0,0]=3 2625 B10R1.113 Nc1cc(C(=O)O)ccn1 Amb8503396 [0,0,0,0,0,1|2,0,0]=3 2626 B10R1.113 Nc1cc(C(=O)O)cnn1 Amb23557092 [0,0,0,0,0,1|2,0,0]=3 2627 B10R1.113 Nc1cc(C(=O)O)ncn1 Amb17935623 [0,0,0,0,0,1|2,0,0]=3 2628 B10R1.113 Nc1cc(C(=O)O)ncn1 Amb31289701 [0,0,0,0,0,1|2,0,0]=3 2629 B10R1.113 Nc1cc(C(=O)[O-])ncn1 Amb5606301 [0,0,0,0,0,1|2,0,1]=4 2630 B10R1.113 Nc1cc(S(=O)O)ncn1 Amb27945318 [0,0,0,0,0,1|3,0,0]=4 2631 B10R1.113 Nc1cccc(C(=O)O)c1 Amb1935166 [0,0,0,0,0,1|2,0,0]=3 2632 B10R1.113 Nc1cccc(C(=O)O)n1 Amb1235493 [0,0,0,0,0,1|3,0,0]=4 2633 B10R1.113 Nc1cccc([PH](=O)O)c1 Amb27823374 [0,0,0,0,0,1|3,0,0]=4 2634 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb19958023 [0,0,0,0,0,1|2,0,0]=3 2635 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb2794992 [0,0,0,0,0,1|2,0,0]=3 2636 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb30588548 [0,0,0,0,0,1|2,0,0]=3 2637 B10R1.113 Nc1ccnc(C(=O)O)c1 Amb30640048 [0,0,0,0,0,1|2,0,0]=3 2638 B10R1.113 Nc1ccnc(C(=O)O)n1 Amb18202983 [0,0,0,0,0,1|3,0,0]=4 2639 B10R1.113 Nc1cncc(C(=O)O)c1 Amb535918 [0,0,0,0,0,1|2,0,0]=3 2640 B10R1.113 Nc1cncc(C(=O)O)n1 Amb18643357 [0,0,0,0,0,1|3,0,0]=4 2641 B10R1.113 Nc1nccc(C(=O)O)n1 Amb8630057 [0,0,0,0,0,1|3,0,0]=4 2642 B10R1.113 O=C(Br)c1cccc(Br)c1 Amb27633153 [0,0,0,0,0,1|3,0,0]=4 2643 B10R1.113 O=C(Cl)c1cc(Br)ccn1 Amb24520483 [0,0,0,0,0,1|3,0,0]=4 2644 B10R1.113 O=C(Cl)c1cc(Cl)ccn1 Amb17611082 [0,0,0,0,0,1|3,0,0]=4 2645 B10R1.113 O=C(Cl)c1cc(Cl)ccn1 Amb3319263 [0,0,0,0,0,1|3,0,0]=4 2646 B10R1.113 O=C(Cl)c1cc(Cl)ncn1 Amb21618944 [0,0,0,0,0,1|3,0,0]=4 2647 B10R1.113 O=C(Cl)c1cc(I)ccn1 Amb28119248 [0,0,0,0,0,1|3,0,0]=4 2648 B10R1.113 O=C(Cl)c1cc(O)ccn1 Amb27199840 [0,0,0,0,0,1|3,0,0]=4 2649 B10R1.113 O=C(Cl)c1cccc(Br)c1 Amb2691918 [0,0,0,0,0,1|3,0,0]=4 2650 B10R1.113 O=C(Cl)c1cccc(Cl)c1 Amb3939312 [0,0,0,0,0,1|3,0,0]=4 2651 B10R1.113 O=C(Cl)c1cccc(F)c1 Amb2688033 [0,0,0,0,0,1|3,0,0]=4 2652 B10R1.113 O=C(Cl)c1cccc(I)c1 Amb3939575 [0,0,0,0,0,1|3,0,0]=4 2653 B10R1.113 O=C(Cl)c1ccnc(Cl)c1 Amb2720377 [0,0,0,0,0,1|3,0,0]=4 2654 B10R1.113 O=C(Cl)c1ccnc(F)c1 Amb17621620 [0,0,0,0,0,1|3,0,0]=4 2655 B10R1.113 O=C(Cl)c1cncc(Br)c1 Amb2725092 [0,0,0,0,0,1|3,0,0]=4 2656 B10R1.113 O=C(Cl)c1cncc(Cl)c1 Amb24071250 [0,0,0,0,0,1|3,0,0]=4 2657 B10R1.113 O=C(Cl)c1cncc(F)c1 Amb25691932 [0,0,0,0,0,1|3,0,0]=4 2658 B10R1.113 O=C(Cl)c1cncc(I)c1 Amb27185985 [0,0,0,0,0,1|3,0,0]=4 2659 B10R1.113 O=C(Cl)c1cnnc(Cl)c1 Amb27665800 [0,0,0,0,0,1|3,0,0]=4 2660 B10R1.113 O=C(F)c1cccc(Br)c1 Amb28315574 [0,0,0,0,0,1|3,0,0]=4 2661 B10R1.113 O=C(F)c1cccc(Cl)c1 Amb28046129 [0,0,0,0,0,1|3,0,0]=4 2662 B10R1.113 O=C(F)c1ccnc(F)c1 Amb24416828 [0,0,0,0,0,1|3,0,0]=4 2663 B10R1.113 O=C(O)C1=CC(=S)NC=C1 Amb19514542 [0,0,0,0,0,1|2,0,0]=3 2664 B10R1.113 O=C(O)C1C=C(Cl)C=CN1 Amb27758702 [0,0,0,0,0,1|2,0,1]=4 2665 B10R1.113 O=C(O)c1c[n+]([O-])ccn1 Amb17619655 [0,0,0,0,0,1|3,0,0]=4 2666 B10R1.113 O=C(O)c1cc(Br)ccn1 Amb2541475 [0,0,0,0,0,1|2,0,0]=3 2667 B10R1.113 O=C(O)c1cc(Br)ncn1 Amb27205845 [0,0,0,0,0,1|2,0,0]=3 2668 B10R1.113 O=C(O)c1cc(Cl)ccn1 Amb1106613 [0,0,0,0,0,1|2,0,0]=3 2669 B10R1.113 O=C(O)c1cc(Cl)cnn1 Amb27392267 [0,0,0,0,0,1|3,0,0]=4 2670 B10R1.113 O=C(O)c1cc(Cl)ncn1 Amb5717806 [0,0,0,0,0,1|2,0,0]=3 2671 B10R1.113 O=C(O)c1cc(F)ccn1 Amb19958323 [0,0,0,0,0,1|2,0,0]=3 2672 B10R1.113 O=C(O)c1cc(F)ncn1 Amb28196478 [0,0,0,0,0,1|2,0,0]=3 2673 B10R1.113 O=C(O)c1cc(I)ccn1 Amb10975473 [0,0,0,0,0,1|2,0,0]=3 2674 B10R1.113 O=C(O)c1cc(I)ccn1 Amb2540668 [0,0,0,0,0,1|2,0,0]=3 2675 B10R1.113 O=C(O)c1cc(O)ccn1 Amb1303199 [0,0,0,0,0,1|2,0,0]=3 2676 B10R1.113 O=C(O)c1cc(O)ncn1 Amb2591546 [0,0,0,0,0,1|2,0,0]=3 2677 B10R1.113 O=C(O)c1cc(S)ccn1 Amb18278971 [0,0,0,0,0,1|2,0,0]=3 2678 B10R1.113 O=C(O)c1cccc(Br)c1 Amb264315 [0,0,0,0,0,1|2,0,0]=3 2679 B10R1.113 O=C(O)c1cccc(Br)n1 Amb2610030 [0,0,0,0,0,1|3,0,0]=4 2680 B10R1.113 O=C(O)c1cccc(Cl)c1 Amb2223069 [0,0,0,0,0,1|2,0,0]=3 2681 B10R1.113 O=C(O)c1cccc(Cl)n1 Amb33544792 [0,0,0,0,0,1|3,0,0]=4 2682 B10R1.113 O=C(O)c1cccc(F)c1 Amb2688023 [0,0,0,0,0,1|2,0,0]=3 2683 B10R1.113 O=C(O)c1cccc(F)c1 Amb33513022 [0,0,0,0,0,1|2,0,0]=3 2684 B10R1.113 O=C(O)c1cccc(F)n1 Amb2688411 [0,0,0,0,0,1|3,0,0]=4 2685 B10R1.113 O=C(O)c1cccc(I)c1 Amb6456607 [0,0,0,0,0,1|2,0,0]=3 2686 B10R1.113 O=C(O)c1cccc(I)n1 Amb6565075 [0,0,0,0,0,1|3,0,0]=4 2687 B10R1.113 O=C(O)c1cccc(O)c1 Amb1208301 [0,0,0,0,0,1|2,0,0]=3 2688 B10R1.113 O=C(O)c1cccc(O)n1 Amb535788 [0,0,0,0,0,1|3,0,0]=4 2689 B10R1.113 O=C(O)c1cccc(S)c1 Amb5721847 [0,0,0,0,0,1|2,0,0]=3 2690 B10R1.113 O=C(O)c1cccc(S)n1 Amb1208363 [0,0,0,0,0,1|3,0,0]=4 2691 B10R1.113 O=C(O)c1cccn(=O)c1 Amb17749046 [0,0,0,0,0,1|3,0,0]=4 2692 B10R1.113 O=C(O)c1ccnc(Br)c1 Amb1353186 [0,0,0,0,0,1|2,0,0]=3 2693 B10R1.113 O=C(O)c1ccnc(Br)n1 Amb22499757 [0,0,0,0,0,1|3,0,0]=4 2694 B10R1.113 O=C(O)c1ccnc(Cl)c1 Amb1221736 [0,0,0,0,0,1|2,0,0]=3 2695 B10R1.113 O=C(O)c1ccnc(Cl)n1 Amb33544410 [0,0,0,0,0,1|3,0,0]=4 2696 B10R1.113 O=C(O)c1ccnc(F)c1 Amb2447269 [0,0,0,0,0,1|2,0,0]=3 2697 B10R1.113 O=C(O)c1ccnc(F)n1 Amb27488035 [0,0,0,0,0,1|3,0,0]=4 2698 B10R1.113 O=C(O)c1ccnc(I)c1 Amb6565049 [0,0,0,0,0,1|2,0,0]=3 2699 B10R1.113 O=C(O)c1ccnc(O)c1 Amb842469 [0,0,0,0,0,1|2,0,0]=3 2700 B10R1.113 O=C(O)c1ccnc(O)n1 Amb21927951 [0,0,0,0,0,1|3,0,0]=4 2701 B10R1.113 O=C(O)c1ccnc(S)n1 Amb18200233 [0,0,0,0,0,1|3,0,0]=4 2702 B10R1.113 O=C(O)c1cncc(Br)c1 Amb1232836 [0,0,0,0,0,1|2,0,0]=3 2703 B10R1.113 O=C(O)c1cncc(Br)n1 Amb22728068 [0,0,0,0,0,1|3,0,0]=4 2704 B10R1.113 O=C(O)c1cncc(Cl)c1 Amb2540665 [0,0,0,0,0,1|2,0,0]=3 2705 B10R1.113 O=C(O)c1cncc(Cl)n1 Amb10067218 [0,0,0,0,0,1|3,0,0]=4 2706 B10R1.113 O=C(O)c1cncc(F)c1 Amb8009491 [0,0,0,0,0,1|2,0,0]=3 2707 B10R1.113 O=C(O)c1cncc(F)n1 Amb21961694 [0,0,0,0,0,1|3,0,0]=4 2708 B10R1.113 O=C(O)c1cncc(I)c1 Amb8630991 [0,0,0,0,0,1|2,0,0]=3 2709 B10R1.113 O=C(O)c1cncc(O)c1 Amb2610681 [0,0,0,0,0,1|2,0,0]=3 2710 B10R1.113 O=C(O)c1cncc(S)c1 Amb26366326 [0,0,0,0,0,1|2,0,0]=3 2711 B10R1.113 O=C(O)c1cncc(S)c1 Amb28555512 [0,0,0,0,0,1|2,0,0]=3 2712 B10R1.113 O=C(O)c1cnnc(Br)c1 Amb28246467 [0,0,0,0,0,1|2,0,0]=3 2713 B10R1.113 O=C(O)c1cnnc(Cl)c1 Amb19895270 [0,0,0,0,0,1|2,0,0]=3 2714 B10R1.113 O=C(O)c1nccc(Br)n1 Amb25375744 [0,0,0,0,0,1|3,0,0]=4 2715 B10R1.113 O=C(O)c1nccc(Cl)n1 Amb20241397 [0,0,0,0,0,1|3,0,0]=4 2716 B10R1.113 O=C(O)c1nccc(F)n1 Amb27224179 [0,0,0,0,0,1|3,0,0]=4 2717 B10R1.113 O=C(O)c1ncnc(Cl)n1 Amb25267815 [0,0,0,0,0,1|3,0,0]=4 2718 B10R1.113 O=C([O-])c1cc(O)ncn1 Amb33038433 [0,0,0,0,0,1|2,0,1]=4 2719 B10R1.113 O=C([O-])c1cccc(F)c1 Amb8397064 [0,0,0,0,0,1|2,0,1]=4 2720 B10R1.113 O=C([O-])c1cccc(O)c1 Amb22277134 [0,0,0,0,0,1|2,0,1]=4 2721 B10R1.113 O=C1C=C(C(=O)O)C=CN1 Amb18124536 [0,0,0,0,0,1|2,0,0]=3 2722 B10R1.113 O=C1C=C(C(=O)O)C=NN1 Amb19894955 [0,0,0,0,0,1|2,0,0]=3 2723 B10R1.113 O=C1C=C(C(=O)O)CCC1 Amb10789564 [0,0,0,0,0,1|2,0,1]=4 2724 B10R1.113 O=C1C=C(C(=O)O)N=CN1 Amb18062111 [0,0,0,0,0,1|2,0,0]=3 2725 B10R1.113 O=C1C=CC=C(C(=O)O)N1 Amb19514344 [0,0,0,0,0,1|3,0,0]=4 2726 B10R1.113 O=C1C=CC=C(C(=O)O)O1 Amb33533266 [0,0,0,0,0,1|3,0,0]=4 2727 B10R1.113 O=C1C=CNC(C(=O)O)=C1 Amb18832139 [0,0,0,0,0,1|2,0,0]=3 2728 B10R1.113 O=C1C=COC(C(=O)Cl)=C1 Amb25067758 [0,0,0,0,0,1|3,0,0]=4 2729 B10R1.113 O=C1C=COC(C(=O)O)=C1 Amb18643476 [0,0,0,0,0,1|2,0,0]=3 2730 B10R1.113 O=C1C=NC=C(C(=O)O)N1 Amb22011470 [0,0,0,0,0,1|3,0,0]=4 2731 B10R1.113 O=C1CC(C(=O)O)=CC=N1 Amb2783836 [0,0,0,0,0,1|2,0,1]=4 2732 B10R1.113 O=C1CCC=C(C(=O)O)C1 Amb2699959 [0,0,0,0,0,1|2,0,1]=4 2733 B10R1.113 O=C1N=CC=C(C(=O)O)N1 Amb19957719 [0,0,0,0,0,1|3,0,0]=4 2734 B10R1.113 O=C1NCC=C(C(=O)O)N1 Amb28293127 [0,0,0,0,0,1|3,0,0]=4 2735 B10R1.113 O=S(O)c1cc(Cl)ccn1 Amb32992464 [0,0,0,0,0,1|3,0,0]=4 2736 B10R1.113 O=S(O)c1cc(F)ccn1 Amb32992444 [0,0,0,0,0,1|3,0,0]=4 2737 B10R1.113 O=S(O)c1cccc(Cl)c1 Amb18564048 [0,0,0,0,0,1|3,0,0]=4 2738 B10R1.113 O=S(O)c1cccc(F)c1 Amb25263422 [0,0,0,0,0,1|3,0,0]=4 2739 B10R1.113 O=S(O)c1ccnc(Cl)c1 Amb32753687 [0,0,0,0,0,1|3,0,0]=4 2740 B10R1.113 O=S(O)c1cncc(Cl)c1 Amb32753675 [0,0,0,0,0,1|3,0,0]=4 2741 B10R1.113 O=[N+](O)c1ccnc(Cl)c1 Amb3632330 [0,0,0,0,0,1|3,0,0]=4 2742 B10R1.113 [NH3+]c1cccc(C(=O)O)c1 Amb6365978 [0,0,0,0,0,1|2,0,0]=3 2743 B10R1.113 [NH3+]c1cncc(C(=O)[O-])c1 Amb575382 [0,0,0,0,0,1|2,0,1]=4 2744 B7R0.3 C=C(C=O)C\C=C\C Amb26441086 [1,0,1,0,0,0|1,0,1]=4 2745 B7R0.3 CCS\C=C(\O)C=O Amb27412581 [1,0,1,0,0,0|1,0,1]=4 2746 B7R0.3 C\C=C/C=C(/C)C=O Amb27392706 [1,0,1,0,0,0|1,0,1]=4 2747 B7R0.3 C\C=C\C=C(/C)C=O Amb27204994 [1,0,1,0,0,0|1,0,1]=4 2748 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [1,0,1,0,0,0|1,0,0]=3 2749 B7R0.4 C=C(C)C\C=C\CO Amb27181043 [1,0,1,0,0,0|1,0,1]=4 2750 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [1,0,1,0,0,0|1,0,1]=4 2751 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [1,0,1,0,0,0|2,0,0]=4 2752 B7R0.4 CC(C)=C\C=C/C=O Amb27169113 [1,0,1,0,0,0|1,0,1]=4 2753 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,0,1,0,0,0|1,0,1]=4 2754 B7R0.4 CCO\C=C\C(=O)O Amb2725260 [1,0,1,0,0,0|0,1,1]=4 2755 B7R0.4 CCS\C=C/C(C)=O Amb28122375 [1,0,1,0,0,0|1,0,1]=4 2756 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [1,0,1,0,0,0|2,0,0]=4 2757 B7R0.4 COC\C=C\C(=O)O Amb33986212 [1,0,1,0,0,0|2,0,0]=4 2758 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,0,1,0,0,0|0,0,2]=4 2759 B7R0.4 C\C=C/C=C/C(C)=O Amb28129038 [1,0,1,0,0,0|2,0,0]=4 2760 B7R0.4 C\C=C\C=C\C(=O)Cl Amb32664141 [1,0,1,0,0,0|2,0,0]=4 2761 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [1,0,1,0,0,0|1,0,0]=3 2762 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33512746 [1,0,1,0,0,0|1,0,1]=4 2763 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33723188 [1,0,1,0,0,0|1,0,1]=4 2764 B7R0.4 C\C=C\C=C\C(C)=O Amb17593137 [1,0,1,0,0,0|2,0,0]=4 2765 B7R0.4 C\C=C\C=C\C(N)=O Amb28400805 [1,0,1,0,0,0|2,0,0]=4 2766 B7R0.4 N#CS\C=C/C(=O)O Amb28203932 [1,0,1,0,0,0|1,0,1]=4 2767 B7R0.4 N#CS\C=C\C(=O)O Amb28435246 [1,0,1,0,0,0|1,0,1]=4 2768 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [1,0,1,0,0,0|2,0,0]=4 2769 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [1,0,1,0,0,0|2,0,0]=4 2770 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [1,0,1,0,0,0|0,0,2]=4 2771 B7R0.5 C=C(COC)C(=O)O Amb26978134 [1,0,1,0,0,0|0,1,1]=4 2772 B7R0.5 C=C(CSC)C(=O)O Amb26953041 [1,0,1,0,0,0|0,0,1]=3 2773 B7R0.5 C=C(\C=C\C)C(C)=O Amb25712751 [1,0,1,0,0,0|1,0,0]=3 2774 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [1,0,1,0,0,0|0,0,2]=4 2775 B7R0.5 C=C\C=C(/Cl)C(=O)O Amb18642910 [1,0,1,0,0,0|1,0,1]=4 2776 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [1,0,1,0,0,0|0,0,2]=4 2777 B7R0.5 CCSC(=O)C(=O)O Amb28410577 [1,0,1,0,0,0|1,0,1]=4 2778 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [1,0,1,0,0,0|0,0,2]=4 2779 B7R0.5 CC\C=C(/F)C(=O)O Amb27968785 [1,0,1,0,0,0|1,0,1]=4 2780 B7R0.5 CC\C=C(\C)C(=O)O Amb27233430 [1,0,1,0,0,0|0,0,2]=4 2781 B7R0.5 CO\C=C(/C)C(=O)O Amb18641867 [1,0,1,0,0,0|0,1,1]=4 2782 B7R0.5 CO\C=C(/F)C(=O)O Amb28369284 [1,0,1,0,0,0|1,1,0]=4 2783 B7R0.5 CO\C=C(\F)C(=O)O Amb22641708 [1,0,1,0,0,0|1,1,0]=4 2784 B7R0.5 CO\C=C(\I)C(=O)O Amb27228187 [1,0,1,0,0,0|1,1,0]=4 2785 B7R0.5 CO\C=C(\N)C(=O)O Amb27390812 [1,0,1,0,0,0|1,1,0]=4 2786 B7R0.5 CS\C=C(/C)C(C)=O Amb24481401 [1,0,1,0,0,0|1,0,1]=4 2787 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,0,1,0,0,0|0,1,1]=4 2788 B7R0.5 C\C(=C/CS)C(=O)O Amb28041309 [1,0,1,0,0,0|0,0,2]=4 2789 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,0,1,0,0,0|1,0,1]=4 2790 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,0,1,0,0,0|0,1,1]=4 2791 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,0,1,0,0,0|1,0,1]=4 2792 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,0,1,0,0,0|0,1,1]=4 2793 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,0,1,0,0,0|0,1,1]=4 2794 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,0,1,0,0,0|1,1,0]=4 2795 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,0,1,0,0,0|1,1,0]=4 2796 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [1,0,1,0,0,0|1,0,0]=3 2797 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,0,1,0,0,0|0,0,2]=4 2798 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,0,1,0,0,0|1,0,1]=4 2799 B7R0.6 C=C(C)\C=C/C(C)=O Amb28061353 [1,0,1,0,0,0|1,0,0]=3 2800 B7R0.6 C=C(C)\C=C\B(O)O Amb25348319 [1,0,1,0,0,0|1,0,1]=4 2801 B7R0.6 C=C(C)\C=C\C(=C)C Amb27229870 [1,0,1,0,0,0|2,0,0]=4 2802 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [1,0,1,0,0,0|0,0,0]=2 2803 B7R0.6 C=C(C)\C=C\C(C)=O Amb33172526 [1,0,1,0,0,0|1,0,0]=3 2804 B7R0.6 C=C(C)\C=C\[N+](=O)[O-] Amb33199530 [1,0,1,0,0,0|1,0,1]=4 2805 B7R0.6 C=C(N)\C=C\C(=C)O Amb27976241 [1,0,1,0,0,0|2,0,0]=4 2806 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [1,0,1,0,0,0|1,0,0]=3 2807 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [1,0,1,0,0,0|0,1,0]=3 2808 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [1,0,1,0,0,0|1,1,0]=4 2809 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [1,0,1,0,0,0|1,1,0]=4 2810 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [1,0,1,0,0,0|1,1,0]=4 2811 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,0,1,0,0,0|0,0,2]=4 2812 B7R0.6 CC(C)\C=C\C(=O)O Amb8517064 [1,0,1,0,0,0|0,0,2]=4 2813 B7R0.6 CC(N)\C=C\C(=O)O Amb33804531 [1,0,1,0,0,0|1,0,1]=4 2814 B7R0.6 CN(C)\C=C\C(=O)O Amb25273624 [1,0,1,0,0,0|1,0,1]=4 2815 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [1,0,1,0,0,0|1,1,0]=4 2816 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [1,0,1,0,0,0|1,1,0]=4 2817 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,0,1,0,0,0|1,0,1]=4 2818 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [1,0,1,0,0,0|1,1,0]=4 2819 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [1,0,1,0,0,0|1,1,0]=4 2820 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [1,0,1,0,0,0|1,1,0]=4 2821 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [1,0,1,0,0,0|1,1,0]=4 2822 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [1,0,1,0,0,0|1,1,0]=4 2823 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [1,0,1,0,0,0|1,1,0]=4 2824 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [1,0,1,0,0,0|1,0,0]=3 2825 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [1,0,1,0,0,0|1,1,0]=4 2826 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [1,0,1,0,0,0|1,1,0]=4 2827 B7R0.15 C=CC(C=C)C(=O)O Amb27663214 [1,0,1,0,0,0|1,0,1]=4 2828 B7R0.15 C=C\C(=C/Cl)[PH](=O)O Amb27235387 [1,0,1,0,0,0|2,0,0]=4 2829 B7R0.15 C\C=C(/C#N)C(=O)O Amb27204254 [1,0,1,0,0,0|1,0,1]=4 2830 B7R0.15 C\C=C(/CBr)C(=O)O Amb18128301 [1,0,1,0,0,0|1,0,1]=4 2831 B7R0.15 C\C=C(/CC)C(=O)O Amb18641780 [1,0,1,0,0,0|1,0,1]=4 2832 B7R0.15 C\C=C(\CO)C(=O)O Amb25306747 [1,0,1,0,0,0|0,1,1]=4 2833 B7R0.2 C=C(C)\C=C(/C)C=O Amb27464033 [1,0,1,0,0,0|1,0,1]=4 2834 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [1,0,1,0,0,0|0,1,1]=4 2835 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [1,0,1,0,0,0|0,1,1]=4 2836 B7R1.1 BrC=C1C=CC=C1 Amb28118986 [2,0,0,0,0,0|2,0,0]=4 2837 B7R1.1 BrCc1ccsc1 Amb33528728 [2,0,0,0,0,0|1,0,1]=4 2838 B7R1.1 C#Cc1ccsc1 Amb10603690 [2,0,0,0,0,0|1,0,1]=4 2839 B7R1.1 C=Cc1ccoc1 Amb24056798 [2,0,0,0,0,0|1,1,0]=4 2840 B7R1.1 C=Cc1ccsc1 Amb22263008 [2,0,0,0,0,0|1,0,0]=3 2841 B7R1.1 CCc1ccsc1 Amb2687956 [2,0,0,0,0,0|1,0,1]=4 2842 B7R1.1 CNc1ccsc1 Amb20620164 [2,0,0,0,0,0|2,0,0]=4 2843 B7R1.1 CNc1ccsc1 Amb28827635 [2,0,0,0,0,0|2,0,0]=4 2844 B7R1.1 COc1ccsc1 Amb8517358 [2,0,0,0,0,0|2,0,0]=4 2845 B7R1.1 CSc1ccsc1 Amb2780309 [2,0,0,0,0,0|2,0,0]=4 2846 B7R1.1 C[Se]c1ccsc1 Amb17779305 [2,0,0,0,0,0|2,0,0]=4 2847 B7R1.1 ClCc1ccsc1 Amb33528072 [2,0,0,0,0,0|1,0,1]=4 2848 B7R1.1 I[Zn]c1ccsc1 Amb6300273 [2,0,0,0,0,0|2,0,0]=4 2849 B7R1.1 N#Cc1ccsc1 Amb2725780 [2,0,0,0,0,0|1,0,1]=4 2850 B7R1.1 NCc1ccsc1 Amb1140991 [2,0,0,0,0,0|1,0,1]=4 2851 B7R1.1 NCc1ccsc1 Amb6487448 [2,0,0,0,0,0|1,0,1]=4 2852 B7R1.1 N\C=C1\C=CN=C1 Amb28368683 [2,0,0,0,0,0|2,0,0]=4 2853 B7R1.1 O=CC1=CC=CC1 Amb25799627 [2,0,0,0,0,0|1,0,1]=4 2854 B7R1.1 O=CC1=CCSC1 Amb423472 [2,0,0,0,0,0|0,0,2]=4 2855 B7R1.1 O=CC1C=CC=C1 Amb27408563 [2,0,0,0,0,0|1,0,1]=4 2856 B7R1.1 O=C[c-]1cccc1 Amb22168256 [2,0,0,0,0,0|1,0,1]=4 2857 B7R1.1 O=C[c-]1cccc1 Amb33801815 [2,0,0,0,0,0|1,0,1]=4 2858 B7R1.1 O=Cc1ccco1 Amb2720358 [2,0,0,0,0,0|2,0,0]=4 2859 B7R1.1 O=Cc1cccs1 Amb2690601 [2,0,0,0,0,0|2,0,0]=4 2860 B7R1.1 O=Cc1ccno1 Amb33546951 [2,0,0,0,0,0|2,0,0]=4 2861 B7R1.1 O=Cc1ccns1 Amb8010934 [2,0,0,0,0,0|2,0,0]=4 2862 B7R1.1 O=Cc1ccoc1 Amb2720357 [2,0,0,0,0,0|0,1,0]=3 2863 B7R1.1 O=Cc1ccon1 Amb8009575 [2,0,0,0,0,0|1,1,0]=4 2864 B7R1.1 O=Cc1ccsc1 Amb2720343 [2,0,0,0,0,0|0,0,0]=2 2865 B7R1.1 O=Cc1ccsn1 Amb8010932 [2,0,0,0,0,0|1,0,0]=3 2866 B7R1.1 O=Cc1cnco1 Amb8010823 [2,0,0,0,0,0|2,0,0]=4 2867 B7R1.1 O=Cc1cncs1 Amb2455730 [2,0,0,0,0,0|2,0,0]=4 2868 B7R1.1 O=Cc1cnoc1 Amb8009355 [2,0,0,0,0,0|1,1,0]=4 2869 B7R1.1 O=Cc1cnsc1 Amb8010933 [2,0,0,0,0,0|1,0,0]=3 2870 B7R1.1 O=Cc1cnsn1 Amb18641770 [2,0,0,0,0,0|2,0,0]=4 2871 B7R1.1 O=Cc1cocn1 Amb8010935 [2,0,0,0,0,0|1,1,0]=4 2872 B7R1.1 O=Cc1cscn1 Amb2455729 [2,0,0,0,0,0|1,0,0]=3 2873 B7R1.1 O=Cc1csnn1 Amb2725899 [2,0,0,0,0,0|2,0,0]=4 2874 B7R1.1 O=Cc1ncsn1 Amb8010945 [2,0,0,0,0,0|2,0,0]=4 2875 B7R1.1 OCc1ccoc1 Amb837377 [2,0,0,0,0,0|0,1,1]=4 2876 B7R1.1 OCc1ccsc1 Amb837384 [2,0,0,0,0,0|0,0,1]=3 2877 B7R1.1 OCc1ccsn1 Amb22896461 [2,0,0,0,0,0|1,0,1]=4 2878 B7R1.1 OCc1cnsc1 Amb22757389 [2,0,0,0,0,0|1,0,1]=4 2879 B7R1.1 OCc1cscn1 Amb32652998 [2,0,0,0,0,0|1,0,1]=4 2880 B7R1.1 OCc1cscn1 Amb33531860 [2,0,0,0,0,0|1,0,1]=4 2881 B7R1.1 SCc1ccsc1 Amb28246879 [2,0,0,0,0,0|0,1,1]=4 2882 B7R1.1 [C-]#[N+]c1ccsc1 Amb33380765 [2,0,0,0,0,0|2,0,0]=4 2883 B7R1.2 Brc1cc(I)cs1 Amb27963171 [2,0,0,0,0,0|2,0,0]=4 2884 B7R1.2 Brc1csc(Br)c1 Amb2723434 [2,0,0,0,0,0|2,0,0]=4 2885 B7R1.2 Brc1csc(I)c1 Amb24320667 [2,0,0,0,0,0|2,0,0]=4 2886 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [2,0,0,0,0,0|1,0,1]=4 2887 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [2,0,0,0,0,0|1,0,1]=4 2888 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [2,0,0,0,0,0|0,1,1]=4 2889 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [2,0,0,0,0,0|2,0,0]=4 2890 B7R1.2 CC1=CC(=O)NN1 Amb19770794 [2,0,0,0,0,0|2,0,0]=4 2891 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [2,0,0,0,0,0|1,1,0]=4 2892 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [2,0,0,0,0,0|2,0,0]=4 2893 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [2,0,0,0,0,0|1,0,1]=4 2894 B7R1.2 Cc1cc(Br)co1 Amb18828030 [2,0,0,0,0,0|1,1,0]=4 2895 B7R1.2 Cc1cc(Br)cs1 Amb2685344 [2,0,0,0,0,0|1,0,0]=3 2896 B7R1.2 Cc1cc(C)sn1 Amb28399568 [2,0,0,0,0,0|1,0,1]=4 2897 B7R1.2 Cc1cc(Cl)cs1 Amb8388001 [2,0,0,0,0,0|1,0,0]=3 2898 B7R1.2 Cc1cc(Cl)ns1 Amb25888516 [2,0,0,0,0,0|2,0,0]=4 2899 B7R1.2 Cc1cc(F)cs1 Amb27170659 [2,0,0,0,0,0|1,0,0]=3 2900 B7R1.2 Cc1cc(I)cs1 Amb27144872 [2,0,0,0,0,0|1,0,0]=3 2901 B7R1.2 Cc1cc(N)cs1 Amb18833057 [2,0,0,0,0,0|1,0,0]=3 2902 B7R1.2 Cc1cc(N)cs1 Amb22276155 [2,0,0,0,0,0|1,0,0]=3 2903 B7R1.2 Cc1cc(N)ns1 Amb10576306 [2,0,0,0,0,0|2,0,0]=4 2904 B7R1.2 Cc1cc(N)ns1 Amb24480706 [2,0,0,0,0,0|2,0,0]=4 2905 B7R1.2 Cc1cc(O)cs1 Amb24523671 [2,0,0,0,0,0|0,0,0]=2 2906 B7R1.2 Cc1cc(O)no1 Amb2370655 [2,0,0,0,0,0|1,1,0]=4 2907 B7R1.2 Cc1cc(O)ns1 Amb2420511 [2,0,0,0,0,0|1,0,0]=3 2908 B7R1.2 Cc1cc(O)on1 Amb22337742 [2,0,0,0,0,0|2,0,0]=4 2909 B7R1.2 Cc1cc(O)on1 Amb4418352 [2,0,0,0,0,0|2,0,0]=4 2910 B7R1.2 Cc1cc(S)cs1 Amb28363926 [2,0,0,0,0,0|0,1,0]=3 2911 B7R1.2 Cc1ccc(O)o1 Amb26645726 [2,0,0,0,0,0|2,0,0]=4 2912 B7R1.2 Cc1ccc(O)s1 Amb17593190 [2,0,0,0,0,0|2,0,0]=4 2913 B7R1.2 Cc1csc(Br)c1 Amb10600630 [2,0,0,0,0,0|1,0,1]=4 2914 B7R1.2 Cc1csc(C)c1 Amb2447068 [2,0,0,0,0,0|0,0,1]=3 2915 B7R1.2 Cc1csc(C)n1 Amb1161817 [2,0,0,0,0,0|1,0,1]=4 2916 B7R1.2 Cc1csc(Cl)c1 Amb26641847 [2,0,0,0,0,0|1,0,1]=4 2917 B7R1.2 Cc1csc(I)c1 Amb22496053 [2,0,0,0,0,0|1,0,1]=4 2918 B7R1.2 Cc1csc(N)c1 Amb19958131 [2,0,0,0,0,0|1,0,1]=4 2919 B7R1.2 Cc1csc(N)c1 Amb2778988 [2,0,0,0,0,0|1,0,1]=4 2920 B7R1.2 Cc1csc(O)c1 Amb20617904 [2,0,0,0,0,0|1,0,1]=4 2921 B7R1.2 Cc1csc(S)c1 Amb26419420 [2,0,0,0,0,0|1,0,1]=4 2922 B7R1.2 Cc1nc(Br)cs1 Amb33544482 [2,0,0,0,0,0|2,0,0]=4 2923 B7R1.2 Cc1nc(F)cs1 Amb26888120 [2,0,0,0,0,0|2,0,0]=4 2924 B7R1.2 Cc1nc(I)cs1 Amb22753883 [2,0,0,0,0,0|2,0,0]=4 2925 B7R1.2 Cc1nc(N)cs1 Amb10600549 [2,0,0,0,0,0|2,0,0]=4 2926 B7R1.2 Cc1nc(O)cs1 Amb10600550 [2,0,0,0,0,0|1,0,0]=3 2927 B7R1.2 Cc1ncc(O)o1 Amb26530422 [2,0,0,0,0,0|2,0,0]=4 2928 B7R1.2 Cc1ncc(O)s1 Amb10599445 [2,0,0,0,0,0|2,0,0]=4 2929 B7R1.2 Clc1cc(Br)cs1 Amb10602627 [2,0,0,0,0,0|2,0,0]=4 2930 B7R1.2 Clc1csc(Br)c1 Amb26486652 [2,0,0,0,0,0|2,0,0]=4 2931 B7R1.2 Clc1csc(Cl)c1 Amb24056457 [2,0,0,0,0,0|2,0,0]=4 2932 B7R1.2 Cn1cc(O)cn1 Amb33549858 [2,0,0,0,0,0|2,0,0]=4 2933 B7R1.2 Cn1cc(O)cn1 Amb33552990 [2,0,0,0,0,0|2,0,0]=4 2934 B7R1.2 Fc1csc(Br)c1 Amb18193378 [2,0,0,0,0,0|2,0,0]=4 2935 B7R1.2 Fc1csc(F)c1 Amb24411512 [2,0,0,0,0,0|2,0,0]=4 2936 B7R1.2 Ic1csc(I)c1 Amb27814436 [2,0,0,0,0,0|2,0,0]=4 2937 B7R1.2 N=C1C=C(O)CS1 Amb27438020 [2,0,0,0,0,0|1,0,1]=4 2938 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [2,0,0,0,0,0|1,0,1]=4 2939 B7R1.2 Nc1cc(Br)cs1 Amb18564069 [2,0,0,0,0,0|2,0,0]=4 2940 B7R1.2 Nc1cc(Cl)cs1 Amb23401708 [2,0,0,0,0,0|2,0,0]=4 2941 B7R1.2 Nc1csc(Br)c1 Amb18648086 [2,0,0,0,0,0|2,0,0]=4 2942 B7R1.2 Nc1csc(Br)c1 Amb19929503 [2,0,0,0,0,0|2,0,0]=4 2943 B7R1.2 Nc1csc(Br)c1 Amb31308081 [2,0,0,0,0,0|2,0,0]=4 2944 B7R1.2 Nc1csc(Cl)c1 Amb22492848 [2,0,0,0,0,0|2,0,0]=4 2945 B7R1.2 Nc1csc(Cl)c1 Amb22757511 [2,0,0,0,0,0|2,0,0]=4 2946 B7R1.2 Nc1csc(I)c1 Amb25788262 [2,0,0,0,0,0|2,0,0]=4 2947 B7R1.2 Nc1nc(O)cs1 Amb5717502 [2,0,0,0,0,0|2,0,0]=4 2948 B7R1.2 OC1=CSC(=S)N1 Amb33827704 [2,0,0,0,0,0|2,0,0]=4 2949 B7R1.2 Oc1cc(Br)cs1 Amb18819059 [2,0,0,0,0,0|2,0,0]=4 2950 B7R1.2 Oc1cc(Cl)cs1 Amb25888402 [2,0,0,0,0,0|2,0,0]=4 2951 B7R1.2 Oc1cc(Cl)sn1 Amb21858019 [2,0,0,0,0,0|2,0,0]=4 2952 B7R1.2 Oc1csc(Br)c1 Amb33451893 [2,0,0,0,0,0|1,0,0]=3 2953 B7R1.2 Oc1csc(Br)n1 Amb18824582 [2,0,0,0,0,0|2,0,0]=4 2954 B7R1.2 Oc1csc(Cl)n1 Amb35710123 [2,0,0,0,0,0|2,0,0]=4 2955 B7R1.2 Oc1csc(O)n1 Amb10599939 [2,0,0,0,0,0|2,0,0]=4 2956 B7R1.2 Sc1cc(Br)cs1 Amb25962064 [2,0,0,0,0,0|2,0,0]=4 2957 B7R1.2 Sc1cc(Cl)cs1 Amb26645411 [2,0,0,0,0,0|2,0,0]=4 2958 B7R1.2 Sc1csc(Br)c1 Amb33433579 [2,0,0,0,0,0|1,1,0]=4 2959 B9R0.6 CCS\C(C)=C(/C)C(=O)O Amb28436848 [0,1,1,0,0,0|0,0,2]=4 2960 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,1,1,0,0,0|1,0,1]=4 2961 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,1,1,0,0,0|1,1,0]=4 2962 B9R0.7 CC(C)=C\C=C(/C)C(=O)O Amb27210759 [0,1,1,0,0,0|1,0,1]=4 2963 B9R0.7 CC(C)=C\C=C(/F)C(=O)O Amb28050050 [0,1,1,0,0,0|2,0,0]=4 2964 B9R0.8 C=C(CSCC)C(=O)OC Amb28050304 [0,1,1,0,0,0|0,0,2]=4 2965 B9R0.13 C=C\C(=C\CCC)C(=O)O Amb27778746 [0,1,1,0,0,0|1,0,1]=4 2966 B9R0.13 C\C=C\C=C(/C#N)C(=O)O Amb18643121 [0,1,1,0,0,0|1,0,1]=4 2967 B9R0.13 C\C=C\C=C(/CC)C(=O)O Amb18643598 [0,1,1,0,0,0|1,0,1]=4 2968 B9R0.13 C\C=C\C=C(\CC)C(=O)O Amb27419854 [0,1,1,0,0,0|1,0,1]=4 2969 B9R0.47 C=C(CSCCO)C(=O)O Amb27856969 [0,1,1,0,0,0|0,0,2]=4 2970 B9R0.47 C=C(\C=C\CCC)C(=O)O Amb33424829 [0,1,1,0,0,0|1,0,1]=4 2971 B9R0.47 CC\C=C\C=C(/C)C(=O)O Amb27191513 [0,1,1,0,0,0|1,0,1]=4 2972 B9R0.47 C\C(=C/C=C/CO)C(=O)O Amb27600926 [0,1,1,0,0,0|1,0,1]=4 2973 B9R0.43 C\C=C(/C=C/C(=O)O)CC Amb28315773 [0,1,1,0,0,0|1,0,1]=4 2974 B9R0.43 C\C=C(\C=C\C(=O)O)CC Amb18643591 [0,1,1,0,0,0|1,0,1]=4 2975 B9R0.48 C=CCN(C)\C=C\C(=O)O Amb27422117 [0,1,1,0,0,0|2,0,0]=4 2976 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [0,1,1,0,0,0|1,1,0]=4 2977 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [0,1,1,0,0,0|1,0,0]=3 2978 B9R0.48 CC(=O)\C=C\C(C)=C\C=O Amb27445134 [0,1,1,0,0,0|2,0,0]=4 2979 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [0,1,1,0,0,0|1,0,0]=3 2980 B9R0.48 C\C=C\C(C)\C=C/C(=O)O Amb27468642 [0,1,1,0,0,0|1,0,1]=4 2981 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [0,1,1,0,0,0|2,0,0]=4 2982 B9R0.48 O=CNC(=O)\C=C/C(=O)O Amb28313728 [0,1,1,0,0,0|2,0,0]=4 2983 B9R0.15 O=C\C=C(/CC=O)C(=O)O Amb27195275 [0,1,1,0,0,0|1,1,0]=4 2984 B9R0.29 COC(=O)\C(=C\O)C(=O)O Amb28364051 [0,1,1,0,0,0|1,1,0]=4 2985 B9R0.29 C\C=C(\C)C(=C=N)C(=O)O Amb27402759 [0,1,1,0,0,0|1,0,1]=4 2986 B9R0.39 C=C(C)\C=C(/CC)C(=O)O Amb28457972 [0,1,1,0,0,0|1,0,1]=4 2987 B9R0.39 CC(=O)N\C(=C\Br)C(=O)O Amb27451991 [0,1,1,0,0,0|2,0,0]=4 2988 B9R0.39 C\C=C(/OC(C)=O)C(=O)O Amb27759731 [0,1,1,0,0,0|2,0,0]=4 2989 B9R0.39 C\C=C(\NC(C)=O)C(=O)O Amb27781271 [0,1,1,0,0,0|2,0,0]=4 2990 B9R0.39 O=C\C(=C/C(=O)O)C(=O)O Amb18644051 [0,1,1,0,0,0|1,1,0]=4 2991 B9R0.1 C=C\C(C)=C\C=C\C(C)=O Amb28202360 [0,1,1,0,0,0|2,0,0]=4 2992 B9R0.1 CC(=O)\C=C\C=C(/C)C=O Amb10068394 [0,1,1,0,0,0|2,0,0]=4 2993 B9R0.1 CNC(=S)S\C=C/C(=O)O Amb28396514 [0,1,1,0,0,0|1,0,0]=3 2994 B9R0.1 COC(=O)\C=C/NC(C)=O Amb28067616 [0,1,1,0,0,0|2,0,0]=4 2995 B9R0.1 COC(=O)\C=C/SC(=N)N Amb27845315 [0,1,1,0,0,0|2,0,0]=4 2996 B9R0.1 COC(=O)\C=C\SC(C)C Amb27197412 [0,1,1,0,0,0|0,0,2]=4 2997 B9R0.1 C\C(=C\C=C\C(=O)O)CO Amb27975896 [0,1,1,0,0,0|1,0,1]=4 2998 B9R0.1 O=C(O)\C=C\NC(=O)CCl Amb27494076 [0,1,1,0,0,0|2,0,0]=4 2999 B9R0.1 O=C\C(Cl)=C\C=C\C(=O)O Amb28458190 [0,1,1,0,0,0|2,0,0]=4 3000 B9R0.53 CC(C)=C\C(C)=C\C(=O)O Amb27422044 [0,1,1,0,0,0|1,0,1]=4 3001 B9R0.53 C\C(=C/C(=O)O)SC(=N)N Amb27816163 [0,1,1,0,0,0|2,0,0]=4 3002 B9R1.7 C=CCc1csc(C)c1 Amb27813689 [1,1,0,0,0,0|1,0,0]=3 3003 B9R1.7 CC1=C\C(=C\C=O)CC1 Amb27792975 [1,1,0,0,0,0|1,0,1]=4 3004 B9R1.7 COCc1csc(C)n1 Amb2422078 [1,1,0,0,0,0|1,0,1]=4 3005 B9R1.7 Cc1cc(CC=O)no1 Amb26576964 [1,1,0,0,0,0|1,1,0]=4 3006 B9R1.7 Cc1cc(CC=O)on1 Amb33326733 [1,1,0,0,0,0|2,0,0]=4 3007 B9R1.7 Cc1cc(CCN)cs1 Amb18202672 [1,1,0,0,0,0|1,0,1]=4 3008 B9R1.7 Cc1cc(CCO)co1 Amb25058458 [1,1,0,0,0,0|0,1,1]=4 3009 B9R1.7 Cc1cc(CCO)cs1 Amb24672867 [1,1,0,0,0,0|0,0,1]=3 3010 B9R1.7 Cc1cc(CON)cs1 Amb27605612 [1,1,0,0,0,0|0,0,1]=3 3011 B9R1.7 Cc1cc(N=C=O)co1 Amb27472527 [1,1,0,0,0,0|0,1,1]=4 3012 B9R1.7 Cc1cc(N=C=O)cs1 Amb27854367 [1,1,0,0,0,0|0,0,1]=3 3013 B9R1.7 Cc1cc(N=C=S)cs1 Amb27634297 [1,1,0,0,0,0|0,1,1]=4 3014 B9R1.7 Cc1cc(NC=O)no1 Amb3319175 [1,1,0,0,0,0|1,1,0]=4 3015 B9R1.7 Cc1cc(\C=N\O)cs1 Amb27409979 [1,1,0,0,0,0|0,0,0]=2 3016 B9R1.7 Cc1cc(\C=N\O)on1 Amb27462663 [1,1,0,0,0,0|2,0,0]=4 3017 B9R1.7 Cc1cc(\C=N\O)sn1 Amb35717200 [1,1,0,0,0,0|2,0,0]=4 3018 B9R1.7 Cc1ccc(CC=O)o1 Amb26584704 [1,1,0,0,0,0|2,0,0]=4 3019 B9R1.7 Cc1ccc(CC=O)s1 Amb24679545 [1,1,0,0,0,0|2,0,0]=4 3020 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [1,1,0,0,0,0|2,0,0]=4 3021 B9R1.7 Cc1ccc(\C=N\O)o1 Amb6384039 [1,1,0,0,0,0|2,0,0]=4 3022 B9R1.7 Cc1ccc(\C=N\O)s1 Amb2611525 [1,1,0,0,0,0|2,0,0]=4 3023 B9R1.7 Cc1coc(\C=N\O)c1 Amb27945602 [1,1,0,0,0,0|2,0,0]=4 3024 B9R1.7 Cc1csc(CC=O)c1 Amb33427149 [1,1,0,0,0,0|2,0,0]=4 3025 B9R1.7 Cc1csc(\C=N\O)c1 Amb27633459 [1,1,0,0,0,0|2,0,0]=4 3026 B9R1.7 Cc1nc(CC=O)cs1 Amb24099724 [1,1,0,0,0,0|1,0,0]=3 3027 B9R1.7 Cc1nc(CCO)cs1 Amb33544498 [1,1,0,0,0,0|1,0,1]=4 3028 B9R1.7 Cc1nc(CNO)cs1 Amb26478334 [1,1,0,0,0,0|1,0,1]=4 3029 B9R1.7 Cc1nc(CON)cs1 Amb24103233 [1,1,0,0,0,0|1,0,1]=4 3030 B9R1.7 Cc1nc(\C=C\Br)cs1 Amb33134945 [1,1,0,0,0,0|2,0,0]=4 3031 B9R1.7 Cc1ncc(CC=O)s1 Amb26493165 [1,1,0,0,0,0|2,0,0]=4 3032 B9R1.7 Cn1cc(NC=O)cn1 Amb28057402 [1,1,0,0,0,0|2,0,0]=4 3033 B9R1.7 Cn1cc(\C=N/O)cn1 Amb20618894 [1,1,0,0,0,0|2,0,0]=4 3034 B9R1.7 Cn1cc(\C=N\O)cn1 Amb1935235 [1,1,0,0,0,0|2,0,0]=4 3035 B9R1.7 Cn1ccc(NC=O)c1 Amb25887977 [1,1,0,0,0,0|2,0,0]=4 3036 B9R1.7 Cn1ccc(\C=N\O)c1 Amb28137347 [1,1,0,0,0,0|2,0,0]=4 3037 B9R1.7 NOCc1csc(Br)c1 Amb33007505 [1,1,0,0,0,0|1,0,1]=4 3038 B9R1.7 Nc1nc(\C=N\O)cs1 Amb28241626 [1,1,0,0,0,0|2,0,0]=4 3039 B9R1.7 O=C=Nc1csc(Br)c1 Amb25888797 [1,1,0,0,0,0|1,0,1]=4 3040 B9R1.7 O=C=Nc1csc(Cl)c1 Amb28123131 [1,1,0,0,0,0|1,0,1]=4 3041 B9R1.7 O=C=Nc1csc(I)c1 Amb27476542 [1,1,0,0,0,0|1,0,1]=4 3042 B9R1.7 O=CCc1csc(Br)c1 Amb24596953 [1,1,0,0,0,0|1,0,0]=3 3043 B9R1.7 O=CCc1csc(Br)n1 Amb25032295 [1,1,0,0,0,0|2,0,0]=4 3044 B9R1.7 O=CCc1csc(Cl)n1 Amb27463344 [1,1,0,0,0,0|2,0,0]=4 3045 B9R1.7 O=CCc1csc(I)n1 Amb27258961 [1,1,0,0,0,0|2,0,0]=4 3046 B9R1.7 OCCc1csc(Br)c1 Amb26549826 [1,1,0,0,0,0|1,0,1]=4 3047 B9R1.7 OCCc1csc(Cl)c1 Amb26925413 [1,1,0,0,0,0|1,0,1]=4 3048 B9R1.7 ONCc1csc(Br)c1 Amb26515843 [1,1,0,0,0,0|1,0,1]=4 3049 B9R1.7 O\N=C\C1=CSC(=S)N1 Amb27879533 [1,1,0,0,0,0|2,0,0]=4 3050 B9R1.7 O\N=C\c1csc(Br)c1 Amb25363650 [1,1,0,0,0,0|1,0,0]=3 3051 B9R1.7 O\N=C\c1csc(Cl)c1 Amb27971131 [1,1,0,0,0,0|1,0,0]=3 3052 B9R1.21 C#Cc1csc(CN)c1 Amb28366875 [1,1,0,0,0,0|1,0,1]=4 3053 B9R1.21 C=Cc1cc(C=O)cs1 Amb25830217 [1,1,0,0,0,0|0,0,1]=3 3054 B9R1.21 C=Cc1csc(C=O)c1 Amb28129936 [1,1,0,0,0,0|1,0,1]=4 3055 B9R1.21 C=Cc1csc(CN)c1 Amb28187737 [1,1,0,0,0,0|1,0,0]=3 3056 B9R1.21 CCc1cc(C=O)no1 Amb18832855 [1,1,0,0,0,0|1,1,0]=4 3057 B9R1.21 CCc1cc(C=O)on1 Amb10608410 [1,1,0,0,0,0|2,0,0]=4 3058 B9R1.21 CCc1cc(CN)cs1 Amb18908358 [1,1,0,0,0,0|1,0,1]=4 3059 B9R1.21 CCc1cc(CO)co1 Amb28399121 [1,1,0,0,0,0|0,1,1]=4 3060 B9R1.21 CCc1cc(CO)cs1 Amb17093897 [1,1,0,0,0,0|0,0,1]=3 3061 B9R1.21 CCc1ccc(C=O)o1 Amb844097 [1,1,0,0,0,0|2,0,0]=4 3062 B9R1.21 CCc1ccc(C=O)s1 Amb2722496 [1,1,0,0,0,0|2,0,0]=4 3063 B9R1.21 CCc1coc(C=O)c1 Amb18673932 [1,1,0,0,0,0|2,0,0]=4 3064 B9R1.21 CCc1csc(OC)c1 Amb27838632 [1,1,0,0,0,0|1,0,1]=4 3065 B9R1.21 CCc1nc(C=O)co1 Amb25679095 [1,1,0,0,0,0|1,1,0]=4 3066 B9R1.21 CCc1nc(C=O)cs1 Amb2592283 [1,1,0,0,0,0|1,0,0]=3 3067 B9R1.21 CCc1nc(CO)cs1 Amb22587132 [1,1,0,0,0,0|1,0,1]=4 3068 B9R1.21 CCc1nc(CO)cs1 Amb33527360 [1,1,0,0,0,0|1,0,1]=4 3069 B9R1.21 CCc1ncc(C=O)o1 Amb17399800 [1,1,0,0,0,0|2,0,0]=4 3070 B9R1.21 CCc1ncc(C=O)s1 Amb19514527 [1,1,0,0,0,0|2,0,0]=4 3071 B9R1.21 CCn1cc(C=O)cn1 Amb1099122 [1,1,0,0,0,0|2,0,0]=4 3072 B9R1.21 CCn1ccc(C=O)c1 Amb24417132 [1,1,0,0,0,0|2,0,0]=4 3073 B9R1.21 CNc1nc(CO)cs1 Amb26555528 [1,1,0,0,0,0|1,0,1]=4 3074 B9R1.21 CNc1ncc(C=O)s1 Amb28197038 [1,1,0,0,0,0|2,0,0]=4 3075 B9R1.21 COc1cc(C=O)cs1 Amb18643873 [1,1,0,0,0,0|0,0,0]=2 3076 B9R1.21 COc1cc(C=O)on1 Amb24331446 [1,1,0,0,0,0|2,0,0]=4 3077 B9R1.21 COc1cc(C=O)sn1 Amb26845461 [1,1,0,0,0,0|2,0,0]=4 3078 B9R1.21 COc1cc(CO)cs1 Amb27800819 [1,1,0,0,0,0|0,0,1]=3 3079 B9R1.21 COc1ccc(C=O)o1 Amb18832781 [1,1,0,0,0,0|2,0,0]=4 3080 B9R1.21 COc1ccc(C=O)s1 Amb17593592 [1,1,0,0,0,0|2,0,0]=4 3081 B9R1.21 COc1coc(C=O)c1 Amb18832782 [1,1,0,0,0,0|2,0,0]=4 3082 B9R1.21 COc1csc(C=O)c1 Amb18202589 [1,1,0,0,0,0|2,0,0]=4 3083 B9R1.21 COc1csc(CCl)c1 Amb27762830 [1,1,0,0,0,0|2,0,0]=4 3084 B9R1.21 COc1csc(CN)c1 Amb23450213 [1,1,0,0,0,0|2,0,0]=4 3085 B9R1.21 COc1csc(CO)c1 Amb23450202 [1,1,0,0,0,0|2,0,0]=4 3086 B9R1.21 COc1nc(C=O)cs1 Amb24099740 [1,1,0,0,0,0|1,0,0]=3 3087 B9R1.21 COc1ncc(C=O)s1 Amb2592075 [1,1,0,0,0,0|2,0,0]=4 3088 B9R1.21 CSc1cc(C=O)cs1 Amb18680675 [1,1,0,0,0,0|0,0,0]=2 3089 B9R1.21 CSc1ccc(C=O)o1 Amb18643872 [1,1,0,0,0,0|2,0,0]=4 3090 B9R1.21 CSc1ccc(C=O)s1 Amb2725774 [1,1,0,0,0,0|2,0,0]=4 3091 B9R1.21 CSc1csc(C=O)c1 Amb27947693 [1,1,0,0,0,0|2,0,0]=4 3092 B9R1.21 CSc1nc(CO)cs1 Amb27966117 [1,1,0,0,0,0|1,0,1]=4 3093 B9R1.21 N#Cc1cc(C=O)co1 Amb18833001 [1,1,0,0,0,0|0,1,1]=4 3094 B9R1.21 N#Cc1cc(C=O)cs1 Amb18124490 [1,1,0,0,0,0|0,0,1]=3 3095 B9R1.21 N#Cc1cc(CO)cs1 Amb25265950 [1,1,0,0,0,0|0,0,2]=4 3096 B9R1.21 N#Cc1csc(CBr)c1 Amb24629118 [1,1,0,0,0,0|1,0,1]=4 3097 B9R1.21 N#Cc1csc(CCl)c1 Amb18644976 [1,1,0,0,0,0|1,0,1]=4 3098 B9R1.21 N#Cc1csc(CN)c1 Amb20241199 [1,1,0,0,0,0|1,0,1]=4 3099 B9R1.21 N#Cc1csc(CO)c1 Amb18643426 [1,1,0,0,0,0|1,0,1]=4 3100 B9R1.21 N#Cc1csc(CS)c1 Amb32788831 [1,1,0,0,0,0|1,0,1]=4 3101 B9R1.21 N#Cc1nc(C=O)cs1 Amb27601254 [1,1,0,0,0,0|1,0,1]=4 3102 B9R1.21 NCc1cc(CO)cs1 Amb18202473 [1,1,0,0,0,0|0,0,1]=3 3103 B9R1.21 NCc1csc(C=O)c1 Amb35733325 [1,1,0,0,0,0|2,0,0]=4 3104 B9R1.21 NCc1csc(CO)c1 Amb18202474 [1,1,0,0,0,0|1,0,1]=4 3105 B9R1.21 NCc1nc(CO)cs1 Amb18908383 [1,1,0,0,0,0|1,0,1]=4 3106 B9R1.21 NCc1nc(CO)cs1 Amb24271112 [1,1,0,0,0,0|1,0,1]=4 3107 B9R1.21 O=CC1=CC=C(CO)C1 Amb28342387 [1,1,0,0,0,0|1,0,1]=4 3108 B9R1.21 O=Cc1cc(CCl)cs1 Amb1102126 [1,1,0,0,0,0|2,0,0]=4 3109 B9R1.21 O=Cc1cc(CO)cs1 Amb27658843 [1,1,0,0,0,0|0,0,2]=4 3110 B9R1.21 O=Cc1ccc(CCl)o1 Amb6888398 [1,1,0,0,0,0|2,0,0]=4 3111 B9R1.21 O=Cc1ccc(CO)o1 Amb2715062 [1,1,0,0,0,0|2,0,0]=4 3112 B9R1.21 O=Cc1ccc(CO)s1 Amb18643874 [1,1,0,0,0,0|2,0,0]=4 3113 B9R1.21 O=Cc1cnc(CF)s1 Amb28435326 [1,1,0,0,0,0|2,0,0]=4 3114 B9R1.21 O=Cc1coc(C=O)c1 Amb22170483 [1,1,0,0,0,0|0,1,1]=4 3115 B9R1.21 O=Cc1csc(C=O)c1 Amb1102128 [1,1,0,0,0,0|0,0,1]=3 3116 B9R1.21 O=Cc1csc(CBr)n1 Amb27643335 [1,1,0,0,0,0|1,0,0]=3 3117 B9R1.21 O=Cc1csc(CO)n1 Amb8011549 [1,1,0,0,0,0|1,0,0]=3 3118 B9R1.21 OCc1coc(CO)c1 Amb20248338 [1,1,0,0,0,0|0,1,1]=4 3119 B9R1.21 OCc1csc(CO)n1 Amb25074137 [1,1,0,0,0,0|1,0,1]=4 3120 B9R1.21 OCc1csc(CS)n1 Amb32788381 [1,1,0,0,0,0|1,0,1]=4 3121 B9R1.22 C#Cc1cc(C)sc1C Amb24481769 [1,1,0,0,0,0|1,0,1]=4 3122 B9R1.22 C=Cc1cc(C)oc1C Amb26653317 [1,1,0,0,0,0|1,1,0]=4 3123 B9R1.22 C=Cc1cc(C)sc1C Amb25353355 [1,1,0,0,0,0|1,0,0]=3 3124 B9R1.22 CC1=N\C(=C/O)C(=O)O1 Amb28133825 [1,1,0,0,0,0|1,1,0]=4 3125 B9R1.22 CCc1cc(C)sc1Cl Amb27837609 [1,1,0,0,0,0|1,0,1]=4 3126 B9R1.22 Cc1cc(Br)c(C=O)o1 Amb18190707 [1,1,0,0,0,0|2,0,0]=4 3127 B9R1.22 Cc1cc(Br)c(C=O)s1 Amb2611507 [1,1,0,0,0,0|2,0,0]=4 3128 B9R1.22 Cc1cc(C#N)c(C)s1 Amb23590635 [1,1,0,0,0,0|1,0,1]=4 3129 B9R1.22 Cc1cc(C#N)c(N)s1 Amb33545805 [1,1,0,0,0,0|1,0,1]=4 3130 B9R1.22 Cc1cc(C=N)c(S)o1 Amb2224543 [1,1,0,0,0,0|1,1,0]=4 3131 B9R1.22 Cc1cc(C=O)c(Br)s1 Amb33727248 [1,1,0,0,0,0|0,0,0]=2 3132 B9R1.22 Cc1cc(C=O)c(C)o1 Amb3680124 [1,1,0,0,0,0|0,1,0]=3 3133 B9R1.22 Cc1cc(C=O)c(C)s1 Amb2721760 [1,1,0,0,0,0|0,0,0]=2 3134 B9R1.22 Cc1cc(C=O)c(F)o1 Amb18832649 [1,1,0,0,0,0|0,1,0]=3 3135 B9R1.22 Cc1cc(C=O)c(F)s1 Amb18831510 [1,1,0,0,0,0|0,0,0]=2 3136 B9R1.22 Cc1cc(C=O)c(N)o1 Amb18832838 [1,1,0,0,0,0|0,1,0]=3 3137 B9R1.22 Cc1cc(C=O)c(N)s1 Amb18831709 [1,1,0,0,0,0|0,0,0]=2 3138 B9R1.22 Cc1cc(C=O)n(C)n1 Amb1945989 [1,1,0,0,0,0|2,0,0]=4 3139 B9R1.22 Cc1cc(CBr)c(C)s1 Amb25096019 [1,1,0,0,0,0|1,0,1]=4 3140 B9R1.22 Cc1cc(CCl)c(C)s1 Amb7777310 [1,1,0,0,0,0|1,0,1]=4 3141 B9R1.22 Cc1cc(CN)c(Br)s1 Amb18176528 [1,1,0,0,0,0|1,0,1]=4 3142 B9R1.22 Cc1cc(CN)c(C)s1 Amb16187126 [1,1,0,0,0,0|1,0,1]=4 3143 B9R1.22 Cc1cc(CN)c(Cl)s1 Amb27832968 [1,1,0,0,0,0|1,0,1]=4 3144 B9R1.22 Cc1cc(CO)c(Br)o1 Amb27428221 [1,1,0,0,0,0|0,1,1]=4 3145 B9R1.22 Cc1cc(CO)c(C)o1 Amb9004306 [1,1,0,0,0,0|0,1,1]=4 3146 B9R1.22 Cc1cc(CO)c(C)s1 Amb8846380 [1,1,0,0,0,0|0,0,1]=3 3147 B9R1.22 Cc1cc(CS)c(C)s1 Amb32788743 [1,1,0,0,0,0|0,1,1]=4 3148 B9R1.22 Cc1cc(Cl)c(C=O)o1 Amb18202379 [1,1,0,0,0,0|2,0,0]=4 3149 B9R1.22 Cc1cc(Cl)c(C=O)s1 Amb18199727 [1,1,0,0,0,0|2,0,0]=4 3150 B9R1.22 Cc1cc(F)c(C=O)s1 Amb18831511 [1,1,0,0,0,0|2,0,0]=4 3151 B9R1.22 Cc1cc(N)c(C=O)o1 Amb18832843 [1,1,0,0,0,0|2,0,0]=4 3152 B9R1.22 Cc1cc(N)c(C=O)s1 Amb18831708 [1,1,0,0,0,0|2,0,0]=4 3153 B9R1.22 Cc1nc(C)c(C=O)o1 Amb18832860 [1,1,0,0,0,0|2,0,0]=4 3154 B9R1.22 Cc1nc(C)c(C=O)s1 Amb2723087 [1,1,0,0,0,0|2,0,0]=4 3155 B9R1.22 Cc1nc(C=O)c(Br)s1 Amb2675443 [1,1,0,0,0,0|1,0,0]=3 3156 B9R1.22 Cc1nc(C=O)c(C)o1 Amb2700362 [1,1,0,0,0,0|1,1,0]=4 3157 B9R1.22 Cc1nc(C=O)c(C)s1 Amb8010556 [1,1,0,0,0,0|1,0,0]=3 3158 B9R1.22 Cc1nc(CO)c(Br)s1 Amb24481932 [1,1,0,0,0,0|1,0,1]=4 3159 B9R1.22 Cc1nc(CO)c(C)s1 Amb23438059 [1,1,0,0,0,0|1,0,1]=4 3160 B9R1.22 Cc1nn(C)cc1C=O Amb1908657 [1,1,0,0,0,0|2,0,0]=4 3161 B9R1.22 Cc1oc(Br)cc1C=O Amb18187311 [1,1,0,0,0,0|1,1,0]=4 3162 B9R1.22 Cc1oc(N)cc1C=O Amb18832842 [1,1,0,0,0,0|1,1,0]=4 3163 B9R1.22 Cc1sc(Br)cc1C=O Amb18783661 [1,1,0,0,0,0|1,0,0]=3 3164 B9R1.22 Cc1sc(Br)cc1CO Amb28255674 [1,1,0,0,0,0|1,0,1]=4 3165 B9R1.22 Cc1sc(Br)nc1C=O Amb22500770 [1,1,0,0,0,0|2,0,0]=4 3166 B9R1.22 Cc1sc(Cl)cc1C=O Amb33483161 [1,1,0,0,0,0|1,0,0]=3 3167 B9R1.22 Cc1sc(Cl)nc1C=O Amb22500741 [1,1,0,0,0,0|2,0,0]=4 3168 B9R1.22 Cc1sc(F)cc1C=O Amb18202410 [1,1,0,0,0,0|1,0,0]=3 3169 B9R1.22 Cc1sc(N)cc1C=O Amb18831710 [1,1,0,0,0,0|1,0,0]=3 3170 B9R1.22 Cc1sc(N)nc1C=O Amb22500859 [1,1,0,0,0,0|2,0,0]=4 3171 B9R1.22 Cn1cc(C=O)c(Br)n1 Amb18190476 [1,1,0,0,0,0|2,0,0]=4 3172 B9R1.22 Cn1cc(C=O)c(Cl)n1 Amb18831478 [1,1,0,0,0,0|2,0,0]=4 3173 B9R1.22 Cn1cc(C=O)c(F)n1 Amb23513621 [1,1,0,0,0,0|2,0,0]=4 3174 B9R1.22 Cn1cc(C=O)c(I)n1 Amb31208184 [1,1,0,0,0,0|2,0,0]=4 3175 B9R1.22 Cn1cc(C=O)c(N)n1 Amb2725032 [1,1,0,0,0,0|2,0,0]=4 3176 B9R1.22 Cn1cc(C=O)c(O)n1 Amb26849972 [1,1,0,0,0,0|2,0,0]=4 3177 B9R1.22 Cn1cc(Cl)c(C=O)c1 Amb18202416 [1,1,0,0,0,0|2,0,0]=4 3178 B9R1.22 Nc1nc(C=O)c(Cl)s1 Amb24113535 [1,1,0,0,0,0|2,0,0]=4 3179 B9R1.22 Nc1sc(Br)cc1C=O Amb27945983 [1,1,0,0,0,0|1,0,0]=3 3180 B9R1.22 Nc1sc(I)cc1C=O Amb28061596 [1,1,0,0,0,0|1,0,0]=3 3181 B9R1.22 O=Cc1cc(Br)sc1Br Amb21520284 [1,1,0,0,0,0|1,0,0]=3 3182 B9R1.22 O=Cc1cc(Br)sc1Cl Amb18134784 [1,1,0,0,0,0|1,0,0]=3 3183 B9R1.22 O=Cc1cc(Cl)oc1Cl Amb27433156 [1,1,0,0,0,0|1,1,0]=4 3184 B9R1.22 O=Cc1cc(Cl)sc1Cl Amb3429693 [1,1,0,0,0,0|1,0,0]=3 3185 B9R1.22 O=Cc1nc(Br)sc1Br Amb27195579 [1,1,0,0,0,0|2,0,0]=4 3186 B9R1.22 O=Cc1nc(Br)sc1Cl Amb33738133 [1,1,0,0,0,0|2,0,0]=4 3187 B9R1.22 O=Cc1nc(Cl)sc1Cl Amb22495270 [1,1,0,0,0,0|2,0,0]=4 3188 B9R1.22 OCc1cc(Br)sc1Br Amb22498112 [1,1,0,0,0,0|1,0,1]=4 3189 B9R1.22 OCc1cc(Cl)sc1Br Amb26619630 [1,1,0,0,0,0|1,0,1]=4 3190 B9R1.22 OCc1cc(Cl)sc1Cl Amb25742638 [1,1,0,0,0,0|1,0,1]=4 3191 B9R1.22 [C-]#[N+]c1cc(C)sc1C Amb33474595 [1,1,0,0,0,0|2,0,0]=4 3192 B9R1.23 Cc1cc(C=O)cn1C Amb18832958 [1,1,0,0,0,0|1,0,0]=3 3193 B9R1.23 Cc1cc(C=O)nn1C Amb1946178 [1,1,0,0,0,0|2,0,0]=4 3194 B9R1.23 Cc1cc(C=O)oc1Br Amb18187323 [1,1,0,0,0,0|2,0,0]=4 3195 B9R1.23 Cc1cc(C=O)oc1C Amb2722737 [1,1,0,0,0,0|2,0,0]=4 3196 B9R1.23 Cc1cc(C=O)oc1N Amb18832858 [1,1,0,0,0,0|2,0,0]=4 3197 B9R1.23 Cc1cc(C=O)sc1Br Amb2447432 [1,1,0,0,0,0|2,0,0]=4 3198 B9R1.23 Cc1cc(C=O)sc1C Amb2720393 [1,1,0,0,0,0|2,0,0]=4 3199 B9R1.23 Cc1cc(C=O)sc1Cl Amb26872662 [1,1,0,0,0,0|2,0,0]=4 3200 B9R1.23 Cc1cc(C=O)sc1N Amb18831705 [1,1,0,0,0,0|2,0,0]=4 3201 B9R1.23 Cc1nc(C=O)cn1C Amb18832918 [1,1,0,0,0,0|2,0,0]=4 3202 B9R1.23 Cc1oc(C=O)cc1Br Amb18129294 [1,1,0,0,0,0|2,0,0]=4 3203 B9R1.23 Cc1oc(C=O)cc1F Amb18832650 [1,1,0,0,0,0|2,0,0]=4 3204 B9R1.23 Cc1oc(C=O)cc1N Amb18832845 [1,1,0,0,0,0|2,0,0]=4 3205 B9R1.23 Cc1sc(C=O)cc1Br Amb4420510 [1,1,0,0,0,0|2,0,0]=4 3206 B9R1.23 Cc1sc(C=O)cc1Cl Amb27631795 [1,1,0,0,0,0|2,0,0]=4 3207 B9R1.23 Cc1sc(C=O)cc1F Amb18831512 [1,1,0,0,0,0|2,0,0]=4 3208 B9R1.23 Cc1sc(C=O)cc1N Amb18831711 [1,1,0,0,0,0|2,0,0]=4 3209 B9R1.132 CC1=C(C=O)SSC1=O Amb27592986 [1,1,0,0,0,0|2,0,0]=4 3210 B9R1.132 Cc1c(C=O)ccn1C Amb23100946 [1,1,0,0,0,0|2,0,0]=4 3211 B9R1.132 Cc1c(C=O)cnn1C Amb1908658 [1,1,0,0,0,0|2,0,0]=4 3212 B9R1.132 Cc1c(C=O)coc1Br Amb18681280 [1,1,0,0,0,0|1,1,0]=4 3213 B9R1.132 Cc1c(C=O)csc1Br Amb18681346 [1,1,0,0,0,0|1,0,0]=3 3214 B9R1.132 Cc1c(C=O)csc1N Amb18146232 [1,1,0,0,0,0|1,0,0]=3 3215 B9R1.132 Cc1ccc(C=O)n1C Amb857675 [1,1,0,0,0,0|2,0,0]=4 3216 B9R1.132 Cc1ccn(C=O)c1C Amb24648826 [1,1,0,0,0,0|2,0,0]=4 3217 B9R1.132 Cc1coc(C=O)c1Br Amb18187328 [1,1,0,0,0,0|2,0,0]=4 3218 B9R1.132 Cc1coc(C=O)c1C Amb28130434 [1,1,0,0,0,0|2,0,0]=4 3219 B9R1.132 Cc1csc(C=O)c1Br Amb18129700 [1,1,0,0,0,0|2,0,0]=4 3220 B9R1.132 Cc1csc(C=O)c1Cl Amb22886669 [1,1,0,0,0,0|2,0,0]=4 3221 B9R1.132 Cc1ncc(C=O)n1C Amb2723384 [1,1,0,0,0,0|2,0,0]=4 3222 B9R1.132 Cc1noc(C=O)c1I Amb26394504 [1,1,0,0,0,0|2,0,0]=4 3223 B9R1.132 Cc1nsc(C=O)c1Br Amb25889466 [1,1,0,0,0,0|2,0,0]=4 3224 B9R1.132 Cc1occ(C=O)c1F Amb18832651 [1,1,0,0,0,0|0,1,0]=3 3225 B9R1.132 Cc1onc(C=O)c1C Amb18832863 [1,1,0,0,0,0|1,1,0]=4 3226 B9R1.132 Cc1scc(C#N)c1N Amb18202990 [1,1,0,0,0,0|1,0,1]=4 3227 B9R1.132 Cc1scc(C=O)c1C Amb18643621 [1,1,0,0,0,0|0,0,0]=2 3228 B9R1.132 Cc1scc(C=O)c1F Amb18831513 [1,1,0,0,0,0|0,0,0]=2 3229 B9R1.132 Cc1scc(CN)c1C Amb17093932 [1,1,0,0,0,0|1,0,1]=4 3230 B9R1.132 Cc1scc(CO)c1C Amb6753829 [1,1,0,0,0,0|0,0,1]=3 3231 B9R1.132 Cc1snc(C=O)c1C Amb18202719 [1,1,0,0,0,0|1,0,0]=3 3232 B9R1.132 Cn1ccc(C=O)c1Cl Amb18831521 [1,1,0,0,0,0|2,0,0]=4 3233 B9R1.132 Cn1ncc(C=O)c1Br Amb23455178 [1,1,0,0,0,0|2,0,0]=4 3234 B9R1.132 Cn1ncc(C=O)c1Cl Amb18831479 [1,1,0,0,0,0|2,0,0]=4 3235 B9R1.132 Cn1ncc(C=O)c1F Amb31209923 [1,1,0,0,0,0|2,0,0]=4 3236 B9R1.132 Cn1ncc(C=O)c1I Amb27603299 [1,1,0,0,0,0|2,0,0]=4 3237 B9R1.132 Cn1ncc(C=O)c1N Amb2725031 [1,1,0,0,0,0|2,0,0]=4 3238 B9R1.132 O=CC1=C(Cl)C(=O)SS1 Amb27625707 [1,1,0,0,0,0|2,0,0]=4 3239 B9R1.132 O=CC1=C(Cl)C(=S)SS1 Amb27412483 [1,1,0,0,0,0|2,0,0]=4 3240 B9R1.132 O=Cc1csc(Br)c1Br Amb33549076 [1,1,0,0,0,0|1,0,0]=3 3241 B9R1.132 O=Cc1csc(Cl)c1Cl Amb2611393 [1,1,0,0,0,0|1,0,0]=3 3242 B9R1.132 O=Cc1nsc(Cl)c1Cl Amb28321948 [1,1,0,0,0,0|2,0,0]=4 3243 B9R1.11 C#CC(=O)c1ccoc1 Amb27866790 [1,1,0,0,0,0|1,1,0]=4 3244 B9R1.11 C#CC(=O)c1ccsc1 Amb26510559 [1,1,0,0,0,0|1,0,0]=3 3245 B9R1.11 C#CC(O)c1ccsc1 Amb25862389 [1,1,0,0,0,0|1,0,1]=4 3246 B9R1.11 C#C[C@H](O)c1ccsc1 Amb27457827 [1,1,0,0,0,0|1,0,1]=4 3247 B9R1.11 C=C(CBr)c1ccsc1 Amb33451471 [1,1,0,0,0,0|2,0,0]=4 3248 B9R1.11 C=C(CCl)c1ccsc1 Amb26426307 [1,1,0,0,0,0|2,0,0]=4 3249 B9R1.11 C=C(CN)c1ccsc1 Amb27462789 [1,1,0,0,0,0|2,0,0]=4 3250 B9R1.11 C=C(CO)c1ccoc1 Amb8392419 [1,1,0,0,0,0|1,1,0]=4 3251 B9R1.11 C=CC(=O)c1ccoc1 Amb27227609 [1,1,0,0,0,0|1,1,0]=4 3252 B9R1.11 C=CC(=O)c1ccsc1 Amb24478667 [1,1,0,0,0,0|1,0,0]=3 3253 B9R1.11 C=CC(=O)c1cnsc1 Amb35716778 [1,1,0,0,0,0|2,0,0]=4 3254 B9R1.11 C=CC(=O)c1cscn1 Amb25888952 [1,1,0,0,0,0|2,0,0]=4 3255 B9R1.11 C=CC(O)c1ccsc1 Amb24427764 [1,1,0,0,0,0|1,0,1]=4 3256 B9R1.11 C=C[C@@H](O)c1ccsc1 Amb27652868 [1,1,0,0,0,0|1,0,1]=4 3257 B9R1.11 C=C[C@H](O)c1ccsc1 Amb27405223 [1,1,0,0,0,0|1,0,1]=4 3258 B9R1.11 CC(C=O)c1ccsc1 Amb18643620 [1,1,0,0,0,0|1,0,1]=4 3259 B9R1.11 CC(CO)=C1C=CC=C1 Amb27981717 [1,1,0,0,0,0|2,0,0]=4 3260 B9R1.11 CC(ON)c1ccsc1 Amb33428928 [1,1,0,0,0,0|1,0,1]=4 3261 B9R1.11 CCC(=O)c1ccoc1 Amb27196907 [1,1,0,0,0,0|1,1,0]=4 3262 B9R1.11 CCC(=O)c1ccsc1 Amb6298062 [1,1,0,0,0,0|1,0,0]=3 3263 B9R1.11 CCC(=O)c1cnsc1 Amb35716779 [1,1,0,0,0,0|2,0,0]=4 3264 B9R1.11 CCC(=O)c1cscn1 Amb24384180 [1,1,0,0,0,0|2,0,0]=4 3265 B9R1.11 CC[C@H](O)c1ccsc1 Amb27838764 [1,1,0,0,0,0|1,0,1]=4 3266 B9R1.11 CNC(=O)c1ccsc1 Amb2612185 [1,1,0,0,0,0|1,0,0]=3 3267 B9R1.11 COC(=N)c1ccoc1 Amb27837467 [1,1,0,0,0,0|1,1,0]=4 3268 B9R1.11 COC(=N)c1cscn1 Amb25888953 [1,1,0,0,0,0|2,0,0]=4 3269 B9R1.11 COC(=O)C1=CCSC1 Amb22235064 [1,1,0,0,0,0|0,0,2]=4 3270 B9R1.11 COC(=O)c1ccco1 Amb4302709 [1,1,0,0,0,0|2,0,0]=4 3271 B9R1.11 COC(=O)c1cccs1 Amb1911537 [1,1,0,0,0,0|2,0,0]=4 3272 B9R1.11 COC(=O)c1ccno1 Amb4450531 [1,1,0,0,0,0|2,0,0]=4 3273 B9R1.11 COC(=O)c1ccns1 Amb13883507 [1,1,0,0,0,0|2,0,0]=4 3274 B9R1.11 COC(=O)c1ccoc1 Amb33531546 [1,1,0,0,0,0|0,1,0]=3 3275 B9R1.11 COC(=O)c1ccsc1 Amb9245220 [1,1,0,0,0,0|0,0,0]=2 3276 B9R1.11 COC(=O)c1cnco1 Amb21520455 [1,1,0,0,0,0|2,0,0]=4 3277 B9R1.11 COC(=O)c1cncs1 Amb2455728 [1,1,0,0,0,0|2,0,0]=4 3278 B9R1.11 COC(=O)c1cnoc1 Amb22754239 [1,1,0,0,0,0|1,1,0]=4 3279 B9R1.11 COC(=O)c1cnsc1 Amb25705771 [1,1,0,0,0,0|1,0,0]=3 3280 B9R1.11 COC(=O)c1cnsn1 Amb25338228 [1,1,0,0,0,0|2,0,0]=4 3281 B9R1.11 COC(=O)c1cocn1 Amb21857674 [1,1,0,0,0,0|1,1,0]=4 3282 B9R1.11 COC(=O)c1cscn1 Amb10067320 [1,1,0,0,0,0|1,0,0]=3 3283 B9R1.11 COC(=O)c1csnn1 Amb2384311 [1,1,0,0,0,0|2,0,0]=4 3284 B9R1.11 COC(=O)n1cccc1 Amb4477192 [1,1,0,0,0,0|2,0,0]=4 3285 B9R1.11 COC(=S)c1ccsc1 Amb27633360 [1,1,0,0,0,0|0,1,0]=3 3286 B9R1.11 CSC(=O)c1cscn1 Amb10070320 [1,1,0,0,0,0|1,1,0]=4 3287 B9R1.11 C[C@H](CO)c1ccsc1 Amb28315476 [1,1,0,0,0,0|1,0,1]=4 3288 B9R1.11 C\C(=N\O)c1ccoc1 Amb28047667 [1,1,0,0,0,0|1,1,0]=4 3289 B9R1.11 C\C(=N\O)c1ccsc1 Amb27833776 [1,1,0,0,0,0|1,0,0]=3 3290 B9R1.11 C\C(=N\O)c1cscn1 Amb16186593 [1,1,0,0,0,0|2,0,0]=4 3291 B9R1.11 N#CC(=O)c1ccsc1 Amb27409399 [1,1,0,0,0,0|1,0,0]=3 3292 B9R1.11 N#CC(O)c1ccsc1 Amb9295050 [1,1,0,0,0,0|1,0,1]=4 3293 B9R1.11 N#C[C@@H](O)c1ccsc1 Amb27882476 [1,1,0,0,0,0|1,0,1]=4 3294 B9R1.11 NC(=S=O)c1cscn1 Amb27758659 [1,1,0,0,0,0|2,0,0]=4 3295 B9R1.11 NC(CO)c1ccsc1 Amb18281700 [1,1,0,0,0,0|1,0,1]=4 3296 B9R1.11 NCC(=O)c1ccoc1 Amb18642270 [1,1,0,0,0,0|1,1,0]=4 3297 B9R1.11 NCC(=O)c1ccsc1 Amb18643742 [1,1,0,0,0,0|1,0,0]=3 3298 B9R1.11 NCC(=O)c1ccsn1 Amb24471992 [1,1,0,0,0,0|2,0,0]=4 3299 B9R1.11 NCC(=O)c1cnsc1 Amb30009640 [1,1,0,0,0,0|2,0,0]=4 3300 B9R1.11 NCC(=O)c1cscn1 Amb18831641 [1,1,0,0,0,0|2,0,0]=4 3301 B9R1.11 NCC(O)c1ccsc1 Amb1108450 [1,1,0,0,0,0|1,0,1]=4 3302 B9R1.11 NC[C@@H](O)c1ccsc1 Amb26950004 [1,1,0,0,0,0|1,0,1]=4 3303 B9R1.11 NC[C@H](O)c1ccsc1 Amb25828147 [1,1,0,0,0,0|1,0,1]=4 3304 B9R1.11 NNC(=O)c1ccoc1 Amb1137431 [1,1,0,0,0,0|1,1,0]=4 3305 B9R1.11 NNC(=O)c1ccsc1 Amb1127945 [1,1,0,0,0,0|1,0,0]=3 3306 B9R1.11 NNC(=O)c1cscn1 Amb1786304 [1,1,0,0,0,0|2,0,0]=4 3307 B9R1.11 N[C@@H](CO)c1ccsc1 Amb25254855 [1,1,0,0,0,0|1,0,1]=4 3308 B9R1.11 N[C@H](CO)c1ccsc1 Amb27654236 [1,1,0,0,0,0|1,0,1]=4 3309 B9R1.11 N\C(=N/O)c1ccsc1 Amb1154671 [1,1,0,0,0,0|1,0,0]=3 3310 B9R1.11 N\C(=N/O)c1cnsc1 Amb33033634 [1,1,0,0,0,0|2,0,0]=4 3311 B9R1.11 N\C(=N/O)c1cscn1 Amb26023341 [1,1,0,0,0,0|2,0,0]=4 3312 B9R1.11 N\C(=N\O)c1ccoc1 Amb25728620 [1,1,0,0,0,0|1,1,0]=4 3313 B9R1.11 N\C(=N\O)c1ccsc1 Amb22053011 [1,1,0,0,0,0|1,0,0]=3 3314 B9R1.11 O=C(CBr)c1ccsc1 Amb2723197 [1,1,0,0,0,0|1,0,0]=3 3315 B9R1.11 O=C(CBr)c1cscn1 Amb22899135 [1,1,0,0,0,0|2,0,0]=4 3316 B9R1.11 O=C(CCl)c1ccoc1 Amb22395346 [1,1,0,0,0,0|1,1,0]=4 3317 B9R1.11 O=C(CCl)c1ccsc1 Amb25727715 [1,1,0,0,0,0|1,0,0]=3 3318 B9R1.11 O=C(CCl)c1cnsc1 Amb32664375 [1,1,0,0,0,0|2,0,0]=4 3319 B9R1.11 O=C(CCl)c1cscn1 Amb17506261 [1,1,0,0,0,0|2,0,0]=4 3320 B9R1.11 O=C(CI)c1ccoc1 Amb27647081 [1,1,0,0,0,0|1,1,0]=4 3321 B9R1.11 O=C(CO)c1ccco1 Amb17689139 [1,1,0,0,0,0|2,0,0]=4 3322 B9R1.11 O=C(CO)c1cccs1 Amb25742219 [1,1,0,0,0,0|2,0,0]=4 3323 B9R1.11 O=C(NO)c1ccco1 Amb6270335 [1,1,0,0,0,0|2,0,0]=4 3324 B9R1.11 O=C(NO)c1cccs1 Amb1151586 [1,1,0,0,0,0|2,0,0]=4 3325 B9R1.11 O=C(NO)c1ccno1 Amb27448090 [1,1,0,0,0,0|2,0,0]=4 3326 B9R1.11 O=C(NO)c1ccon1 Amb27856744 [1,1,0,0,0,0|1,1,0]=4 3327 B9R1.11 O=C(NO)c1cncs1 Amb27494447 [1,1,0,0,0,0|2,0,0]=4 3328 B9R1.11 O=C(NO)c1cnsn1 Amb28318357 [1,1,0,0,0,0|2,0,0]=4 3329 B9R1.11 O=C(NO)c1cocn1 Amb28318358 [1,1,0,0,0,0|1,1,0]=4 3330 B9R1.11 O=C(NO)n1cccc1 Amb25114377 [1,1,0,0,0,0|2,0,0]=4 3331 B9R1.11 O=C(O[Cu])c1cccs1 Amb13890298 [1,1,0,0,0,0|2,0,0]=4 3332 B9R1.11 O=C(O[Na])c1cccs1 Amb3150403 [1,1,0,0,0,0|2,0,0]=4 3333 B9R1.11 O=CC(O)c1ccsn1 Amb27478296 [1,1,0,0,0,0|1,0,1]=4 3334 B9R1.11 O=CC(O)c1cnsc1 Amb30019972 [1,1,0,0,0,0|1,0,1]=4 3335 B9R1.11 OC(CBr)c1ccsc1 Amb25921174 [1,1,0,0,0,0|1,0,1]=4 3336 B9R1.11 OC(CCl)c1ccsc1 Amb28461031 [1,1,0,0,0,0|1,0,1]=4 3337 B9R1.11 OC(CF)c1ccsc1 Amb33428920 [1,1,0,0,0,0|1,0,1]=4 3338 B9R1.11 OCC(O)c1ccsc1 Amb28385067 [1,1,0,0,0,0|0,0,2]=4 3339 B9R1.11 O[C@H](CBr)c1ccsc1 Amb27408174 [1,1,0,0,0,0|1,0,1]=4 3340 B9R1.11 O[C@H](CCl)c1ccsc1 Amb27668844 [1,1,0,0,0,0|1,0,1]=4 3341 B9R1.11 O\N=C(/Cl)c1ccsc1 Amb26570907 [1,1,0,0,0,0|1,0,0]=3 3342 B9R1.11 O\N=C(/Cl)c1cscn1 Amb27193469 [1,1,0,0,0,0|2,0,0]=4 3343 B9R1.19 CC(C)(O)c1ccsc1 Amb28346036 [1,1,0,0,0,0|1,0,1]=4 3344 B9R1.19 CS(=O)(=O)c1ccsc1 Amb2611486 [1,1,0,0,0,0|1,0,1]=4 3345 B9R1.19 NS(=O)(=O)c1ccsc1 Amb2613267 [1,1,0,0,0,0|1,0,1]=4 3346 B9R1.19 O=S(=O)(Cl)c1ccsc1 Amb2723196 [1,1,0,0,0,0|1,0,1]=4 3347 B9R1.19 O=S(=O)(F)c1ccsc1 Amb32716692 [1,1,0,0,0,0|1,0,1]=4 3348 B9R1.19 OB(O)(O)c1ccsc1 Amb27632815 [1,1,0,0,0,0|1,0,1]=4 3349 B9R1.19 O[B-](O)(O)c1ccsc1 Amb22583821 [1,1,0,0,0,0|1,0,1]=4 3350 B9R1.41 C=C1C=CC=C1C(C)=O Amb25861278 [1,1,0,0,0,0|2,0,0]=4 3351 B9R1.41 CC(=N)c1ccsc1S Amb27200746 [1,1,0,0,0,0|2,0,0]=4 3352 B9R1.41 CC(=O)C1=C([Na])CC=C1 Amb28321995 [1,1,0,0,0,0|2,0,0]=4 3353 B9R1.41 CC(=O)c1ccoc1Br Amb26393759 [1,1,0,0,0,0|1,1,0]=4 3354 B9R1.41 CC(=O)c1ccoc1C Amb28054842 [1,1,0,0,0,0|1,1,0]=4 3355 B9R1.41 CC(=O)c1ccoc1Cl Amb26081241 [1,1,0,0,0,0|1,1,0]=4 3356 B9R1.41 CC(=O)c1ccoc1O Amb27607192 [1,1,0,0,0,0|1,1,0]=4 3357 B9R1.41 CC(=O)c1ccsc1Br Amb22498154 [1,1,0,0,0,0|1,0,0]=3 3358 B9R1.41 CC(=O)c1ccsc1Cl Amb25147022 [1,1,0,0,0,0|1,0,0]=3 3359 B9R1.41 CC(=O)c1ccsc1N Amb16231458 [1,1,0,0,0,0|1,0,0]=3 3360 B9R1.41 CC(=O)c1ccsc1O Amb27964081 [1,1,0,0,0,0|1,0,0]=3 3361 B9R1.41 CC(=O)c1ccsc1S Amb25185349 [1,1,0,0,0,0|1,0,0]=3 3362 B9R1.41 CC(=O)c1cocc1Br Amb27636721 [1,1,0,0,0,0|1,1,0]=4 3363 B9R1.41 CC(=O)c1cscc1Br Amb22500733 [1,1,0,0,0,0|1,0,0]=3 3364 B9R1.41 CC(=O)c1cscc1Cl Amb22899017 [1,1,0,0,0,0|1,0,0]=3 3365 B9R1.41 CC(=O)c1cscc1F Amb18202408 [1,1,0,0,0,0|1,0,0]=3 3366 B9R1.41 CC(=O)c1csnc1C Amb28254620 [1,1,0,0,0,0|2,0,0]=4 3367 B9R1.41 CC(=O)c1ncsc1Br Amb29892935 [1,1,0,0,0,0|2,0,0]=4 3368 B9R1.41 CC(=O)c1ncsc1C Amb18831707 [1,1,0,0,0,0|2,0,0]=4 3369 B9R1.41 CC(=O)c1ncsc1I Amb27652947 [1,1,0,0,0,0|2,0,0]=4 3370 B9R1.41 CC(=O)c1ncsc1N Amb27881679 [1,1,0,0,0,0|2,0,0]=4 3371 B9R1.41 CC(=O)c1ncsc1S Amb25945736 [1,1,0,0,0,0|2,0,0]=4 3372 B9R1.41 CC(=O)c1nscc1Br Amb29864146 [1,1,0,0,0,0|2,0,0]=4 3373 B9R1.41 CC(O)c1ccsc1Br Amb25332329 [1,1,0,0,0,0|1,0,1]=4 3374 B9R1.41 CC1=C(C(=O)O)CCS1 Amb24750254 [1,1,0,0,0,0|0,0,2]=4 3375 B9R1.41 CS(=O)c1ccsc1Br Amb27619305 [1,1,0,0,0,0|2,0,0]=4 3376 B9R1.41 C\C(N)=C1\C=CSC1=O Amb27873987 [1,1,0,0,0,0|2,0,0]=4 3377 B9R1.41 Cc1ccoc1C(=O)O Amb1156943 [1,1,0,0,0,0|2,0,0]=4 3378 B9R1.41 Cc1ccsc1C(=O)O Amb2695360 [1,1,0,0,0,0|2,0,0]=4 3379 B9R1.41 Cc1cnoc1C(=O)O Amb10071410 [1,1,0,0,0,0|2,0,0]=4 3380 B9R1.41 Cc1cnsc1C(=O)O Amb8439091 [1,1,0,0,0,0|2,0,0]=4 3381 B9R1.41 Cc1cocc1C(=O)O Amb22886569 [1,1,0,0,0,0|0,1,0]=3 3382 B9R1.41 Cc1cocc1C(N)=O Amb27780012 [1,1,0,0,0,0|1,1,0]=4 3383 B9R1.41 Cc1conc1C(=O)O Amb33545063 [1,1,0,0,0,0|1,1,0]=4 3384 B9R1.41 Cc1cscc1B(O)O Amb19515847 [1,1,0,0,0,0|1,0,1]=4 3385 B9R1.41 Cc1cscc1C(=N)N Amb26910871 [1,1,0,0,0,0|2,0,0]=4 3386 B9R1.41 Cc1cscc1C(=O)Cl Amb28145070 [1,1,0,0,0,0|1,0,0]=3 3387 B9R1.41 Cc1cscc1C(=O)O Amb20240802 [1,1,0,0,0,0|0,0,0]=2 3388 B9R1.41 Cc1cscc1C(C)O Amb27494376 [1,1,0,0,0,0|1,0,1]=4 3389 B9R1.41 Cc1cscc1C(N)=O Amb24699178 [1,1,0,0,0,0|1,0,0]=3 3390 B9R1.41 Cc1cscc1[C@@H](C)O Amb27441437 [1,1,0,0,0,0|1,0,1]=4 3391 B9R1.41 Cc1cscc1[C@H](C)O Amb24671755 [1,1,0,0,0,0|1,0,1]=4 3392 B9R1.41 Cc1cscc1[N+](=O)[O-] Amb27205060 [1,1,0,0,0,0|1,0,1]=4 3393 B9R1.41 Cc1ncoc1C(=O)O Amb2723146 [1,1,0,0,0,0|2,0,0]=4 3394 B9R1.41 Cc1ncsc1C(=O)O Amb6336150 [1,1,0,0,0,0|2,0,0]=4 3395 B9R1.41 Cc1nocc1C(=O)O Amb2724897 [1,1,0,0,0,0|1,1,0]=4 3396 B9R1.41 Cc1nscc1C(=O)O Amb8010605 [1,1,0,0,0,0|1,0,0]=3 3397 B9R1.41 Cc1nscc1C(N)=O Amb23441230 [1,1,0,0,0,0|2,0,0]=4 3398 B9R1.41 Cc1nsnc1C(=O)O Amb18124672 [1,1,0,0,0,0|2,0,0]=4 3399 B9R1.41 Cc1occc1C(=O)Cl Amb2782014 [1,1,0,0,0,0|1,1,0]=4 3400 B9R1.41 Cc1occc1C(=O)O Amb1102055 [1,1,0,0,0,0|0,1,0]=3 3401 B9R1.41 Cc1occc1C(N)=O Amb8858551 [1,1,0,0,0,0|1,1,0]=4 3402 B9R1.41 Cc1ocnc1C(=O)O Amb10067408 [1,1,0,0,0,0|1,1,0]=4 3403 B9R1.41 Cc1oncc1C(=O)O Amb2371765 [1,1,0,0,0,0|1,1,0]=4 3404 B9R1.41 Cc1sccc1B(O)O Amb16234310 [1,1,0,0,0,0|1,0,1]=4 3405 B9R1.41 Cc1sccc1C(=N)N Amb28133315 [1,1,0,0,0,0|2,0,0]=4 3406 B9R1.41 Cc1sccc1C(=O)Cl Amb25320759 [1,1,0,0,0,0|1,0,0]=3 3407 B9R1.41 Cc1sccc1C(=O)O Amb2447618 [1,1,0,0,0,0|0,0,0]=2 3408 B9R1.41 Cc1sccc1C(N)=O Amb8496178 [1,1,0,0,0,0|1,0,0]=3 3409 B9R1.41 Cc1sccc1[N+](=O)[O-] Amb5720240 [1,1,0,0,0,0|1,0,1]=4 3410 B9R1.41 Cc1scnc1C(=O)O Amb10067521 [1,1,0,0,0,0|1,0,0]=3 3411 B9R1.41 Cc1scnc1C(N)=O Amb22498462 [1,1,0,0,0,0|2,0,0]=4 3412 B9R1.41 Cc1sncc1C(=O)O Amb18202488 [1,1,0,0,0,0|1,0,0]=3 3413 B9R1.41 Cc1snnc1C(=O)O Amb1981486 [1,1,0,0,0,0|2,0,0]=4 3414 B9R1.41 Cn1cccc1C(=O)O Amb1151288 [1,1,0,0,0,0|2,0,0]=4 3415 B9R1.41 Cn1cncc1C(=O)O Amb2723356 [1,1,0,0,0,0|2,0,0]=4 3416 B9R1.41 Cn1nccc1C(=O)O Amb1068318 [1,1,0,0,0,0|2,0,0]=4 3417 B9R1.41 N=C(N)c1ccsc1Br Amb28286549 [1,1,0,0,0,0|2,0,0]=4 3418 B9R1.41 N=C(N)c1ccsc1Cl Amb27477263 [1,1,0,0,0,0|2,0,0]=4 3419 B9R1.41 N=C1SSC=C1C(N)=O Amb27818065 [1,1,0,0,0,0|2,0,0]=4 3420 B9R1.41 NC(=O)c1ccsc1Cl Amb28145949 [1,1,0,0,0,0|1,0,0]=3 3421 B9R1.41 NC(=O)c1ccsc1I Amb28052821 [1,1,0,0,0,0|1,0,0]=3 3422 B9R1.41 NC(=O)c1ccsc1N Amb6335617 [1,1,0,0,0,0|1,0,0]=3 3423 B9R1.41 NC(=O)c1cnsc1N Amb24333061 [1,1,0,0,0,0|2,0,0]=4 3424 B9R1.41 NC(=O)c1cscc1Br Amb24610632 [1,1,0,0,0,0|1,0,0]=3 3425 B9R1.41 NC(=O)c1ncsc1Br Amb22753107 [1,1,0,0,0,0|2,0,0]=4 3426 B9R1.41 NC(=O)c1ncsc1Cl Amb23402176 [1,1,0,0,0,0|2,0,0]=4 3427 B9R1.41 NC(=O)c1ncsc1N Amb18643989 [1,1,0,0,0,0|2,0,0]=4 3428 B9R1.41 NC(=O)c1ncsc1S Amb26872701 [1,1,0,0,0,0|2,0,0]=4 3429 B9R1.41 NC(=O)c1nscc1N Amb1089974 [1,1,0,0,0,0|2,0,0]=4 3430 B9R1.41 NC(=S)c1cscc1Br Amb22499462 [1,1,0,0,0,0|1,1,0]=4 3431 B9R1.41 NC1=NC=CC1C(=O)O Amb28293193 [1,1,0,0,0,0|1,0,1]=4 3432 B9R1.41 Nc1ccoc1C(=O)O Amb18832709 [1,1,0,0,0,0|2,0,0]=4 3433 B9R1.41 Nc1ccsc1C(=O)O Amb19888389 [1,1,0,0,0,0|2,0,0]=4 3434 B9R1.41 Nc1ccsc1C(=O)O Amb2695071 [1,1,0,0,0,0|2,0,0]=4 3435 B9R1.41 Nc1cnsc1C(=O)O Amb18831515 [1,1,0,0,0,0|2,0,0]=4 3436 B9R1.41 Nc1cscc1C(=O)O Amb10071408 [1,1,0,0,0,0|0,0,0]=2 3437 B9R1.41 Nc1cscc1[N+](=O)[O-] Amb18202413 [1,1,0,0,0,0|1,0,1]=4 3438 B9R1.41 Nc1csnc1C(=O)O Amb10068068 [1,1,0,0,0,0|1,0,0]=3 3439 B9R1.41 Nc1csnc1C(=O)O Amb1068363 [1,1,0,0,0,0|1,0,0]=3 3440 B9R1.41 Nc1csnc1C(=O)O Amb20669014 [1,1,0,0,0,0|1,0,0]=3 3441 B9R1.41 Nc1ncsc1C(=O)O Amb24481890 [1,1,0,0,0,0|2,0,0]=4 3442 B9R1.41 Nc1nocc1C(=O)O Amb22499456 [1,1,0,0,0,0|1,1,0]=4 3443 B9R1.41 Nc1nscc1C(=O)O Amb22587515 [1,1,0,0,0,0|1,0,0]=3 3444 B9R1.41 Nc1nsnc1C(=O)O Amb6355925 [1,1,0,0,0,0|2,0,0]=4 3445 B9R1.41 Nc1oncc1C(=O)O Amb18636491 [1,1,0,0,0,0|1,1,0]=4 3446 B9R1.41 Nc1sccc1C(=O)O Amb4296914 [1,1,0,0,0,0|0,0,0]=2 3447 B9R1.41 Nc1scnc1C(=O)O Amb25302896 [1,1,0,0,0,0|1,0,0]=3 3448 B9R1.41 Nc1snnc1C(=O)O Amb18202376 [1,1,0,0,0,0|2,0,0]=4 3449 B9R1.41 Nn1cccc1C(=O)O Amb28143308 [1,1,0,0,0,0|2,0,0]=4 3450 B9R1.41 O=C(Cl)c1ccoc1Br Amb6572340 [1,1,0,0,0,0|1,1,0]=4 3451 B9R1.41 O=C(Cl)c1ccoc1Cl Amb27411494 [1,1,0,0,0,0|1,1,0]=4 3452 B9R1.41 O=C(Cl)c1cscc1Cl Amb27265816 [1,1,0,0,0,0|1,0,0]=3 3453 B9R1.41 O=C(Cl)c1nscc1Br Amb30013699 [1,1,0,0,0,0|2,0,0]=4 3454 B9R1.41 O=C(O)C1=CC=CC1Cl Amb27780445 [1,1,0,0,0,0|1,0,1]=4 3455 B9R1.41 O=C(O)C1=CONC1=O Amb18832582 [1,1,0,0,0,0|1,1,0]=4 3456 B9R1.41 O=C(O)C1=CSSC1=S Amb28076749 [1,1,0,0,0,0|1,0,0]=3 3457 B9R1.41 O=C(O)c1ccoc1Br Amb33544509 [1,1,0,0,0,0|0,1,0]=3 3458 B9R1.41 O=C(O)c1ccoc1Cl Amb25731243 [1,1,0,0,0,0|0,1,0]=3 3459 B9R1.41 O=C(O)c1ccoc1F Amb27241158 [1,1,0,0,0,0|0,1,0]=3 3460 B9R1.41 O=C(O)c1ccoc1I Amb25889545 [1,1,0,0,0,0|0,1,0]=3 3461 B9R1.41 O=C(O)c1ccsc1Br Amb2724056 [1,1,0,0,0,0|0,0,0]=2 3462 B9R1.41 O=C(O)c1ccsc1Cl Amb10576176 [1,1,0,0,0,0|0,0,0]=2 3463 B9R1.41 O=C(O)c1ccsc1F Amb2611690 [1,1,0,0,0,0|0,0,0]=2 3464 B9R1.41 O=C(O)c1ccsc1I Amb24741705 [1,1,0,0,0,0|0,0,0]=2 3465 B9R1.41 O=C(O)c1cnoc1Cl Amb18202171 [1,1,0,0,0,0|1,1,0]=4 3466 B9R1.41 O=C(O)c1cocc1Br Amb27454338 [1,1,0,0,0,0|0,1,0]=3 3467 B9R1.41 O=C(O)c1cocc1Cl Amb18202241 [1,1,0,0,0,0|0,1,0]=3 3468 B9R1.41 O=C(O)c1cscc1Br Amb33548878 [1,1,0,0,0,0|0,0,0]=2 3469 B9R1.41 O=C(O)c1cscc1Cl Amb5720835 [1,1,0,0,0,0|0,0,0]=2 3470 B9R1.41 O=C(O)c1cscc1F Amb28364282 [1,1,0,0,0,0|0,0,0]=2 3471 B9R1.41 O=C(O)c1cscc1I Amb27235489 [1,1,0,0,0,0|0,0,0]=2 3472 B9R1.41 O=C(O)c1cscc1O Amb18124673 [1,1,0,0,0,0|0,0,0]=2 3473 B9R1.41 O=C(O)c1cscc1S Amb18126245 [1,1,0,0,0,0|0,0,0]=2 3474 B9R1.41 O=C(O)c1csnc1Br Amb24350581 [1,1,0,0,0,0|1,0,0]=3 3475 B9R1.41 O=C(O)c1csnc1Cl Amb10602285 [1,1,0,0,0,0|1,0,0]=3 3476 B9R1.41 O=C(O)c1ncsc1Br Amb10067425 [1,1,0,0,0,0|1,0,0]=3 3477 B9R1.41 O=C(O)c1ncsc1S Amb26964290 [1,1,0,0,0,0|1,0,0]=3 3478 B9R1.41 O=C(O)c1nocc1Br Amb27813383 [1,1,0,0,0,0|1,1,0]=4 3479 B9R1.41 O=C(O)c1nocc1Cl Amb33496115 [1,1,0,0,0,0|1,1,0]=4 3480 B9R1.41 O=C(O)c1nocc1O Amb22055438 [1,1,0,0,0,0|1,1,0]=4 3481 B9R1.41 O=C(O)c1nscc1Br Amb25827572 [1,1,0,0,0,0|1,0,0]=3 3482 B9R1.41 O=C(O)c1nscc1I Amb25161872 [1,1,0,0,0,0|1,0,0]=3 3483 B9R1.41 O=C(O)c1nsnc1Cl Amb26452925 [1,1,0,0,0,0|2,0,0]=4 3484 B9R1.41 O=C(O)c1nsnc1O Amb18644238 [1,1,0,0,0,0|2,0,0]=4 3485 B9R1.41 O=C(O)c1occc1Br Amb7990094 [1,1,0,0,0,0|2,0,0]=4 3486 B9R1.41 O=C(O)c1occc1Cl Amb18202245 [1,1,0,0,0,0|2,0,0]=4 3487 B9R1.41 O=C(O)c1occc1F Amb26497027 [1,1,0,0,0,0|2,0,0]=4 3488 B9R1.41 O=C(O)c1sccc1Br Amb2685506 [1,1,0,0,0,0|2,0,0]=4 3489 B9R1.41 O=C(O)c1sccc1Cl Amb2686485 [1,1,0,0,0,0|2,0,0]=4 3490 B9R1.41 O=C(O)c1sccc1F Amb33542984 [1,1,0,0,0,0|2,0,0]=4 3491 B9R1.41 O=C(O)c1sccc1I Amb2688890 [1,1,0,0,0,0|2,0,0]=4 3492 B9R1.41 O=C(O)c1sccc1O Amb10069920 [1,1,0,0,0,0|2,0,0]=4 3493 B9R1.41 O=C(O)c1scnc1Br Amb18778174 [1,1,0,0,0,0|2,0,0]=4 3494 B9R1.41 O=C(O)c1scnc1Cl Amb6479171 [1,1,0,0,0,0|2,0,0]=4 3495 B9R1.41 O=C(O)c1scnc1S Amb27490987 [1,1,0,0,0,0|2,0,0]=4 3496 B9R1.41 O=C(O)c1sncc1Br Amb17595558 [1,1,0,0,0,0|2,0,0]=4 3497 B9R1.41 O=C(O)c1sncc1Cl Amb17594060 [1,1,0,0,0,0|2,0,0]=4 3498 B9R1.41 O=N(=O)c1ccsc1Cl Amb22396367 [1,1,0,0,0,0|1,0,1]=4 3499 B9R1.41 O=S(O)c1cscc1Br Amb33734475 [1,1,0,0,0,0|1,0,0]=3 3500 B9R1.41 O=S([O-])c1cscc1Br Amb32754377 [1,1,0,0,0,0|1,0,1]=4 3501 B9R1.41 O=[N+]([O-])c1ccsc1Br Amb8439359 [1,1,0,0,0,0|1,0,1]=4 3502 B9R1.41 O=[N+]([O-])c1ccsc1Cl Amb2686302 [1,1,0,0,0,0|1,0,1]=4 3503 B9R1.41 O=[N+]([O-])c1ccsc1I Amb27847218 [1,1,0,0,0,0|1,0,1]=4 3504 B9R1.41 OB(O)c1ccsc1Cl Amb8394574 [1,1,0,0,0,0|1,0,1]=4 3505 B9R1.41 OB(O)c1cscc1Br Amb9780894 [1,1,0,0,0,0|1,0,1]=4 3506 B9R1.41 OB(O)c1cscc1Cl Amb25144069 [1,1,0,0,0,0|1,0,1]=4 3507 B9R1.164 CC1(C)C=C(C(=O)O)C1 Amb22405981 [0,1,0,0,1,0|0,0,2]=4 3508 B11R1.3 C#Cc1ccc(C(=O)O)cc1 Amb9694013 [0,1,0,0,0,1|1,0,1]=4 3509 B11R1.3 C#Cc1ccc(C(=O)O)cn1 Amb19316322 [0,1,0,0,0,1|1,0,1]=4 3510 B11R1.3 C#Cc1ccc(C(=O)O)nc1 Amb19243676 [0,1,0,0,0,1|1,0,1]=4 3511 B11R1.3 C=Cc1ccc(C(=O)O)cc1 Amb2691199 [0,1,0,0,0,1|1,0,1]=4 3512 B11R1.3 C=Cc1ccc(C(=O)O)cn1 Amb27823094 [0,1,0,0,0,1|1,0,1]=4 3513 B11R1.3 CC(=O)c1ccc(CBr)cc1 Amb10603321 [0,1,0,0,0,1|2,0,0]=4 3514 B11R1.3 CC(=O)c1ccc(CCl)cc1 Amb20623067 [0,1,0,0,0,1|2,0,0]=4 3515 B11R1.3 CC(=O)c1ccc(CCl)cn1 Amb24738375 [0,1,0,0,0,1|2,0,0]=4 3516 B11R1.3 CC(=O)c1ccc(CF)cc1 Amb25273009 [0,1,0,0,0,1|2,0,0]=4 3517 B11R1.3 CC(=O)c1ccc(CN)cc1 Amb17101539 [0,1,0,0,0,1|2,0,0]=4 3518 B11R1.3 CC(=O)c1ccc(CN)cc1 Amb22728112 [0,1,0,0,0,1|2,0,0]=4 3519 B11R1.3 CC(=O)c1ccc(CN)cc1 Amb28991209 [0,1,0,0,0,1|2,0,0]=4 3520 B11R1.3 CC(=O)c1ccc(CO)cc1 Amb22735803 [0,1,0,0,0,1|2,0,0]=4 3521 B11R1.3 CC(=O)c1ccc(CO)cn1 Amb22754983 [0,1,0,0,0,1|2,0,0]=4 3522 B11R1.3 CC(=O)c1cnc(CN)nc1 Amb33307648 [0,1,0,0,0,1|2,0,0]=4 3523 B11R1.3 CCc1ccc(C(=O)Br)cc1 Amb18602746 [0,1,0,0,0,1|2,0,0]=4 3524 B11R1.3 CCc1ccc(C(=O)Cl)cc1 Amb2720503 [0,1,0,0,0,1|2,0,0]=4 3525 B11R1.3 CCc1ccc(C(=O)Cl)cn1 Amb24091672 [0,1,0,0,0,1|2,0,0]=4 3526 B11R1.3 CCc1ccc(C(=O)Cl)nc1 Amb26629711 [0,1,0,0,0,1|2,0,0]=4 3527 B11R1.3 CCc1ccc(C(=O)F)cc1 Amb24487659 [0,1,0,0,0,1|2,0,0]=4 3528 B11R1.3 CCc1ccc(C(=O)O)cc1 Amb2568275 [0,1,0,0,0,1|1,0,0]=3 3529 B11R1.3 CCc1ccc(C(=O)O)cn1 Amb26635337 [0,1,0,0,0,1|1,0,0]=3 3530 B11R1.3 CCc1ccc(C(=O)O)nc1 Amb2611236 [0,1,0,0,0,1|1,0,0]=3 3531 B11R1.3 CCc1ccc(C(=O)O)nc1 Amb35789108 [0,1,0,0,0,1|1,0,0]=3 3532 B11R1.3 CCc1ccc(C(C)=O)cc1 Amb844094 [0,1,0,0,0,1|2,0,0]=4 3533 B11R1.3 CCc1ccc(C(C)=O)cn1 Amb24390807 [0,1,0,0,0,1|2,0,0]=4 3534 B11R1.3 CCc1ccc(C(N)=O)cc1 Amb2776463 [0,1,0,0,0,1|2,0,0]=4 3535 B11R1.3 CCc1ccc(C(N)=O)nc1 Amb26643932 [0,1,0,0,0,1|2,0,0]=4 3536 B11R1.3 CCc1ccc(S(=O)O)cc1 Amb18065477 [0,1,0,0,0,1|2,0,0]=4 3537 B11R1.3 CCc1cnc(C(=O)O)cn1 Amb22489687 [0,1,0,0,0,1|1,0,0]=3 3538 B11R1.3 CCc1cnc(C(=O)O)nc1 Amb25350758 [0,1,0,0,0,1|2,0,0]=4 3539 B11R1.3 CCc1cnc(C(=O)O)nn1 Amb18201170 [0,1,0,0,0,1|2,0,0]=4 3540 B11R1.3 CCc1ncc(C(=O)Cl)cn1 Amb25074014 [0,1,0,0,0,1|2,0,0]=4 3541 B11R1.3 CCc1ncc(C(=O)O)cn1 Amb10607906 [0,1,0,0,0,1|1,0,0]=3 3542 B11R1.3 CNC1=NC=C(C(C)=O)CS1 Amb27668845 [0,1,0,0,0,1|1,0,1]=4 3543 B11R1.3 CNc1ccc(C(=O)O)cc1 Amb2747921 [0,1,0,0,0,1|1,0,0]=3 3544 B11R1.3 CNc1ccc(C(=O)O)cn1 Amb6675046 [0,1,0,0,0,1|1,0,0]=3 3545 B11R1.3 CNc1ccc(C(=O)O)nc1 Amb27393932 [0,1,0,0,0,1|1,0,0]=3 3546 B11R1.3 CNc1ccc(C(=O)O)nn1 Amb8009719 [0,1,0,0,0,1|2,0,0]=4 3547 B11R1.3 CNc1ccc(C(C)=O)cc1 Amb17305941 [0,1,0,0,0,1|2,0,0]=4 3548 B11R1.3 CNc1ccc(C(C)=O)cn1 Amb28325049 [0,1,0,0,0,1|2,0,0]=4 3549 B11R1.3 CNc1ccc(C(N)=O)cc1 Amb10609631 [0,1,0,0,0,1|2,0,0]=4 3550 B11R1.3 CNc1ccc(C(N)=O)cc1 Amb6710438 [0,1,0,0,0,1|2,0,0]=4 3551 B11R1.3 CNc1ccc(C(N)=O)cn1 Amb18959246 [0,1,0,0,0,1|2,0,0]=4 3552 B11R1.3 CNc1cnc(C(=O)O)cn1 Amb33545620 [0,1,0,0,0,1|1,0,0]=3 3553 B11R1.3 CNc1cnc(C(N)=O)cn1 Amb28460824 [0,1,0,0,0,1|2,0,0]=4 3554 B11R1.3 CNc1ncc(C(=O)O)cn1 Amb29838323 [0,1,0,0,0,1|1,0,0]=3 3555 B11R1.3 CNc1ncc(C(=O)O)cn1 Amb841017 [0,1,0,0,0,1|1,0,0]=3 3556 B11R1.3 CNc1ncc(C(N)=O)cn1 Amb27606222 [0,1,0,0,0,1|2,0,0]=4 3557 B11R1.3 COc1ccc(C(=O)Cl)cc1 Amb2792899 [0,1,0,0,0,1|2,0,0]=4 3558 B11R1.3 COc1ccc(C(=O)Cl)cn1 Amb24091803 [0,1,0,0,0,1|2,0,0]=4 3559 B11R1.3 COc1ccc(C(=O)Cl)nc1 Amb25909617 [0,1,0,0,0,1|2,0,0]=4 3560 B11R1.3 COc1ccc(C(=O)F)cc1 Amb24640758 [0,1,0,0,0,1|2,0,0]=4 3561 B11R1.3 COc1ccc(C(=O)O)cc1 Amb1208772 [0,1,0,0,0,1|1,0,0]=3 3562 B11R1.3 COc1ccc(C(=O)O)cn1 Amb1088866 [0,1,0,0,0,1|1,0,0]=3 3563 B11R1.3 COc1ccc(C(=O)O)nc1 Amb19944230 [0,1,0,0,0,1|1,0,0]=3 3564 B11R1.3 COc1ccc(C(=O)O)nc1 Amb8439089 [0,1,0,0,0,1|1,0,0]=3 3565 B11R1.3 COc1ccc(C(=O)O)nn1 Amb33534945 [0,1,0,0,0,1|2,0,0]=4 3566 B11R1.3 COc1ccc(C(=O)[O-])cc1 Amb3911515 [0,1,0,0,0,1|1,0,1]=4 3567 B11R1.3 COc1ccc(C(=O)[O-])cn1 Amb33512965 [0,1,0,0,0,1|1,0,1]=4 3568 B11R1.3 COc1ccc(C(C)=O)cc1 Amb569812 [0,1,0,0,0,1|2,0,0]=4 3569 B11R1.3 COc1ccc(C(C)=O)cn1 Amb8395989 [0,1,0,0,0,1|2,0,0]=4 3570 B11R1.3 COc1ccc(C(C)=O)nc1 Amb21964476 [0,1,0,0,0,1|2,0,0]=4 3571 B11R1.3 COc1ccc(C(N)=O)cc1 Amb3429049 [0,1,0,0,0,1|2,0,0]=4 3572 B11R1.3 COc1ccc(C(N)=O)cn1 Amb8998592 [0,1,0,0,0,1|2,0,0]=4 3573 B11R1.3 COc1ccc(C(N)=O)nc1 Amb19959630 [0,1,0,0,0,1|2,0,0]=4 3574 B11R1.3 COc1ccc(S(=O)O)cc1 Amb18563977 [0,1,0,0,0,1|2,0,0]=4 3575 B11R1.3 COc1ccc(S(=O)O)cn1 Amb27840214 [0,1,0,0,0,1|2,0,0]=4 3576 B11R1.3 COc1ccc(S(=O)O)nc1 Amb33734478 [0,1,0,0,0,1|2,0,0]=4 3577 B11R1.3 COc1cnc(C(=O)Cl)cn1 Amb26874364 [0,1,0,0,0,1|2,0,0]=4 3578 B11R1.3 COc1cnc(C(=O)O)cn1 Amb19515941 [0,1,0,0,0,1|1,0,0]=3 3579 B11R1.3 COc1cnc(C(=O)O)nc1 Amb18125648 [0,1,0,0,0,1|2,0,0]=4 3580 B11R1.3 COc1cnc(C(C)=O)cn1 Amb22728840 [0,1,0,0,0,1|2,0,0]=4 3581 B11R1.3 COc1cnc(C(N)=O)cn1 Amb27666957 [0,1,0,0,0,1|2,0,0]=4 3582 B11R1.3 COc1ncc(C(=O)Cl)cn1 Amb27166636 [0,1,0,0,0,1|2,0,0]=4 3583 B11R1.3 COc1ncc(C(=O)O)cn1 Amb841014 [0,1,0,0,0,1|1,0,0]=3 3584 B11R1.3 COc1ncc(C(C)=O)cn1 Amb27273199 [0,1,0,0,0,1|2,0,0]=4 3585 B11R1.3 CSc1ccc(C(=O)Cl)cc1 Amb22337423 [0,1,0,0,0,1|2,0,0]=4 3586 B11R1.3 CSc1ccc(C(=O)Cl)nc1 Amb27591551 [0,1,0,0,0,1|2,0,0]=4 3587 B11R1.3 CSc1ccc(C(=O)F)cc1 Amb28291368 [0,1,0,0,0,1|2,0,0]=4 3588 B11R1.3 CSc1ccc(C(=O)O)cc1 Amb424925 [0,1,0,0,0,1|1,0,0]=3 3589 B11R1.3 CSc1ccc(C(=O)O)cn1 Amb8439458 [0,1,0,0,0,1|1,0,0]=3 3590 B11R1.3 CSc1ccc(C(=O)O)nc1 Amb18647178 [0,1,0,0,0,1|1,0,0]=3 3591 B11R1.3 CSc1ccc(C(C)=O)cc1 Amb6357861 [0,1,0,0,0,1|2,0,0]=4 3592 B11R1.3 CSc1ccc(C(C)=O)nc1 Amb24582162 [0,1,0,0,0,1|2,0,0]=4 3593 B11R1.3 CSc1ccc(S(=O)O)cc1 Amb18224840 [0,1,0,0,0,1|2,0,0]=4 3594 B11R1.3 CSc1ncc(C(=O)O)cn1 Amb7102790 [0,1,0,0,0,1|1,0,0]=3 3595 B11R1.3 CSc1ncc(C(N)=O)cn1 Amb25301414 [0,1,0,0,0,1|2,0,0]=4 3596 B11R1.3 N#Cc1ccc(C(=O)O)cc1 Amb2609996 [0,1,0,0,0,1|1,0,1]=4 3597 B11R1.3 N#Cc1ccc(C(=O)O)cn1 Amb2691465 [0,1,0,0,0,1|1,0,1]=4 3598 B11R1.3 N#Cc1ccc(C(=O)O)nc1 Amb6384309 [0,1,0,0,0,1|1,0,1]=4 3599 B11R1.3 N#Cc1cnc(C(=O)O)cn1 Amb18202198 [0,1,0,0,0,1|1,0,1]=4 3600 B11R1.3 N#Cc1ncc(C(=O)O)cn1 Amb22499514 [0,1,0,0,0,1|1,0,1]=4 3601 B11R1.3 N#[N+]c1ccc(C(=O)O)cc1 Amb31291590 [0,1,0,0,0,1|2,0,0]=4 3602 B11R1.3 N=Nc1ccc(C(=O)O)cc1 Amb22232868 [0,1,0,0,0,1|2,0,0]=4 3603 B11R1.3 NC(=O)c1ccc(CBr)cc1 Amb21856118 [0,1,0,0,0,1|2,0,0]=4 3604 B11R1.3 NC(=O)c1ccc(CBr)nc1 Amb26417546 [0,1,0,0,0,1|2,0,0]=4 3605 B11R1.3 NC(=O)c1ccc(CCl)cc1 Amb1223574 [0,1,0,0,0,1|2,0,0]=4 3606 B11R1.3 NC(=O)c1ccc(CI)cc1 Amb27667515 [0,1,0,0,0,1|2,0,0]=4 3607 B11R1.3 NC(=O)c1ccc(CO)cc1 Amb8858353 [0,1,0,0,0,1|2,0,0]=4 3608 B11R1.3 NC(=O)c1ccc(CO)cn1 Amb27639769 [0,1,0,0,0,1|2,0,0]=4 3609 B11R1.3 NC(=O)c1ccc(CO)nc1 Amb23441364 [0,1,0,0,0,1|2,0,0]=4 3610 B11R1.3 NC(=O)c1ccc(CS)cc1 Amb6255027 [0,1,0,0,0,1|2,0,0]=4 3611 B11R1.3 NCc1ccc(C(=O)O)cc1 Amb16185430 [0,1,0,0,0,1|1,0,0]=3 3612 B11R1.3 NCc1ccc(C(=O)O)cc1 Amb1905628 [0,1,0,0,0,1|1,0,0]=3 3613 B11R1.3 NCc1ccc(C(=O)O)cn1 Amb23399606 [0,1,0,0,0,1|1,0,0]=3 3614 B11R1.3 NCc1ccc(C(=O)O)cn1 Amb32721636 [0,1,0,0,0,1|1,0,0]=3 3615 B11R1.3 NCc1ccc(C(=O)O)cn1 Amb8631371 [0,1,0,0,0,1|1,0,0]=3 3616 B11R1.3 NCc1ccc(C(=O)O)nc1 Amb19148688 [0,1,0,0,0,1|1,0,0]=3 3617 B11R1.3 NCc1ccc(C(=O)O)nc1 Amb30584643 [0,1,0,0,0,1|1,0,0]=3 3618 B11R1.3 NCc1ccc(C(N)=O)cc1 Amb1211942 [0,1,0,0,0,1|2,0,0]=4 3619 B11R1.3 NCc1ccc(C(N)=O)cc1 Amb4520244 [0,1,0,0,0,1|2,0,0]=4 3620 B11R1.3 NCc1ccc(C(N)=O)cn1 Amb18251343 [0,1,0,0,0,1|2,0,0]=4 3621 B11R1.3 NCc1ccc(C(N)=O)nc1 Amb18251342 [0,1,0,0,0,1|2,0,0]=4 3622 B11R1.3 NCc1ccc([PH](=O)O)cc1 Amb27208945 [0,1,0,0,0,1|2,0,0]=4 3623 B11R1.3 NCc1cnc(C(=O)O)cn1 Amb18201158 [0,1,0,0,0,1|1,0,0]=3 3624 B11R1.3 NCc1ncc(C(=O)O)cn1 Amb22491581 [0,1,0,0,0,1|1,0,0]=3 3625 B11R1.3 NCc1ncc(C(=O)O)cn1 Amb28652914 [0,1,0,0,0,1|1,0,0]=3 3626 B11R1.3 NNc1ccc(C(=O)O)cc1 Amb1209661 [0,1,0,0,0,1|2,0,0]=4 3627 B11R1.3 NNc1ccc(C(=O)O)cc1 Amb2236560 [0,1,0,0,0,1|2,0,0]=4 3628 B11R1.3 NNc1ccc(C(=O)O)cn1 Amb22899553 [0,1,0,0,0,1|2,0,0]=4 3629 B11R1.3 NNc1ccc(C(=O)O)cn1 Amb2446294 [0,1,0,0,0,1|2,0,0]=4 3630 B11R1.3 NNc1ccc(C(=O)O)nc1 Amb22490278 [0,1,0,0,0,1|2,0,0]=4 3631 B11R1.3 NNc1ccc(C(=O)O)nc1 Amb32662575 [0,1,0,0,0,1|2,0,0]=4 3632 B11R1.3 NNc1ccc(C(=O)O)nc1 Amb32757599 [0,1,0,0,0,1|2,0,0]=4 3633 B11R1.3 NSc1ccc(C(=O)O)cc1 Amb27642092 [0,1,0,0,0,1|2,0,0]=4 3634 B11R1.3 O=C(Cl)c1ccc(CBr)cc1 Amb21953447 [0,1,0,0,0,1|2,0,0]=4 3635 B11R1.3 O=C(Cl)c1ccc(CCl)cc1 Amb3940740 [0,1,0,0,0,1|2,0,0]=4 3636 B11R1.3 O=C(Cl)c1ccc(CO)cc1 Amb27405100 [0,1,0,0,0,1|2,0,0]=4 3637 B11R1.3 O=C(O)c1ccc(CBr)cc1 Amb1210709 [0,1,0,0,0,1|1,0,0]=3 3638 B11R1.3 O=C(O)c1ccc(CBr)nc1 Amb22011864 [0,1,0,0,0,1|1,0,0]=3 3639 B11R1.3 O=C(O)c1ccc(CCl)cc1 Amb2371361 [0,1,0,0,0,1|1,0,0]=3 3640 B11R1.3 O=C(O)c1ccc(CCl)nc1 Amb22751505 [0,1,0,0,0,1|1,0,0]=3 3641 B11R1.3 O=C(O)c1ccc(CF)cc1 Amb25765665 [0,1,0,0,0,1|1,0,0]=3 3642 B11R1.3 O=C(O)c1ccc(CO)cc1 Amb6572689 [0,1,0,0,0,1|1,0,0]=3 3643 B11R1.3 O=C(O)c1ccc(CO)cn1 Amb18125516 [0,1,0,0,0,1|1,0,0]=3 3644 B11R1.3 O=C(O)c1ccc(CO)cn1 Amb30584664 [0,1,0,0,0,1|1,0,0]=3 3645 B11R1.3 O=C(O)c1ccc(CO)nc1 Amb4561105 [0,1,0,0,0,1|1,0,0]=3 3646 B11R1.3 O=C(O)c1ccc(CS)cc1 Amb436536 [0,1,0,0,0,1|1,0,0]=3 3647 B11R1.3 O=C(O)c1ccc(NO)nc1 Amb28041883 [0,1,0,0,0,1|2,0,0]=4 3648 B11R1.3 O=C(O)c1ccc([Hg]Cl)cc1 Amb10071522 [0,1,0,0,0,1|2,0,0]=4 3649 B11R1.3 O=C(O)c1cnc(CBr)cn1 Amb26855476 [0,1,0,0,0,1|1,0,0]=3 3650 B11R1.3 O=C(O)c1cnc(CCl)nc1 Amb24674152 [0,1,0,0,0,1|1,0,0]=3 3651 B11R1.3 O=C(O)c1cnc(CF)cn1 Amb27165834 [0,1,0,0,0,1|1,0,0]=3 3652 B11R1.3 O=C(O)c1cnc(CO)cn1 Amb24731276 [0,1,0,0,0,1|1,0,0]=3 3653 B11R1.3 O=C(O)c1cnc(NO)nc1 Amb27402912 [0,1,0,0,0,1|2,0,0]=4 3654 B11R1.3 O=Cc1ccc(C(=O)O)cc1 Amb1905480 [0,1,0,0,0,1|1,0,1]=4 3655 B11R1.3 O=Cc1ccc(C(=O)O)cn1 Amb4561100 [0,1,0,0,0,1|1,0,1]=4 3656 B11R1.3 O=Cc1ccc(C(=O)O)nc1 Amb20247833 [0,1,0,0,0,1|1,0,1]=4 3657 B11R1.3 O=Cc1cnc(C(=O)O)cn1 Amb18201494 [0,1,0,0,0,1|1,0,1]=4 3658 B11R1.3 O=Nc1ccc(C(=O)O)cc1 Amb17593755 [0,1,0,0,0,1|2,0,0]=4 3659 B11R1.3 [C-]#[N+]c1ccc(C(=O)O)cc1 Amb27975750 [0,1,0,0,0,1|1,0,1]=4 3660 B11R1.19 Cc1ccc(P(=O)(O)F)cc1 Amb28411207 [0,1,0,0,0,1|2,0,0]=4 3661 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb10068428 [0,1,0,0,0,1|2,0,0]=4 3662 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb10603241 [0,1,0,0,0,1|2,0,0]=4 3663 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb15692583 [0,1,0,0,0,1|2,0,0]=4 3664 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb16231469 [0,1,0,0,0,1|2,0,0]=4 3665 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb19882314 [0,1,0,0,0,1|2,0,0]=4 3666 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb19889647 [0,1,0,0,0,1|2,0,0]=4 3667 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb20171445 [0,1,0,0,0,1|2,0,0]=4 3668 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb20240611 [0,1,0,0,0,1|2,0,0]=4 3669 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb20240786 [0,1,0,0,0,1|2,0,0]=4 3670 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb20242998 [0,1,0,0,0,1|2,0,0]=4 3671 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22369428 [0,1,0,0,0,1|2,0,0]=4 3672 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22491485 [0,1,0,0,0,1|2,0,0]=4 3673 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22493675 [0,1,0,0,0,1|2,0,0]=4 3674 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22728685 [0,1,0,0,0,1|2,0,0]=4 3675 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22746138 [0,1,0,0,0,1|2,0,0]=4 3676 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22746555 [0,1,0,0,0,1|2,0,0]=4 3677 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22899496 [0,1,0,0,0,1|2,0,0]=4 3678 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb22900003 [0,1,0,0,0,1|2,0,0]=4 3679 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb24094203 [0,1,0,0,0,1|2,0,0]=4 3680 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb24113169 [0,1,0,0,0,1|2,0,0]=4 3681 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb25961941 [0,1,0,0,0,1|2,0,0]=4 3682 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb26454237 [0,1,0,0,0,1|2,0,0]=4 3683 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb26909167 [0,1,0,0,0,1|2,0,0]=4 3684 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb27270910 [0,1,0,0,0,1|2,0,0]=4 3685 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb27451904 [0,1,0,0,0,1|2,0,0]=4 3686 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb27636120 [0,1,0,0,0,1|2,0,0]=4 3687 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb2782008 [0,1,0,0,0,1|2,0,0]=4 3688 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb28465477 [0,1,0,0,0,1|2,0,0]=4 3689 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb28827648 [0,1,0,0,0,1|2,0,0]=4 3690 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb28991377 [0,1,0,0,0,1|2,0,0]=4 3691 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb29837948 [0,1,0,0,0,1|2,0,0]=4 3692 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb30594261 [0,1,0,0,0,1|2,0,0]=4 3693 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb30594619 [0,1,0,0,0,1|2,0,0]=4 3694 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb30633769 [0,1,0,0,0,1|2,0,0]=4 3695 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb31308032 [0,1,0,0,0,1|2,0,0]=4 3696 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb32405427 [0,1,0,0,0,1|2,0,0]=4 3697 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb32409370 [0,1,0,0,0,1|2,0,0]=4 3698 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb32412425 [0,1,0,0,0,1|2,0,0]=4 3699 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb32653544 [0,1,0,0,0,1|2,0,0]=4 3700 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb32665792 [0,1,0,0,0,1|2,0,0]=4 3701 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb32666273 [0,1,0,0,0,1|2,0,0]=4 3702 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33456273 [0,1,0,0,0,1|2,0,0]=4 3703 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33623153 [0,1,0,0,0,1|2,0,0]=4 3704 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33623361 [0,1,0,0,0,1|2,0,0]=4 3705 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33716924 [0,1,0,0,0,1|2,0,0]=4 3706 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33725619 [0,1,0,0,0,1|2,0,0]=4 3707 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33742479 [0,1,0,0,0,1|2,0,0]=4 3708 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33743743 [0,1,0,0,0,1|2,0,0]=4 3709 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33801736 [0,1,0,0,0,1|2,0,0]=4 3710 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33869282 [0,1,0,0,0,1|2,0,0]=4 3711 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb33872183 [0,1,0,0,0,1|2,0,0]=4 3712 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb34147728 [0,1,0,0,0,1|2,0,0]=4 3713 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb34157393 [0,1,0,0,0,1|2,0,0]=4 3714 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb34915981 [0,1,0,0,0,1|2,0,0]=4 3715 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb35750087 [0,1,0,0,0,1|2,0,0]=4 3716 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb35751354 [0,1,0,0,0,1|2,0,0]=4 3717 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb35789125 [0,1,0,0,0,1|2,0,0]=4 3718 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb6609038 [0,1,0,0,0,1|2,0,0]=4 3719 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb6891931 [0,1,0,0,0,1|2,0,0]=4 3720 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb8514476 [0,1,0,0,0,1|2,0,0]=4 3721 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 Amb9801915 [0,1,0,0,0,1|2,0,0]=4 3722 B11R1.19 Cc1ccc(S(=O)(=O)O)cn1 Amb2612061 [0,1,0,0,0,1|2,0,0]=4 3723 B11R1.19 Cc1ccc(S(=O)(=O)O)nc1 Amb22299083 [0,1,0,0,0,1|2,0,0]=4 3724 B11R1.19 Cc1ccc(S(=O)(O)=S)cc1 Amb26448892 [0,1,0,0,0,1|2,0,0]=4 3725 B11R1.21 C=C1C=CC(C(=O)O)=CC1=C Amb25982898 [0,1,0,0,0,1|1,0,1]=4 3726 B11R1.21 CC(=O)C1=CC=C(C)C(=O)O1 Amb24722786 [0,1,0,0,0,1|2,0,0]=4 3727 B11R1.21 CC(=O)C1=CN(C)C(C)=CS1 Amb27432680 [0,1,0,0,0,1|2,0,0]=4 3728 B11R1.21 CC(=O)c1cc(Br)c(C)cn1 Amb27479948 [0,1,0,0,0,1|2,0,0]=4 3729 B11R1.21 CC(=O)c1cc(C)c(C)cn1 Amb27842058 [0,1,0,0,0,1|2,0,0]=4 3730 B11R1.21 CC(=O)c1cc(Cl)c(C)cn1 Amb25112168 [0,1,0,0,0,1|2,0,0]=4 3731 B11R1.21 CC(=O)c1cc(F)c(C)cn1 Amb27628943 [0,1,0,0,0,1|2,0,0]=4 3732 B11R1.21 CC(=O)c1ccc(C)c(Br)c1 Amb6296407 [0,1,0,0,0,1|2,0,0]=4 3733 B11R1.21 CC(=O)c1ccc(C)c(Br)n1 Amb22494954 [0,1,0,0,0,1|2,0,0]=4 3734 B11R1.21 CC(=O)c1ccc(C)c(C)c1 Amb844093 [0,1,0,0,0,1|2,0,0]=4 3735 B11R1.21 CC(=O)c1ccc(C)c(Cl)c1 Amb10607161 [0,1,0,0,0,1|2,0,0]=4 3736 B11R1.21 CC(=O)c1ccc(C)c(F)c1 Amb2688167 [0,1,0,0,0,1|2,0,0]=4 3737 B11R1.21 CC(=O)c1ccc(C)c(F)n1 Amb26570306 [0,1,0,0,0,1|2,0,0]=4 3738 B11R1.21 CC(=O)c1ccc(C)c(N)c1 Amb22587627 [0,1,0,0,0,1|2,0,0]=4 3739 B11R1.21 CC(=O)c1ccc(C)c(N)c1 Amb9859639 [0,1,0,0,0,1|2,0,0]=4 3740 B11R1.21 CC(=O)c1ccc(C)c(O)c1 Amb17334297 [0,1,0,0,0,1|2,0,0]=4 3741 B11R1.21 CC(=O)c1cnc(C)c(Cl)c1 Amb25152808 [0,1,0,0,0,1|2,0,0]=4 3742 B11R1.21 CC(=O)c1cnc(C)c(F)c1 Amb25990927 [0,1,0,0,0,1|2,0,0]=4 3743 B11R1.21 CC1=CC(C(=O)O)=CNC1=O Amb21963584 [0,1,0,0,0,1|2,0,0]=4 3744 B11R1.21 CC1=CC=C(C(=O)O)NC1=O Amb18125523 [0,1,0,0,0,1|1,0,0]=3 3745 B11R1.21 CC1=CC=C(C(=O)O)OC1=O Amb18644609 [0,1,0,0,0,1|1,0,0]=3 3746 B11R1.21 CC1=NC(C(=O)O)=CNC1=O Amb18125649 [0,1,0,0,0,1|2,0,0]=4 3747 B11R1.21 CN1C=C(C(=O)O)C=CC1=O Amb18280724 [0,1,0,0,0,1|2,0,0]=4 3748 B11R1.21 CN1C=C(C(=O)O)C=NC1=O Amb18125650 [0,1,0,0,0,1|2,0,0]=4 3749 B11R1.21 CN1C=C(C(=O)O)N=CC1=O Amb27865859 [0,1,0,0,0,1|2,0,0]=4 3750 B11R1.21 CN1C=C(C(=O)O)N=CC1=O Amb30584797 [0,1,0,0,0,1|2,0,0]=4 3751 B11R1.21 CN1C=CC(C(=O)O)=CC1=O Amb18949290 [0,1,0,0,0,1|2,0,0]=4 3752 B11R1.21 CN1C=NC(C(=O)O)=CC1=O Amb28594315 [0,1,0,0,0,1|2,0,0]=4 3753 B11R1.21 CN1N=CC(C(=O)O)=CC1=O Amb25215579 [0,1,0,0,0,1|2,0,0]=4 3754 B11R1.21 Cc1cc(C(=O)O)ccc1Br Amb2685318 [0,1,0,0,0,1|2,0,0]=4 3755 B11R1.21 Cc1cc(C(=O)O)ccc1Cl Amb2686196 [0,1,0,0,0,1|2,0,0]=4 3756 B11R1.21 Cc1cc(C(=O)O)ccc1F Amb2688190 [0,1,0,0,0,1|2,0,0]=4 3757 B11R1.21 Cc1cc(C(=O)O)ccc1I Amb1060318 [0,1,0,0,0,1|2,0,0]=4 3758 B11R1.21 Cc1cc(C(=O)O)ccc1N Amb2371743 [0,1,0,0,0,1|2,0,0]=4 3759 B11R1.21 Cc1cc(C(=O)O)ccc1O Amb2688764 [0,1,0,0,0,1|2,0,0]=4 3760 B11R1.21 Cc1cc(C(=O)O)ccc1S Amb18948117 [0,1,0,0,0,1|2,0,0]=4 3761 B11R1.21 Cc1cc(C(=O)O)cnc1Br Amb20248203 [0,1,0,0,0,1|2,0,0]=4 3762 B11R1.21 Cc1cc(C(=O)O)cnc1C Amb19516857 [0,1,0,0,0,1|1,0,0]=3 3763 B11R1.21 Cc1cc(C(=O)O)cnc1C Amb22587378 [0,1,0,0,0,1|1,0,0]=3 3764 B11R1.21 Cc1cc(C(=O)O)cnc1Cl Amb18126851 [0,1,0,0,0,1|2,0,0]=4 3765 B11R1.21 Cc1cc(C(=O)O)cnc1F Amb2447519 [0,1,0,0,0,1|2,0,0]=4 3766 B11R1.21 Cc1cc(C(=O)O)cnc1I Amb23446996 [0,1,0,0,0,1|2,0,0]=4 3767 B11R1.21 Cc1cc(C(=O)O)cnc1S Amb18126607 [0,1,0,0,0,1|2,0,0]=4 3768 B11R1.21 Cc1cc(C(=O)O)ncc1Br Amb10603820 [0,1,0,0,0,1|2,0,0]=4 3769 B11R1.21 Cc1cc(C(=O)O)ncc1Cl Amb18198381 [0,1,0,0,0,1|2,0,0]=4 3770 B11R1.21 Cc1cc(C(=O)O)ncc1F Amb26880387 [0,1,0,0,0,1|2,0,0]=4 3771 B11R1.21 Cc1cc(C(=O)O)ncc1N Amb24601802 [0,1,0,0,0,1|2,0,0]=4 3772 B11R1.21 Cc1cc(C(=O)O)ncc1N Amb33620557 [0,1,0,0,0,1|2,0,0]=4 3773 B11R1.21 Cc1cc(C(=O)O)ncc1O Amb24417626 [0,1,0,0,0,1|2,0,0]=4 3774 B11R1.21 Cc1cc(C(=O)O)nnc1C Amb27972213 [0,1,0,0,0,1|2,0,0]=4 3775 B11R1.21 Cc1ccc(C(=O)Cl)cc1Br Amb2685324 [0,1,0,0,0,1|2,0,0]=4 3776 B11R1.21 Cc1ccc(C(=O)Cl)cc1C Amb2687483 [0,1,0,0,0,1|2,0,0]=4 3777 B11R1.21 Cc1ccc(C(=O)Cl)cc1F Amb2688193 [0,1,0,0,0,1|2,0,0]=4 3778 B11R1.21 Cc1ccc(C(=O)Cl)cc1I Amb24093128 [0,1,0,0,0,1|2,0,0]=4 3779 B11R1.21 Cc1ccc(C(=O)Cl)cc1O Amb6743372 [0,1,0,0,0,1|2,0,0]=4 3780 B11R1.21 Cc1ccc(C(=O)Cl)nc1C Amb27868846 [0,1,0,0,0,1|2,0,0]=4 3781 B11R1.21 Cc1ccc(C(=O)Cl)nc1Cl Amb28284260 [0,1,0,0,0,1|2,0,0]=4 3782 B11R1.21 Cc1ccc(C(=O)F)cc1F Amb26983710 [0,1,0,0,0,1|2,0,0]=4 3783 B11R1.21 Cc1ccc(C(=O)O)c[n+]1[O-] Amb19959235 [0,1,0,0,0,1|1,0,0]=3 3784 B11R1.21 Cc1ccc(C(=O)O)cc1Br Amb6349350 [0,1,0,0,0,1|1,0,0]=3 3785 B11R1.21 Cc1ccc(C(=O)O)cc1C Amb2558202 [0,1,0,0,0,1|1,0,0]=3 3786 B11R1.21 Cc1ccc(C(=O)O)cc1Cl Amb2686198 [0,1,0,0,0,1|1,0,0]=3 3787 B11R1.21 Cc1ccc(C(=O)O)cc1F Amb1229910 [0,1,0,0,0,1|1,0,0]=3 3788 B11R1.21 Cc1ccc(C(=O)O)cc1I Amb1125694 [0,1,0,0,0,1|1,0,0]=3 3789 B11R1.21 Cc1ccc(C(=O)O)cc1N Amb2781997 [0,1,0,0,0,1|1,0,0]=3 3790 B11R1.21 Cc1ccc(C(=O)O)cc1O Amb1229982 [0,1,0,0,0,1|1,0,0]=3 3791 B11R1.21 Cc1ccc(C(=O)O)cc1S Amb24054265 [0,1,0,0,0,1|1,0,0]=3 3792 B11R1.21 Cc1ccc(C(=O)O)nc1Br Amb20248966 [0,1,0,0,0,1|1,0,0]=3 3793 B11R1.21 Cc1ccc(C(=O)O)nc1C Amb18125242 [0,1,0,0,0,1|1,0,0]=3 3794 B11R1.21 Cc1ccc(C(=O)O)nc1Cl Amb19958043 [0,1,0,0,0,1|1,0,0]=3 3795 B11R1.21 Cc1ccc(C(=O)O)nc1F Amb22235354 [0,1,0,0,0,1|1,0,0]=3 3796 B11R1.21 Cc1ccc(C(=O)O)nc1N Amb25802260 [0,1,0,0,0,1|1,0,0]=3 3797 B11R1.21 Cc1ccc(C(=O)[O-])cc1C Amb33512946 [0,1,0,0,0,1|1,0,1]=4 3798 B11R1.21 Cc1ccc(C(=O)[O-])cc1Cl Amb22489468 [0,1,0,0,0,1|1,0,1]=4 3799 B11R1.21 Cc1ccc(C(N)=O)cc1Br Amb6344044 [0,1,0,0,0,1|2,0,0]=4 3800 B11R1.21 Cc1ccc(C(N)=O)cc1C Amb2726179 [0,1,0,0,0,1|2,0,0]=4 3801 B11R1.21 Cc1ccc(C(N)=O)cc1Cl Amb3429858 [0,1,0,0,0,1|2,0,0]=4 3802 B11R1.21 Cc1ccc(C(N)=O)cc1F Amb2688181 [0,1,0,0,0,1|2,0,0]=4 3803 B11R1.21 Cc1ccc(C(N)=O)cc1I Amb6397437 [0,1,0,0,0,1|2,0,0]=4 3804 B11R1.21 Cc1ccc(C(N)=O)cc1N Amb1113095 [0,1,0,0,0,1|2,0,0]=4 3805 B11R1.21 Cc1ccc(C(N)=O)cc1O Amb6671841 [0,1,0,0,0,1|2,0,0]=4 3806 B11R1.21 Cc1ccc(C(N)=O)nc1Br Amb22495091 [0,1,0,0,0,1|2,0,0]=4 3807 B11R1.21 Cc1ccc(C(N)=O)nc1C Amb28342630 [0,1,0,0,0,1|2,0,0]=4 3808 B11R1.21 Cc1ccc(C(N)=O)nc1Cl Amb26023051 [0,1,0,0,0,1|2,0,0]=4 3809 B11R1.21 Cc1ccc(C(N)=O)nc1F Amb33189963 [0,1,0,0,0,1|2,0,0]=4 3810 B11R1.21 Cc1ccc(S(=O)O)cc1C Amb18065475 [0,1,0,0,0,1|2,0,0]=4 3811 B11R1.21 Cc1cnc(C(=O)O)c[n+]1[O-] Amb10879257 [0,1,0,0,0,1|1,0,0]=3 3812 B11R1.21 Cc1cnc(C(=O)O)cc1Br Amb22497693 [0,1,0,0,0,1|1,0,0]=3 3813 B11R1.21 Cc1cnc(C(=O)O)cc1C Amb25892501 [0,1,0,0,0,1|1,0,0]=3 3814 B11R1.21 Cc1cnc(C(=O)O)cc1C Amb30584727 [0,1,0,0,0,1|1,0,0]=3 3815 B11R1.21 Cc1cnc(C(=O)O)cc1Cl Amb20670542 [0,1,0,0,0,1|1,0,0]=3 3816 B11R1.21 Cc1cnc(C(=O)O)cc1F Amb27823093 [0,1,0,0,0,1|1,0,0]=3 3817 B11R1.21 Cc1cnc(C(=O)O)cc1I Amb26557372 [0,1,0,0,0,1|1,0,0]=3 3818 B11R1.21 Cc1cnc(C(=O)O)cc1O Amb20667840 [0,1,0,0,0,1|1,0,0]=3 3819 B11R1.21 Cc1cnc(C(=O)O)cn1=O Amb22576544 [0,1,0,0,0,1|1,0,0]=3 3820 B11R1.21 Cc1cnc(C(N)=O)c[n+]1[O-] Amb26350465 [0,1,0,0,0,1|2,0,0]=4 3821 B11R1.21 Cc1cnc(C(N)=O)cc1Br Amb22495200 [0,1,0,0,0,1|2,0,0]=4 3822 B11R1.21 Cc1cnc(C(N)=O)cc1Cl Amb25707827 [0,1,0,0,0,1|2,0,0]=4 3823 B11R1.21 Cc1cnc(C(N)=O)cc1O Amb27590294 [0,1,0,0,0,1|2,0,0]=4 3824 B11R1.21 Cc1nc(C(=O)O)ccc1Br Amb33549131 [0,1,0,0,0,1|2,0,0]=4 3825 B11R1.21 Cc1nc(C(=O)O)ccc1F Amb21864546 [0,1,0,0,0,1|2,0,0]=4 3826 B11R1.21 Cc1nc(C(=O)O)ccc1I Amb28186464 [0,1,0,0,0,1|2,0,0]=4 3827 B11R1.21 Cc1nc(C(=O)O)ccc1O Amb26507572 [0,1,0,0,0,1|2,0,0]=4 3828 B11R1.21 Cc1nc(C(=O)O)cnc1Cl Amb27431587 [0,1,0,0,0,1|2,0,0]=4 3829 B11R1.21 Cc1nc(C(=O)O)cnc1N Amb25071590 [0,1,0,0,0,1|2,0,0]=4 3830 B11R1.21 Cc1ncc(C(=O)O)cc1Br Amb22234840 [0,1,0,0,0,1|1,0,0]=3 3831 B11R1.21 Cc1ncc(C(=O)O)cc1Cl Amb27433483 [0,1,0,0,0,1|1,0,0]=3 3832 B11R1.21 Cc1ncc(C(=O)O)cc1F Amb18830928 [0,1,0,0,0,1|1,0,0]=3 3833 B11R1.21 Cc1ncc(C(=O)O)cc1N Amb23440034 [0,1,0,0,0,1|1,0,0]=3 3834 B11R1.21 Cc1ncc(C(=O)O)cc1N Amb33742486 [0,1,0,0,0,1|1,0,0]=3 3835 B11R1.21 Cc1ncc(C(=O)O)cc1O Amb13881250 [0,1,0,0,0,1|1,0,0]=3 3836 B11R1.21 Cc1ncc(C(=O)O)nc1Br Amb28249526 [0,1,0,0,0,1|1,0,0]=3 3837 B11R1.21 Cc1ncc(C(=O)O)nc1C Amb8009388 [0,1,0,0,0,1|1,0,0]=3 3838 B11R1.21 Cc1ncc(C(=O)O)nc1N Amb27466482 [0,1,0,0,0,1|1,0,0]=3 3839 B11R1.21 Cc1ncc(C(N)=O)cc1F Amb26936341 [0,1,0,0,0,1|2,0,0]=4 3840 B11R1.21 Cn1cc(C(=O)O)ccc1=O Amb2783928 [0,1,0,0,0,1|2,0,0]=4 3841 B11R1.21 Cn1ccc(C(=O)O)cc1=O Amb2612439 [0,1,0,0,0,1|2,0,0]=4 3842 B11R1.21 Cn1ccc(C(=O)O)cc1=S Amb8439457 [0,1,0,0,0,1|2,0,0]=4 3843 B11R1.21 NC1=CC(C(=O)O)=CNC1=O Amb18200855 [0,1,0,0,0,1|2,0,0]=4 3844 B11R1.21 Nc1cc(C(=O)O)ccc1Br Amb6876192 [0,1,0,0,0,1|2,0,0]=4 3845 B11R1.21 Nc1cc(C(=O)O)ccc1Cl Amb2720216 [0,1,0,0,0,1|2,0,0]=4 3846 B11R1.21 Nc1cc(C(=O)O)ccc1F Amb10838541 [0,1,0,0,0,1|2,0,0]=4 3847 B11R1.21 Nc1cc(C(=O)O)ccc1F Amb1980792 [0,1,0,0,0,1|2,0,0]=4 3848 B11R1.21 Nc1cc(C(=O)O)ccc1I Amb20620266 [0,1,0,0,0,1|2,0,0]=4 3849 B11R1.21 Nc1cc(C(=O)O)ccc1O Amb6335559 [0,1,0,0,0,1|2,0,0]=4 3850 B11R1.21 Nc1cc(C(=O)O)ccc1O Amb8396074 [0,1,0,0,0,1|2,0,0]=4 3851 B11R1.21 Nc1cc(C(=O)O)ccc1S Amb18647177 [0,1,0,0,0,1|2,0,0]=4 3852 B11R1.21 Nc1cc(C(=O)O)cnc1Br Amb26989037 [0,1,0,0,0,1|2,0,0]=4 3853 B11R1.21 Nc1cc(C(=O)O)cnc1Cl Amb22755350 [0,1,0,0,0,1|2,0,0]=4 3854 B11R1.21 Nc1cc(C(=O)O)cnc1F Amb24673405 [0,1,0,0,0,1|2,0,0]=4 3855 B11R1.21 Nc1cc(C(=O)O)cnc1N Amb17933345 [0,1,0,0,0,1|2,0,0]=4 3856 B11R1.21 Nc1cc(C(=O)O)cnc1S Amb18198929 [0,1,0,0,0,1|2,0,0]=4 3857 B11R1.21 Nc1cc(C(=O)O)ncc1Br Amb24061858 [0,1,0,0,0,1|2,0,0]=4 3858 B11R1.21 Nc1cc(C(=O)O)ncc1Cl Amb27983517 [0,1,0,0,0,1|2,0,0]=4 3859 B11R1.21 Nc1cc(C(=O)O)ncc1F Amb26064815 [0,1,0,0,0,1|2,0,0]=4 3860 B11R1.21 Nc1cc(C(=O)O)ncc1F Amb33743411 [0,1,0,0,0,1|2,0,0]=4 3861 B11R1.21 Nc1ccc(C(=O)O)cc1Br Amb2610450 [0,1,0,0,0,1|2,0,0]=4 3862 B11R1.21 Nc1ccc(C(=O)O)cc1Cl Amb2684370 [0,1,0,0,0,1|2,0,0]=4 3863 B11R1.21 Nc1ccc(C(=O)O)cc1F Amb3427807 [0,1,0,0,0,1|2,0,0]=4 3864 B11R1.21 Nc1ccc(C(=O)O)cc1I Amb10070341 [0,1,0,0,0,1|2,0,0]=4 3865 B11R1.21 Nc1ccc(C(=O)O)cc1N Amb28991357 [0,1,0,0,0,1|2,0,0]=4 3866 B11R1.21 Nc1ccc(C(=O)O)cc1N Amb534799 [0,1,0,0,0,1|2,0,0]=4 3867 B11R1.21 Nc1ccc(C(=O)O)cc1O Amb3940565 [0,1,0,0,0,1|2,0,0]=4 3868 B11R1.21 Nc1ccc(C(=O)O)cc1S Amb20668181 [0,1,0,0,0,1|2,0,0]=4 3869 B11R1.21 Nc1ccc(C(=O)O)cc1S Amb535967 [0,1,0,0,0,1|2,0,0]=4 3870 B11R1.21 Nc1ccc(C(=O)O)nc1Br Amb24462272 [0,1,0,0,0,1|2,0,0]=4 3871 B11R1.21 Nc1ccc(C(=O)O)nc1Cl Amb26633001 [0,1,0,0,0,1|2,0,0]=4 3872 B11R1.21 Nc1ccc(C(=O)O)nc1F Amb28435295 [0,1,0,0,0,1|2,0,0]=4 3873 B11R1.21 Nc1ccc(C(=O)O)nc1N Amb17097725 [0,1,0,0,0,1|2,0,0]=4 3874 B11R1.21 Nc1cnc(C(=O)O)cc1Br Amb25871181 [0,1,0,0,0,1|2,0,0]=4 3875 B11R1.21 Nc1cnc(C(=O)O)cc1Cl Amb24709351 [0,1,0,0,0,1|2,0,0]=4 3876 B11R1.21 Nc1nc(C(=O)O)ccc1Br Amb22498158 [0,1,0,0,0,1|2,0,0]=4 3877 B11R1.21 Nc1nc(C(=O)O)ccc1Cl Amb23589339 [0,1,0,0,0,1|2,0,0]=4 3878 B11R1.21 Nc1nc(C(=O)O)ccc1F Amb26386524 [0,1,0,0,0,1|2,0,0]=4 3879 B11R1.21 Nc1nc(C(=O)O)ccc1O Amb22235554 [0,1,0,0,0,1|2,0,0]=4 3880 B11R1.21 Nc1nc(C(=O)O)ccc1O Amb33172753 [0,1,0,0,0,1|2,0,0]=4 3881 B11R1.21 Nc1nc(C(=O)O)cnc1Br Amb27155906 [0,1,0,0,0,1|2,0,0]=4 3882 B11R1.21 Nc1ncc(C(=O)O)cc1Br Amb19889772 [0,1,0,0,0,1|2,0,0]=4 3883 B11R1.21 Nc1ncc(C(=O)O)cc1Cl Amb6675664 [0,1,0,0,0,1|2,0,0]=4 3884 B11R1.21 Nc1ncc(C(=O)O)cc1I Amb16230644 [0,1,0,0,0,1|2,0,0]=4 3885 B11R1.21 Nc1ncc(C(=O)O)cc1O Amb19879002 [0,1,0,0,0,1|2,0,0]=4 3886 B11R1.21 Nc1ncc(C(=O)O)cc1O Amb33483903 [0,1,0,0,0,1|2,0,0]=4 3887 B11R1.21 Nc1ncc(C(=O)O)nc1Br Amb10601933 [0,1,0,0,0,1|2,0,0]=4 3888 B11R1.21 Nc1ncc(C(=O)O)nc1Cl Amb27476049 [0,1,0,0,0,1|2,0,0]=4 3889 B11R1.21 Nc1ncc(C(=O)O)nc1I Amb26929691 [0,1,0,0,0,1|2,0,0]=4 3890 B11R1.21 O=C(O)C1=CC(=O)C(Br)=CN1 Amb24483950 [0,1,0,0,0,1|2,0,0]=4 3891 B11R1.21 O=C(O)C1=CC(=O)C(Br)=CO1 Amb18658338 [0,1,0,0,0,1|2,0,0]=4 3892 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 Amb21962527 [0,1,0,0,0,1|2,0,0]=4 3893 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 Amb18125912 [0,1,0,0,0,1|2,0,0]=4 3894 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 Amb21857410 [0,1,0,0,0,1|2,0,0]=4 3895 B11R1.21 O=C(O)C1=CC=C(F)C(=O)N1 Amb22899461 [0,1,0,0,0,1|2,0,0]=4 3896 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 Amb24179163 [0,1,0,0,0,1|2,0,0]=4 3897 B11R1.21 O=C(O)C1=CC=C(O)C(=O)O1 Amb27401871 [0,1,0,0,0,1|2,0,0]=4 3898 B11R1.21 O=C(O)C1=CN(O)C(=O)C=C1 Amb33547583 [0,1,0,0,0,1|2,0,0]=4 3899 B11R1.21 O=C(O)C1=CNC(=O)C(Br)=C1 Amb18769462 [0,1,0,0,0,1|2,0,0]=4 3900 B11R1.21 O=C(O)C1=CNC(=O)C(Cl)=C1 Amb19406107 [0,1,0,0,0,1|2,0,0]=4 3901 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 Amb22498961 [0,1,0,0,0,1|2,0,0]=4 3902 B11R1.21 O=C(O)c1cc(Br)c(Cl)cn1 Amb26989588 [0,1,0,0,0,1|2,0,0]=4 3903 B11R1.21 O=C(O)c1cc(Br)c(F)cn1 Amb25698067 [0,1,0,0,0,1|2,0,0]=4 3904 B11R1.21 O=C(O)c1cc(Br)c(O)cn1 Amb26012787 [0,1,0,0,0,1|2,0,0]=4 3905 B11R1.21 O=C(O)c1cc(Cl)c(Br)cn1 Amb21963425 [0,1,0,0,0,1|2,0,0]=4 3906 B11R1.21 O=C(O)c1cc(Cl)c(Cl)cn1 Amb20247870 [0,1,0,0,0,1|2,0,0]=4 3907 B11R1.21 O=C(O)c1cc(Cl)c(F)cn1 Amb25151422 [0,1,0,0,0,1|2,0,0]=4 3908 B11R1.21 O=C(O)c1cc(Cl)c(I)cn1 Amb27865224 [0,1,0,0,0,1|2,0,0]=4 3909 B11R1.21 O=C(O)c1cc(Cl)c(O)cn1 Amb26494945 [0,1,0,0,0,1|2,0,0]=4 3910 B11R1.21 O=C(O)c1cc(F)c(Br)cn1 Amb26395939 [0,1,0,0,0,1|2,0,0]=4 3911 B11R1.21 O=C(O)c1cc(F)c(Cl)cn1 Amb24487683 [0,1,0,0,0,1|2,0,0]=4 3912 B11R1.21 O=C(O)c1cc(F)c(I)cn1 Amb26421882 [0,1,0,0,0,1|2,0,0]=4 3913 B11R1.21 O=C(O)c1cc(F)c(O)cn1 Amb27598032 [0,1,0,0,0,1|2,0,0]=4 3914 B11R1.21 O=C(O)c1cc(I)c(F)cn1 Amb24595921 [0,1,0,0,0,1|2,0,0]=4 3915 B11R1.21 O=C(O)c1cc(O)c(Cl)cn1 Amb25891410 [0,1,0,0,0,1|2,0,0]=4 3916 B11R1.21 O=C(O)c1cc(O)c(F)cn1 Amb24594934 [0,1,0,0,0,1|2,0,0]=4 3917 B11R1.21 O=C(O)c1cc(O)c(O)cn1 Amb30526971 [0,1,0,0,0,1|2,0,0]=4 3918 B11R1.21 O=C(O)c1ccc(Br)[n+]([O-])c1 Amb27617454 [0,1,0,0,0,1|2,0,0]=4 3919 B11R1.21 O=C(O)c1ccc(Br)c(Br)c1 Amb4009385 [0,1,0,0,0,1|2,0,0]=4 3920 B11R1.21 O=C(O)c1ccc(Br)c(Cl)c1 Amb10071603 [0,1,0,0,0,1|2,0,0]=4 3921 B11R1.21 O=C(O)c1ccc(Br)c(Cl)n1 Amb21856995 [0,1,0,0,0,1|2,0,0]=4 3922 B11R1.21 O=C(O)c1ccc(Br)c(F)c1 Amb2685191 [0,1,0,0,0,1|2,0,0]=4 3923 B11R1.21 O=C(O)c1ccc(Br)c(F)n1 Amb25958444 [0,1,0,0,0,1|2,0,0]=4 3924 B11R1.21 O=C(O)c1ccc(Br)c(I)c1 Amb21963501 [0,1,0,0,0,1|2,0,0]=4 3925 B11R1.21 O=C(O)c1ccc(Br)c(I)n1 Amb22751236 [0,1,0,0,0,1|2,0,0]=4 3926 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 Amb10072072 [0,1,0,0,0,1|2,0,0]=4 3927 B11R1.21 O=C(O)c1ccc(Br)c(O)n1 Amb20075768 [0,1,0,0,0,1|2,0,0]=4 3928 B11R1.21 O=C(O)c1ccc(Br)c(S)c1 Amb23557914 [0,1,0,0,0,1|2,0,0]=4 3929 B11R1.21 O=C(O)c1ccc(Cl)[n+]([O-])c1 Amb27248689 [0,1,0,0,0,1|2,0,0]=4 3930 B11R1.21 O=C(O)c1ccc(Cl)c(Br)c1 Amb845611 [0,1,0,0,0,1|2,0,0]=4 3931 B11R1.21 O=C(O)c1ccc(Cl)c(Br)n1 Amb21961456 [0,1,0,0,0,1|2,0,0]=4 3932 B11R1.21 O=C(O)c1ccc(Cl)c(Cl)c1 Amb3940030 [0,1,0,0,0,1|2,0,0]=4 3933 B11R1.21 O=C(O)c1ccc(Cl)c(Cl)n1 Amb18129913 [0,1,0,0,0,1|2,0,0]=4 3934 B11R1.21 O=C(O)c1ccc(Cl)c(F)c1 Amb2685952 [0,1,0,0,0,1|2,0,0]=4 3935 B11R1.21 O=C(O)c1ccc(Cl)c(F)n1 Amb8390111 [0,1,0,0,0,1|2,0,0]=4 3936 B11R1.21 O=C(O)c1ccc(Cl)c(I)c1 Amb1135958 [0,1,0,0,0,1|2,0,0]=4 3937 B11R1.21 O=C(O)c1ccc(Cl)c(O)c1 Amb33544451 [0,1,0,0,0,1|2,0,0]=4 3938 B11R1.21 O=C(O)c1ccc(Cl)c(S)c1 Amb18650042 [0,1,0,0,0,1|2,0,0]=4 3939 B11R1.21 O=C(O)c1ccc(F)c(Br)c1 Amb535157 [0,1,0,0,0,1|2,0,0]=4 3940 B11R1.21 O=C(O)c1ccc(F)c(Br)n1 Amb21856154 [0,1,0,0,0,1|2,0,0]=4 3941 B11R1.21 O=C(O)c1ccc(F)c(Cl)c1 Amb535152 [0,1,0,0,0,1|2,0,0]=4 3942 B11R1.21 O=C(O)c1ccc(F)c(Cl)n1 Amb20670131 [0,1,0,0,0,1|2,0,0]=4 3943 B11R1.21 O=C(O)c1ccc(F)c(F)c1 Amb1218139 [0,1,0,0,0,1|2,0,0]=4 3944 B11R1.21 O=C(O)c1ccc(F)c(F)n1 Amb8390116 [0,1,0,0,0,1|2,0,0]=4 3945 B11R1.21 O=C(O)c1ccc(F)c(I)c1 Amb10841793 [0,1,0,0,0,1|2,0,0]=4 3946 B11R1.21 O=C(O)c1ccc(F)c(O)c1 Amb535709 [0,1,0,0,0,1|2,0,0]=4 3947 B11R1.21 O=C(O)c1ccc(F)c(S)c1 Amb19374986 [0,1,0,0,0,1|2,0,0]=4 3948 B11R1.21 O=C(O)c1ccc(I)c(Br)c1 Amb5722021 [0,1,0,0,0,1|2,0,0]=4 3949 B11R1.21 O=C(O)c1ccc(I)c(Cl)c1 Amb19888183 [0,1,0,0,0,1|2,0,0]=4 3950 B11R1.21 O=C(O)c1ccc(I)c(F)c1 Amb8628766 [0,1,0,0,0,1|2,0,0]=4 3951 B11R1.21 O=C(O)c1ccc(I)c(F)n1 Amb27848254 [0,1,0,0,0,1|2,0,0]=4 3952 B11R1.21 O=C(O)c1ccc(I)c(I)c1 Amb15690596 [0,1,0,0,0,1|2,0,0]=4 3953 B11R1.21 O=C(O)c1ccc(I)c(O)c1 Amb2616716 [0,1,0,0,0,1|2,0,0]=4 3954 B11R1.21 O=C(O)c1ccc(I)c(S)c1 Amb27775191 [0,1,0,0,0,1|2,0,0]=4 3955 B11R1.21 O=C(O)c1ccc(O)c(Br)c1 Amb24061924 [0,1,0,0,0,1|2,0,0]=4 3956 B11R1.21 O=C(O)c1ccc(O)c(Br)c1 Amb34242 [0,1,0,0,0,1|2,0,0]=4 3957 B11R1.21 O=C(O)c1ccc(O)c(Br)n1 Amb8439768 [0,1,0,0,0,1|2,0,0]=4 3958 B11R1.21 O=C(O)c1ccc(O)c(Cl)c1 Amb2721201 [0,1,0,0,0,1|2,0,0]=4 3959 B11R1.21 O=C(O)c1ccc(O)c(Cl)n1 Amb18127134 [0,1,0,0,0,1|2,0,0]=4 3960 B11R1.21 O=C(O)c1ccc(O)c(F)c1 Amb1810752 [0,1,0,0,0,1|2,0,0]=4 3961 B11R1.21 O=C(O)c1ccc(O)c(I)c1 Amb6296256 [0,1,0,0,0,1|2,0,0]=4 3962 B11R1.21 O=C(O)c1ccc(O)c(I)n1 Amb26850461 [0,1,0,0,0,1|2,0,0]=4 3963 B11R1.21 O=C(O)c1ccc(O)c(O)c1 Amb1960218 [0,1,0,0,0,1|2,0,0]=4 3964 B11R1.21 O=C(O)c1ccc(O)c(S)c1 Amb18647318 [0,1,0,0,0,1|2,0,0]=4 3965 B11R1.21 O=C(O)c1ccc(S)c(Br)c1 Amb28323215 [0,1,0,0,0,1|2,0,0]=4 3966 B11R1.21 O=C(O)c1ccc(S)c(Cl)c1 Amb13952299 [0,1,0,0,0,1|2,0,0]=4 3967 B11R1.21 O=C(O)c1ccc(S)c(F)c1 Amb18280497 [0,1,0,0,0,1|2,0,0]=4 3968 B11R1.21 O=C(O)c1ccc(S)c(I)c1 Amb27398203 [0,1,0,0,0,1|2,0,0]=4 3969 B11R1.21 O=C(O)c1ccc(S)c(O)c1 Amb24686672 [0,1,0,0,0,1|2,0,0]=4 3970 B11R1.21 O=C(O)c1cnc(Br)c(Br)c1 Amb2642737 [0,1,0,0,0,1|2,0,0]=4 3971 B11R1.21 O=C(O)c1cnc(Br)c(Cl)c1 Amb18662913 [0,1,0,0,0,1|2,0,0]=4 3972 B11R1.21 O=C(O)c1cnc(Br)c(F)c1 Amb10605789 [0,1,0,0,0,1|2,0,0]=4 3973 B11R1.21 O=C(O)c1cnc(Br)c(O)c1 Amb13881195 [0,1,0,0,0,1|2,0,0]=4 3974 B11R1.21 O=C(O)c1cnc(Cl)c(Br)c1 Amb3427859 [0,1,0,0,0,1|2,0,0]=4 3975 B11R1.21 O=C(O)c1cnc(Cl)c(Br)n1 Amb25149059 [0,1,0,0,0,1|2,0,0]=4 3976 B11R1.21 O=C(O)c1cnc(Cl)c(Cl)c1 Amb1227710 [0,1,0,0,0,1|2,0,0]=4 3977 B11R1.21 O=C(O)c1cnc(Cl)c(Cl)n1 Amb22276161 [0,1,0,0,0,1|2,0,0]=4 3978 B11R1.21 O=C(O)c1cnc(Cl)c(F)c1 Amb18127542 [0,1,0,0,0,1|2,0,0]=4 3979 B11R1.21 O=C(O)c1cnc(Cl)c(I)c1 Amb9677760 [0,1,0,0,0,1|2,0,0]=4 3980 B11R1.21 O=C(O)c1cnc(Cl)c(O)c1 Amb18197853 [0,1,0,0,0,1|2,0,0]=4 3981 B11R1.21 O=C(O)c1cnc(F)c(Br)c1 Amb20241456 [0,1,0,0,0,1|2,0,0]=4 3982 B11R1.21 O=C(O)c1cnc(F)c(Cl)c1 Amb8439421 [0,1,0,0,0,1|2,0,0]=4 3983 B11R1.21 O=C(O)c1cnc(F)c(F)c1 Amb8390112 [0,1,0,0,0,1|2,0,0]=4 3984 B11R1.21 O=C(O)c1cnc(I)c(O)c1 Amb10880793 [0,1,0,0,0,1|2,0,0]=4 3985 B11R1.21 O=C(O)c1cnc(O)c(Cl)c1 Amb2720205 [0,1,0,0,0,1|2,0,0]=4 3986 B11R1.21 O=C(O)c1cnc(O)c(I)c1 Amb22504600 [0,1,0,0,0,1|2,0,0]=4 3987 B11R1.21 O=C(O)c1cnc(O)c(O)n1 Amb18125913 [0,1,0,0,0,1|2,0,0]=4 3988 B11R1.22 C#CC(=O)c1ccc(C)cc1 Amb27617443 [0,1,0,0,0,1|2,0,0]=4 3989 B11R1.22 C#CC(=O)c1ccc(C)cn1 Amb27247579 [0,1,0,0,0,1|2,0,0]=4 3990 B11R1.22 C#CC(=O)c1cnc(C)cn1 Amb28061221 [0,1,0,0,0,1|2,0,0]=4 3991 B11R1.22 C=C(C=O)c1ccc(C)cc1 Amb27211883 [0,1,0,0,0,1|2,0,0]=4 3992 B11R1.22 C=CC(=O)c1ccc(C)cc1 Amb18063916 [0,1,0,0,0,1|2,0,0]=4 3993 B11R1.22 C=CC(=O)c1ccc(C)cn1 Amb26579271 [0,1,0,0,0,1|2,0,0]=4 3994 B11R1.22 C=CC(=O)c1ccc(C)nc1 Amb27258772 [0,1,0,0,0,1|2,0,0]=4 3995 B11R1.22 C=CC(=O)c1cnc(C)cn1 Amb25078163 [0,1,0,0,0,1|2,0,0]=4 3996 B11R1.22 CCC(=O)c1ccc(C)cc1 Amb5740248 [0,1,0,0,0,1|2,0,0]=4 3997 B11R1.22 CCC(=O)c1ccc(C)cn1 Amb22898827 [0,1,0,0,0,1|2,0,0]=4 3998 B11R1.22 CCC(=O)c1ccc(C)nc1 Amb28381139 [0,1,0,0,0,1|2,0,0]=4 3999 B11R1.22 CNC(=O)c1ccc(C)cc1 Amb2721101 [0,1,0,0,0,1|2,0,0]=4 4000 B11R1.22 CNC(=O)c1ccc(C)cn1 Amb25151403 [0,1,0,0,0,1|2,0,0]=4 4001 B11R1.22 COC(=N)c1ccc(C)cc1 Amb22269339 [0,1,0,0,0,1|2,0,0]=4 4002 B11R1.22 COC(=N)c1ccc(C)cc1 Amb28049833 [0,1,0,0,0,1|2,0,0]=4 4003 B11R1.22 COC(=N)c1ccc(C)nc1 Amb28120090 [0,1,0,0,0,1|2,0,0]=4 4004 B11R1.22 COC(=N)c1cnc(C)cn1 Amb29885932 [0,1,0,0,0,1|2,0,0]=4 4005 B11R1.22 COC(=O)C1=CNC(=O)C=C1 Amb18182832 [0,1,0,0,0,1|2,0,0]=4 4006 B11R1.22 COC(=O)C1=CNC(=O)C=C1 Amb19372931 [0,1,0,0,0,1|2,0,0]=4 4007 B11R1.22 COC(=O)C1=CNC(=O)N=C1 Amb21964436 [0,1,0,0,0,1|2,0,0]=4 4008 B11R1.22 COC(=O)C1=COC(=O)C=C1 Amb18796753 [0,1,0,0,0,1|1,1,0]=4 4009 B11R1.22 COC(=O)c1cc[n+](C)cc1 Amb4005009 [0,1,0,0,0,1|2,0,0]=4 4010 B11R1.22 COC(=O)c1ccc(Br)cc1 Amb1394975 [0,1,0,0,0,1|2,0,0]=4 4011 B11R1.22 COC(=O)c1ccc(Br)cn1 Amb6366095 [0,1,0,0,0,1|2,0,0]=4 4012 B11R1.22 COC(=O)c1ccc(Br)nc1 Amb2684085 [0,1,0,0,0,1|2,0,0]=4 4013 B11R1.22 COC(=O)c1ccc(C)cc1 Amb1210121 [0,1,0,0,0,1|1,0,0]=3 4014 B11R1.22 COC(=O)c1ccc(C)cn1 Amb19958650 [0,1,0,0,0,1|1,0,0]=3 4015 B11R1.22 COC(=O)c1ccc(C)nc1 Amb2691851 [0,1,0,0,0,1|1,0,0]=3 4016 B11R1.22 COC(=O)c1ccc(C)nn1 Amb17798484 [0,1,0,0,0,1|2,0,0]=4 4017 B11R1.22 COC(=O)c1ccc(Cl)cc1 Amb2726180 [0,1,0,0,0,1|2,0,0]=4 4018 B11R1.22 COC(=O)c1ccc(Cl)cn1 Amb15695243 [0,1,0,0,0,1|2,0,0]=4 4019 B11R1.22 COC(=O)c1ccc(Cl)cn1 Amb22751028 [0,1,0,0,0,1|2,0,0]=4 4020 B11R1.22 COC(=O)c1ccc(Cl)nc1 Amb2720451 [0,1,0,0,0,1|2,0,0]=4 4021 B11R1.22 COC(=O)c1ccc(F)cc1 Amb2227542 [0,1,0,0,0,1|2,0,0]=4 4022 B11R1.22 COC(=O)c1ccc(F)cn1 Amb19930069 [0,1,0,0,0,1|2,0,0]=4 4023 B11R1.22 COC(=O)c1ccc(F)nc1 Amb8393047 [0,1,0,0,0,1|2,0,0]=4 4024 B11R1.22 COC(=O)c1ccc(I)cc1 Amb2411582 [0,1,0,0,0,1|2,0,0]=4 4025 B11R1.22 COC(=O)c1ccc(I)cn1 Amb4561071 [0,1,0,0,0,1|2,0,0]=4 4026 B11R1.22 COC(=O)c1ccc(I)nc1 Amb22057831 [0,1,0,0,0,1|2,0,0]=4 4027 B11R1.22 COC(=O)c1ccc(N)cc1 Amb1215269 [0,1,0,0,0,1|2,0,0]=4 4028 B11R1.22 COC(=O)c1ccc(N)cc1 Amb2726185 [0,1,0,0,0,1|2,0,0]=4 4029 B11R1.22 COC(=O)c1ccc(N)cn1 Amb10603994 [0,1,0,0,0,1|2,0,0]=4 4030 B11R1.22 COC(=O)c1ccc(N)nc1 Amb2413102 [0,1,0,0,0,1|2,0,0]=4 4031 B11R1.22 COC(=O)c1ccc(O)cc1 Amb534309 [0,1,0,0,0,1|2,0,0]=4 4032 B11R1.22 COC(=O)c1ccc(O)cn1 Amb2236633 [0,1,0,0,0,1|2,0,0]=4 4033 B11R1.22 COC(=O)c1ccc(O)nc1 Amb5638116 [0,1,0,0,0,1|2,0,0]=4 4034 B11R1.22 COC(=O)c1ccc(S)cc1 Amb341395 [0,1,0,0,0,1|2,0,0]=4 4035 B11R1.22 COC(=O)c1ccc(S)nc1 Amb23446717 [0,1,0,0,0,1|2,0,0]=4 4036 B11R1.22 COC(=O)c1ccc([O-])cc1 Amb6296112 [0,1,0,0,0,1|2,0,0]=4 4037 B11R1.22 COC(=O)c1cnc(Br)cn1 Amb10603997 [0,1,0,0,0,1|2,0,0]=4 4038 B11R1.22 COC(=O)c1cnc(Br)nc1 Amb22751737 [0,1,0,0,0,1|2,0,0]=4 4039 B11R1.22 COC(=O)c1cnc(C)cn1 Amb2689525 [0,1,0,0,0,1|1,0,0]=3 4040 B11R1.22 COC(=O)c1cnc(C)nc1 Amb13892051 [0,1,0,0,0,1|1,0,0]=3 4041 B11R1.22 COC(=O)c1cnc(Cl)cn1 Amb8386522 [0,1,0,0,0,1|2,0,0]=4 4042 B11R1.22 COC(=O)c1cnc(Cl)nc1 Amb2725044 [0,1,0,0,0,1|2,0,0]=4 4043 B11R1.22 COC(=O)c1cnc(F)cn1 Amb24096170 [0,1,0,0,0,1|2,0,0]=4 4044 B11R1.22 COC(=O)c1cnc(F)nc1 Amb27872497 [0,1,0,0,0,1|2,0,0]=4 4045 B11R1.22 COC(=O)c1cnc(N)cn1 Amb17608285 [0,1,0,0,0,1|2,0,0]=4 4046 B11R1.22 COC(=O)c1cnc(N)cn1 Amb21960728 [0,1,0,0,0,1|2,0,0]=4 4047 B11R1.22 COC(=O)c1cnc(N)nc1 Amb7172638 [0,1,0,0,0,1|2,0,0]=4 4048 B11R1.22 COC(=O)c1cnc(O)cn1 Amb1093992 [0,1,0,0,0,1|2,0,0]=4 4049 B11R1.22 COC(=O)c1ncc(C)cn1 Amb22304676 [0,1,0,0,0,1|2,0,0]=4 4050 B11R1.22 COS(=O)c1ccc(C)cc1 Amb22230928 [0,1,0,0,0,1|2,0,0]=4 4051 B11R1.22 C[n+]1ccc(C(=O)NO)cc1 Amb4008085 [0,1,0,0,0,1|2,0,0]=4 4052 B11R1.22 C\C(=N/O)c1ccc(C)cc1 Amb6346454 [0,1,0,0,0,1|2,0,0]=4 4053 B11R1.22 C\C(=N\O)c1ccc(C)cc1 Amb4020197 [0,1,0,0,0,1|2,0,0]=4 4054 B11R1.22 Cc1ccc(C(=N)NO)cc1 Amb33715887 [0,1,0,0,0,1|2,0,0]=4 4055 B11R1.22 Cc1ccc(C(=N)NO)cc1 Amb8631025 [0,1,0,0,0,1|2,0,0]=4 4056 B11R1.22 Cc1ccc(C(=O)C#N)cc1 Amb17231996 [0,1,0,0,0,1|2,0,0]=4 4057 B11R1.22 Cc1ccc(C(=O)C=O)cc1 Amb10067935 [0,1,0,0,0,1|1,0,1]=4 4058 B11R1.22 Cc1ccc(C(=O)C=O)cc1 Amb2609863 [0,1,0,0,0,1|1,0,1]=4 4059 B11R1.22 Cc1ccc(C(=O)CBr)cc1 Amb1981331 [0,1,0,0,0,1|2,0,0]=4 4060 B11R1.22 Cc1ccc(C(=O)CBr)cn1 Amb22277086 [0,1,0,0,0,1|2,0,0]=4 4061 B11R1.22 Cc1ccc(C(=O)CBr)nc1 Amb24053939 [0,1,0,0,0,1|2,0,0]=4 4062 B11R1.22 Cc1ccc(C(=O)CCl)cc1 Amb1105496 [0,1,0,0,0,1|2,0,0]=4 4063 B11R1.22 Cc1ccc(C(=O)CCl)cn1 Amb24104209 [0,1,0,0,0,1|2,0,0]=4 4064 B11R1.22 Cc1ccc(C(=O)CCl)nc1 Amb25189273 [0,1,0,0,0,1|2,0,0]=4 4065 B11R1.22 Cc1ccc(C(=O)CF)cc1 Amb24084136 [0,1,0,0,0,1|2,0,0]=4 4066 B11R1.22 Cc1ccc(C(=O)CN)cc1 Amb2693534 [0,1,0,0,0,1|2,0,0]=4 4067 B11R1.22 Cc1ccc(C(=O)CN)cc1 Amb33513193 [0,1,0,0,0,1|2,0,0]=4 4068 B11R1.22 Cc1ccc(C(=O)CN)cc1 Amb5739530 [0,1,0,0,0,1|2,0,0]=4 4069 B11R1.22 Cc1ccc(C(=O)CN)cn1 Amb26546876 [0,1,0,0,0,1|2,0,0]=4 4070 B11R1.22 Cc1ccc(C(=O)CN)nc1 Amb27204900 [0,1,0,0,0,1|2,0,0]=4 4071 B11R1.22 Cc1ccc(C(=O)CO)cc1 Amb5638929 [0,1,0,0,0,1|1,0,0]=3 4072 B11R1.22 Cc1ccc(C(=O)CS)cc1 Amb17400215 [0,1,0,0,0,1|1,1,0]=4 4073 B11R1.22 Cc1ccc(C(=O)C[NH3+])cc1 Amb10606218 [0,1,0,0,0,1|2,0,0]=4 4074 B11R1.22 Cc1ccc(C(=O)NN)cc1 Amb6355393 [0,1,0,0,0,1|2,0,0]=4 4075 B11R1.22 Cc1ccc(C(=O)NN)cn1 Amb1139431 [0,1,0,0,0,1|2,0,0]=4 4076 B11R1.22 Cc1ccc(C(=O)NN)nc1 Amb27663313 [0,1,0,0,0,1|2,0,0]=4 4077 B11R1.22 Cc1ccc(C(=O)NO)cc1 Amb6444120 [0,1,0,0,0,1|1,0,0]=3 4078 B11R1.22 Cc1ccc(C(=O)NO)nc1 Amb25115686 [0,1,0,0,0,1|1,0,0]=3 4079 B11R1.22 Cc1ccc(C(O)C=O)cc1 Amb27458161 [0,1,0,0,0,1|1,0,1]=4 4080 B11R1.22 Cc1ccc(N(O)N=O)cc1 Amb27622782 [0,1,0,0,0,1|2,0,0]=4 4081 B11R1.22 Cc1ccc(S(=O)O[Na])cc1 Amb6365748 [0,1,0,0,0,1|2,0,0]=4 4082 B11R1.22 Cc1ccc(\C(Cl)=N\O)cc1 Amb33998097 [0,1,0,0,0,1|2,0,0]=4 4083 B11R1.22 Cc1ccc(\C(Cl)=N\O)nc1 Amb25357808 [0,1,0,0,0,1|2,0,0]=4 4084 B11R1.22 Cc1ccc(\C(N)=N\O)cc1 Amb33334649 [0,1,0,0,0,1|2,0,0]=4 4085 B11R1.22 Cc1ccc(\C(N)=N\O)cc1 Amb6342700 [0,1,0,0,0,1|2,0,0]=4 4086 B11R1.22 Cc1ccc(\C(N)=N\O)cn1 Amb25893286 [0,1,0,0,0,1|2,0,0]=4 4087 B11R1.22 Cc1ccc(\C(N)=N\O)nc1 Amb22047910 [0,1,0,0,0,1|2,0,0]=4 4088 B11R1.22 Cc1cnc(C(=O)CCl)cn1 Amb33220638 [0,1,0,0,0,1|2,0,0]=4 4089 B11R1.22 Cc1cnc(C(=O)CN)cn1 Amb25732061 [0,1,0,0,0,1|2,0,0]=4 4090 B11R1.22 Cc1cnc(C(=O)NN)cn1 Amb1141131 [0,1,0,0,0,1|2,0,0]=4 4091 B11R1.22 Cc1cnc(C(=O)NO)cn1 Amb27401717 [0,1,0,0,0,1|1,0,0]=3 4092 B11R1.22 Cc1cnc(\C(N)=N\O)cn1 Amb2689667 [0,1,0,0,0,1|2,0,0]=4 4093 B11R1.22 Cc1ncc(C(=O)CBr)cn1 Amb26609275 [0,1,0,0,0,1|2,0,0]=4 4094 B11R1.22 Cc1ncc(C(=O)NN)cn1 Amb17621997 [0,1,0,0,0,1|2,0,0]=4 4095 B11R1.22 Cc1ncc(\C(Cl)=N\O)cn1 Amb28196202 [0,1,0,0,0,1|2,0,0]=4 4096 B11R1.22 NOC(=O)c1ccc(Cl)cc1 Amb24539350 [0,1,0,0,0,1|2,0,0]=4 4097 B11R1.22 Nc1ccc(C(=O)CO)cc1 Amb28255444 [0,1,0,0,0,1|2,0,0]=4 4098 B11R1.22 Nc1ccc(C(=O)NO)cn1 Amb26331544 [0,1,0,0,0,1|2,0,0]=4 4099 B11R1.22 Nc1ccc(C(=O)NO)nc1 Amb26318975 [0,1,0,0,0,1|2,0,0]=4 4100 B11R1.22 O=C(CO)c1ccc(Br)cc1 Amb2726212 [0,1,0,0,0,1|2,0,0]=4 4101 B11R1.22 O=C(CO)c1ccc(Cl)cc1 Amb2736179 [0,1,0,0,0,1|2,0,0]=4 4102 B11R1.22 O=C(CO)c1ccc(F)cc1 Amb2740436 [0,1,0,0,0,1|2,0,0]=4 4103 B11R1.22 O=C(CO)c1ccc(F)cn1 Amb28315278 [0,1,0,0,0,1|2,0,0]=4 4104 B11R1.22 O=C(CO)c1ccc(I)cc1 Amb5638978 [0,1,0,0,0,1|2,0,0]=4 4105 B11R1.22 O=C(NO)c1ccc(Br)cc1 Amb6444119 [0,1,0,0,0,1|2,0,0]=4 4106 B11R1.22 O=C(NO)c1ccc(Br)cn1 Amb26977047 [0,1,0,0,0,1|2,0,0]=4 4107 B11R1.22 O=C(NO)c1ccc(Br)nc1 Amb25935468 [0,1,0,0,0,1|2,0,0]=4 4108 B11R1.22 O=C(NO)c1ccc(Cl)cc1 Amb6264774 [0,1,0,0,0,1|2,0,0]=4 4109 B11R1.22 O=C(NO)c1ccc(Cl)cn1 Amb25704752 [0,1,0,0,0,1|2,0,0]=4 4110 B11R1.22 O=C(NO)c1ccc(Cl)nc1 Amb19929453 [0,1,0,0,0,1|2,0,0]=4 4111 B11R1.22 O=C(NO)c1ccc(F)cc1 Amb6271764 [0,1,0,0,0,1|2,0,0]=4 4112 B11R1.22 O=C(NO)c1ccc(F)cn1 Amb26980721 [0,1,0,0,0,1|2,0,0]=4 4113 B11R1.22 O=C(NO)c1ccc(F)nc1 Amb33035191 [0,1,0,0,0,1|2,0,0]=4 4114 B11R1.22 O=C(NO)c1ccc(I)cc1 Amb7756049 [0,1,0,0,0,1|2,0,0]=4 4115 B11R1.22 O=C(NO)c1cnc(Cl)cn1 Amb27980017 [0,1,0,0,0,1|2,0,0]=4 4116 B11R1.22 O=C1C=CC(C(=O)NO)=CN1 Amb27753127 [0,1,0,0,0,1|2,0,0]=4 4117 B11R1.22 O=C1C=NC(C(=O)NO)=CN1 Amb28458002 [0,1,0,0,0,1|2,0,0]=4 4118 B11R1.22 [CH2]c1ccc(C(=O)OC)cc1 Amb35825242 [0,1,0,0,0,1|1,0,1]=4 4119 B11R1.166 CC(=O)C1=CC=C(C)NC1=O Amb18538199 [0,1,0,0,0,1|2,0,0]=4 4120 B11R1.166 CC(=O)C1=CC=C(C)NC1=S Amb24087719 [0,1,0,0,0,1|2,0,0]=4 4121 B11R1.166 CC(=O)C1=CC=C(C)OC1=O Amb26361317 [0,1,0,0,0,1|1,1,0]=4 4122 B11R1.166 CC(=O)c1ccc(C)cc1Br Amb33549192 [0,1,0,0,0,1|2,0,0]=4 4123 B11R1.166 CC(=O)c1ccc(C)cc1C Amb6356939 [0,1,0,0,0,1|2,0,0]=4 4124 B11R1.166 CC(=O)c1ccc(C)cc1Cl Amb25151553 [0,1,0,0,0,1|2,0,0]=4 4125 B11R1.166 CC(=O)c1ccc(C)cc1F Amb33546811 [0,1,0,0,0,1|2,0,0]=4 4126 B11R1.166 CC(=O)c1ccc(C)cc1N Amb18124989 [0,1,0,0,0,1|2,0,0]=4 4127 B11R1.166 CC(=O)c1ccc(C)cc1O Amb1673131 [0,1,0,0,0,1|2,0,0]=4 4128 B11R1.166 CC(=O)c1ccc(C)nc1Br Amb27642035 [0,1,0,0,0,1|2,0,0]=4 4129 B11R1.166 CC(=O)c1ccc(C)nc1C Amb6254973 [0,1,0,0,0,1|2,0,0]=4 4130 B11R1.166 CC(=O)c1ccc(C)nc1Cl Amb22750725 [0,1,0,0,0,1|2,0,0]=4 4131 B11R1.166 CC(=O)c1ccc(C)nc1N Amb23449578 [0,1,0,0,0,1|2,0,0]=4 4132 B11R1.166 CC(=O)c1cnc(C)cc1C Amb28312990 [0,1,0,0,0,1|2,0,0]=4 4133 B11R1.166 CC(=O)c1cnc(C)cc1Cl Amb10604371 [0,1,0,0,0,1|2,0,0]=4 4134 B11R1.166 CC(=O)c1cnc(C)cc1O Amb18201735 [0,1,0,0,0,1|2,0,0]=4 4135 B11R1.166 CC(=O)c1cnc(C)nc1C Amb18181667 [0,1,0,0,0,1|2,0,0]=4 4136 B11R1.166 CC(=O)c1cnc(C)nc1N Amb27969473 [0,1,0,0,0,1|2,0,0]=4 4137 B11R1.166 CC(=O)c1ncc(C)cc1Br Amb27635041 [0,1,0,0,0,1|2,0,0]=4 4138 B11R1.166 CC(=O)c1ncc(C)cc1C Amb25028058 [0,1,0,0,0,1|2,0,0]=4 4139 B11R1.166 CC(=O)c1ncc(C)cc1F Amb24665729 [0,1,0,0,0,1|2,0,0]=4 4140 B11R1.166 CC(=O)c1ncc(C)cc1N Amb28363937 [0,1,0,0,0,1|2,0,0]=4 4141 B11R1.166 CC(=O)c1ncc(C)cc1O Amb23437583 [0,1,0,0,0,1|2,0,0]=4 4142 B11R1.166 CC(=O)c1ncc(C)nc1C Amb16232451 [0,1,0,0,0,1|2,0,0]=4 4143 B11R1.166 CC1=C(C(=O)O)C=CC(=O)N1 Amb22491681 [0,1,0,0,0,1|2,0,0]=4 4144 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 Amb19516671 [0,1,0,0,0,1|1,0,0]=3 4145 B11R1.166 CC1=CC(=O)C(C(=O)O)=CO1 Amb26381688 [0,1,0,0,0,1|0,1,0]=3 4146 B11R1.166 CC1=CC(=O)C(C(=O)O)=NN1 Amb27231812 [0,1,0,0,0,1|2,0,0]=4 4147 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Amb18125521 [0,1,0,0,0,1|2,0,0]=4 4148 B11R1.166 CC1=CC(=S)NC=C1C(=O)O Amb23446897 [0,1,0,0,0,1|2,0,0]=4 4149 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 Amb18529760 [0,1,0,0,0,1|1,0,0]=3 4150 B11R1.166 CC1=CC=C(C(=O)O)C(=S)N1 Amb19747249 [0,1,0,0,0,1|1,0,0]=3 4151 B11R1.166 CC1=CC=C(C(=O)[O-])C(=O)N1 Amb33512969 [0,1,0,0,0,1|1,0,1]=4 4152 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 Amb18042190 [0,1,0,0,0,1|1,0,0]=3 4153 B11R1.166 C[n+]1cc(S)ccc1C(=O)O Amb2612021 [0,1,0,0,0,1|2,0,0]=4 4154 B11R1.166 Cc1cc(=O)occ1C(=O)O Amb8010070 [0,1,0,0,0,1|1,1,0]=4 4155 B11R1.166 Cc1cc(Br)c(C(=O)O)cn1 Amb22494598 [0,1,0,0,0,1|1,0,0]=3 4156 B11R1.166 Cc1cc(Br)ccc1C(=O)O Amb3939977 [0,1,0,0,0,1|2,0,0]=4 4157 B11R1.166 Cc1cc(Br)cnc1C(=O)O Amb33549168 [0,1,0,0,0,1|2,0,0]=4 4158 B11R1.166 Cc1cc(Br)ncc1C(=O)O Amb23579240 [0,1,0,0,0,1|2,0,0]=4 4159 B11R1.166 Cc1cc(C)c(C(=O)O)cn1 Amb21960081 [0,1,0,0,0,1|1,0,0]=3 4160 B11R1.166 Cc1cc(C)c(C(=O)O)cn1 Amb2609636 [0,1,0,0,0,1|1,0,0]=3 4161 B11R1.166 Cc1cc(C)c(C(N)=O)cn1 Amb2610092 [0,1,0,0,0,1|2,0,0]=4 4162 B11R1.166 Cc1cc(Cl)c(C(=O)O)cn1 Amb10602695 [0,1,0,0,0,1|1,0,0]=3 4163 B11R1.166 Cc1cc(Cl)c(C(N)=O)cn1 Amb23592239 [0,1,0,0,0,1|2,0,0]=4 4164 B11R1.166 Cc1cc(Cl)ccc1C(=O)O Amb2686195 [0,1,0,0,0,1|2,0,0]=4 4165 B11R1.166 Cc1cc(Cl)cnc1C(=O)O Amb10602904 [0,1,0,0,0,1|2,0,0]=4 4166 B11R1.166 Cc1cc(Cl)ncc1C(=O)O Amb19895187 [0,1,0,0,0,1|2,0,0]=4 4167 B11R1.166 Cc1cc(F)ccc1C(=O)O Amb8393513 [0,1,0,0,0,1|2,0,0]=4 4168 B11R1.166 Cc1cc(F)cnc1C(=O)O Amb22750183 [0,1,0,0,0,1|2,0,0]=4 4169 B11R1.166 Cc1cc(F)ncc1C(=O)O Amb13890368 [0,1,0,0,0,1|2,0,0]=4 4170 B11R1.166 Cc1cc(I)ccc1C(=O)O Amb22756850 [0,1,0,0,0,1|2,0,0]=4 4171 B11R1.166 Cc1cc(N)c(C(=O)O)cn1 Amb10602601 [0,1,0,0,0,1|1,0,0]=3 4172 B11R1.166 Cc1cc(N)ccc1C(=O)O Amb8439105 [0,1,0,0,0,1|2,0,0]=4 4173 B11R1.166 Cc1cc(N)cnc1C(=O)O Amb26505843 [0,1,0,0,0,1|2,0,0]=4 4174 B11R1.166 Cc1cc(N)cnc1C(=O)O Amb33620558 [0,1,0,0,0,1|2,0,0]=4 4175 B11R1.166 Cc1cc(N)ncc1C(=O)O Amb16231944 [0,1,0,0,0,1|2,0,0]=4 4176 B11R1.166 Cc1cc(O)c(C(=O)Cl)cn1 Amb24070375 [0,1,0,0,0,1|2,0,0]=4 4177 B11R1.166 Cc1cc(O)c(C(=O)O)cn1 Amb8390913 [0,1,0,0,0,1|1,0,0]=3 4178 B11R1.166 Cc1cc(O)ccc1C(=O)O Amb6297546 [0,1,0,0,0,1|2,0,0]=4 4179 B11R1.166 Cc1cc(O)cnc1C(=O)O Amb23437564 [0,1,0,0,0,1|2,0,0]=4 4180 B11R1.166 Cc1cc(S)ccc1C(=O)O Amb25884179 [0,1,0,0,0,1|2,0,0]=4 4181 B11R1.166 Cc1ccc(C(=O)Cl)c(Br)c1 Amb19891062 [0,1,0,0,0,1|2,0,0]=4 4182 B11R1.166 Cc1ccc(C(=O)Cl)c(C)c1 Amb17773436 [0,1,0,0,0,1|2,0,0]=4 4183 B11R1.166 Cc1ccc(C(=O)Cl)c(Cl)c1 Amb10070857 [0,1,0,0,0,1|2,0,0]=4 4184 B11R1.166 Cc1ccc(C(=O)Cl)c(F)c1 Amb19890528 [0,1,0,0,0,1|2,0,0]=4 4185 B11R1.166 Cc1ccc(C(=O)Cl)c(N)c1 Amb25106699 [0,1,0,0,0,1|2,0,0]=4 4186 B11R1.166 Cc1ccc(C(=O)Cl)c(O)c1 Amb6743396 [0,1,0,0,0,1|2,0,0]=4 4187 B11R1.166 Cc1ccc(C(=O)O)[n+]([O-])c1 Amb25951257 [0,1,0,0,0,1|1,0,0]=3 4188 B11R1.166 Cc1ccc(C(=O)O)c(Br)c1 Amb2685315 [0,1,0,0,0,1|1,0,0]=3 4189 B11R1.166 Cc1ccc(C(=O)O)c(Br)n1 Amb22752846 [0,1,0,0,0,1|1,0,0]=3 4190 B11R1.166 Cc1ccc(C(=O)O)c(C)c1 Amb3940029 [0,1,0,0,0,1|1,0,0]=3 4191 B11R1.166 Cc1ccc(C(=O)O)c(C)n1 Amb6254972 [0,1,0,0,0,1|1,0,0]=3 4192 B11R1.166 Cc1ccc(C(=O)O)c(Cl)c1 Amb10071244 [0,1,0,0,0,1|1,0,0]=3 4193 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 Amb2720217 [0,1,0,0,0,1|1,0,0]=3 4194 B11R1.166 Cc1ccc(C(=O)O)c(F)c1 Amb8396213 [0,1,0,0,0,1|1,0,0]=3 4195 B11R1.166 Cc1ccc(C(=O)O)c(F)n1 Amb24423018 [0,1,0,0,0,1|1,0,0]=3 4196 B11R1.166 Cc1ccc(C(=O)O)c(I)c1 Amb4451333 [0,1,0,0,0,1|1,0,0]=3 4197 B11R1.166 Cc1ccc(C(=O)O)c(N)c1 Amb2726205 [0,1,0,0,0,1|1,0,0]=3 4198 B11R1.166 Cc1ccc(C(=O)O)c(N)c1 Amb32665268 [0,1,0,0,0,1|1,0,0]=3 4199 B11R1.166 Cc1ccc(C(=O)O)c(N)n1 Amb8385706 [0,1,0,0,0,1|1,0,0]=3 4200 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 Amb2691963 [0,1,0,0,0,1|1,0,0]=3 4201 B11R1.166 Cc1ccc(C(=O)O)c(O)n1 Amb2725657 [0,1,0,0,0,1|1,0,0]=3 4202 B11R1.166 Cc1ccc(C(=O)O)c(S)c1 Amb18948052 [0,1,0,0,0,1|1,0,0]=3 4203 B11R1.166 Cc1ccc(C(=O)O)c([O-])c1 Amb8466413 [0,1,0,0,0,1|1,0,0]=3 4204 B11R1.166 Cc1ccc(C(=O)[O-])c(Cl)n1 Amb33513086 [0,1,0,0,0,1|1,0,1]=4 4205 B11R1.166 Cc1ccc(C(N)=O)c(Br)c1 Amb17340166 [0,1,0,0,0,1|2,0,0]=4 4206 B11R1.166 Cc1ccc(C(N)=O)c(Br)n1 Amb25920780 [0,1,0,0,0,1|2,0,0]=4 4207 B11R1.166 Cc1ccc(C(N)=O)c(C)c1 Amb8997749 [0,1,0,0,0,1|2,0,0]=4 4208 B11R1.166 Cc1ccc(C(N)=O)c(Cl)c1 Amb19531831 [0,1,0,0,0,1|2,0,0]=4 4209 B11R1.166 Cc1ccc(C(N)=O)c(Cl)n1 Amb2726022 [0,1,0,0,0,1|2,0,0]=4 4210 B11R1.166 Cc1ccc(C(N)=O)c(F)c1 Amb20667845 [0,1,0,0,0,1|2,0,0]=4 4211 B11R1.166 Cc1ccc(C(N)=O)c(I)c1 Amb23001182 [0,1,0,0,0,1|2,0,0]=4 4212 B11R1.166 Cc1ccc(C(N)=O)c(N)c1 Amb2726241 [0,1,0,0,0,1|2,0,0]=4 4213 B11R1.166 Cc1ccc(C(N)=O)c(N)n1 Amb17065520 [0,1,0,0,0,1|2,0,0]=4 4214 B11R1.166 Cc1ccc(C(N)=O)c(O)c1 Amb1230548 [0,1,0,0,0,1|2,0,0]=4 4215 B11R1.166 Cc1ccc(C(O)=S)c(C)c1 Amb27476311 [0,1,0,0,0,1|1,1,0]=4 4216 B11R1.166 Cc1ccc(S(=O)O)c(C)c1 Amb18563920 [0,1,0,0,0,1|2,0,0]=4 4217 B11R1.166 Cc1ccc(S(=O)O)c(F)c1 Amb35697445 [0,1,0,0,0,1|2,0,0]=4 4218 B11R1.166 Cc1ccc(S(=O)O)c(N)c1 Amb27617293 [0,1,0,0,0,1|2,0,0]=4 4219 B11R1.166 Cc1cnc(C(=O)O)c(Br)c1 Amb19895186 [0,1,0,0,0,1|1,0,0]=3 4220 B11R1.166 Cc1cnc(C(=O)O)c(Br)n1 Amb24361761 [0,1,0,0,0,1|1,0,0]=3 4221 B11R1.166 Cc1cnc(C(=O)O)c(C)c1 Amb19895227 [0,1,0,0,0,1|1,0,0]=3 4222 B11R1.166 Cc1cnc(C(=O)O)c(C)c1 Amb32687534 [0,1,0,0,0,1|1,0,0]=3 4223 B11R1.166 Cc1cnc(C(=O)O)c(C)n1 Amb21856880 [0,1,0,0,0,1|1,0,0]=3 4224 B11R1.166 Cc1cnc(C(=O)O)c(Cl)n1 Amb25922736 [0,1,0,0,0,1|1,0,0]=3 4225 B11R1.166 Cc1cnc(C(=O)O)c(F)c1 Amb22491025 [0,1,0,0,0,1|1,0,0]=3 4226 B11R1.166 Cc1cnc(C(=O)O)c(I)c1 Amb27635502 [0,1,0,0,0,1|1,0,0]=3 4227 B11R1.166 Cc1cnc(C(=O)O)c(N)c1 Amb24691597 [0,1,0,0,0,1|1,0,0]=3 4228 B11R1.166 Cc1cnc(C(=O)O)c(O)c1 Amb23400039 [0,1,0,0,0,1|1,0,0]=3 4229 B11R1.166 Cc1cnc(C(=O)O)c(O)c1 Amb28872322 [0,1,0,0,0,1|1,0,0]=3 4230 B11R1.166 Cc1cnc(C(=O)O)c(O)n1 Amb8009797 [0,1,0,0,0,1|1,0,0]=3 4231 B11R1.166 Cc1cnc(C(=O)O)c(S)c1 Amb27607674 [0,1,0,0,0,1|1,0,0]=3 4232 B11R1.166 Cc1cnc(C(N)=O)c(N)c1 Amb17621457 [0,1,0,0,0,1|2,0,0]=4 4233 B11R1.166 Cc1cnc(C(N)=O)c(O)c1 Amb23403496 [0,1,0,0,0,1|2,0,0]=4 4234 B11R1.166 Cc1nc(Br)ccc1C(=O)O Amb22491682 [0,1,0,0,0,1|2,0,0]=4 4235 B11R1.166 Cc1nc(Br)cnc1C(=O)O Amb25116628 [0,1,0,0,0,1|2,0,0]=4 4236 B11R1.166 Cc1nc(Cl)ccc1C(=O)O Amb21856832 [0,1,0,0,0,1|2,0,0]=4 4237 B11R1.166 Cc1nc(Cl)ncc1C(=O)O Amb16185644 [0,1,0,0,0,1|2,0,0]=4 4238 B11R1.166 Cc1nc(F)ccc1C(=O)O Amb8393045 [0,1,0,0,0,1|2,0,0]=4 4239 B11R1.166 Cc1nc(F)ncc1C(=O)O Amb27229148 [0,1,0,0,0,1|2,0,0]=4 4240 B11R1.166 Cc1nc(I)ccc1C(=O)O Amb23537326 [0,1,0,0,0,1|2,0,0]=4 4241 B11R1.166 Cc1nc(N)ccc1C(=O)O Amb10842138 [0,1,0,0,0,1|2,0,0]=4 4242 B11R1.166 Cc1nc(N)cnc1C(=O)O Amb27603451 [0,1,0,0,0,1|2,0,0]=4 4243 B11R1.166 Cc1nc(N)ncc1C(=O)O Amb2697600 [0,1,0,0,0,1|2,0,0]=4 4244 B11R1.166 Cc1nc(S)ncc1C(=O)O Amb2422986 [0,1,0,0,0,1|2,0,0]=4 4245 B11R1.166 Cc1ncc(C(=O)Cl)c(Cl)n1 Amb33471755 [0,1,0,0,0,1|2,0,0]=4 4246 B11R1.166 Cc1ncc(C(=O)O)c(Br)n1 Amb26373110 [0,1,0,0,0,1|1,0,0]=3 4247 B11R1.166 Cc1ncc(C(=O)O)c(C)n1 Amb841881 [0,1,0,0,0,1|1,0,0]=3 4248 B11R1.166 Cc1ncc(C(=O)O)c(Cl)n1 Amb20171535 [0,1,0,0,0,1|1,0,0]=3 4249 B11R1.166 Cc1ncc(C(=O)O)c(N)n1 Amb2697320 [0,1,0,0,0,1|1,0,0]=3 4250 B11R1.166 Cc1ncc(C(N)=O)c(C)n1 Amb8051179 [0,1,0,0,0,1|2,0,0]=4 4251 B11R1.166 Cc1ncc(C(N)=O)c(Cl)n1 Amb32456073 [0,1,0,0,0,1|2,0,0]=4 4252 B11R1.166 Cc1ncc(C(N)=O)c(O)n1 Amb25151385 [0,1,0,0,0,1|2,0,0]=4 4253 B11R1.166 Cc1nnc(C(=O)O)c(O)n1 Amb26509887 [0,1,0,0,0,1|2,0,0]=4 4254 B11R1.166 NC1=C(C(=O)O)C=NC(=O)N1 Amb22033141 [0,1,0,0,0,1|2,0,0]=4 4255 B11R1.166 NC1=C(C(=O)O)C=NC(=S)N1 Amb20223890 [0,1,0,0,0,1|2,0,0]=4 4256 B11R1.166 NC1=CC(=O)NC=C1C(=O)O Amb18200854 [0,1,0,0,0,1|2,0,0]=4 4257 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 Amb18946360 [0,1,0,0,0,1|2,0,0]=4 4258 B11R1.166 Nc1cc(Br)ccc1C(=O)O Amb6296449 [0,1,0,0,0,1|2,0,0]=4 4259 B11R1.166 Nc1cc(Br)cnc1C(=O)O Amb13889733 [0,1,0,0,0,1|2,0,0]=4 4260 B11R1.166 Nc1cc(Br)cnc1C(=O)O Amb23439154 [0,1,0,0,0,1|2,0,0]=4 4261 B11R1.166 Nc1cc(Cl)c(C(=O)O)cn1 Amb22752803 [0,1,0,0,0,1|2,0,0]=4 4262 B11R1.166 Nc1cc(Cl)ccc1C(=O)O Amb2684369 [0,1,0,0,0,1|2,0,0]=4 4263 B11R1.166 Nc1cc(Cl)cnc1C(=O)O Amb22234450 [0,1,0,0,0,1|2,0,0]=4 4264 B11R1.166 Nc1cc(Cl)cnc1C(=O)O Amb22406105 [0,1,0,0,0,1|2,0,0]=4 4265 B11R1.166 Nc1cc(Cl)ncc1C(=O)O Amb22011717 [0,1,0,0,0,1|2,0,0]=4 4266 B11R1.166 Nc1cc(F)c(C(=O)O)cn1 Amb28251563 [0,1,0,0,0,1|2,0,0]=4 4267 B11R1.166 Nc1cc(F)ccc1C(=O)O Amb1229908 [0,1,0,0,0,1|2,0,0]=4 4268 B11R1.166 Nc1cc(F)ccc1C(=O)O Amb22234003 [0,1,0,0,0,1|2,0,0]=4 4269 B11R1.166 Nc1cc(F)cnc1C(=O)O Amb18830810 [0,1,0,0,0,1|2,0,0]=4 4270 B11R1.166 Nc1cc(F)ncc1C(=O)O Amb26642000 [0,1,0,0,0,1|2,0,0]=4 4271 B11R1.166 Nc1cc(I)ccc1C(=O)O Amb8629779 [0,1,0,0,0,1|2,0,0]=4 4272 B11R1.166 Nc1cc(O)ccc1C(=O)O Amb18125508 [0,1,0,0,0,1|2,0,0]=4 4273 B11R1.166 Nc1ccc(C(=O)O)c(Br)c1 Amb18657903 [0,1,0,0,0,1|2,0,0]=4 4274 B11R1.166 Nc1ccc(C(=O)O)c(Br)c1 Amb33527621 [0,1,0,0,0,1|2,0,0]=4 4275 B11R1.166 Nc1ccc(C(=O)O)c(Cl)c1 Amb10631465 [0,1,0,0,0,1|2,0,0]=4 4276 B11R1.166 Nc1ccc(C(=O)O)c(Cl)c1 Amb845544 [0,1,0,0,0,1|2,0,0]=4 4277 B11R1.166 Nc1ccc(C(=O)O)c(Cl)n1 Amb27803891 [0,1,0,0,0,1|2,0,0]=4 4278 B11R1.166 Nc1ccc(C(=O)O)c(F)c1 Amb3427847 [0,1,0,0,0,1|2,0,0]=4 4279 B11R1.166 Nc1ccc(C(=O)O)c(F)n1 Amb25188766 [0,1,0,0,0,1|2,0,0]=4 4280 B11R1.166 Nc1ccc(C(=O)O)c(I)c1 Amb13953193 [0,1,0,0,0,1|2,0,0]=4 4281 B11R1.166 Nc1ccc(C(=O)O)c(N)c1 Amb18944997 [0,1,0,0,0,1|2,0,0]=4 4282 B11R1.166 Nc1ccc(C(=O)O)c(N)c1 Amb6297656 [0,1,0,0,0,1|2,0,0]=4 4283 B11R1.166 Nc1ccc(C(=O)O)c(N)n1 Amb22755942 [0,1,0,0,0,1|2,0,0]=4 4284 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 Amb1215242 [0,1,0,0,0,1|2,0,0]=4 4285 B11R1.166 Nc1ccc(C(=O)O)c(O)n1 Amb25794144 [0,1,0,0,0,1|2,0,0]=4 4286 B11R1.166 Nc1ccc(C(=O)O)c(S)c1 Amb22330588 [0,1,0,0,0,1|2,0,0]=4 4287 B11R1.166 Nc1cnc(C(=O)O)c(Br)c1 Amb28284919 [0,1,0,0,0,1|2,0,0]=4 4288 B11R1.166 Nc1cnc(C(=O)O)c(Cl)n1 Amb27471834 [0,1,0,0,0,1|2,0,0]=4 4289 B11R1.166 Nc1cnc(C(=O)O)c(F)c1 Amb26644008 [0,1,0,0,0,1|2,0,0]=4 4290 B11R1.166 Nc1cnc(C(=O)O)c(O)c1 Amb27984701 [0,1,0,0,0,1|2,0,0]=4 4291 B11R1.166 Nc1nc(Br)ccc1C(=O)O Amb19958162 [0,1,0,0,0,1|2,0,0]=4 4292 B11R1.166 Nc1nc(Br)ncc1C(=O)O Amb27393646 [0,1,0,0,0,1|2,0,0]=4 4293 B11R1.166 Nc1nc(Cl)ccc1C(=O)O Amb10975244 [0,1,0,0,0,1|2,0,0]=4 4294 B11R1.166 Nc1nc(Cl)cnc1C(=O)O Amb22284587 [0,1,0,0,0,1|2,0,0]=4 4295 B11R1.166 Nc1nc(Cl)ncc1C(=O)O Amb21963270 [0,1,0,0,0,1|2,0,0]=4 4296 B11R1.166 Nc1nc(F)ccc1C(=O)O Amb25893102 [0,1,0,0,0,1|2,0,0]=4 4297 B11R1.166 Nc1nc(O)ccc1C(=O)O Amb24429544 [0,1,0,0,0,1|2,0,0]=4 4298 B11R1.166 Nc1nc(O)ncc1C(=O)O Amb10608123 [0,1,0,0,0,1|2,0,0]=4 4299 B11R1.166 Nc1nc(S)ncc1C(=O)O Amb1788119 [0,1,0,0,0,1|2,0,0]=4 4300 B11R1.166 Nc1ncc(C(=O)O)c(N)n1 Amb22304739 [0,1,0,0,0,1|2,0,0]=4 4301 B11R1.166 O=C(O)C1=CC=C(Cl)NC1=O Amb33548217 [0,1,0,0,0,1|2,0,0]=4 4302 B11R1.166 O=C(O)C1=CC=C(O)NC1=O Amb22235158 [0,1,0,0,0,1|2,0,0]=4 4303 B11R1.166 O=C(O)C1=CNC(=S)NC1=O Amb20572698 [0,1,0,0,0,1|2,0,0]=4 4304 B11R1.166 O=C(O)c1ccc(Br)cc1Br Amb10069353 [0,1,0,0,0,1|2,0,0]=4 4305 B11R1.166 O=C(O)c1ccc(Br)cc1Cl Amb3939978 [0,1,0,0,0,1|2,0,0]=4 4306 B11R1.166 O=C(O)c1ccc(Br)cc1F Amb1229903 [0,1,0,0,0,1|2,0,0]=4 4307 B11R1.166 O=C(O)c1ccc(Br)cc1I Amb16231633 [0,1,0,0,0,1|2,0,0]=4 4308 B11R1.166 O=C(O)c1ccc(Br)cc1O Amb33528931 [0,1,0,0,0,1|2,0,0]=4 4309 B11R1.166 O=C(O)c1ccc(Br)cc1S Amb20622936 [0,1,0,0,0,1|2,0,0]=4 4310 B11R1.166 O=C(O)c1ccc(Br)nc1Br Amb16231966 [0,1,0,0,0,1|2,0,0]=4 4311 B11R1.166 O=C(O)c1ccc(Br)nc1Cl Amb13889829 [0,1,0,0,0,1|2,0,0]=4 4312 B11R1.166 O=C(O)c1ccc(Br)nc1F Amb25790475 [0,1,0,0,0,1|2,0,0]=4 4313 B11R1.166 O=C(O)c1ccc(Br)nc1O Amb26849872 [0,1,0,0,0,1|2,0,0]=4 4314 B11R1.166 O=C(O)c1ccc(Cl)cc1Br Amb2684993 [0,1,0,0,0,1|2,0,0]=4 4315 B11R1.166 O=C(O)c1ccc(Cl)cc1Cl Amb1933216 [0,1,0,0,0,1|2,0,0]=4 4316 B11R1.166 O=C(O)c1ccc(Cl)cc1F Amb1228486 [0,1,0,0,0,1|2,0,0]=4 4317 B11R1.166 O=C(O)c1ccc(Cl)cc1I Amb1125469 [0,1,0,0,0,1|2,0,0]=4 4318 B11R1.166 O=C(O)c1ccc(Cl)cc1O Amb3940316 [0,1,0,0,0,1|2,0,0]=4 4319 B11R1.166 O=C(O)c1ccc(Cl)cc1S Amb18280981 [0,1,0,0,0,1|2,0,0]=4 4320 B11R1.166 O=C(O)c1ccc(Cl)nc1Cl Amb534995 [0,1,0,0,0,1|2,0,0]=4 4321 B11R1.166 O=C(O)c1ccc(Cl)nc1F Amb22234583 [0,1,0,0,0,1|2,0,0]=4 4322 B11R1.166 O=C(O)c1ccc(Cl)nc1O Amb21856158 [0,1,0,0,0,1|2,0,0]=4 4323 B11R1.166 O=C(O)c1ccc(F)cc1Br Amb1228455 [0,1,0,0,0,1|2,0,0]=4 4324 B11R1.166 O=C(O)c1ccc(F)cc1Cl Amb2685948 [0,1,0,0,0,1|2,0,0]=4 4325 B11R1.166 O=C(O)c1ccc(F)cc1F Amb2687071 [0,1,0,0,0,1|2,0,0]=4 4326 B11R1.166 O=C(O)c1ccc(F)cc1I Amb1130134 [0,1,0,0,0,1|2,0,0]=4 4327 B11R1.166 O=C(O)c1ccc(F)cc1O Amb33531195 [0,1,0,0,0,1|2,0,0]=4 4328 B11R1.166 O=C(O)c1ccc(F)cc1S Amb2371919 [0,1,0,0,0,1|2,0,0]=4 4329 B11R1.166 O=C(O)c1ccc(F)nc1Br Amb26855874 [0,1,0,0,0,1|2,0,0]=4 4330 B11R1.166 O=C(O)c1ccc(F)nc1Cl Amb21964648 [0,1,0,0,0,1|2,0,0]=4 4331 B11R1.166 O=C(O)c1ccc(F)nc1F Amb2447583 [0,1,0,0,0,1|2,0,0]=4 4332 B11R1.166 O=C(O)c1ccc(F)nc1I Amb27663272 [0,1,0,0,0,1|2,0,0]=4 4333 B11R1.166 O=C(O)c1ccc(F)nc1O Amb27246860 [0,1,0,0,0,1|2,0,0]=4 4334 B11R1.166 O=C(O)c1ccc(I)cc1Br Amb16231627 [0,1,0,0,0,1|2,0,0]=4 4335 B11R1.166 O=C(O)c1ccc(I)cc1Cl Amb845610 [0,1,0,0,0,1|2,0,0]=4 4336 B11R1.166 O=C(O)c1ccc(I)cc1F Amb8628258 [0,1,0,0,0,1|2,0,0]=4 4337 B11R1.166 O=C(O)c1ccc(I)cc1I Amb25891482 [0,1,0,0,0,1|2,0,0]=4 4338 B11R1.166 O=C(O)c1ccc(I)cc1O Amb33532095 [0,1,0,0,0,1|2,0,0]=4 4339 B11R1.166 O=C(O)c1ccc(I)cc1S Amb25922904 [0,1,0,0,0,1|2,0,0]=4 4340 B11R1.166 O=C(O)c1ccc(O)cc1Br Amb22492055 [0,1,0,0,0,1|2,0,0]=4 4341 B11R1.166 O=C(O)c1ccc(O)cc1Cl Amb19894796 [0,1,0,0,0,1|2,0,0]=4 4342 B11R1.166 O=C(O)c1ccc(O)cc1Cl Amb2720213 [0,1,0,0,0,1|2,0,0]=4 4343 B11R1.166 O=C(O)c1ccc(O)cc1F Amb6296326 [0,1,0,0,0,1|2,0,0]=4 4344 B11R1.166 O=C(O)c1ccc(O)cc1O Amb1934138 [0,1,0,0,0,1|2,0,0]=4 4345 B11R1.166 O=C(O)c1ccc(O)cc1S Amb28068121 [0,1,0,0,0,1|2,0,0]=4 4346 B11R1.166 O=C(O)c1ccc(O)nc1Cl Amb8630411 [0,1,0,0,0,1|2,0,0]=4 4347 B11R1.166 O=C(O)c1ccc(S)cc1Cl Amb18280754 [0,1,0,0,0,1|2,0,0]=4 4348 B11R1.166 O=C(O)c1ccc(S)cc1F Amb25106908 [0,1,0,0,0,1|2,0,0]=4 4349 B11R1.166 O=C(O)c1ccc(S)cc1I Amb26851539 [0,1,0,0,0,1|2,0,0]=4 4350 B11R1.166 O=C(O)c1ccc(S)cc1O Amb26966998 [0,1,0,0,0,1|2,0,0]=4 4351 B11R1.166 O=C(O)c1cnc(Br)cc1Br Amb21963404 [0,1,0,0,0,1|2,0,0]=4 4352 B11R1.166 O=C(O)c1cnc(Br)cc1Cl Amb22728815 [0,1,0,0,0,1|2,0,0]=4 4353 B11R1.166 O=C(O)c1cnc(Br)cc1F Amb22235315 [0,1,0,0,0,1|2,0,0]=4 4354 B11R1.166 O=C(O)c1cnc(Br)cc1I Amb24532489 [0,1,0,0,0,1|2,0,0]=4 4355 B11R1.166 O=C(O)c1cnc(Cl)c[n+]1[O-] Amb27265787 [0,1,0,0,0,1|2,0,0]=4 4356 B11R1.166 O=C(O)c1cnc(Cl)cc1Br Amb22899057 [0,1,0,0,0,1|2,0,0]=4 4357 B11R1.166 O=C(O)c1cnc(Cl)cc1Cl Amb2609523 [0,1,0,0,0,1|2,0,0]=4 4358 B11R1.166 O=C(O)c1cnc(Cl)cc1I Amb25217594 [0,1,0,0,0,1|2,0,0]=4 4359 B11R1.166 O=C(O)c1cnc(Cl)nc1Cl Amb6741470 [0,1,0,0,0,1|2,0,0]=4 4360 B11R1.166 O=C(O)c1cnc(F)cc1Br Amb26965667 [0,1,0,0,0,1|2,0,0]=4 4361 B11R1.166 O=C(O)c1cnc(F)cc1Cl Amb25152836 [0,1,0,0,0,1|2,0,0]=4 4362 B11R1.166 O=C(O)c1cnc(F)cc1F Amb8389954 [0,1,0,0,0,1|2,0,0]=4 4363 B11R1.166 O=C(O)c1cnc(F)cc1I Amb26452579 [0,1,0,0,0,1|2,0,0]=4 4364 B11R1.166 O=C(O)c1cnc(F)cc1O Amb24738558 [0,1,0,0,0,1|2,0,0]=4 4365 B11R1.166 O=C(O)c1cnc(I)cc1F Amb28143180 [0,1,0,0,0,1|2,0,0]=4 4366 B11R1.166 O=C(O)c1cnc(I)cc1O Amb28200537 [0,1,0,0,0,1|2,0,0]=4 4367 B11R1.166 O=C(O)c1cnc(O)cc1Cl Amb21963416 [0,1,0,0,0,1|2,0,0]=4 4368 B11R1.166 O=C(O)c1cnc(O)cc1F Amb26593444 [0,1,0,0,0,1|2,0,0]=4 4369 B11R1.166 O=C(O)c1cnc(O)cc1O Amb2773495 [0,1,0,0,0,1|2,0,0]=4 4370 B11R1.166 O=C(O)c1cnc(O)nc1O Amb2720473 [0,1,0,0,0,1|2,0,0]=4 4371 B11R1.166 O=C(O)c1cnc(O)nc1O Amb6357498 [0,1,0,0,0,1|2,0,0]=4 4372 B11R1.166 O=C(O)c1ncc(Br)cc1Br Amb10602192 [0,1,0,0,0,1|2,0,0]=4 4373 B11R1.166 O=C(O)c1ncc(Br)cc1Cl Amb10842154 [0,1,0,0,0,1|2,0,0]=4 4374 B11R1.166 O=C(O)c1ncc(Br)cc1F Amb10840679 [0,1,0,0,0,1|2,0,0]=4 4375 B11R1.166 O=C(O)c1ncc(Br)cc1O Amb20241848 [0,1,0,0,0,1|2,0,0]=4 4376 B11R1.166 O=C(O)c1ncc(Br)cc1O Amb32680458 [0,1,0,0,0,1|2,0,0]=4 4377 B11R1.166 O=C(O)c1ncc(Br)nc1Cl Amb27404971 [0,1,0,0,0,1|2,0,0]=4 4378 B11R1.166 O=C(O)c1ncc(Cl)cc1Br Amb10842145 [0,1,0,0,0,1|2,0,0]=4 4379 B11R1.166 O=C(O)c1ncc(Cl)cc1Cl Amb2610029 [0,1,0,0,0,1|2,0,0]=4 4380 B11R1.166 O=C(O)c1ncc(Cl)cc1F Amb10840678 [0,1,0,0,0,1|2,0,0]=4 4381 B11R1.166 O=C(O)c1ncc(Cl)cc1O Amb28461116 [0,1,0,0,0,1|2,0,0]=4 4382 B11R1.166 O=C(O)c1ncc(Cl)nc1Cl Amb16185759 [0,1,0,0,0,1|2,0,0]=4 4383 B11R1.166 O=C(O)c1ncc(Cl)nc1O Amb24739841 [0,1,0,0,0,1|2,0,0]=4 4384 B11R1.166 O=C(O)c1ncc(F)cc1Br Amb19895368 [0,1,0,0,0,1|2,0,0]=4 4385 B11R1.166 O=C(O)c1ncc(F)cc1Cl Amb19894424 [0,1,0,0,0,1|2,0,0]=4 4386 B11R1.166 O=C(O)c1ncc(F)cc1F Amb10603657 [0,1,0,0,0,1|2,0,0]=4 4387 B11R1.166 O=C(O)c1ncc(F)cc1I Amb26566279 [0,1,0,0,0,1|2,0,0]=4 4388 B11R1.166 O=C(O)c1ncc(F)cc1O Amb25831206 [0,1,0,0,0,1|2,0,0]=4 4389 B11R1.166 O=C(O)c1ncc(I)cc1F Amb27597460 [0,1,0,0,0,1|2,0,0]=4 4390 B11R1.166 O=C(O)c1ncc(O)cc1Br Amb24356225 [0,1,0,0,0,1|2,0,0]=4 4391 B11R1.166 O=C(O)c1ncc(O)cc1F Amb27668860 [0,1,0,0,0,1|2,0,0]=4 4392 B11R1.166 O=C1C=C(O)C(C(=O)O)=CN1 Amb18200554 [0,1,0,0,0,1|2,0,0]=4 4393 B11R1.166 O=C1C=CC(C(=O)O)=C(Br)N1 Amb26527431 [0,1,0,0,0,1|2,0,0]=4 4394 B11R1.166 O=C1C=CC(C(=O)O)=C(F)N1 Amb25983402 [0,1,0,0,0,1|2,0,0]=4 4395 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 Amb18528739 [0,1,0,0,0,1|2,0,0]=4 4396 B11R1.166 O=C1NC=C(C(=O)O)C(=O)O1 Amb27865669 [0,1,0,0,0,1|1,1,0]=4 4397 B11R1.727 CS1(=O)=NC=C(C(=O)O)C=C1 Amb18647722 [0,1,0,0,0,1|2,0,0]=4 4398 B11R1.39 CCC(=O)Cc1csc(C)c1 Amb27174823 [0,1,0,0,0,1|1,0,0]=3 4399 B11R1.39 CCC(=O)Cc1csc(C)n1 Amb18180220 [0,1,0,0,0,1|2,0,0]=4 4400 B11R1.39 CCC(O)Cc1csc(C)c1 Amb28367109 [0,1,0,0,0,1|1,0,1]=4 4401 B11R1.39 CNC(=O)Cc1csc(C)n1 Amb27235184 [0,1,0,0,0,1|2,0,0]=4 4402 B11R1.39 CNC(=O)Nc1csc(Cl)c1 Amb28129128 [0,1,0,0,0,1|2,0,0]=4 4403 B11R1.39 COC(=O)Cc1cc(C)co1 Amb27963069 [0,1,0,0,0,1|2,0,0]=4 4404 B11R1.39 COC(=O)Cc1cc(C)no1 Amb24182059 [0,1,0,0,0,1|2,0,0]=4 4405 B11R1.39 COC(=O)Cc1cc(C)on1 Amb22886628 [0,1,0,0,0,1|1,1,0]=4 4406 B11R1.39 COC(=O)Cc1ccc(C)o1 Amb26848833 [0,1,0,0,0,1|2,0,0]=4 4407 B11R1.39 COC(=O)Cc1ccc(C)s1 Amb27624459 [0,1,0,0,0,1|2,0,0]=4 4408 B11R1.39 COC(=O)Cc1cnc(C)o1 Amb25208452 [0,1,0,0,0,1|2,0,0]=4 4409 B11R1.39 COC(=O)Cc1cnc(C)s1 Amb22372037 [0,1,0,0,0,1|2,0,0]=4 4410 B11R1.39 COC(=O)Cc1cnn(C)c1 Amb21964116 [0,1,0,0,0,1|2,0,0]=4 4411 B11R1.39 COC(=O)Cc1coc(Br)c1 Amb27245903 [0,1,0,0,0,1|1,1,0]=4 4412 B11R1.39 COC(=O)Cc1coc(C)n1 Amb25317250 [0,1,0,0,0,1|1,1,0]=4 4413 B11R1.39 COC(=O)Cc1csc(Br)n1 Amb17472538 [0,1,0,0,0,1|2,0,0]=4 4414 B11R1.39 COC(=O)Cc1csc(C)n1 Amb535820 [0,1,0,0,0,1|1,0,0]=3 4415 B11R1.39 COC(=O)Cc1csc(Cl)n1 Amb27839928 [0,1,0,0,0,1|2,0,0]=4 4416 B11R1.39 COC(=O)Cc1csc(F)n1 Amb26645577 [0,1,0,0,0,1|2,0,0]=4 4417 B11R1.39 COC(=O)Cc1csc(I)n1 Amb27654116 [0,1,0,0,0,1|2,0,0]=4 4418 B11R1.39 COC(=O)Cc1csc(N)n1 Amb1145427 [0,1,0,0,0,1|2,0,0]=4 4419 B11R1.39 COC(=O)Cc1csc(N)n1 Amb2370478 [0,1,0,0,0,1|2,0,0]=4 4420 B11R1.39 COC(=O)Nc1cnn(C)c1 Amb25086274 [0,1,0,0,0,1|2,0,0]=4 4421 B11R1.39 COC(=O)Oc1cc(C)on1 Amb27423868 [0,1,0,0,0,1|1,1,0]=4 4422 B11R1.39 C\C(=C/c1csc(C)c1)CCl Amb28281953 [0,1,0,0,0,1|2,0,0]=4 4423 B11R1.39 C\C(=C/c1csc(C)c1)CO Amb27629441 [0,1,0,0,0,1|1,0,0]=3 4424 B11R1.39 C\C(=C/c1csc(C)n1)CO Amb27601968 [0,1,0,0,0,1|2,0,0]=4 4425 B11R1.39 C\C(C=O)=C/c1csc(Br)c1 Amb28454438 [0,1,0,0,0,1|2,0,0]=4 4426 B11R1.39 C\C(C=O)=C/c1csc(C)c1 Amb28062026 [0,1,0,0,0,1|1,0,0]=3 4427 B11R1.39 C\C(C=O)=C\c1csc(C)n1 Amb27432576 [0,1,0,0,0,1|2,0,0]=4 4428 B11R1.39 Cc1cc(CC(=O)CN)cs1 Amb24718951 [0,1,0,0,0,1|1,0,0]=3 4429 B11R1.39 Cc1cc(CC(O)C=O)cs1 Amb27840069 [0,1,0,0,0,1|0,0,1]=3 4430 B11R1.39 Cc1cc(CC(O)CN)cs1 Amb27840068 [0,1,0,0,0,1|1,0,1]=4 4431 B11R1.39 Cc1cc(C\C(N)=N\O)cs1 Amb28204481 [0,1,0,0,0,1|1,0,0]=3 4432 B11R1.39 Cc1cc(NC(=O)CO)no1 Amb1110755 [0,1,0,0,0,1|1,1,0]=4 4433 B11R1.39 Cc1ccc(CC(=O)NO)s1 Amb27589624 [0,1,0,0,0,1|2,0,0]=4 4434 B11R1.39 Cc1nc(CC(=O)CN)cs1 Amb24426712 [0,1,0,0,0,1|2,0,0]=4 4435 B11R1.39 Cc1nc(CC(=O)NN)cs1 Amb1152063 [0,1,0,0,0,1|2,0,0]=4 4436 B11R1.39 Cc1nc(C\C(N)=N/O)cs1 Amb10609021 [0,1,0,0,0,1|2,0,0]=4 4437 B11R1.39 Cc1nc(C\C(N)=N\O)cs1 Amb1117191 [0,1,0,0,0,1|2,0,0]=4 4438 B11R1.39 Cc1nc(\C=C(\Cl)C=O)cs1 Amb27204788 [0,1,0,0,0,1|2,0,0]=4 4439 B11R1.39 Cn1cc(OC(=O)CO)cn1 Amb27768198 [0,1,0,0,0,1|2,0,0]=4 4440 B11R1.39 NCC(=O)Cc1csc(Cl)c1 Amb25984353 [0,1,0,0,0,1|2,0,0]=4 4441 B11R1.39 O=CC(O)Cc1csc(Cl)c1 Amb27185680 [0,1,0,0,0,1|1,0,1]=4 4442 B11R1.43 CC(=O)Cc1csc(CN)n1 Amb33307896 [0,1,0,0,0,1|2,0,0]=4 4443 B11R1.43 CCc1cc(CC(=O)O)co1 Amb28368871 [0,1,0,0,0,1|0,1,0]=3 4444 B11R1.43 CCc1cc(CC(=O)O)cs1 Amb18198904 [0,1,0,0,0,1|0,0,0]=2 4445 B11R1.43 CCc1cc(CC(=O)O)no1 Amb24697046 [0,1,0,0,0,1|1,1,0]=4 4446 B11R1.43 CCc1cc(CC(=O)O)on1 Amb18200537 [0,1,0,0,0,1|2,0,0]=4 4447 B11R1.43 CCc1cc(CC(=O)O)sn1 Amb18670577 [0,1,0,0,0,1|2,0,0]=4 4448 B11R1.43 CCc1ccc(CC(=O)O)s1 Amb6273210 [0,1,0,0,0,1|2,0,0]=4 4449 B11R1.43 CCc1cn(CC(=O)O)cn1 Amb24652581 [0,1,0,0,0,1|2,0,0]=4 4450 B11R1.43 CCc1csc(CC(=O)O)c1 Amb18198909 [0,1,0,0,0,1|2,0,0]=4 4451 B11R1.43 CCc1nc(CC(=O)O)co1 Amb17399991 [0,1,0,0,0,1|1,1,0]=4 4452 B11R1.43 CCc1nc(CC(=O)O)cs1 Amb33528759 [0,1,0,0,0,1|1,0,0]=3 4453 B11R1.43 CCc1nc(CC(=O)O)ns1 Amb18198292 [0,1,0,0,0,1|2,0,0]=4 4454 B11R1.43 CCc1nc(NC(C)=O)cs1 Amb27653289 [0,1,0,0,0,1|2,0,0]=4 4455 B11R1.43 CCc1ncc(CC(=O)O)o1 Amb18200529 [0,1,0,0,0,1|2,0,0]=4 4456 B11R1.43 CCc1ncc(CC(=O)O)s1 Amb18254576 [0,1,0,0,0,1|2,0,0]=4 4457 B11R1.43 CCn1cc(CC(=O)O)cn1 Amb18295531 [0,1,0,0,0,1|2,0,0]=4 4458 B11R1.43 COc1cc(CC(=O)O)on1 Amb18200039 [0,1,0,0,0,1|2,0,0]=4 4459 B11R1.43 COc1cc(CC(=O)O)sn1 Amb28143105 [0,1,0,0,0,1|2,0,0]=4 4460 B11R1.43 COc1ccc(CC(=O)O)s1 Amb26844184 [0,1,0,0,0,1|2,0,0]=4 4461 B11R1.43 COc1cn(CC(=O)O)cn1 Amb27848219 [0,1,0,0,0,1|2,0,0]=4 4462 B11R1.43 COc1nc(CC(=O)O)cs1 Amb18825303 [0,1,0,0,0,1|1,0,0]=3 4463 B11R1.43 COc1nc(NC(C)=O)cs1 Amb28401396 [0,1,0,0,0,1|2,0,0]=4 4464 B11R1.43 COc1ncc(CC(=O)O)s1 Amb27176772 [0,1,0,0,0,1|2,0,0]=4 4465 B11R1.43 CS(=O)Cc1csc(CN)c1 Amb35639954 [0,1,0,0,0,1|2,0,0]=4 4466 B11R1.43 CSc1ccc(CC(=O)O)o1 Amb18198325 [0,1,0,0,0,1|2,0,0]=4 4467 B11R1.43 CSc1ccc(CC(=O)O)s1 Amb18188761 [0,1,0,0,0,1|2,0,0]=4 4468 B11R1.43 CSc1nc(CC(=O)O)cs1 Amb13881402 [0,1,0,0,0,1|1,0,0]=3 4469 B11R1.43 CSc1ncc(CC(=O)O)s1 Amb28245998 [0,1,0,0,0,1|2,0,0]=4 4470 B11R1.43 NCc1cc(CC(=O)O)no1 Amb25335354 [0,1,0,0,0,1|1,1,0]=4 4471 B11R1.43 NCc1ccc(CC(=O)O)s1 Amb24711379 [0,1,0,0,0,1|2,0,0]=4 4472 B11R1.43 NCc1ccc(CC(=O)O)s1 Amb32992260 [0,1,0,0,0,1|2,0,0]=4 4473 B11R1.43 NCc1nc(CC(=O)O)co1 Amb18064193 [0,1,0,0,0,1|1,1,0]=4 4474 B11R1.43 NCc1nc(CC(=O)O)cs1 Amb30584663 [0,1,0,0,0,1|1,0,0]=3 4475 B11R1.43 NCc1nc(CC(=O)O)cs1 Amb5754335 [0,1,0,0,0,1|1,0,0]=3 4476 B11R1.43 NCc1nc(CC(N)=O)cs1 Amb18270799 [0,1,0,0,0,1|2,0,0]=4 4477 B11R1.43 O=C(O)Cc1cc(CO)co1 Amb27959070 [0,1,0,0,0,1|2,0,0]=4 4478 B11R1.43 O=C(O)Cc1ccc(CBr)s1 Amb27606115 [0,1,0,0,0,1|2,0,0]=4 4479 B11R1.43 O=C(O)Cc1ccc(CS)o1 Amb26047785 [0,1,0,0,0,1|2,0,0]=4 4480 B11R1.43 O=C(O)Cc1ccc(CS)s1 Amb32788143 [0,1,0,0,0,1|2,0,0]=4 4481 B11R1.43 O=C(O)Cc1cnc(CF)o1 Amb27777413 [0,1,0,0,0,1|2,0,0]=4 4482 B11R1.43 O=C(O)Cc1cnc(CF)s1 Amb27229303 [0,1,0,0,0,1|2,0,0]=4 4483 B11R1.43 O=C(O)Cc1csc(CF)n1 Amb27842413 [0,1,0,0,0,1|1,0,0]=3 4484 B11R1.43 O=C(O)Cc1csc(CO)n1 Amb18647723 [0,1,0,0,0,1|1,0,0]=3 4485 B11R1.43 O=Cc1cc(CC(=O)O)co1 Amb28292836 [0,1,0,0,0,1|0,1,1]=4 4486 B11R1.76 Cc1cc(CS(=O)(=O)Cl)cs1 Amb27652197 [0,1,0,0,0,1|1,0,1]=4 4487 B11R1.76 Cc1nc(CS(=O)(=O)O)cs1 Amb22551863 [0,1,0,0,0,1|2,0,0]=4 4488 B11R1.80 CC1=C\C(=C/C(=O)O)CC1=O Amb28342299 [0,1,0,0,0,1|1,0,1]=4 4489 B11R1.80 CC1=C\C(=C\C(=O)O)OC1=O Amb28429388 [0,1,0,0,0,1|2,0,0]=4 4490 B11R1.80 Cc1cc(CC(=O)O)cn1C Amb18201137 [0,1,0,0,0,1|1,0,0]=3 4491 B11R1.80 Cc1cc(CC(=O)O)nn1C Amb17232130 [0,1,0,0,0,1|2,0,0]=4 4492 B11R1.80 Cc1cc(CC(=O)O)sc1C Amb28343125 [0,1,0,0,0,1|2,0,0]=4 4493 B11R1.80 Cc1nc(CC(=O)O)cn1C Amb18562813 [0,1,0,0,0,1|2,0,0]=4 4494 B11R1.80 Cc1oc(CC(=O)O)cc1N Amb18830914 [0,1,0,0,0,1|2,0,0]=4 4495 B11R1.80 Cc1sc(CC(=O)O)cc1Br Amb25790421 [0,1,0,0,0,1|2,0,0]=4 4496 B11R1.313 CN1C(=O)SC=C1CC(=O)O Amb18534616 [0,1,0,0,0,1|2,0,0]=4 4497 B11R1.313 CN1NC=C(CC(=O)O)C1=O Amb25253777 [0,1,0,0,0,1|2,0,0]=4 4498 B11R1.313 Cc1c(CC(=O)O)ccn1C Amb18201122 [0,1,0,0,0,1|2,0,0]=4 4499 B11R1.313 Cc1c(CC(=O)O)cnn1C Amb18200820 [0,1,0,0,0,1|2,0,0]=4 4500 B11R1.313 Cc1ccc(CC(=O)O)n1C Amb18201107 [0,1,0,0,0,1|2,0,0]=4 4501 B11R1.313 Cc1csc(CC(=O)O)c1Br Amb33435385 [0,1,0,0,0,1|2,0,0]=4 4502 B11R1.313 Cc1ncc(CC(=O)O)n1C Amb8011527 [0,1,0,0,0,1|2,0,0]=4 4503 B11R1.313 Cc1ncn(CC(=O)O)c1C Amb22587472 [0,1,0,0,0,1|2,0,0]=4 4504 B11R1.313 Cc1ncn(CC(=O)O)c1C Amb8011455 [0,1,0,0,0,1|2,0,0]=4 4505 B11R1.313 Cc1noc(CC(=O)O)c1Br Amb23592261 [0,1,0,0,0,1|2,0,0]=4 4506 B11R1.313 Cc1onc(CC(=O)O)c1C Amb18830922 [0,1,0,0,0,1|1,1,0]=4 4507 B11R1.313 Cc1snc(CC(=O)O)c1C Amb18825430 [0,1,0,0,0,1|1,0,0]=3 4508 B11R1.313 Cn1ccc(CC(=O)O)c1N Amb18200765 [0,1,0,0,0,1|2,0,0]=4 4509 B11R1.313 Cn1ncc(CC(=O)O)c1Br Amb28368599 [0,1,0,0,0,1|2,0,0]=4 4510 B11R1.313 Cn1ncc(CC(=O)O)c1O Amb27408290 [0,1,0,0,0,1|2,0,0]=4 4511 B11R1.314 C=C(C(=O)O)c1cc(C)cs1 Amb33427139 [0,1,0,0,0,1|2,0,0]=4 4512 B11R1.314 C=C(C(=O)O)c1cc(C)no1 Amb33224450 [0,1,0,0,0,1|2,0,0]=4 4513 B11R1.314 C=C(C(=O)O)c1cc(C)on1 Amb33316706 [0,1,0,0,0,1|1,1,0]=4 4514 B11R1.314 C=C(C(=O)O)c1ccc(C)o1 Amb33317916 [0,1,0,0,0,1|2,0,0]=4 4515 B11R1.314 C=C(C(=O)O)c1ccc(C)s1 Amb33375456 [0,1,0,0,0,1|2,0,0]=4 4516 B11R1.314 C=C(C(=O)O)c1ccn(C)c1 Amb18065340 [0,1,0,0,0,1|2,0,0]=4 4517 B11R1.314 C=C(C(=O)O)c1cnc(C)s1 Amb33148492 [0,1,0,0,0,1|2,0,0]=4 4518 B11R1.314 C=C(C(=O)O)c1csc(Br)c1 Amb33433262 [0,1,0,0,0,1|1,0,0]=3 4519 B11R1.314 C=C(C(=O)O)c1csc(Br)n1 Amb33335431 [0,1,0,0,0,1|2,0,0]=4 4520 B11R1.314 C=C(C(=O)O)c1csc(C)n1 Amb33415361 [0,1,0,0,0,1|1,0,0]=3 4521 B11R1.314 C=C(C)C(N)c1csc(C)c1 Amb27211855 [0,1,0,0,0,1|2,0,0]=4 4522 B11R1.314 C=C(C)C(O)c1csc(C)c1 Amb28281252 [0,1,0,0,0,1|2,0,0]=4 4523 B11R1.314 CC(C(=O)O)c1ccn(C)c1 Amb18563453 [0,1,0,0,0,1|2,0,0]=4 4524 B11R1.314 CC(C(=O)O)c1cnn(C)c1 Amb18285898 [0,1,0,0,0,1|2,0,0]=4 4525 B11R1.314 CC(C(=O)O)c1csc(Br)c1 Amb33432822 [0,1,0,0,0,1|1,0,0]=3 4526 B11R1.314 CC(C(=O)O)c1csc(Br)n1 Amb18732852 [0,1,0,0,0,1|2,0,0]=4 4527 B11R1.314 CC(C(=O)O)c1csc(Cl)c1 Amb26926803 [0,1,0,0,0,1|1,0,0]=3 4528 B11R1.314 CC(C(=O)O)c1csc(N)n1 Amb27653606 [0,1,0,0,0,1|2,0,0]=4 4529 B11R1.314 Cc1cc(C(=O)C(=O)O)no1 Amb33317109 [0,1,0,0,0,1|1,1,0]=4 4530 B11R1.314 Cc1cc(C(=O)C(=O)O)on1 Amb18830935 [0,1,0,0,0,1|2,0,0]=4 4531 B11R1.314 Cc1cc(C(C)C(=O)O)co1 Amb32713186 [0,1,0,0,0,1|0,1,0]=3 4532 B11R1.314 Cc1cc(C(C)C(=O)O)cs1 Amb18198906 [0,1,0,0,0,1|0,0,0]=2 4533 B11R1.314 Cc1cc(C(C)C(=O)O)no1 Amb33317126 [0,1,0,0,0,1|1,1,0]=4 4534 B11R1.314 Cc1cc(C(C)C(=O)O)on1 Amb33327226 [0,1,0,0,0,1|2,0,0]=4 4535 B11R1.314 Cc1cc(C(C)C(=O)O)sn1 Amb18198593 [0,1,0,0,0,1|2,0,0]=4 4536 B11R1.314 Cc1cc(C(C)C(C)O)cs1 Amb25891037 [0,1,0,0,0,1|1,0,1]=4 4537 B11R1.314 Cc1cc(C(F)C(=O)O)co1 Amb32713190 [0,1,0,0,0,1|0,1,0]=3 4538 B11R1.314 Cc1cc(C(F)C(=O)O)cs1 Amb24513747 [0,1,0,0,0,1|0,0,0]=2 4539 B11R1.314 Cc1cc(C(F)C(=O)O)sn1 Amb26034944 [0,1,0,0,0,1|2,0,0]=4 4540 B11R1.314 Cc1cc(C(N)C(=O)O)no1 Amb24487921 [0,1,0,0,0,1|1,1,0]=4 4541 B11R1.314 Cc1cc(C(N)C(=O)O)on1 Amb18200262 [0,1,0,0,0,1|2,0,0]=4 4542 B11R1.314 Cc1cc(C(N)C(C)O)cs1 Amb28423369 [0,1,0,0,0,1|1,0,1]=4 4543 B11R1.314 Cc1cc(C(N)C(N)=O)cs1 Amb27188085 [0,1,0,0,0,1|1,0,0]=3 4544 B11R1.314 Cc1cc(C(O)C(=O)O)no1 Amb33317108 [0,1,0,0,0,1|1,1,0]=4 4545 B11R1.314 Cc1cc(C(O)C(=O)O)on1 Amb33327209 [0,1,0,0,0,1|2,0,0]=4 4546 B11R1.314 Cc1cc([C@@H](N)C(=O)O)cs1 Amb27170528 [0,1,0,0,0,1|0,0,0]=2 4547 B11R1.314 Cc1cc([C@@H](N)[C@@H](C)O)cs1 Amb27654824 [0,1,0,0,0,1|1,0,1]=4 4548 B11R1.314 Cc1ccc(C(=O)C(=O)O)o1 Amb28348891 [0,1,0,0,0,1|2,0,0]=4 4549 B11R1.314 Cc1ccc(C(=O)C(=O)O)s1 Amb8834289 [0,1,0,0,0,1|2,0,0]=4 4550 B11R1.314 Cc1ccc(C(C)C(=O)O)o1 Amb18952039 [0,1,0,0,0,1|2,0,0]=4 4551 B11R1.314 Cc1ccc(C(C)C(=O)O)s1 Amb18282545 [0,1,0,0,0,1|2,0,0]=4 4552 B11R1.314 Cc1ccc(C(F)C(=O)O)s1 Amb25788047 [0,1,0,0,0,1|2,0,0]=4 4553 B11R1.314 Cc1ccc(C(N)C(=O)O)s1 Amb3941901 [0,1,0,0,0,1|2,0,0]=4 4554 B11R1.314 Cc1ccc(C(O)C(=O)O)o1 Amb18200290 [0,1,0,0,0,1|2,0,0]=4 4555 B11R1.314 Cc1ccc(C(O)C(=O)O)s1 Amb18953617 [0,1,0,0,0,1|2,0,0]=4 4556 B11R1.314 Cc1ccc([C@@H](N)C(=O)O)o1 Amb28291367 [0,1,0,0,0,1|2,0,0]=4 4557 B11R1.314 Cc1cn(C(C)C(=O)O)cn1 Amb18254946 [0,1,0,0,0,1|2,0,0]=4 4558 B11R1.314 Cc1coc(C(C)C(=O)O)c1 Amb32712002 [0,1,0,0,0,1|2,0,0]=4 4559 B11R1.314 Cc1coc(C(F)C(=O)O)c1 Amb32712003 [0,1,0,0,0,1|2,0,0]=4 4560 B11R1.314 Cc1csc(C(=O)C(=O)O)c1 Amb33427982 [0,1,0,0,0,1|2,0,0]=4 4561 B11R1.314 Cc1csc(C(C)C(=O)O)c1 Amb33427997 [0,1,0,0,0,1|2,0,0]=4 4562 B11R1.314 Cc1csc(C(N)C(=O)O)c1 Amb18198604 [0,1,0,0,0,1|2,0,0]=4 4563 B11R1.314 Cc1csc(C(O)C(=O)O)c1 Amb33427980 [0,1,0,0,0,1|2,0,0]=4 4564 B11R1.314 Cc1csc([C@@H](N)C(=O)O)c1 Amb28457716 [0,1,0,0,0,1|2,0,0]=4 4565 B11R1.314 Cc1nc(C(=O)C(=O)O)cs1 Amb18198677 [0,1,0,0,0,1|1,0,0]=3 4566 B11R1.314 Cc1nc(C(Br)C(=O)O)cs1 Amb27439361 [0,1,0,0,0,1|1,0,0]=3 4567 B11R1.314 Cc1nc(C(C)C(=O)O)co1 Amb18200520 [0,1,0,0,0,1|1,1,0]=4 4568 B11R1.314 Cc1nc(C(C)C(=O)O)cs1 Amb18825432 [0,1,0,0,0,1|1,0,0]=3 4569 B11R1.314 Cc1nc(C(Cl)C(N)=O)cs1 Amb27786752 [0,1,0,0,0,1|2,0,0]=4 4570 B11R1.314 Cc1nc(C(F)C(=O)O)cs1 Amb28195933 [0,1,0,0,0,1|1,0,0]=3 4571 B11R1.314 Cc1nc(C(N)C(=O)O)ns1 Amb18198054 [0,1,0,0,0,1|2,0,0]=4 4572 B11R1.314 Cc1nc(C(O)C(N)=O)cs1 Amb28322574 [0,1,0,0,0,1|2,0,0]=4 4573 B11R1.314 Cc1ncc(C(=O)C(=O)O)s1 Amb18198674 [0,1,0,0,0,1|2,0,0]=4 4574 B11R1.314 Cc1ncc(C(C)C(=O)O)s1 Amb18198592 [0,1,0,0,0,1|2,0,0]=4 4575 B11R1.314 Cc1ncc(C(F)C(=O)O)s1 Amb32713454 [0,1,0,0,0,1|2,0,0]=4 4576 B11R1.314 Cc1ncc(C(N)C(=O)O)s1 Amb18198323 [0,1,0,0,0,1|2,0,0]=4 4577 B11R1.314 Cc1ncc(C(O)C(=O)O)s1 Amb18198073 [0,1,0,0,0,1|2,0,0]=4 4578 B11R1.314 Cn1cc(C(=O)C(=O)O)cn1 Amb6258817 [0,1,0,0,0,1|2,0,0]=4 4579 B11R1.314 Cn1cc(C(F)C(=O)O)cn1 Amb26354572 [0,1,0,0,0,1|2,0,0]=4 4580 B11R1.314 Cn1cc(C(N)C(=O)O)cn1 Amb32652881 [0,1,0,0,0,1|2,0,0]=4 4581 B11R1.314 Cn1cc(C(N)C(=O)O)cn1 Amb9752541 [0,1,0,0,0,1|2,0,0]=4 4582 B11R1.314 Cn1cc(C(O)C(=O)O)cn1 Amb18282017 [0,1,0,0,0,1|2,0,0]=4 4583 B11R1.314 Cn1cc(C(O)C(=O)O)cn1 Amb33172806 [0,1,0,0,0,1|2,0,0]=4 4584 B11R1.314 Cn1ccc(C(=O)C(=O)O)c1 Amb18065387 [0,1,0,0,0,1|2,0,0]=4 4585 B11R1.314 Cn1ccc(C(Cl)C(=O)O)c1 Amb18564001 [0,1,0,0,0,1|2,0,0]=4 4586 B11R1.314 Cn1ccc(C(N)C(=O)O)c1 Amb18224355 [0,1,0,0,0,1|2,0,0]=4 4587 B11R1.314 Cn1ccc(C(O)C(=O)O)c1 Amb18862518 [0,1,0,0,0,1|2,0,0]=4 4588 B11R1.314 NC(C(=O)O)c1coc(Br)c1 Amb27839865 [0,1,0,0,0,1|1,1,0]=4 4589 B11R1.314 NC(C(=O)O)c1coc(O)c1 Amb27644666 [0,1,0,0,0,1|1,1,0]=4 4590 B11R1.314 NC(C(=O)O)c1csc(Br)c1 Amb26889283 [0,1,0,0,0,1|1,0,0]=3 4591 B11R1.314 NC(C(=O)O)c1csc(Br)n1 Amb32680734 [0,1,0,0,0,1|2,0,0]=4 4592 B11R1.314 NC(C(=O)O)c1csc(Cl)c1 Amb26075704 [0,1,0,0,0,1|1,0,0]=3 4593 B11R1.314 Nc1nc(C(=O)C(=O)O)cs1 Amb8390753 [0,1,0,0,0,1|2,0,0]=4 4594 B11R1.314 Nc1nc(C(O)C(=O)O)cs1 Amb27222325 [0,1,0,0,0,1|2,0,0]=4 4595 B11R1.314 O=C(O)C(=O)c1csc(Br)c1 Amb33432555 [0,1,0,0,0,1|1,0,0]=3 4596 B11R1.314 O=C(O)C(=O)c1csc(Br)n1 Amb33336571 [0,1,0,0,0,1|2,0,0]=4 4597 B11R1.314 O=C(O)C(O)c1csc(Br)c1 Amb26879640 [0,1,0,0,0,1|1,0,0]=3 4598 B11R1.314 O=C(O)C(O)c1csc(Br)n1 Amb33336574 [0,1,0,0,0,1|2,0,0]=4 4599 B11R1.645 CC(=O)Cc1cc(C)oc1C Amb33141087 [0,1,0,0,0,1|1,1,0]=4 4600 B11R1.645 CC(=O)Cc1cc(C)sc1C Amb25723240 [0,1,0,0,0,1|1,0,0]=3 4601 B11R1.645 CC(=O)Nc1nc(C)sc1C Amb28365004 [0,1,0,0,0,1|2,0,0]=4 4602 B11R1.645 CC(=O)Sc1cc(C)oc1C Amb26425802 [0,1,0,0,0,1|1,1,0]=4 4603 B11R1.645 CC1=CN(CC(=O)O)C(=O)S1 Amb18286707 [0,1,0,0,0,1|1,0,0]=3 4604 B11R1.645 CN1C=C(CC(=O)O)C(=O)N1 Amb27778644 [0,1,0,0,0,1|2,0,0]=4 4605 B11R1.645 Cc1cc(Br)c(CC(=O)O)s1 Amb27869395 [0,1,0,0,0,1|2,0,0]=4 4606 B11R1.645 Cc1cc(C)c(CC(=O)O)o1 Amb18831041 [0,1,0,0,0,1|2,0,0]=4 4607 B11R1.645 Cc1cc(C)c(CC(=O)O)s1 Amb26848561 [0,1,0,0,0,1|2,0,0]=4 4608 B11R1.645 Cc1cc(C=C(Br)Br)c(C)s1 Amb27594143 [0,1,0,0,0,1|2,0,0]=4 4609 B11R1.645 Cc1cc(CC(=N)N)c(C)s1 Amb33149517 [0,1,0,0,0,1|2,0,0]=4 4610 B11R1.645 Cc1cc(CC(=O)O)c(Br)s1 Amb18740680 [0,1,0,0,0,1|0,0,0]=2 4611 B11R1.645 Cc1cc(CC(=O)O)c(C)o1 Amb18125679 [0,1,0,0,0,1|0,1,0]=3 4612 B11R1.645 Cc1cc(CC(=O)O)c(C)s1 Amb33530088 [0,1,0,0,0,1|0,0,0]=2 4613 B11R1.645 Cc1cc(CC(=O)O)c(F)s1 Amb18197651 [0,1,0,0,0,1|0,0,0]=2 4614 B11R1.645 Cc1cc(CC(=O)O)c(N)s1 Amb18198602 [0,1,0,0,0,1|0,0,0]=2 4615 B11R1.645 Cc1cc(CC(=O)O)n(C)n1 Amb19148969 [0,1,0,0,0,1|2,0,0]=4 4616 B11R1.645 Cc1cc(CC(=O)O)n(C)n1 Amb33741738 [0,1,0,0,0,1|2,0,0]=4 4617 B11R1.645 Cc1cc(CC(C)O)c(C)s1 Amb33266355 [0,1,0,0,0,1|1,0,1]=4 4618 B11R1.645 Cc1cc(CC(N)=S)c(C)s1 Amb33149516 [0,1,0,0,0,1|1,1,0]=4 4619 B11R1.645 Cc1cc(CN(C)O)c(C)s1 Amb33266382 [0,1,0,0,0,1|2,0,0]=4 4620 B11R1.645 Cc1cc(C[C@@H](C)O)c(C)s1 Amb33472652 [0,1,0,0,0,1|1,0,1]=4 4621 B11R1.645 Cc1cc(C[C@H](C)O)c(C)s1 Amb33472653 [0,1,0,0,0,1|1,0,1]=4 4622 B11R1.645 Cc1cc(C[N+](=O)[O-])c(C)s1 Amb33472311 [0,1,0,0,0,1|1,0,1]=4 4623 B11R1.645 Cc1cc(N)c(CC(=O)O)s1 Amb18825425 [0,1,0,0,0,1|2,0,0]=4 4624 B11R1.645 Cc1cn(CC(=O)O)c(C)n1 Amb18254954 [0,1,0,0,0,1|2,0,0]=4 4625 B11R1.645 Cc1cn(CC(=O)O)c(O)n1 Amb35597220 [0,1,0,0,0,1|2,0,0]=4 4626 B11R1.645 Cc1nc(C)c(CC(=O)O)o1 Amb17399990 [0,1,0,0,0,1|2,0,0]=4 4627 B11R1.645 Cc1nc(C)c(CC(=O)O)s1 Amb2610770 [0,1,0,0,0,1|2,0,0]=4 4628 B11R1.645 Cc1nc(C)c(CC(=O)O)s1 Amb32680327 [0,1,0,0,0,1|2,0,0]=4 4629 B11R1.645 Cc1nc(CC(=O)O)c(C)o1 Amb5732163 [0,1,0,0,0,1|1,1,0]=4 4630 B11R1.645 Cc1nc(CC(=O)O)c(C)s1 Amb2726275 [0,1,0,0,0,1|1,0,0]=3 4631 B11R1.645 Cc1nc(CC(=O)O)c(O)o1 Amb24403748 [0,1,0,0,0,1|1,1,0]=4 4632 B11R1.645 Cc1nc(Cl)c(CC(=O)O)s1 Amb18816866 [0,1,0,0,0,1|2,0,0]=4 4633 B11R1.645 Cc1nc(O)c(CC(=O)O)s1 Amb25854264 [0,1,0,0,0,1|2,0,0]=4 4634 B11R1.645 Cc1nn(C)cc1CC(=O)O Amb16186951 [0,1,0,0,0,1|2,0,0]=4 4635 B11R1.645 Cc1oc(N)cc1CC(=O)O Amb18830915 [0,1,0,0,0,1|1,1,0]=4 4636 B11R1.645 Cc1sc(Br)cc1CC(=O)O Amb25938809 [0,1,0,0,0,1|1,0,0]=3 4637 B11R1.645 Cc1sc(Br)nc1CC(=O)O Amb18158935 [0,1,0,0,0,1|2,0,0]=4 4638 B11R1.645 Cc1sc(N)cc1CC(=O)O Amb18198590 [0,1,0,0,0,1|1,0,0]=3 4639 B11R1.645 Cc1sc(N)nc1CC(=O)O Amb24532960 [0,1,0,0,0,1|2,0,0]=4 4640 B11R1.645 Cc1sc(O)nc1CC(=O)O Amb18198070 [0,1,0,0,0,1|2,0,0]=4 4641 B11R1.645 Cn1cc(CC(=O)O)c(Cl)n1 Amb25150753 [0,1,0,0,0,1|2,0,0]=4 4642 B11R1.645 NC(=O)Cc1cc(Cl)sc1Cl Amb4010906 [0,1,0,0,0,1|2,0,0]=4 4643 B11R1.645 Nc1nc(CC(=O)O)c(Br)s1 Amb27966283 [0,1,0,0,0,1|2,0,0]=4 4644 B11R1.645 Nc1nc(CC(=O)O)c(F)s1 Amb28435368 [0,1,0,0,0,1|2,0,0]=4 4645 B11R1.645 O=C(O)CC1=CC(=O)OC1=O Amb3940406 [0,1,0,0,0,1|1,1,0]=4 4646 B11R1.645 O=C(O)CN1C=C(Br)SC1=O Amb28318241 [0,1,0,0,0,1|2,0,0]=4 4647 B11R1.645 O=C(O)Cc1cc(Br)sc1Br Amb33017135 [0,1,0,0,0,1|1,0,0]=3 4648 B11R1.645 O=C(O)Cc1cc(Cl)sc1Cl Amb25149126 [0,1,0,0,0,1|1,0,0]=3 4649 B11R1.23 C#CC(=O)c1cc(C)ccn1 Amb27823144 [0,1,0,0,0,1|2,0,0]=4 4650 B11R1.23 C=CC(=O)c1cc(C)ccn1 Amb27479804 [0,1,0,0,0,1|2,0,0]=4 4651 B11R1.23 C=CC(=O)c1cccc(C)c1 Amb25861091 [0,1,0,0,0,1|2,0,0]=4 4652 B11R1.23 C=CC(=O)c1ccnc(C)c1 Amb27452440 [0,1,0,0,0,1|2,0,0]=4 4653 B11R1.23 C=CC(=O)c1cncc(C)c1 Amb26655096 [0,1,0,0,0,1|2,0,0]=4 4654 B11R1.23 CCC(=O)c1cc(C)ccn1 Amb20247623 [0,1,0,0,0,1|2,0,0]=4 4655 B11R1.23 CCC(=O)c1cccc(C)c1 Amb33534981 [0,1,0,0,0,1|2,0,0]=4 4656 B11R1.23 CCC(=O)c1ccnc(C)c1 Amb28184697 [0,1,0,0,0,1|2,0,0]=4 4657 B11R1.23 CNC(=O)c1cc(C)ccn1 Amb26907343 [0,1,0,0,0,1|2,0,0]=4 4658 B11R1.23 COC(=N)c1cc(C)ccn1 Amb27216643 [0,1,0,0,0,1|2,0,0]=4 4659 B11R1.23 COC(=O)C1=CC(=N)NC=C1 Amb19281876 [0,1,0,0,0,1|2,0,0]=4 4660 B11R1.23 COC(=O)C1=CC(=O)CC=N1 Amb27409531 [0,1,0,0,0,1|2,0,0]=4 4661 B11R1.23 COC(=O)C1=CC(=O)N=CN1 Amb22497602 [0,1,0,0,0,1|2,0,0]=4 4662 B11R1.23 COC(=O)C1=CC(=O)NN=C1 Amb22235613 [0,1,0,0,0,1|2,0,0]=4 4663 B11R1.23 COC(=O)c1cc(Br)ccn1 Amb33544830 [0,1,0,0,0,1|2,0,0]=4 4664 B11R1.23 COC(=O)c1cc(Br)ncn1 Amb22752399 [0,1,0,0,0,1|2,0,0]=4 4665 B11R1.23 COC(=O)c1cc(C)ccn1 Amb21963460 [0,1,0,0,0,1|1,0,0]=3 4666 B11R1.23 COC(=O)c1cc(C)cnn1 Amb24183592 [0,1,0,0,0,1|2,0,0]=4 4667 B11R1.23 COC(=O)c1cc(C)ncn1 Amb22233997 [0,1,0,0,0,1|1,0,0]=3 4668 B11R1.23 COC(=O)c1cc(Cl)ccn1 Amb22489514 [0,1,0,0,0,1|2,0,0]=4 4669 B11R1.23 COC(=O)c1cc(Cl)ccn1 Amb2425400 [0,1,0,0,0,1|2,0,0]=4 4670 B11R1.23 COC(=O)c1cc(Cl)ccn1 Amb6565037 [0,1,0,0,0,1|2,0,0]=4 4671 B11R1.23 COC(=O)c1cc(Cl)ncn1 Amb20241221 [0,1,0,0,0,1|2,0,0]=4 4672 B11R1.23 COC(=O)c1cc(F)ccn1 Amb21857845 [0,1,0,0,0,1|2,0,0]=4 4673 B11R1.23 COC(=O)c1cc(F)ncn1 Amb27192376 [0,1,0,0,0,1|2,0,0]=4 4674 B11R1.23 COC(=O)c1cc(I)ccn1 Amb10072115 [0,1,0,0,0,1|2,0,0]=4 4675 B11R1.23 COC(=O)c1cc(N)ccn1 Amb33874132 [0,1,0,0,0,1|2,0,0]=4 4676 B11R1.23 COC(=O)c1cc(N)ccn1 Amb8386827 [0,1,0,0,0,1|2,0,0]=4 4677 B11R1.23 COC(=O)c1cc(N)ncn1 Amb21963300 [0,1,0,0,0,1|2,0,0]=4 4678 B11R1.23 COC(=O)c1cc(O)ccn1 Amb10603787 [0,1,0,0,0,1|2,0,0]=4 4679 B11R1.23 COC(=O)c1cc(O)ccn1 Amb22754537 [0,1,0,0,0,1|2,0,0]=4 4680 B11R1.23 COC(=O)c1ccc[n+](C)c1 Amb2610524 [0,1,0,0,0,1|2,0,0]=4 4681 B11R1.23 COC(=O)c1cccc(Br)c1 Amb3939648 [0,1,0,0,0,1|2,0,0]=4 4682 B11R1.23 COC(=O)c1cccc(C)c1 Amb2726160 [0,1,0,0,0,1|1,0,0]=3 4683 B11R1.23 COC(=O)c1cccc(C)n1 Amb2694578 [0,1,0,0,0,1|2,0,0]=4 4684 B11R1.23 COC(=O)c1cccc(Cl)c1 Amb6365788 [0,1,0,0,0,1|2,0,0]=4 4685 B11R1.23 COC(=O)c1cccc(F)c1 Amb2689435 [0,1,0,0,0,1|2,0,0]=4 4686 B11R1.23 COC(=O)c1cccc(I)c1 Amb4009338 [0,1,0,0,0,1|2,0,0]=4 4687 B11R1.23 COC(=O)c1cccc(N)c1 Amb22001392 [0,1,0,0,0,1|2,0,0]=4 4688 B11R1.23 COC(=O)c1cccc(N)c1 Amb6358036 [0,1,0,0,0,1|2,0,0]=4 4689 B11R1.23 COC(=O)c1cccc(O)c1 Amb6355858 [0,1,0,0,0,1|2,0,0]=4 4690 B11R1.23 COC(=O)c1cccc(S)c1 Amb17617595 [0,1,0,0,0,1|2,0,0]=4 4691 B11R1.23 COC(=O)c1ccnc(Br)c1 Amb6565027 [0,1,0,0,0,1|2,0,0]=4 4692 B11R1.23 COC(=O)c1ccnc(C)c1 Amb19944358 [0,1,0,0,0,1|1,0,0]=3 4693 B11R1.23 COC(=O)c1ccnc(C)c1 Amb35789118 [0,1,0,0,0,1|1,0,0]=3 4694 B11R1.23 COC(=O)c1ccnc(C)n1 Amb20171561 [0,1,0,0,0,1|2,0,0]=4 4695 B11R1.23 COC(=O)c1ccnc(Cl)c1 Amb4477428 [0,1,0,0,0,1|2,0,0]=4 4696 B11R1.23 COC(=O)c1ccnc(F)c1 Amb16231929 [0,1,0,0,0,1|2,0,0]=4 4697 B11R1.23 COC(=O)c1ccnc(I)c1 Amb6565067 [0,1,0,0,0,1|2,0,0]=4 4698 B11R1.23 COC(=O)c1ccnc(N)c1 Amb842441 [0,1,0,0,0,1|2,0,0]=4 4699 B11R1.23 COC(=O)c1ccnc(O)c1 Amb22741052 [0,1,0,0,0,1|2,0,0]=4 4700 B11R1.23 COC(=O)c1ccnc(O)c1 Amb35749332 [0,1,0,0,0,1|2,0,0]=4 4701 B11R1.23 COC(=O)c1ccnc(S)c1 Amb2612003 [0,1,0,0,0,1|2,0,0]=4 4702 B11R1.23 COC(=O)c1cncc(Br)c1 Amb2446343 [0,1,0,0,0,1|2,0,0]=4 4703 B11R1.23 COC(=O)c1cncc(C)c1 Amb2689445 [0,1,0,0,0,1|1,0,0]=3 4704 B11R1.23 COC(=O)c1cncc(C)n1 Amb22236001 [0,1,0,0,0,1|2,0,0]=4 4705 B11R1.23 COC(=O)c1cncc(Cl)c1 Amb10603998 [0,1,0,0,0,1|2,0,0]=4 4706 B11R1.23 COC(=O)c1cncc(F)c1 Amb10606907 [0,1,0,0,0,1|2,0,0]=4 4707 B11R1.23 COC(=O)c1cncc(I)c1 Amb13887026 [0,1,0,0,0,1|2,0,0]=4 4708 B11R1.23 COC(=O)c1cncc(N)c1 Amb22756402 [0,1,0,0,0,1|2,0,0]=4 4709 B11R1.23 COC(=O)c1cncc(N)c1 Amb2695659 [0,1,0,0,0,1|2,0,0]=4 4710 B11R1.23 COC(=O)c1cncc(O)c1 Amb17739876 [0,1,0,0,0,1|2,0,0]=4 4711 B11R1.23 COC(=O)c1cncc(O)c1 Amb580916 [0,1,0,0,0,1|2,0,0]=4 4712 B11R1.23 COC(=O)c1cnnc(Cl)c1 Amb10604004 [0,1,0,0,0,1|2,0,0]=4 4713 B11R1.23 COC(=O)c1nccc(C)n1 Amb21857157 [0,1,0,0,0,1|2,0,0]=4 4714 B11R1.23 Cc1cc(C(=O)CBr)ccn1 Amb27842062 [0,1,0,0,0,1|2,0,0]=4 4715 B11R1.23 Cc1cc(C(=O)CCl)ccn1 Amb24605579 [0,1,0,0,0,1|2,0,0]=4 4716 B11R1.23 Cc1cc(C(=O)CN)ccn1 Amb24106014 [0,1,0,0,0,1|2,0,0]=4 4717 B11R1.23 Cc1cc(C(=O)NN)ccn1 Amb26887393 [0,1,0,0,0,1|2,0,0]=4 4718 B11R1.23 Cc1cc(C(=O)NO)ncn1 Amb28127312 [0,1,0,0,0,1|1,0,0]=3 4719 B11R1.23 Cc1cc(\C(N)=N\O)ccn1 Amb24358402 [0,1,0,0,0,1|2,0,0]=4 4720 B11R1.23 Cc1cccc(C(=O)C#N)c1 Amb17231995 [0,1,0,0,0,1|2,0,0]=4 4721 B11R1.23 Cc1cccc(C(=O)C=O)c1 Amb24055227 [0,1,0,0,0,1|1,0,1]=4 4722 B11R1.23 Cc1cccc(C(=O)CBr)c1 Amb5395410 [0,1,0,0,0,1|2,0,0]=4 4723 B11R1.23 Cc1cccc(C(=O)CCl)c1 Amb18806064 [0,1,0,0,0,1|2,0,0]=4 4724 B11R1.23 Cc1cccc(C(=O)CF)c1 Amb24084129 [0,1,0,0,0,1|2,0,0]=4 4725 B11R1.23 Cc1cccc(C(=O)CN)c1 Amb10976904 [0,1,0,0,0,1|2,0,0]=4 4726 B11R1.23 Cc1cccc(C(=O)CN)c1 Amb20171473 [0,1,0,0,0,1|2,0,0]=4 4727 B11R1.23 Cc1cccc(C(=O)CO)c1 Amb18182731 [0,1,0,0,0,1|1,0,0]=3 4728 B11R1.23 Cc1cccc(C(=O)NN)c1 Amb6336466 [0,1,0,0,0,1|2,0,0]=4 4729 B11R1.23 Cc1cccc(C(=O)NO)c1 Amb6258947 [0,1,0,0,0,1|1,0,0]=3 4730 B11R1.23 Cc1cccc(C(=O)NO)n1 Amb6272417 [0,1,0,0,0,1|2,0,0]=4 4731 B11R1.23 Cc1cccc(\C(N)=N\O)c1 Amb6573044 [0,1,0,0,0,1|2,0,0]=4 4732 B11R1.23 Cc1ccnc(C(=O)CBr)c1 Amb24104033 [0,1,0,0,0,1|2,0,0]=4 4733 B11R1.23 Cc1ccnc(C(=O)CCl)c1 Amb33262614 [0,1,0,0,0,1|2,0,0]=4 4734 B11R1.23 Cc1ccnc(C(=O)CN)c1 Amb24564185 [0,1,0,0,0,1|2,0,0]=4 4735 B11R1.23 Cc1ccnc(\C(N)=N\O)c1 Amb23447049 [0,1,0,0,0,1|2,0,0]=4 4736 B11R1.23 Cc1cncc(C(=N)NO)c1 Amb28398250 [0,1,0,0,0,1|2,0,0]=4 4737 B11R1.23 Cc1cncc(C(=O)CBr)c1 Amb33249663 [0,1,0,0,0,1|2,0,0]=4 4738 B11R1.23 Cc1cncc(C(=O)CCl)c1 Amb26543140 [0,1,0,0,0,1|2,0,0]=4 4739 B11R1.23 Cc1cncc(C(=O)CN)c1 Amb25800562 [0,1,0,0,0,1|2,0,0]=4 4740 B11R1.23 Cc1cncc(C(=O)NN)c1 Amb2752934 [0,1,0,0,0,1|2,0,0]=4 4741 B11R1.23 Cc1cncc(C(=O)NO)c1 Amb28365484 [0,1,0,0,0,1|1,0,0]=3 4742 B11R1.23 O=C(CO)c1cccc(Br)c1 Amb24579747 [0,1,0,0,0,1|2,0,0]=4 4743 B11R1.23 O=C(CO)c1cccc(Cl)c1 Amb18185666 [0,1,0,0,0,1|2,0,0]=4 4744 B11R1.23 O=C(CO)c1cccc(F)c1 Amb18182894 [0,1,0,0,0,1|2,0,0]=4 4745 B11R1.23 O=C(CO)c1cccc(I)c1 Amb33623872 [0,1,0,0,0,1|2,0,0]=4 4746 B11R1.23 O=C(NO)c1cc(Cl)ccn1 Amb26351747 [0,1,0,0,0,1|2,0,0]=4 4747 B11R1.23 O=C(NO)c1cccc(Br)c1 Amb6275747 [0,1,0,0,0,1|2,0,0]=4 4748 B11R1.23 O=C(NO)c1cccc(Cl)c1 Amb6265167 [0,1,0,0,0,1|2,0,0]=4 4749 B11R1.23 O=C(NO)c1cccc(F)c1 Amb6267435 [0,1,0,0,0,1|2,0,0]=4 4750 B11R1.23 O=C(NO)c1cccc(O)c1 Amb6270436 [0,1,0,0,0,1|2,0,0]=4 4751 B11R1.23 O=C(NO)c1ccnc(Cl)c1 Amb25122516 [0,1,0,0,0,1|2,0,0]=4 4752 B11R1.23 O=C(NO)c1ccnc(F)c1 Amb25848316 [0,1,0,0,0,1|2,0,0]=4 4753 B11R1.23 O=C(NO)c1cncc(Br)c1 Amb7756051 [0,1,0,0,0,1|2,0,0]=4 4754 B11R1.23 O=C(NO)c1cncc(Cl)c1 Amb26338113 [0,1,0,0,0,1|2,0,0]=4 4755 B11R1.23 O=C(NO)c1cncc(F)c1 Amb24486835 [0,1,0,0,0,1|2,0,0]=4 4756 B11R1.23 O=C(NO)c1cncc(O)c1 Amb27479252 [0,1,0,0,0,1|2,0,0]=4 4757 B11R1.23 O=C(OO)c1cccc(Cl)c1 Amb6365645 [0,1,0,0,0,1|2,0,0]=4 4758 B11R1.23 O=C(O[Na])c1cc(I)ccn1 Amb21955171 [0,1,0,0,0,1|2,0,0]=4 4759 B11R1.74 CC(=O)C1=CC(C)OC(C)=C1 Amb24379281 [0,1,0,0,0,1|1,1,0]=4 4760 B11R1.74 CC(=O)c1cc(C)cc(Br)c1 Amb22498275 [0,1,0,0,0,1|2,0,0]=4 4761 B11R1.74 CC(=O)c1cc(C)cc(C)c1 Amb10602200 [0,1,0,0,0,1|2,0,0]=4 4762 B11R1.74 CC(=O)c1cc(C)cc(C)n1 Amb21962520 [0,1,0,0,0,1|2,0,0]=4 4763 B11R1.74 CC(=O)c1cc(C)cc(Cl)c1 Amb28456490 [0,1,0,0,0,1|2,0,0]=4 4764 B11R1.74 CC(=O)c1cc(C)cc(F)c1 Amb22043498 [0,1,0,0,0,1|2,0,0]=4 4765 B11R1.74 CC(=O)c1cc(C)cc(I)c1 Amb27986182 [0,1,0,0,0,1|2,0,0]=4 4766 B11R1.74 CC(=O)c1cc(C)cc(O)c1 Amb18125103 [0,1,0,0,0,1|2,0,0]=4 4767 B11R1.74 CC(=O)c1cc(C)nc(Br)c1 Amb24395182 [0,1,0,0,0,1|2,0,0]=4 4768 B11R1.74 CC(=O)c1cc(C)nc(C)c1 Amb24063926 [0,1,0,0,0,1|2,0,0]=4 4769 B11R1.74 CC(=O)c1cc(C)nc(Cl)c1 Amb28384598 [0,1,0,0,0,1|2,0,0]=4 4770 B11R1.74 CC(=O)c1cc(C)nc(N)n1 Amb27638792 [0,1,0,0,0,1|2,0,0]=4 4771 B11R1.74 CC(=O)c1cc(C)nc(O)c1 Amb22900080 [0,1,0,0,0,1|2,0,0]=4 4772 B11R1.74 CC(=O)c1cc(C)nc(O)n1 Amb27634238 [0,1,0,0,0,1|2,0,0]=4 4773 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 Amb19517028 [0,1,0,0,0,1|2,0,0]=4 4774 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 Amb18125636 [0,1,0,0,0,1|2,0,0]=4 4775 B11R1.74 CC1=CC(=O)OC(C(=O)Cl)=C1 Amb25114186 [0,1,0,0,0,1|2,0,0]=4 4776 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 Amb19664809 [0,1,0,0,0,1|2,0,0]=4 4777 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 Amb18125515 [0,1,0,0,0,1|1,0,0]=3 4778 B11R1.74 CC1=NC(=O)NC(C(=O)O)=C1 Amb18529650 [0,1,0,0,0,1|1,0,0]=3 4779 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 Amb18042085 [0,1,0,0,0,1|2,0,0]=4 4780 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 Amb30584657 [0,1,0,0,0,1|2,0,0]=4 4781 B11R1.74 Cc1c[n+]([O-])cc(C(=O)O)n1 Amb27668008 [0,1,0,0,0,1|2,0,0]=4 4782 B11R1.74 Cc1cc(Br)cc(C(=O)Cl)c1 Amb19891064 [0,1,0,0,0,1|2,0,0]=4 4783 B11R1.74 Cc1cc(Br)cc(C(=O)O)c1 Amb4018978 [0,1,0,0,0,1|1,0,0]=3 4784 B11R1.74 Cc1cc(Br)cc(C(=O)O)n1 Amb18769911 [0,1,0,0,0,1|2,0,0]=4 4785 B11R1.74 Cc1cc(Br)cc(C(=O)O)n1 Amb24065882 [0,1,0,0,0,1|2,0,0]=4 4786 B11R1.74 Cc1cc(Br)cc(C(N)=O)c1 Amb22498270 [0,1,0,0,0,1|2,0,0]=4 4787 B11R1.74 Cc1cc(Br)nc(C(=O)O)c1 Amb27158261 [0,1,0,0,0,1|1,0,0]=3 4788 B11R1.74 Cc1cc(Br)nc(C(N)=O)c1 Amb28123748 [0,1,0,0,0,1|2,0,0]=4 4789 B11R1.74 Cc1cc(C(=O)Cl)cc(Cl)n1 Amb2686245 [0,1,0,0,0,1|2,0,0]=4 4790 B11R1.74 Cc1cc(C(=O)Cl)cc(F)n1 Amb28250127 [0,1,0,0,0,1|2,0,0]=4 4791 B11R1.74 Cc1cc(C(=O)Cl)cc(O)n1 Amb28436384 [0,1,0,0,0,1|2,0,0]=4 4792 B11R1.74 Cc1cc(C(=O)Cl)nc(Cl)n1 Amb24484537 [0,1,0,0,0,1|2,0,0]=4 4793 B11R1.74 Cc1cc(C(=O)O)cc(Br)n1 Amb24680049 [0,1,0,0,0,1|1,0,0]=3 4794 B11R1.74 Cc1cc(C(=O)O)cc(C)n1 Amb1420332 [0,1,0,0,0,1|1,0,0]=3 4795 B11R1.74 Cc1cc(C(=O)O)cc(C)n1 Amb22235476 [0,1,0,0,0,1|1,0,0]=3 4796 B11R1.74 Cc1cc(C(=O)O)cc(Cl)n1 Amb2686246 [0,1,0,0,0,1|1,0,0]=3 4797 B11R1.74 Cc1cc(C(=O)O)cc(F)n1 Amb27475960 [0,1,0,0,0,1|1,0,0]=3 4798 B11R1.74 Cc1cc(C(=O)O)cc(N)n1 Amb18125357 [0,1,0,0,0,1|1,0,0]=3 4799 B11R1.74 Cc1cc(C(=O)O)cc(O)n1 Amb2724733 [0,1,0,0,0,1|1,0,0]=3 4800 B11R1.74 Cc1cc(C(=O)O)nc(C)n1 Amb33331044 [0,1,0,0,0,1|1,0,0]=3 4801 B11R1.74 Cc1cc(C(=O)O)nc(C)n1 Amb839170 [0,1,0,0,0,1|1,0,0]=3 4802 B11R1.74 Cc1cc(C(=O)O)nc(Cl)n1 Amb17138698 [0,1,0,0,0,1|1,0,0]=3 4803 B11R1.74 Cc1cc(C(=O)O)nc(N)n1 Amb2721835 [0,1,0,0,0,1|1,0,0]=3 4804 B11R1.74 Cc1cc(C(=O)O)nc(O)n1 Amb20623077 [0,1,0,0,0,1|1,0,0]=3 4805 B11R1.74 Cc1cc(C(=O)O)nc(O)n1 Amb7088918 [0,1,0,0,0,1|1,0,0]=3 4806 B11R1.74 Cc1cc(C(=O)O)nc(S)n1 Amb27945425 [0,1,0,0,0,1|1,0,0]=3 4807 B11R1.74 Cc1cc(C(N)=O)cc(C)n1 Amb25909599 [0,1,0,0,0,1|2,0,0]=4 4808 B11R1.74 Cc1cc(C(N)=O)cc(Cl)n1 Amb25893024 [0,1,0,0,0,1|2,0,0]=4 4809 B11R1.74 Cc1cc(C(N)=O)cc(F)n1 Amb32672693 [0,1,0,0,0,1|2,0,0]=4 4810 B11R1.74 Cc1cc(C(N)=O)cc(I)n1 Amb27966290 [0,1,0,0,0,1|2,0,0]=4 4811 B11R1.74 Cc1cc(C(N)=O)cc(O)n1 Amb25949530 [0,1,0,0,0,1|2,0,0]=4 4812 B11R1.74 Cc1cc(C(N)=O)nc(Cl)n1 Amb23443228 [0,1,0,0,0,1|2,0,0]=4 4813 B11R1.74 Cc1cc(C(N)=O)nc(O)n1 Amb4010236 [0,1,0,0,0,1|2,0,0]=4 4814 B11R1.74 Cc1cc(C)cc(C(=O)Cl)c1 Amb2687484 [0,1,0,0,0,1|2,0,0]=4 4815 B11R1.74 Cc1cc(C)cc(C(=O)O)c1 Amb2387602 [0,1,0,0,0,1|1,0,0]=3 4816 B11R1.74 Cc1cc(C)cc(C(N)=O)c1 Amb3742021 [0,1,0,0,0,1|2,0,0]=4 4817 B11R1.74 Cc1cc(C)nc(C(=O)O)c1 Amb1299546 [0,1,0,0,0,1|1,0,0]=3 4818 B11R1.74 Cc1cc(C)nc(C(=O)O)c1 Amb22886606 [0,1,0,0,0,1|1,0,0]=3 4819 B11R1.74 Cc1cc(C)nc(C(=O)O)n1 Amb8010848 [0,1,0,0,0,1|2,0,0]=4 4820 B11R1.74 Cc1cc(C)nc(C(N)=O)c1 Amb5718441 [0,1,0,0,0,1|2,0,0]=4 4821 B11R1.74 Cc1cc(C)nc(S(=O)O)c1 Amb32992435 [0,1,0,0,0,1|2,0,0]=4 4822 B11R1.74 Cc1cc(Cl)cc(C(=O)Cl)c1 Amb19891019 [0,1,0,0,0,1|2,0,0]=4 4823 B11R1.74 Cc1cc(Cl)cc(C(=O)O)c1 Amb19944112 [0,1,0,0,0,1|1,0,0]=3 4824 B11R1.74 Cc1cc(Cl)cc(C(=O)O)n1 Amb18647567 [0,1,0,0,0,1|2,0,0]=4 4825 B11R1.74 Cc1cc(Cl)cc(C(=O)O)n1 Amb24183683 [0,1,0,0,0,1|2,0,0]=4 4826 B11R1.74 Cc1cc(Cl)cc(C(N)=O)c1 Amb25143972 [0,1,0,0,0,1|2,0,0]=4 4827 B11R1.74 Cc1cc(Cl)nc(C(=O)Cl)c1 Amb27595019 [0,1,0,0,0,1|2,0,0]=4 4828 B11R1.74 Cc1cc(Cl)nc(C(=O)O)c1 Amb10603051 [0,1,0,0,0,1|1,0,0]=3 4829 B11R1.74 Cc1cc(F)cc(C(=O)Cl)c1 Amb19890659 [0,1,0,0,0,1|2,0,0]=4 4830 B11R1.74 Cc1cc(F)cc(C(=O)O)c1 Amb8397076 [0,1,0,0,0,1|1,0,0]=3 4831 B11R1.74 Cc1cc(F)nc(C(=O)O)c1 Amb25240548 [0,1,0,0,0,1|1,0,0]=3 4832 B11R1.74 Cc1cc(I)cc(C(=O)Cl)c1 Amb25805252 [0,1,0,0,0,1|2,0,0]=4 4833 B11R1.74 Cc1cc(I)cc(C(=O)O)c1 Amb24329104 [0,1,0,0,0,1|1,0,0]=3 4834 B11R1.74 Cc1cc(I)cc(C(N)=O)c1 Amb27790875 [0,1,0,0,0,1|2,0,0]=4 4835 B11R1.74 Cc1cc(I)nc(C(=O)O)c1 Amb27600028 [0,1,0,0,0,1|1,0,0]=3 4836 B11R1.74 Cc1cc(N)cc(C(=O)O)c1 Amb32652794 [0,1,0,0,0,1|1,0,0]=3 4837 B11R1.74 Cc1cc(N)cc(C(=O)O)c1 Amb6308349 [0,1,0,0,0,1|1,0,0]=3 4838 B11R1.74 Cc1cc(N)cc(C(=O)O)n1 Amb18201465 [0,1,0,0,0,1|2,0,0]=4 4839 B11R1.74 Cc1cc(N)cc(C(N)=O)c1 Amb24379462 [0,1,0,0,0,1|2,0,0]=4 4840 B11R1.74 Cc1cc(N)nc(C(=O)O)c1 Amb26549149 [0,1,0,0,0,1|1,0,0]=3 4841 B11R1.74 Cc1cc(N)nc(C(N)=O)c1 Amb24550348 [0,1,0,0,0,1|2,0,0]=4 4842 B11R1.74 Cc1cc(O)cc(C(=O)Cl)c1 Amb27244740 [0,1,0,0,0,1|2,0,0]=4 4843 B11R1.74 Cc1cc(O)cc(C(=O)O)c1 Amb8384681 [0,1,0,0,0,1|1,0,0]=3 4844 B11R1.74 Cc1cc(O)cc(C(N)=O)c1 Amb20621087 [0,1,0,0,0,1|2,0,0]=4 4845 B11R1.74 Cc1cc(O)nc(C(=O)O)c1 Amb2697966 [0,1,0,0,0,1|1,0,0]=3 4846 B11R1.74 Cc1cc(S(=O)O)cc(F)n1 Amb32992466 [0,1,0,0,0,1|2,0,0]=4 4847 B11R1.74 Cc1cc(S)cc(C(=O)O)c1 Amb25891783 [0,1,0,0,0,1|1,0,0]=3 4848 B11R1.74 Cc1nc(Cl)cc(C(=O)O)n1 Amb17486897 [0,1,0,0,0,1|2,0,0]=4 4849 B11R1.74 N=C1NC(=O)C=C(C(=O)O)S1 Amb19651812 [0,1,0,0,0,1|2,0,0]=4 4850 B11R1.74 NC1=CC(=O)C=C(C(=O)O)N1 Amb24520598 [0,1,0,0,0,1|2,0,0]=4 4851 B11R1.74 NC1=CC(C(=O)O)=CC(=O)N1 Amb18200850 [0,1,0,0,0,1|2,0,0]=4 4852 B11R1.74 Nc1cc(Br)cc(C(=O)O)c1 Amb4017258 [0,1,0,0,0,1|2,0,0]=4 4853 B11R1.74 Nc1cc(Br)cc(C(=O)O)n1 Amb22292443 [0,1,0,0,0,1|2,0,0]=4 4854 B11R1.74 Nc1cc(Br)nc(C(=O)O)c1 Amb22292447 [0,1,0,0,0,1|2,0,0]=4 4855 B11R1.74 Nc1cc(C(=O)O)cc(Br)n1 Amb27463217 [0,1,0,0,0,1|2,0,0]=4 4856 B11R1.74 Nc1cc(C(=O)O)cc(Cl)n1 Amb8856818 [0,1,0,0,0,1|2,0,0]=4 4857 B11R1.74 Nc1cc(C(=O)O)cc(F)n1 Amb25825980 [0,1,0,0,0,1|2,0,0]=4 4858 B11R1.74 Nc1cc(C(=O)O)nc(Cl)n1 Amb23437070 [0,1,0,0,0,1|2,0,0]=4 4859 B11R1.74 Nc1cc(C(=O)O)nc(N)n1 Amb25311808 [0,1,0,0,0,1|2,0,0]=4 4860 B11R1.74 Nc1cc(C(=O)O)nc(S)n1 Amb24671213 [0,1,0,0,0,1|2,0,0]=4 4861 B11R1.74 Nc1cc(Cl)cc(C(=O)O)c1 Amb6308355 [0,1,0,0,0,1|2,0,0]=4 4862 B11R1.74 Nc1cc(Cl)cc(C(=O)O)n1 Amb18198129 [0,1,0,0,0,1|2,0,0]=4 4863 B11R1.74 Nc1cc(F)cc(C(=O)O)c1 Amb6308354 [0,1,0,0,0,1|2,0,0]=4 4864 B11R1.74 Nc1cc(F)nc(C(=O)O)c1 Amb24340397 [0,1,0,0,0,1|2,0,0]=4 4865 B11R1.74 Nc1cc(I)cc(C(=O)O)c1 Amb6308353 [0,1,0,0,0,1|2,0,0]=4 4866 B11R1.74 Nc1cc(I)cc(C(=O)O)n1 Amb28182553 [0,1,0,0,0,1|2,0,0]=4 4867 B11R1.74 Nc1cc(I)nc(C(=O)O)c1 Amb27602626 [0,1,0,0,0,1|2,0,0]=4 4868 B11R1.74 Nc1cc(N)cc(C(=O)O)c1 Amb4349335 [0,1,0,0,0,1|2,0,0]=4 4869 B11R1.74 Nc1cc(O)cc(C(=O)O)c1 Amb6308343 [0,1,0,0,0,1|2,0,0]=4 4870 B11R1.74 Nc1cc(O)cc(C(=O)O)c1 Amb6572450 [0,1,0,0,0,1|2,0,0]=4 4871 B11R1.74 Nc1cc(O)nc(C(=O)O)c1 Amb28042278 [0,1,0,0,0,1|2,0,0]=4 4872 B11R1.74 Nc1nc(Br)cc(C(=O)O)n1 Amb26869471 [0,1,0,0,0,1|2,0,0]=4 4873 B11R1.74 Nc1nc(Cl)cc(C(=O)O)n1 Amb27625009 [0,1,0,0,0,1|2,0,0]=4 4874 B11R1.74 Nc1nc(O)cc(C(=O)O)n1 Amb3989920 [0,1,0,0,0,1|2,0,0]=4 4875 B11R1.74 O=C(O)c1cc(Br)cc(Br)c1 Amb2724224 [0,1,0,0,0,1|2,0,0]=4 4876 B11R1.74 O=C(O)c1cc(Br)cc(Cl)n1 Amb22292444 [0,1,0,0,0,1|2,0,0]=4 4877 B11R1.74 O=C(O)c1cc(Br)cc(F)n1 Amb27655034 [0,1,0,0,0,1|2,0,0]=4 4878 B11R1.74 O=C(O)c1cc(Br)cc(I)c1 Amb6297373 [0,1,0,0,0,1|2,0,0]=4 4879 B11R1.74 O=C(O)c1cc(Br)cc(O)n1 Amb24555661 [0,1,0,0,0,1|2,0,0]=4 4880 B11R1.74 O=C(O)c1cc(Br)nc(Br)c1 Amb10067172 [0,1,0,0,0,1|2,0,0]=4 4881 B11R1.74 O=C(O)c1cc(Br)nc(I)c1 Amb28410145 [0,1,0,0,0,1|2,0,0]=4 4882 B11R1.74 O=C(O)c1cc(Cl)cc(Br)c1 Amb10070312 [0,1,0,0,0,1|2,0,0]=4 4883 B11R1.74 O=C(O)c1cc(Cl)cc(Br)n1 Amb18158682 [0,1,0,0,0,1|2,0,0]=4 4884 B11R1.74 O=C(O)c1cc(Cl)cc(Cl)c1 Amb535705 [0,1,0,0,0,1|2,0,0]=4 4885 B11R1.74 O=C(O)c1cc(Cl)cc(Cl)n1 Amb16185753 [0,1,0,0,0,1|2,0,0]=4 4886 B11R1.74 O=C(O)c1cc(Cl)cc(I)c1 Amb10069352 [0,1,0,0,0,1|2,0,0]=4 4887 B11R1.74 O=C(O)c1cc(Cl)cc(O)n1 Amb18197852 [0,1,0,0,0,1|2,0,0]=4 4888 B11R1.74 O=C(O)c1cc(Cl)nc(Br)c1 Amb25189325 [0,1,0,0,0,1|2,0,0]=4 4889 B11R1.74 O=C(O)c1cc(Cl)nc(Cl)c1 Amb1207362 [0,1,0,0,0,1|2,0,0]=4 4890 B11R1.74 O=C(O)c1cc(Cl)nc(Cl)n1 Amb371841 [0,1,0,0,0,1|2,0,0]=4 4891 B11R1.74 O=C(O)c1cc(F)c[n+]([O-])c1 Amb27403002 [0,1,0,0,0,1|2,0,0]=4 4892 B11R1.74 O=C(O)c1cc(F)cc(Br)c1 Amb2685190 [0,1,0,0,0,1|2,0,0]=4 4893 B11R1.74 O=C(O)c1cc(F)cc(Br)n1 Amb24695203 [0,1,0,0,0,1|2,0,0]=4 4894 B11R1.74 O=C(O)c1cc(F)cc(Cl)c1 Amb2685951 [0,1,0,0,0,1|2,0,0]=4 4895 B11R1.74 O=C(O)c1cc(F)cc(F)c1 Amb1227715 [0,1,0,0,0,1|2,0,0]=4 4896 B11R1.74 O=C(O)c1cc(F)cc(F)n1 Amb8389952 [0,1,0,0,0,1|2,0,0]=4 4897 B11R1.74 O=C(O)c1cc(F)cc(I)c1 Amb8628770 [0,1,0,0,0,1|2,0,0]=4 4898 B11R1.74 O=C(O)c1cc(F)cc(S)c1 Amb28203461 [0,1,0,0,0,1|2,0,0]=4 4899 B11R1.74 O=C(O)c1cc(F)nc(Br)c1 Amb26938805 [0,1,0,0,0,1|2,0,0]=4 4900 B11R1.74 O=C(O)c1cc(F)nc(Cl)c1 Amb24554686 [0,1,0,0,0,1|2,0,0]=4 4901 B11R1.74 O=C(O)c1cc(F)nc(F)c1 Amb10976044 [0,1,0,0,0,1|2,0,0]=4 4902 B11R1.74 O=C(O)c1cc(I)cc(Cl)n1 Amb27411302 [0,1,0,0,0,1|2,0,0]=4 4903 B11R1.74 O=C(O)c1cc(I)cc(I)c1 Amb2687313 [0,1,0,0,0,1|2,0,0]=4 4904 B11R1.74 O=C(O)c1cc(O)cc(Br)c1 Amb19959245 [0,1,0,0,0,1|2,0,0]=4 4905 B11R1.74 O=C(O)c1cc(O)cc(Br)n1 Amb25776256 [0,1,0,0,0,1|2,0,0]=4 4906 B11R1.74 O=C(O)c1cc(O)cc(Cl)c1 Amb6298695 [0,1,0,0,0,1|2,0,0]=4 4907 B11R1.74 O=C(O)c1cc(O)cc(Cl)n1 Amb24470431 [0,1,0,0,0,1|2,0,0]=4 4908 B11R1.74 O=C(O)c1cc(O)cc(F)c1 Amb10840750 [0,1,0,0,0,1|2,0,0]=4 4909 B11R1.74 O=C(O)c1cc(O)cc(I)c1 Amb20240618 [0,1,0,0,0,1|2,0,0]=4 4910 B11R1.74 O=C(O)c1cc(O)cc(I)n1 Amb27217698 [0,1,0,0,0,1|2,0,0]=4 4911 B11R1.74 O=C(O)c1cc(O)cc(O)c1 Amb6296601 [0,1,0,0,0,1|2,0,0]=4 4912 B11R1.74 O=C(O)c1cc(O)cc(S)c1 Amb26597553 [0,1,0,0,0,1|2,0,0]=4 4913 B11R1.74 O=C(O)c1cc(O)nc(F)c1 Amb28066686 [0,1,0,0,0,1|2,0,0]=4 4914 B11R1.74 O=C(O)c1cc(O)nc(F)n1 Amb27481857 [0,1,0,0,0,1|2,0,0]=4 4915 B11R1.74 O=C(O)c1cc(O)nc(O)c1 Amb1083130 [0,1,0,0,0,1|2,0,0]=4 4916 B11R1.74 O=C(O)c1cc(O)nc(O)n1 Amb535346 [0,1,0,0,0,1|2,0,0]=4 4917 B11R1.74 O=C(O)c1cc(S)cc(Br)c1 Amb27221606 [0,1,0,0,0,1|2,0,0]=4 4918 B11R1.74 O=C(O)c1cc(S)cc(Cl)c1 Amb26338891 [0,1,0,0,0,1|2,0,0]=4 4919 B11R1.74 O=C(O)c1cc(S)nc(S)c1 Amb27865451 [0,1,0,0,0,1|2,0,0]=4 4920 B11R1.74 O=C1C=C(C(=O)O)C=C(Br)N1 Amb26960876 [0,1,0,0,0,1|2,0,0]=4 4921 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 Amb22728292 [0,1,0,0,0,1|2,0,0]=4 4922 B11R1.74 O=C1C=C(C(=O)O)C=C(O)N1 Amb18200555 [0,1,0,0,0,1|2,0,0]=4 4923 B11R1.74 O=C1C=C(C(=O)O)C=C(O)O1 Amb27491027 [0,1,0,0,0,1|1,1,0]=4 4924 B11R1.74 O=C1C=C(C(=O)O)CC(=O)O1 Amb22730029 [0,1,0,0,0,1|1,1,0]=4 4925 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 Amb18185805 [0,1,0,0,0,1|2,0,0]=4 4926 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 Amb19668447 [0,1,0,0,0,1|2,0,0]=4 4927 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 Amb18548442 [0,1,0,0,0,1|2,0,0]=4 4928 B11R1.74 O=C1C=C(O)C=C(C(=O)O)N1 Amb28386374 [0,1,0,0,0,1|2,0,0]=4 4929 B11R1.74 O=C1C=C(O)C=C(C(=O)O)O1 Amb18644775 [0,1,0,0,0,1|2,0,0]=4 4930 B11R1.155 Cc1cccc(P(=O)(O)O)c1 Amb4034825 [0,1,0,0,0,1|2,0,0]=4 4931 B11R1.155 Cc1cccc(S(=O)(=O)O)c1 Amb10807479 [0,1,0,0,0,1|2,0,0]=4 4932 B11R1.155 Cc1cccc(S(=O)(=O)O)c1 Amb22489848 [0,1,0,0,0,1|2,0,0]=4 4933 B11R1.155 Cc1cncc(S(=O)(=O)O)c1 Amb4018027 [0,1,0,0,0,1|2,0,0]=4 4934 B11R1.159 CC(=O)c1cccc(C)c1Br Amb22749800 [0,1,0,0,0,1|2,0,0]=4 4935 B11R1.159 CC(=O)c1cccc(C)c1C Amb17232041 [0,1,0,0,0,1|2,0,0]=4 4936 B11R1.159 CC(=O)c1cccc(C)c1Cl Amb24439010 [0,1,0,0,0,1|2,0,0]=4 4937 B11R1.159 CC(=O)c1cccc(C)c1F Amb24055916 [0,1,0,0,0,1|2,0,0]=4 4938 B11R1.159 CC(=O)c1cccc(C)c1I Amb27156870 [0,1,0,0,0,1|2,0,0]=4 4939 B11R1.159 CC(=O)c1cccc(C)c1N Amb18124985 [0,1,0,0,0,1|2,0,0]=4 4940 B11R1.159 CC(=O)c1cccc(C)c1O Amb1489192 [0,1,0,0,0,1|2,0,0]=4 4941 B11R1.159 CC(=O)c1ccnc(C)c1C Amb8439143 [0,1,0,0,0,1|2,0,0]=4 4942 B11R1.159 CC(=O)c1ccnc(C)c1Cl Amb27436171 [0,1,0,0,0,1|2,0,0]=4 4943 B11R1.159 CC(=O)c1ccnc(C)c1N Amb26857272 [0,1,0,0,0,1|2,0,0]=4 4944 B11R1.159 CC(=O)c1ccnc(C)c1O Amb18125234 [0,1,0,0,0,1|2,0,0]=4 4945 B11R1.159 CC(=O)c1cncc(C)c1C Amb26616883 [0,1,0,0,0,1|2,0,0]=4 4946 B11R1.159 CC(=O)c1cncc(C)c1O Amb27173860 [0,1,0,0,0,1|2,0,0]=4 4947 B11R1.159 CC(=O)c1nccc(C)c1Cl Amb27171371 [0,1,0,0,0,1|2,0,0]=4 4948 B11R1.159 CC(=O)c1nccc(C)c1N Amb28136782 [0,1,0,0,0,1|2,0,0]=4 4949 B11R1.159 CC1=C(C(=O)O)C=CNC1=O Amb18201188 [0,1,0,0,0,1|2,0,0]=4 4950 B11R1.159 CC1=CNC=C(C(=O)O)C1=O Amb18644554 [0,1,0,0,0,1|1,0,0]=3 4951 B11R1.159 CN1C=CC=C(C(=O)O)C1=N Amb25692700 [0,1,0,0,0,1|2,0,0]=4 4952 B11R1.159 CN1C=CC=C(C(=O)O)C1=O Amb18038520 [0,1,0,0,0,1|2,0,0]=4 4953 B11R1.159 CN1C=NC=C(C(=O)O)C1=O Amb24063103 [0,1,0,0,0,1|2,0,0]=4 4954 B11R1.159 Cc1c(Br)cccc1C(=O)O Amb2685317 [0,1,0,0,0,1|2,0,0]=4 4955 B11R1.159 Cc1c(Br)ccnc1C(=O)O Amb22235363 [0,1,0,0,0,1|2,0,0]=4 4956 B11R1.159 Cc1c(Br)cncc1C(=O)O Amb33549170 [0,1,0,0,0,1|2,0,0]=4 4957 B11R1.159 Cc1c(C(=O)O)ccnc1Br Amb26926306 [0,1,0,0,0,1|2,0,0]=4 4958 B11R1.159 Cc1c(C(=O)O)ccnc1Cl Amb21857079 [0,1,0,0,0,1|2,0,0]=4 4959 B11R1.159 Cc1c(C(=O)O)ccnc1F Amb25060588 [0,1,0,0,0,1|2,0,0]=4 4960 B11R1.159 Cc1c(Cl)cccc1C(=O)O Amb6366012 [0,1,0,0,0,1|2,0,0]=4 4961 B11R1.159 Cc1c(Cl)ccnc1C(=O)O Amb22295947 [0,1,0,0,0,1|2,0,0]=4 4962 B11R1.159 Cc1c(Cl)cncc1C(=O)O Amb2796174 [0,1,0,0,0,1|2,0,0]=4 4963 B11R1.159 Cc1c(F)cccc1C(=O)O Amb3940032 [0,1,0,0,0,1|2,0,0]=4 4964 B11R1.159 Cc1c(F)ccnc1C(=O)O Amb25152788 [0,1,0,0,0,1|2,0,0]=4 4965 B11R1.159 Cc1c(I)cccc1C(=O)O Amb2688855 [0,1,0,0,0,1|2,0,0]=4 4966 B11R1.159 Cc1c(N)cccc1C(=O)O Amb3618855 [0,1,0,0,0,1|2,0,0]=4 4967 B11R1.159 Cc1c(N)ccnc1C(=O)O Amb22522203 [0,1,0,0,0,1|2,0,0]=4 4968 B11R1.159 Cc1c(N)cncc1C(=O)O Amb2796176 [0,1,0,0,0,1|2,0,0]=4 4969 B11R1.159 Cc1c(O)cccc1C(=O)O Amb8384204 [0,1,0,0,0,1|2,0,0]=4 4970 B11R1.159 Cc1c(O)ccnc1C(=O)O Amb17615567 [0,1,0,0,0,1|2,0,0]=4 4971 B11R1.159 Cc1c(O)cncc1C(=O)O Amb25032540 [0,1,0,0,0,1|2,0,0]=4 4972 B11R1.159 Cc1c(O)ncnc1C(=O)O Amb19958666 [0,1,0,0,0,1|2,0,0]=4 4973 B11R1.159 Cc1c(S)cccc1C(=O)O Amb24487895 [0,1,0,0,0,1|2,0,0]=4 4974 B11R1.159 Cc1cccc(C(=O)Cl)c1Br Amb19891061 [0,1,0,0,0,1|2,0,0]=4 4975 B11R1.159 Cc1cccc(C(=O)Cl)c1C Amb2726164 [0,1,0,0,0,1|2,0,0]=4 4976 B11R1.159 Cc1cccc(C(=O)Cl)c1Cl Amb19891040 [0,1,0,0,0,1|2,0,0]=4 4977 B11R1.159 Cc1cccc(C(=O)Cl)c1N Amb25892472 [0,1,0,0,0,1|2,0,0]=4 4978 B11R1.159 Cc1cccc(C(=O)O)[n+]1[O-] Amb1078520 [0,1,0,0,0,1|2,0,0]=4 4979 B11R1.159 Cc1cccc(C(=O)O)c1Br Amb2685314 [0,1,0,0,0,1|1,0,0]=3 4980 B11R1.159 Cc1cccc(C(=O)O)c1C Amb1207390 [0,1,0,0,0,1|1,0,0]=3 4981 B11R1.159 Cc1cccc(C(=O)O)c1Cl Amb2686192 [0,1,0,0,0,1|1,0,0]=3 4982 B11R1.159 Cc1cccc(C(=O)O)c1F Amb2735902 [0,1,0,0,0,1|1,0,0]=3 4983 B11R1.159 Cc1cccc(C(=O)O)c1I Amb1129052 [0,1,0,0,0,1|1,0,0]=3 4984 B11R1.159 Cc1cccc(C(=O)O)c1N Amb6358183 [0,1,0,0,0,1|1,0,0]=3 4985 B11R1.159 Cc1cccc(C(=O)O)c1O Amb6355878 [0,1,0,0,0,1|1,0,0]=3 4986 B11R1.159 Cc1cccc(C(=O)O)c1S Amb18126519 [0,1,0,0,0,1|1,0,0]=3 4987 B11R1.159 Cc1cccc(C(=O)[O-])c1O Amb10067431 [0,1,0,0,0,1|1,0,1]=4 4988 B11R1.159 Cc1cccc(C(N)=O)c1Br Amb21961825 [0,1,0,0,0,1|2,0,0]=4 4989 B11R1.159 Cc1cccc(C(N)=O)c1C Amb2726175 [0,1,0,0,0,1|2,0,0]=4 4990 B11R1.159 Cc1cccc(C(N)=O)c1F Amb20242781 [0,1,0,0,0,1|2,0,0]=4 4991 B11R1.159 Cc1cccc(C(N)=O)c1I Amb11480320 [0,1,0,0,0,1|2,0,0]=4 4992 B11R1.159 Cc1cccc(C(N)=O)c1N Amb1115779 [0,1,0,0,0,1|2,0,0]=4 4993 B11R1.159 Cc1cccc(C(N)=O)c1O Amb6671846 [0,1,0,0,0,1|2,0,0]=4 4994 B11R1.159 Cc1cccc(C(O)=S)c1C Amb27663349 [0,1,0,0,0,1|1,1,0]=4 4995 B11R1.159 Cc1cccc(S(=O)O)c1F Amb27944385 [0,1,0,0,0,1|2,0,0]=4 4996 B11R1.159 Cc1ccnc(C(=O)O)c1N Amb25891433 [0,1,0,0,0,1|1,0,0]=3 4997 B11R1.159 Cc1ccnc(C(=O)O)c1O Amb25359831 [0,1,0,0,0,1|1,0,0]=3 4998 B11R1.159 Cc1ccnc(C(=O)O)c1O Amb32671475 [0,1,0,0,0,1|1,0,0]=3 4999 B11R1.159 Cc1ccnc(C(N)=O)c1O Amb28249539 [0,1,0,0,0,1|2,0,0]=4 5000 B11R1.159 Cc1cncc(C(=O)O)[n+]1[O-] Amb8393683 [0,1,0,0,0,1|2,0,0]=4 5001 B11R1.159 Cc1cncc(C(=O)O)c1Br Amb25923254 [0,1,0,0,0,1|1,0,0]=3 5002 B11R1.159 Cc1cncc(C(=O)O)c1C Amb24433875 [0,1,0,0,0,1|1,0,0]=3 5003 B11R1.159 Cc1cncc(C(=O)O)c1Cl Amb25064626 [0,1,0,0,0,1|1,0,0]=3 5004 B11R1.159 Cc1cncc(C(=O)O)c1F Amb27232688 [0,1,0,0,0,1|1,0,0]=3 5005 B11R1.159 Cc1nccc(C(=O)Cl)c1Cl Amb28381064 [0,1,0,0,0,1|2,0,0]=4 5006 B11R1.159 Cc1nccc(C(=O)O)c1Br Amb18171437 [0,1,0,0,0,1|1,0,0]=3 5007 B11R1.159 Cc1nccc(C(=O)O)c1C Amb24101629 [0,1,0,0,0,1|1,0,0]=3 5008 B11R1.159 Cc1nccc(C(=O)O)c1Cl Amb18198383 [0,1,0,0,0,1|1,0,0]=3 5009 B11R1.159 Cc1nccc(C(=O)O)c1F Amb18830927 [0,1,0,0,0,1|1,0,0]=3 5010 B11R1.159 Cc1nccc(C(=O)O)c1N Amb18201419 [0,1,0,0,0,1|1,0,0]=3 5011 B11R1.159 Cc1nccc(C(=O)O)c1O Amb18125511 [0,1,0,0,0,1|1,0,0]=3 5012 B11R1.159 Cc1nccc(C(=O)O)c1O Amb35788655 [0,1,0,0,0,1|1,0,0]=3 5013 B11R1.159 Cc1ncnc(C(=O)O)c1C Amb18201457 [0,1,0,0,0,1|1,0,0]=3 5014 B11R1.159 Cc1ncnc(C(=O)O)c1Cl Amb18198127 [0,1,0,0,0,1|1,0,0]=3 5015 B11R1.159 Cc1ncnc(C(=O)O)c1F Amb33298069 [0,1,0,0,0,1|1,0,0]=3 5016 B11R1.159 Cc1ncnc(C(=O)O)c1N Amb25097083 [0,1,0,0,0,1|1,0,0]=3 5017 B11R1.159 Cn1nccc(C(=O)O)c1=O Amb8010341 [0,1,0,0,0,1|2,0,0]=4 5018 B11R1.159 N=C1C=CC=C(C(=O)O)C1=N Amb27849034 [0,1,0,0,0,1|2,0,0]=4 5019 B11R1.159 NC1=C(C(=O)O)C=CNC1=O Amb18200856 [0,1,0,0,0,1|2,0,0]=4 5020 B11R1.159 Nc1c(Br)cccc1C(=O)O Amb2724966 [0,1,0,0,0,1|2,0,0]=4 5021 B11R1.159 Nc1c(Br)cncc1C(=O)O Amb16231949 [0,1,0,0,0,1|2,0,0]=4 5022 B11R1.159 Nc1c(Br)cncc1C(=O)O Amb33330853 [0,1,0,0,0,1|2,0,0]=4 5023 B11R1.159 Nc1c(C(=O)O)ccnc1Br Amb23557559 [0,1,0,0,0,1|2,0,0]=4 5024 B11R1.159 Nc1c(C(=O)O)ccnc1Cl Amb21963396 [0,1,0,0,0,1|2,0,0]=4 5025 B11R1.159 Nc1c(C(=O)O)ccnc1F Amb26494419 [0,1,0,0,0,1|2,0,0]=4 5026 B11R1.159 Nc1c(C(=O)O)ccnc1S Amb18198916 [0,1,0,0,0,1|2,0,0]=4 5027 B11R1.159 Nc1c(Cl)cccc1C(=O)O Amb1223239 [0,1,0,0,0,1|2,0,0]=4 5028 B11R1.159 Nc1c(Cl)ccnc1C(=O)O Amb27464699 [0,1,0,0,0,1|2,0,0]=4 5029 B11R1.159 Nc1c(Cl)cncc1C(=O)O Amb16231950 [0,1,0,0,0,1|2,0,0]=4 5030 B11R1.159 Nc1c(F)cccc1C(=O)O Amb2608596 [0,1,0,0,0,1|2,0,0]=4 5031 B11R1.159 Nc1c(F)ccnc1C(=O)O Amb25976565 [0,1,0,0,0,1|2,0,0]=4 5032 B11R1.159 Nc1c(F)cncc1C(=O)O Amb22498564 [0,1,0,0,0,1|2,0,0]=4 5033 B11R1.159 Nc1c(I)cccc1C(=O)O Amb7784298 [0,1,0,0,0,1|2,0,0]=4 5034 B11R1.159 Nc1c(I)cncc1C(=O)O Amb22498559 [0,1,0,0,0,1|2,0,0]=4 5035 B11R1.159 Nc1c(O)cccc1C(=O)O Amb4418489 [0,1,0,0,0,1|2,0,0]=4 5036 B11R1.159 Nc1c(O)cccc1C(=O)O Amb6296629 [0,1,0,0,0,1|2,0,0]=4 5037 B11R1.159 Nc1c(S)cccc1C(=O)O Amb18938265 [0,1,0,0,0,1|2,0,0]=4 5038 B11R1.159 Nc1cccc(C(=O)O)c1Br Amb10842077 [0,1,0,0,0,1|2,0,0]=4 5039 B11R1.159 Nc1cccc(C(=O)O)c1Cl Amb6296789 [0,1,0,0,0,1|2,0,0]=4 5040 B11R1.159 Nc1cccc(C(=O)O)c1F Amb6298253 [0,1,0,0,0,1|2,0,0]=4 5041 B11R1.159 Nc1cccc(C(=O)O)c1I Amb10842076 [0,1,0,0,0,1|2,0,0]=4 5042 B11R1.159 Nc1cccc(C(=O)O)c1N Amb1094141 [0,1,0,0,0,1|2,0,0]=4 5043 B11R1.159 Nc1cccc(C(=O)O)c1N Amb22283993 [0,1,0,0,0,1|2,0,0]=4 5044 B11R1.159 Nc1cccc(C(=O)O)c1O Amb1043752 [0,1,0,0,0,1|2,0,0]=4 5045 B11R1.159 Nc1cccc(C(=O)O)c1S Amb24710021 [0,1,0,0,0,1|2,0,0]=4 5046 B11R1.159 Nc1ccnc(C(=O)O)c1Br Amb26568178 [0,1,0,0,0,1|2,0,0]=4 5047 B11R1.159 Nc1ccnc(C(=O)O)c1Cl Amb2697545 [0,1,0,0,0,1|2,0,0]=4 5048 B11R1.159 Nc1ccnc(C(=O)O)c1Cl Amb33620571 [0,1,0,0,0,1|2,0,0]=4 5049 B11R1.159 Nc1ccnc(C(=O)O)c1F Amb26575255 [0,1,0,0,0,1|2,0,0]=4 5050 B11R1.159 Nc1ccnc(C(=O)O)c1N Amb27172292 [0,1,0,0,0,1|2,0,0]=4 5051 B11R1.159 Nc1ccnc(C(=O)O)c1O Amb27186184 [0,1,0,0,0,1|2,0,0]=4 5052 B11R1.159 Nc1cncc(C(=O)O)c1Br Amb27769161 [0,1,0,0,0,1|2,0,0]=4 5053 B11R1.159 Nc1cncc(C(=O)O)c1Cl Amb25681892 [0,1,0,0,0,1|2,0,0]=4 5054 B11R1.159 Nc1cncc(C(=O)O)c1F Amb27864484 [0,1,0,0,0,1|2,0,0]=4 5055 B11R1.159 Nc1cncc(C(=O)O)c1N Amb25715266 [0,1,0,0,0,1|2,0,0]=4 5056 B11R1.159 Nc1nccc(C(=O)O)c1Br Amb26867994 [0,1,0,0,0,1|2,0,0]=4 5057 B11R1.159 Nc1nccc(C(=O)O)c1Cl Amb26328860 [0,1,0,0,0,1|2,0,0]=4 5058 B11R1.159 Nc1nccc(C(=O)O)c1F Amb25891413 [0,1,0,0,0,1|2,0,0]=4 5059 B11R1.159 Nc1nccc(C(=O)O)c1N Amb17097726 [0,1,0,0,0,1|2,0,0]=4 5060 B11R1.159 Nc1nccc(C(=O)O)c1N Amb28652871 [0,1,0,0,0,1|2,0,0]=4 5061 B11R1.159 Nc1ncnc(C(=O)O)c1Cl Amb19958369 [0,1,0,0,0,1|2,0,0]=4 5062 B11R1.159 Nc1ncnc(C(=O)O)c1I Amb32417395 [0,1,0,0,0,1|2,0,0]=4 5063 B11R1.159 Nc1ncnc(C(=O)O)c1N Amb26539828 [0,1,0,0,0,1|2,0,0]=4 5064 B11R1.159 O=C(O)C1=C(Cl)C(=O)NC=N1 Amb21858614 [0,1,0,0,0,1|2,0,0]=4 5065 B11R1.159 O=C(O)C1=C(O)C(=O)C=CO1 Amb27400361 [0,1,0,0,0,1|2,0,0]=4 5066 B11R1.159 O=C(O)C1=C(O)C(=O)NC=C1 Amb18200553 [0,1,0,0,0,1|2,0,0]=4 5067 B11R1.159 O=C(O)C1=CNC=C(Cl)C1=O Amb25893323 [0,1,0,0,0,1|2,0,0]=4 5068 B11R1.159 O=C(O)C1=CNC=C(I)C1=O Amb28207203 [0,1,0,0,0,1|2,0,0]=4 5069 B11R1.159 O=C(O)c1cccc(Br)c1Br Amb22228260 [0,1,0,0,0,1|2,0,0]=4 5070 B11R1.159 O=C(O)c1cccc(Br)c1Cl Amb16231626 [0,1,0,0,0,1|2,0,0]=4 5071 B11R1.159 O=C(O)c1cccc(Br)c1F Amb2685189 [0,1,0,0,0,1|2,0,0]=4 5072 B11R1.159 O=C(O)c1cccc(Br)c1I Amb20634419 [0,1,0,0,0,1|2,0,0]=4 5073 B11R1.159 O=C(O)c1cccc(Br)c1O Amb6298168 [0,1,0,0,0,1|2,0,0]=4 5074 B11R1.159 O=C(O)c1cccc(Cl)c1Br Amb19888103 [0,1,0,0,0,1|2,0,0]=4 5075 B11R1.159 O=C(O)c1cccc(Cl)c1Cl Amb1207372 [0,1,0,0,0,1|2,0,0]=4 5076 B11R1.159 O=C(O)c1cccc(Cl)c1F Amb2447457 [0,1,0,0,0,1|2,0,0]=4 5077 B11R1.159 O=C(O)c1cccc(Cl)c1I Amb20076024 [0,1,0,0,0,1|2,0,0]=4 5078 B11R1.159 O=C(O)c1cccc(Cl)c1O Amb7764649 [0,1,0,0,0,1|2,0,0]=4 5079 B11R1.159 O=C(O)c1cccc(Cl)c1S Amb18650043 [0,1,0,0,0,1|2,0,0]=4 5080 B11R1.159 O=C(O)c1cccc(F)c1Br Amb2685187 [0,1,0,0,0,1|2,0,0]=4 5081 B11R1.159 O=C(O)c1cccc(F)c1Cl Amb2685947 [0,1,0,0,0,1|2,0,0]=4 5082 B11R1.159 O=C(O)c1cccc(F)c1F Amb2687070 [0,1,0,0,0,1|2,0,0]=4 5083 B11R1.159 O=C(O)c1cccc(F)c1I Amb8397074 [0,1,0,0,0,1|2,0,0]=4 5084 B11R1.159 O=C(O)c1cccc(F)c1O Amb33528918 [0,1,0,0,0,1|2,0,0]=4 5085 B11R1.159 O=C(O)c1cccc(F)c1S Amb18947820 [0,1,0,0,0,1|2,0,0]=4 5086 B11R1.159 O=C(O)c1cccc(I)c1Br Amb10976054 [0,1,0,0,0,1|2,0,0]=4 5087 B11R1.159 O=C(O)c1cccc(I)c1Cl Amb22166862 [0,1,0,0,0,1|2,0,0]=4 5088 B11R1.159 O=C(O)c1cccc(I)c1F Amb8628761 [0,1,0,0,0,1|2,0,0]=4 5089 B11R1.159 O=C(O)c1cccc(I)c1I Amb25733022 [0,1,0,0,0,1|2,0,0]=4 5090 B11R1.159 O=C(O)c1cccc(I)c1O Amb25890548 [0,1,0,0,0,1|2,0,0]=4 5091 B11R1.159 O=C(O)c1cccc(O)c1Br Amb18171413 [0,1,0,0,0,1|2,0,0]=4 5092 B11R1.159 O=C(O)c1cccc(O)c1Cl Amb22001548 [0,1,0,0,0,1|2,0,0]=4 5093 B11R1.159 O=C(O)c1cccc(O)c1F Amb2697884 [0,1,0,0,0,1|2,0,0]=4 5094 B11R1.159 O=C(O)c1cccc(O)c1I Amb25890501 [0,1,0,0,0,1|2,0,0]=4 5095 B11R1.159 O=C(O)c1cccc(O)c1O Amb2721163 [0,1,0,0,0,1|2,0,0]=4 5096 B11R1.159 O=C(O)c1cccc(O)c1S Amb25920759 [0,1,0,0,0,1|2,0,0]=4 5097 B11R1.159 O=C(O)c1cccc(S)c1Br Amb28284809 [0,1,0,0,0,1|2,0,0]=4 5098 B11R1.159 O=C(O)c1cccc(S)c1Cl Amb24334625 [0,1,0,0,0,1|2,0,0]=4 5099 B11R1.159 O=C(O)c1cccc(S)c1F Amb26480110 [0,1,0,0,0,1|2,0,0]=4 5100 B11R1.159 O=C(O)c1cccc(S)c1I Amb26470770 [0,1,0,0,0,1|2,0,0]=4 5101 B11R1.159 O=C(O)c1cccc(S)c1O Amb18647320 [0,1,0,0,0,1|2,0,0]=4 5102 B11R1.159 O=C(O)c1cccc(S)c1S Amb27878723 [0,1,0,0,0,1|2,0,0]=4 5103 B11R1.159 O=C(O)c1ccnc(Br)c1Br Amb10071175 [0,1,0,0,0,1|2,0,0]=4 5104 B11R1.159 O=C(O)c1ccnc(Br)c1Cl Amb21856442 [0,1,0,0,0,1|2,0,0]=4 5105 B11R1.159 O=C(O)c1ccnc(Br)c1F Amb22235587 [0,1,0,0,0,1|2,0,0]=4 5106 B11R1.159 O=C(O)c1ccnc(Br)c1O Amb27606297 [0,1,0,0,0,1|2,0,0]=4 5107 B11R1.159 O=C(O)c1ccnc(Cl)c1Br Amb19929475 [0,1,0,0,0,1|2,0,0]=4 5108 B11R1.159 O=C(O)c1ccnc(Cl)c1Cl Amb6384156 [0,1,0,0,0,1|2,0,0]=4 5109 B11R1.159 O=C(O)c1ccnc(Cl)c1F Amb2686006 [0,1,0,0,0,1|2,0,0]=4 5110 B11R1.159 O=C(O)c1ccnc(Cl)c1I Amb26409336 [0,1,0,0,0,1|2,0,0]=4 5111 B11R1.159 O=C(O)c1ccnc(Cl)c1O Amb33542977 [0,1,0,0,0,1|2,0,0]=4 5112 B11R1.159 O=C(O)c1ccnc(F)c1Br Amb28123222 [0,1,0,0,0,1|2,0,0]=4 5113 B11R1.159 O=C(O)c1ccnc(F)c1Cl Amb8390110 [0,1,0,0,0,1|2,0,0]=4 5114 B11R1.159 O=C(O)c1ccnc(F)c1F Amb8390115 [0,1,0,0,0,1|2,0,0]=4 5115 B11R1.159 O=C(O)c1ccnc(F)c1I Amb27879005 [0,1,0,0,0,1|2,0,0]=4 5116 B11R1.159 O=C(O)c1ccnc(O)c1Br Amb25028146 [0,1,0,0,0,1|2,0,0]=4 5117 B11R1.159 O=C(O)c1ccnc(O)c1Cl Amb26977343 [0,1,0,0,0,1|2,0,0]=4 5118 B11R1.159 O=C(O)c1ccnc(O)c1F Amb25152815 [0,1,0,0,0,1|2,0,0]=4 5119 B11R1.159 O=C(O)c1cncc(Br)c1Cl Amb22491791 [0,1,0,0,0,1|2,0,0]=4 5120 B11R1.159 O=C(O)c1cncc(Br)c1F Amb27438113 [0,1,0,0,0,1|2,0,0]=4 5121 B11R1.159 O=C(O)c1cncc(Br)c1I Amb22263318 [0,1,0,0,0,1|2,0,0]=4 5122 B11R1.159 O=C(O)c1cncc(Br)c1O Amb19958699 [0,1,0,0,0,1|2,0,0]=4 5123 B11R1.159 O=C(O)c1cncc(Cl)c1Br Amb28061317 [0,1,0,0,0,1|2,0,0]=4 5124 B11R1.159 O=C(O)c1cncc(Cl)c1Cl Amb10071909 [0,1,0,0,0,1|2,0,0]=4 5125 B11R1.159 O=C(O)c1cncc(Cl)c1F Amb26434224 [0,1,0,0,0,1|2,0,0]=4 5126 B11R1.159 O=C(O)c1cncc(F)c1Br Amb26654714 [0,1,0,0,0,1|2,0,0]=4 5127 B11R1.159 O=C(O)c1cncc(F)c1Cl Amb22546698 [0,1,0,0,0,1|2,0,0]=4 5128 B11R1.159 O=C(O)c1cncc(F)c1F Amb28286957 [0,1,0,0,0,1|2,0,0]=4 5129 B11R1.159 O=C(O)c1cncc(F)c1I Amb27445156 [0,1,0,0,0,1|2,0,0]=4 5130 B11R1.159 O=C(O)c1cncc(F)c1O Amb24099314 [0,1,0,0,0,1|2,0,0]=4 5131 B11R1.159 O=C(O)c1cncc(I)c1Cl Amb28249025 [0,1,0,0,0,1|2,0,0]=4 5132 B11R1.159 O=C(O)c1cncc(I)c1F Amb25249248 [0,1,0,0,0,1|2,0,0]=4 5133 B11R1.159 O=C(O)c1cncc(O)c1Br Amb24505564 [0,1,0,0,0,1|2,0,0]=4 5134 B11R1.159 O=C(O)c1cncc(O)c1F Amb27431960 [0,1,0,0,0,1|2,0,0]=4 5135 B11R1.159 O=C(O)c1nccc(Br)c1Br Amb28143202 [0,1,0,0,0,1|2,0,0]=4 5136 B11R1.159 O=C(O)c1nccc(Br)c1Cl Amb25246210 [0,1,0,0,0,1|2,0,0]=4 5137 B11R1.159 O=C(O)c1nccc(Br)c1F Amb26004041 [0,1,0,0,0,1|2,0,0]=4 5138 B11R1.159 O=C(O)c1nccc(Br)c1I Amb28398039 [0,1,0,0,0,1|2,0,0]=4 5139 B11R1.159 O=C(O)c1nccc(Br)c1O Amb27617463 [0,1,0,0,0,1|2,0,0]=4 5140 B11R1.159 O=C(O)c1nccc(Br)c1O Amb35749343 [0,1,0,0,0,1|2,0,0]=4 5141 B11R1.159 O=C(O)c1nccc(Cl)c1Br Amb25996578 [0,1,0,0,0,1|2,0,0]=4 5142 B11R1.159 O=C(O)c1nccc(Cl)c1Cl Amb21963505 [0,1,0,0,0,1|2,0,0]=4 5143 B11R1.159 O=C(O)c1nccc(Cl)c1F Amb22491070 [0,1,0,0,0,1|2,0,0]=4 5144 B11R1.159 O=C(O)c1nccc(Cl)c1O Amb22057869 [0,1,0,0,0,1|2,0,0]=4 5145 B11R1.159 O=C(O)c1nccc(F)c1Br Amb25028147 [0,1,0,0,0,1|2,0,0]=4 5146 B11R1.159 O=C(O)c1nccc(F)c1Cl Amb26980826 [0,1,0,0,0,1|2,0,0]=4 5147 B11R1.159 O=C(O)c1nccc(F)c1F Amb24511721 [0,1,0,0,0,1|2,0,0]=4 5148 B11R1.159 O=C(O)c1nccc(F)c1I Amb24707897 [0,1,0,0,0,1|2,0,0]=4 5149 B11R1.159 O=C(O)c1nccc(F)c1O Amb25352096 [0,1,0,0,0,1|2,0,0]=4 5150 B11R1.159 O=C(O)c1nccc(I)c1F Amb26900285 [0,1,0,0,0,1|2,0,0]=4 5151 B11R1.159 O=C(O)c1nccc(O)c1Br Amb25208591 [0,1,0,0,0,1|2,0,0]=4 5152 B11R1.159 O=C(O)c1nccc(O)c1Cl Amb27617270 [0,1,0,0,0,1|2,0,0]=4 5153 B11R1.159 O=C(O)c1nccc(O)c1O Amb24740856 [0,1,0,0,0,1|2,0,0]=4 5154 B11R1.159 O=C(O)c1ncnc(Cl)c1F Amb27763325 [0,1,0,0,0,1|2,0,0]=4 5155 B11R1.159 O=C(O)c1ncnc(O)c1F Amb3994409 [0,1,0,0,0,1|2,0,0]=4 5156 B11R1.159 O=C(O)c1ncnc(O)c1O Amb22755742 [0,1,0,0,0,1|2,0,0]=4 5157 B11R1.159 [NH3+]c1cccc(C(=O)O)c1O Amb22641593 [0,1,0,0,0,1|2,0,0]=4 5158 B11R1.167 CC(=O)C1=CC(C)=NNC1=O Amb18212368 [0,1,0,0,0,1|2,0,0]=4 5159 B11R1.167 CC(=O)c1cc(C)ccc1Br Amb8427146 [0,1,0,0,0,1|2,0,0]=4 5160 B11R1.167 CC(=O)c1cc(C)ccc1C Amb6356940 [0,1,0,0,0,1|2,0,0]=4 5161 B11R1.167 CC(=O)c1cc(C)ccc1Cl Amb8427145 [0,1,0,0,0,1|2,0,0]=4 5162 B11R1.167 CC(=O)c1cc(C)ccc1F Amb8397101 [0,1,0,0,0,1|2,0,0]=4 5163 B11R1.167 CC(=O)c1cc(C)ccc1I Amb25775991 [0,1,0,0,0,1|2,0,0]=4 5164 B11R1.167 CC(=O)c1cc(C)ccc1N Amb18124987 [0,1,0,0,0,1|2,0,0]=4 5165 B11R1.167 CC(=O)c1cc(C)ccc1O Amb6323798 [0,1,0,0,0,1|2,0,0]=4 5166 B11R1.167 CC(=O)c1cc(C)cnc1C Amb26910707 [0,1,0,0,0,1|2,0,0]=4 5167 B11R1.167 CC(=O)c1cc(C)cnc1F Amb24648717 [0,1,0,0,0,1|2,0,0]=4 5168 B11R1.167 CC(=O)c1cc(C)cnc1N Amb27398014 [0,1,0,0,0,1|2,0,0]=4 5169 B11R1.167 CC(=O)c1cc(C)cnc1O Amb25891687 [0,1,0,0,0,1|2,0,0]=4 5170 B11R1.167 CC(=O)c1cc(C)ncc1Br Amb27751759 [0,1,0,0,0,1|2,0,0]=4 5171 B11R1.167 CC1=CNC(=N)C=C1C(=O)O Amb24532996 [0,1,0,0,0,1|2,0,0]=4 5172 B11R1.167 CC1=CNC(=O)C(C(=O)O)=C1 Amb18947810 [0,1,0,0,0,1|1,0,0]=3 5173 B11R1.167 CC1=CNC(=O)C=C1C(=O)O Amb18201203 [0,1,0,0,0,1|2,0,0]=4 5174 B11R1.167 CC1=COC(=O)C(C(=O)O)=C1 Amb27614427 [0,1,0,0,0,1|0,1,0]=3 5175 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 Amb18528746 [0,1,0,0,0,1|1,0,0]=3 5176 B11R1.167 CC1=NNC(=O)C(C(N)=O)=C1 Amb27650536 [0,1,0,0,0,1|2,0,0]=4 5177 B11R1.167 CC1=NNC(=O)C=C1C(=O)O Amb26893178 [0,1,0,0,0,1|2,0,0]=4 5178 B11R1.167 CC1=NNC(C)=C(C(=O)O)C1 Amb27860481 [0,1,0,0,0,1|1,0,1]=4 5179 B11R1.167 CN1C=CC(=N)C(C(=O)O)=C1 Amb27607673 [0,1,0,0,0,1|2,0,0]=4 5180 B11R1.167 CN1C=CC(=O)C(C(=O)O)=C1 Amb21811937 [0,1,0,0,0,1|2,0,0]=4 5181 B11R1.167 CN1C=CC(=S)C=C1C(=O)O Amb27983668 [0,1,0,0,0,1|2,0,0]=4 5182 B11R1.167 CN1C=NC(=O)C(C(=O)O)=C1 Amb24684989 [0,1,0,0,0,1|2,0,0]=4 5183 B11R1.167 Cc1[nH+]cc(Cl)cc1C(=O)O Amb24113236 [0,1,0,0,0,1|2,0,0]=4 5184 B11R1.167 Cc1cc(C(=O)O)c(Br)cn1 Amb18770697 [0,1,0,0,0,1|1,0,0]=3 5185 B11R1.167 Cc1cc(C(=O)O)c(C)cn1 Amb25172790 [0,1,0,0,0,1|1,0,0]=3 5186 B11R1.167 Cc1cc(C(=O)O)c(C)cn1 Amb33329092 [0,1,0,0,0,1|1,0,0]=3 5187 B11R1.167 Cc1cc(C(=O)O)c(C)nn1 Amb5757305 [0,1,0,0,0,1|1,0,0]=3 5188 B11R1.167 Cc1cc(C(=O)O)c(Cl)cn1 Amb22235316 [0,1,0,0,0,1|1,0,0]=3 5189 B11R1.167 Cc1cc(C(=O)O)c(Cl)nn1 Amb10067328 [0,1,0,0,0,1|1,0,0]=3 5190 B11R1.167 Cc1cc(C(=O)O)c(F)cn1 Amb18830926 [0,1,0,0,0,1|1,0,0]=3 5191 B11R1.167 Cc1cc(C(=O)O)c(N)cn1 Amb18201420 [0,1,0,0,0,1|1,0,0]=3 5192 B11R1.167 Cc1cc(C(=O)O)c(N)cn1 Amb22405967 [0,1,0,0,0,1|1,0,0]=3 5193 B11R1.167 Cc1cc(C(=O)O)c(O)cn1 Amb22587559 [0,1,0,0,0,1|1,0,0]=3 5194 B11R1.167 Cc1cc(C(N)=O)c(N)nn1 Amb8439488 [0,1,0,0,0,1|2,0,0]=4 5195 B11R1.167 Cc1ccc(Br)c(C(=O)Cl)c1 Amb8384795 [0,1,0,0,0,1|2,0,0]=4 5196 B11R1.167 Cc1ccc(Br)c(C(=O)O)c1 Amb2685316 [0,1,0,0,0,1|1,0,0]=3 5197 B11R1.167 Cc1ccc(Br)c(C(=O)O)n1 Amb21962442 [0,1,0,0,0,1|2,0,0]=4 5198 B11R1.167 Cc1ccc(Br)c(C(=O)O)n1 Amb31204727 [0,1,0,0,0,1|2,0,0]=4 5199 B11R1.167 Cc1ccc(Br)cc1C(=O)O Amb2610499 [0,1,0,0,0,1|2,0,0]=4 5200 B11R1.167 Cc1ccc(C)c(C(=O)Cl)c1 Amb6743388 [0,1,0,0,0,1|2,0,0]=4 5201 B11R1.167 Cc1ccc(C)c(C(=O)O)c1 Amb6335835 [0,1,0,0,0,1|1,0,0]=3 5202 B11R1.167 Cc1ccc(C)c(C(=O)O)n1 Amb18125241 [0,1,0,0,0,1|2,0,0]=4 5203 B11R1.167 Cc1ccc(C)c(C(=O)O)n1 Amb33482660 [0,1,0,0,0,1|2,0,0]=4 5204 B11R1.167 Cc1ccc(C)c(C(N)=O)c1 Amb3747623 [0,1,0,0,0,1|2,0,0]=4 5205 B11R1.167 Cc1ccc(C)c(C(O)=S)c1 Amb27236265 [0,1,0,0,0,1|1,1,0]=4 5206 B11R1.167 Cc1ccc(C)c(S(=O)O)c1 Amb18065476 [0,1,0,0,0,1|2,0,0]=4 5207 B11R1.167 Cc1ccc(Cl)c(C(=O)Cl)c1 Amb19891039 [0,1,0,0,0,1|2,0,0]=4 5208 B11R1.167 Cc1ccc(Cl)c(C(=O)O)c1 Amb2686193 [0,1,0,0,0,1|1,0,0]=3 5209 B11R1.167 Cc1ccc(Cl)c(C(=O)O)n1 Amb22002135 [0,1,0,0,0,1|2,0,0]=4 5210 B11R1.167 Cc1ccc(Cl)c(C(N)=O)c1 Amb22043941 [0,1,0,0,0,1|2,0,0]=4 5211 B11R1.167 Cc1ccc(Cl)cc1C(=O)O Amb2686197 [0,1,0,0,0,1|2,0,0]=4 5212 B11R1.167 Cc1ccc(F)c(C(=O)Cl)c1 Amb2684162 [0,1,0,0,0,1|2,0,0]=4 5213 B11R1.167 Cc1ccc(F)c(C(=O)O)c1 Amb2684161 [0,1,0,0,0,1|1,0,0]=3 5214 B11R1.167 Cc1ccc(F)c(C(=O)O)n1 Amb19895374 [0,1,0,0,0,1|2,0,0]=4 5215 B11R1.167 Cc1ccc(F)c(C(N)=O)c1 Amb18799450 [0,1,0,0,0,1|2,0,0]=4 5216 B11R1.167 Cc1ccc(F)cc1C(=O)O Amb1229971 [0,1,0,0,0,1|2,0,0]=4 5217 B11R1.167 Cc1ccc(I)c(C(=O)Cl)c1 Amb24581143 [0,1,0,0,0,1|2,0,0]=4 5218 B11R1.167 Cc1ccc(I)c(C(=O)O)c1 Amb2688854 [0,1,0,0,0,1|1,0,0]=3 5219 B11R1.167 Cc1ccc(I)c(C(=O)O)n1 Amb28040736 [0,1,0,0,0,1|2,0,0]=4 5220 B11R1.167 Cc1ccc(I)c(C(N)=O)c1 Amb2760421 [0,1,0,0,0,1|2,0,0]=4 5221 B11R1.167 Cc1ccc(I)cc1C(=O)O Amb17835261 [0,1,0,0,0,1|2,0,0]=4 5222 B11R1.167 Cc1ccc(N)c(C(=O)O)c1 Amb1353188 [0,1,0,0,0,1|1,0,0]=3 5223 B11R1.167 Cc1ccc(N)c(C(=O)O)n1 Amb23439084 [0,1,0,0,0,1|2,0,0]=4 5224 B11R1.167 Cc1ccc(N)c(C(N)=O)c1 Amb33530720 [0,1,0,0,0,1|2,0,0]=4 5225 B11R1.167 Cc1ccc(N)c(S(=O)O)c1 Amb28325030 [0,1,0,0,0,1|2,0,0]=4 5226 B11R1.167 Cc1ccc(N)cc1C(=O)O Amb2716204 [0,1,0,0,0,1|2,0,0]=4 5227 B11R1.167 Cc1ccc(O)c(C(=O)O)c1 Amb3429668 [0,1,0,0,0,1|1,0,0]=3 5228 B11R1.167 Cc1ccc(O)c(C(=O)O)n1 Amb33547036 [0,1,0,0,0,1|2,0,0]=4 5229 B11R1.167 Cc1ccc(O)c(C(N)=O)c1 Amb6671843 [0,1,0,0,0,1|2,0,0]=4 5230 B11R1.167 Cc1ccc(O)cc1C(=O)O Amb8384398 [0,1,0,0,0,1|2,0,0]=4 5231 B11R1.167 Cc1ccc(S)c(C(=O)O)c1 Amb18280213 [0,1,0,0,0,1|1,0,0]=3 5232 B11R1.167 Cc1ccc(S)cc1C(=O)O Amb25310962 [0,1,0,0,0,1|2,0,0]=4 5233 B11R1.167 Cc1cnc(Br)cc1C(=O)O Amb25940162 [0,1,0,0,0,1|2,0,0]=4 5234 B11R1.167 Cc1cnc(C)c(C(=O)Cl)c1 Amb27259939 [0,1,0,0,0,1|2,0,0]=4 5235 B11R1.167 Cc1cnc(C)c(C(=O)O)c1 Amb18201737 [0,1,0,0,0,1|1,0,0]=3 5236 B11R1.167 Cc1cnc(C)c(C(=O)O)n1 Amb21963728 [0,1,0,0,0,1|2,0,0]=4 5237 B11R1.167 Cc1cnc(Cl)c(C(=O)Cl)c1 Amb24625552 [0,1,0,0,0,1|2,0,0]=4 5238 B11R1.167 Cc1cnc(Cl)c(C(=O)O)c1 Amb13883502 [0,1,0,0,0,1|1,0,0]=3 5239 B11R1.167 Cc1cnc(Cl)c(C(=O)O)n1 Amb25891634 [0,1,0,0,0,1|2,0,0]=4 5240 B11R1.167 Cc1cnc(Cl)cc1C(=O)O Amb26356253 [0,1,0,0,0,1|2,0,0]=4 5241 B11R1.167 Cc1cnc(F)c(C(=O)O)c1 Amb22489997 [0,1,0,0,0,1|1,0,0]=3 5242 B11R1.167 Cc1cnc(F)cc1C(=O)O Amb25831026 [0,1,0,0,0,1|2,0,0]=4 5243 B11R1.167 Cc1cnc(I)c(C(=O)O)c1 Amb27646762 [0,1,0,0,0,1|1,0,0]=3 5244 B11R1.167 Cc1cnc(N)c(C(=O)O)c1 Amb10602227 [0,1,0,0,0,1|1,0,0]=3 5245 B11R1.167 Cc1cnc(N)c(C(=O)O)n1 Amb25724930 [0,1,0,0,0,1|2,0,0]=4 5246 B11R1.167 Cc1cnc(N)c(C(N)=O)c1 Amb21857312 [0,1,0,0,0,1|2,0,0]=4 5247 B11R1.167 Cc1cnc(O)c(C(=O)O)n1 Amb8009796 [0,1,0,0,0,1|2,0,0]=4 5248 B11R1.167 Cc1ncc(Br)c(C(=O)O)n1 Amb2591556 [0,1,0,0,0,1|2,0,0]=4 5249 B11R1.167 Cc1ncc(Br)cc1C(=O)O Amb21857129 [0,1,0,0,0,1|2,0,0]=4 5250 B11R1.167 Cc1ncc(C)c(C(=O)O)n1 Amb25831147 [0,1,0,0,0,1|2,0,0]=4 5251 B11R1.167 Cc1ncc(Cl)c(C(=O)O)n1 Amb8630228 [0,1,0,0,0,1|2,0,0]=4 5252 B11R1.167 Cc1ncc(Cl)cc1C(=O)O Amb17597688 [0,1,0,0,0,1|2,0,0]=4 5253 B11R1.167 Cc1ncc(F)cc1C(=O)O Amb26953012 [0,1,0,0,0,1|2,0,0]=4 5254 B11R1.167 Cc1ncc(I)cc1C(=O)O Amb23412010 [0,1,0,0,0,1|2,0,0]=4 5255 B11R1.167 Cc1ncc(N)c(C(=O)O)n1 Amb17065427 [0,1,0,0,0,1|2,0,0]=4 5256 B11R1.167 Cc1ncc(N)cc1C(=O)O Amb18278790 [0,1,0,0,0,1|2,0,0]=4 5257 B11R1.167 Cc1nnc(C)c(C(=O)O)n1 Amb24750017 [0,1,0,0,0,1|2,0,0]=4 5258 B11R1.167 Cn1ccc(=S)c(C(=O)O)c1 Amb2612011 [0,1,0,0,0,1|2,0,0]=4 5259 B11R1.167 NC1=CNC(=O)C(C(=O)O)=C1 Amb18065076 [0,1,0,0,0,1|2,0,0]=4 5260 B11R1.167 Nc1cc(C(=O)O)c(Br)cn1 Amb20242860 [0,1,0,0,0,1|2,0,0]=4 5261 B11R1.167 Nc1cc(C(=O)O)c(Cl)cn1 Amb25336447 [0,1,0,0,0,1|2,0,0]=4 5262 B11R1.167 Nc1cc(C(=O)O)c(F)cn1 Amb25892508 [0,1,0,0,0,1|2,0,0]=4 5263 B11R1.167 Nc1cc(C(=O)O)c(N)cn1 Amb25891598 [0,1,0,0,0,1|2,0,0]=4 5264 B11R1.167 Nc1ccc(Br)c(C(=O)O)c1 Amb6298248 [0,1,0,0,0,1|2,0,0]=4 5265 B11R1.167 Nc1ccc(Br)cc1C(=O)O Amb6364862 [0,1,0,0,0,1|2,0,0]=4 5266 B11R1.167 Nc1ccc(Cl)c(C(=O)O)c1 Amb2684371 [0,1,0,0,0,1|2,0,0]=4 5267 B11R1.167 Nc1ccc(Cl)cc1C(=O)O Amb1353189 [0,1,0,0,0,1|2,0,0]=4 5268 B11R1.167 Nc1ccc(Cl)cc1C(=O)O Amb2695796 [0,1,0,0,0,1|2,0,0]=4 5269 B11R1.167 Nc1ccc(F)c(C(=O)O)c1 Amb2684412 [0,1,0,0,0,1|2,0,0]=4 5270 B11R1.167 Nc1ccc(F)cc1C(=O)O Amb1104986 [0,1,0,0,0,1|2,0,0]=4 5271 B11R1.167 Nc1ccc(I)cc1C(=O)O Amb1233201 [0,1,0,0,0,1|2,0,0]=4 5272 B11R1.167 Nc1ccc(N)c(C(=O)O)c1 Amb4139702 [0,1,0,0,0,1|2,0,0]=4 5273 B11R1.167 Nc1ccc(N)c(C(=O)O)c1 Amb6874952 [0,1,0,0,0,1|2,0,0]=4 5274 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 Amb1072203 [0,1,0,0,0,1|2,0,0]=4 5275 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 Amb24081346 [0,1,0,0,0,1|2,0,0]=4 5276 B11R1.167 Nc1ccc(O)cc1C(=O)O Amb534955 [0,1,0,0,0,1|2,0,0]=4 5277 B11R1.167 Nc1ccc(S)c(C(=O)O)c1 Amb20620211 [0,1,0,0,0,1|2,0,0]=4 5278 B11R1.167 Nc1ccc(S)cc1C(=O)O Amb27614432 [0,1,0,0,0,1|2,0,0]=4 5279 B11R1.167 Nc1cnc(Br)c(C(=O)O)c1 Amb23586145 [0,1,0,0,0,1|2,0,0]=4 5280 B11R1.167 Nc1cnc(Br)cc1C(=O)O Amb21964483 [0,1,0,0,0,1|2,0,0]=4 5281 B11R1.167 Nc1cnc(Cl)c(C(=O)O)c1 Amb10601436 [0,1,0,0,0,1|2,0,0]=4 5282 B11R1.167 Nc1cnc(Cl)cc1C(=O)O Amb8396909 [0,1,0,0,0,1|2,0,0]=4 5283 B11R1.167 Nc1cnc(F)c(C(=O)O)c1 Amb26897310 [0,1,0,0,0,1|2,0,0]=4 5284 B11R1.167 Nc1cnc(F)cc1C(=O)O Amb2697483 [0,1,0,0,0,1|2,0,0]=4 5285 B11R1.167 Nc1cnc(I)cc1C(=O)O Amb24615744 [0,1,0,0,0,1|2,0,0]=4 5286 B11R1.167 Nc1cnc(O)cc1C(=O)O Amb18831042 [0,1,0,0,0,1|2,0,0]=4 5287 B11R1.167 Nc1ncc(Br)cc1C(=O)O Amb19516408 [0,1,0,0,0,1|2,0,0]=4 5288 B11R1.167 Nc1ncc(Br)cc1C(=O)O Amb3918884 [0,1,0,0,0,1|2,0,0]=4 5289 B11R1.167 Nc1ncc(Cl)cc1C(=O)O Amb7172900 [0,1,0,0,0,1|2,0,0]=4 5290 B11R1.167 Nc1ncc(F)cc1C(=O)O Amb13889725 [0,1,0,0,0,1|2,0,0]=4 5291 B11R1.167 Nc1ncc(I)cc1C(=O)O Amb17621453 [0,1,0,0,0,1|2,0,0]=4 5292 B11R1.167 Nc1ncc(O)cc1C(=O)O Amb26399098 [0,1,0,0,0,1|2,0,0]=4 5293 B11R1.167 Nc1ncc(O)cc1C(=O)O Amb28652872 [0,1,0,0,0,1|2,0,0]=4 5294 B11R1.167 O=C(O)C1=CC(Br)=CNC1=O Amb33549749 [0,1,0,0,0,1|2,0,0]=4 5295 B11R1.167 O=C(O)C1=CC(Br)=CNC1=S Amb19304462 [0,1,0,0,0,1|2,0,0]=4 5296 B11R1.167 O=C(O)C1=CC(Cl)=NNC1=O Amb18533285 [0,1,0,0,0,1|2,0,0]=4 5297 B11R1.167 O=C(O)c1cc(Br)ccc1Br Amb3941526 [0,1,0,0,0,1|2,0,0]=4 5298 B11R1.167 O=C(O)c1cc(Br)ccc1Cl Amb264314 [0,1,0,0,0,1|2,0,0]=4 5299 B11R1.167 O=C(O)c1cc(Br)ccc1F Amb1233202 [0,1,0,0,0,1|2,0,0]=4 5300 B11R1.167 O=C(O)c1cc(Br)ccc1I Amb1107594 [0,1,0,0,0,1|2,0,0]=4 5301 B11R1.167 O=C(O)c1cc(Br)ccc1O Amb1934189 [0,1,0,0,0,1|2,0,0]=4 5302 B11R1.167 O=C(O)c1cc(Br)ccc1S Amb18134858 [0,1,0,0,0,1|2,0,0]=4 5303 B11R1.167 O=C(O)c1cc(Br)cnc1Br Amb2725005 [0,1,0,0,0,1|2,0,0]=4 5304 B11R1.167 O=C(O)c1cc(Br)cnc1Cl Amb3427759 [0,1,0,0,0,1|2,0,0]=4 5305 B11R1.167 O=C(O)c1cc(Br)cnc1F Amb6297692 [0,1,0,0,0,1|2,0,0]=4 5306 B11R1.167 O=C(O)c1cc(Br)cnc1O Amb535747 [0,1,0,0,0,1|2,0,0]=4 5307 B11R1.167 O=C(O)c1cc(Br)cnc1S Amb33538642 [0,1,0,0,0,1|2,0,0]=4 5308 B11R1.167 O=C(O)c1cc(Br)ncc1Br Amb7990140 [0,1,0,0,0,1|2,0,0]=4 5309 B11R1.167 O=C(O)c1cc(Br)ncc1Cl Amb21857928 [0,1,0,0,0,1|2,0,0]=4 5310 B11R1.167 O=C(O)c1cc(Br)ncc1F Amb13890395 [0,1,0,0,0,1|2,0,0]=4 5311 B11R1.167 O=C(O)c1cc(Br)ncc1O Amb22499548 [0,1,0,0,0,1|2,0,0]=4 5312 B11R1.167 O=C(O)c1cc(Cl)cc[n+]1[O-] Amb27400265 [0,1,0,0,0,1|2,0,0]=4 5313 B11R1.167 O=C(O)c1cc(Cl)ccc1Br Amb845609 [0,1,0,0,0,1|2,0,0]=4 5314 B11R1.167 O=C(O)c1cc(Cl)ccc1Cl Amb2099522 [0,1,0,0,0,1|2,0,0]=4 5315 B11R1.167 O=C(O)c1cc(Cl)ccc1F Amb1229906 [0,1,0,0,0,1|2,0,0]=4 5316 B11R1.167 O=C(O)c1cc(Cl)ccc1I Amb1133362 [0,1,0,0,0,1|2,0,0]=4 5317 B11R1.167 O=C(O)c1cc(Cl)ccc1O Amb3941495 [0,1,0,0,0,1|2,0,0]=4 5318 B11R1.167 O=C(O)c1cc(Cl)ccc1S Amb18279260 [0,1,0,0,0,1|2,0,0]=4 5319 B11R1.167 O=C(O)c1cc(Cl)cnc1Br Amb10603561 [0,1,0,0,0,1|2,0,0]=4 5320 B11R1.167 O=C(O)c1cc(Cl)cnc1Cl Amb3427844 [0,1,0,0,0,1|2,0,0]=4 5321 B11R1.167 O=C(O)c1cc(Cl)cnc1F Amb8393043 [0,1,0,0,0,1|2,0,0]=4 5322 B11R1.167 O=C(O)c1cc(Cl)ncc1Br Amb33548844 [0,1,0,0,0,1|2,0,0]=4 5323 B11R1.167 O=C(O)c1cc(Cl)ncc1Cl Amb3427783 [0,1,0,0,0,1|2,0,0]=4 5324 B11R1.167 O=C(O)c1cc(Cl)ncc1F Amb16231959 [0,1,0,0,0,1|2,0,0]=4 5325 B11R1.167 O=C(O)c1cc(Cl)ncc1O Amb19516096 [0,1,0,0,0,1|2,0,0]=4 5326 B11R1.167 O=C(O)c1cc(Cl)nnc1Cl Amb1201156 [0,1,0,0,0,1|2,0,0]=4 5327 B11R1.167 O=C(O)c1cc(Cl)nnc1O Amb18127338 [0,1,0,0,0,1|2,0,0]=4 5328 B11R1.167 O=C(O)c1cc(F)ccc1Br Amb1228485 [0,1,0,0,0,1|2,0,0]=4 5329 B11R1.167 O=C(O)c1cc(F)ccc1Cl Amb2685949 [0,1,0,0,0,1|2,0,0]=4 5330 B11R1.167 O=C(O)c1cc(F)ccc1F Amb1214894 [0,1,0,0,0,1|2,0,0]=4 5331 B11R1.167 O=C(O)c1cc(F)ccc1I Amb5721972 [0,1,0,0,0,1|2,0,0]=4 5332 B11R1.167 O=C(O)c1cc(F)ccc1O Amb2688416 [0,1,0,0,0,1|2,0,0]=4 5333 B11R1.167 O=C(O)c1cc(F)ccc1S Amb10838443 [0,1,0,0,0,1|2,0,0]=4 5334 B11R1.167 O=C(O)c1cc(F)cnc1Br Amb20241794 [0,1,0,0,0,1|2,0,0]=4 5335 B11R1.167 O=C(O)c1cc(F)cnc1Cl Amb2447673 [0,1,0,0,0,1|2,0,0]=4 5336 B11R1.167 O=C(O)c1cc(F)cnc1F Amb8390118 [0,1,0,0,0,1|2,0,0]=4 5337 B11R1.167 O=C(O)c1cc(F)cnc1I Amb26530486 [0,1,0,0,0,1|2,0,0]=4 5338 B11R1.167 O=C(O)c1cc(F)cnc1O Amb8393044 [0,1,0,0,0,1|2,0,0]=4 5339 B11R1.167 O=C(O)c1cc(F)ncc1Br Amb22738569 [0,1,0,0,0,1|2,0,0]=4 5340 B11R1.167 O=C(O)c1cc(F)ncc1Cl Amb20242008 [0,1,0,0,0,1|2,0,0]=4 5341 B11R1.167 O=C(O)c1cc(F)ncc1F Amb8390121 [0,1,0,0,0,1|2,0,0]=4 5342 B11R1.167 O=C(O)c1cc(F)ncc1O Amb24620476 [0,1,0,0,0,1|2,0,0]=4 5343 B11R1.167 O=C(O)c1cc(I)ccc1Br Amb1785330 [0,1,0,0,0,1|2,0,0]=4 5344 B11R1.167 O=C(O)c1cc(I)ccc1Cl Amb2686131 [0,1,0,0,0,1|2,0,0]=4 5345 B11R1.167 O=C(O)c1cc(I)ccc1F Amb2688124 [0,1,0,0,0,1|2,0,0]=4 5346 B11R1.167 O=C(O)c1cc(I)ccc1I Amb6848402 [0,1,0,0,0,1|2,0,0]=4 5347 B11R1.167 O=C(O)c1cc(I)ccc1O Amb3940317 [0,1,0,0,0,1|2,0,0]=4 5348 B11R1.167 O=C(O)c1cc(I)ccc1S Amb27166774 [0,1,0,0,0,1|2,0,0]=4 5349 B11R1.167 O=C(O)c1cc(I)cnc1Br Amb22263224 [0,1,0,0,0,1|2,0,0]=4 5350 B11R1.167 O=C(O)c1cc(I)cnc1Cl Amb3205429 [0,1,0,0,0,1|2,0,0]=4 5351 B11R1.167 O=C(O)c1cc(I)cnc1F Amb24652730 [0,1,0,0,0,1|2,0,0]=4 5352 B11R1.167 O=C(O)c1cc(I)cnc1O Amb9677759 [0,1,0,0,0,1|2,0,0]=4 5353 B11R1.167 O=C(O)c1cc(I)ncc1F Amb26894837 [0,1,0,0,0,1|2,0,0]=4 5354 B11R1.167 O=C(O)c1cc(O)ccc1Br Amb6297119 [0,1,0,0,0,1|2,0,0]=4 5355 B11R1.167 O=C(O)c1cc(O)ccc1Cl Amb6297059 [0,1,0,0,0,1|2,0,0]=4 5356 B11R1.167 O=C(O)c1cc(O)ccc1F Amb2684159 [0,1,0,0,0,1|2,0,0]=4 5357 B11R1.167 O=C(O)c1cc(O)ccc1I Amb17938038 [0,1,0,0,0,1|2,0,0]=4 5358 B11R1.167 O=C(O)c1cc(O)ccc1O Amb33779430 [0,1,0,0,0,1|2,0,0]=4 5359 B11R1.167 O=C(O)c1cc(O)ccc1O Amb6491145 [0,1,0,0,0,1|2,0,0]=4 5360 B11R1.167 O=C(O)c1cc(O)ccc1S Amb27390277 [0,1,0,0,0,1|2,0,0]=4 5361 B11R1.167 O=C(O)c1cc(O)cnc1Cl Amb18127133 [0,1,0,0,0,1|2,0,0]=4 5362 B11R1.167 O=C(O)c1cc(O)cnc1O Amb8009492 [0,1,0,0,0,1|2,0,0]=4 5363 B11R1.167 O=C(O)c1cc(O)ncc1Br Amb10070313 [0,1,0,0,0,1|2,0,0]=4 5364 B11R1.167 O=C(O)c1cc(O)ncc1Cl Amb25144003 [0,1,0,0,0,1|2,0,0]=4 5365 B11R1.167 O=C(O)c1cc(S)ccc1Br Amb27248662 [0,1,0,0,0,1|2,0,0]=4 5366 B11R1.167 O=C(O)c1cc(S)ccc1Cl Amb20623491 [0,1,0,0,0,1|2,0,0]=4 5367 B11R1.167 O=C(O)c1cc(S)ccc1F Amb25152849 [0,1,0,0,0,1|2,0,0]=4 5368 B11R1.167 O=C(O)c1cc(S)ccc1I Amb26931773 [0,1,0,0,0,1|2,0,0]=4 5369 B11R1.167 O=C(O)c1cc(S)ccc1O Amb26481378 [0,1,0,0,0,1|2,0,0]=4 5370 B11R1.167 O=C(O)c1cc(S)ccc1S Amb25288094 [0,1,0,0,0,1|2,0,0]=4 5371 B11R1.167 O=C(O)c1cc(S)ncc1Cl Amb27980976 [0,1,0,0,0,1|2,0,0]=4 5372 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 Amb18769458 [0,1,0,0,0,1|2,0,0]=4 5373 B11R1.167 O=C1C=C(C(=O)O)C(O)=CN1 Amb20242309 [0,1,0,0,0,1|2,0,0]=4 5374 B11R1.167 O=C1C=CN(O)C(C(=O)O)=C1 Amb27861943 [0,1,0,0,0,1|2,0,0]=4 5375 B11R1.266 C#Cc1cc(C(=O)O)ccn1 Amb22499967 [0,1,0,0,0,1|1,0,1]=4 5376 B11R1.266 C#Cc1cc(C(=O)O)ncn1 Amb35751025 [0,1,0,0,0,1|1,0,1]=4 5377 B11R1.266 C#Cc1cccc(C(=O)O)c1 Amb10603689 [0,1,0,0,0,1|1,0,1]=4 5378 B11R1.266 C#Cc1ccnc(C(=O)O)c1 Amb27766487 [0,1,0,0,0,1|1,0,1]=4 5379 B11R1.266 C#Cc1cncc(C(=O)O)c1 Amb23598945 [0,1,0,0,0,1|1,0,1]=4 5380 B11R1.266 C=Cc1cc(C(=O)O)ccn1 Amb25368401 [0,1,0,0,0,1|1,0,1]=4 5381 B11R1.266 C=Cc1cccc(C(=O)O)c1 Amb9825008 [0,1,0,0,0,1|1,0,1]=4 5382 B11R1.266 C=Cc1ccnc(C(=O)O)c1 Amb27975433 [0,1,0,0,0,1|1,0,1]=4 5383 B11R1.266 CC(=O)c1cc(CCl)ccn1 Amb28145872 [0,1,0,0,0,1|2,0,0]=4 5384 B11R1.266 CC(=O)c1cc(CO)ccn1 Amb25152862 [0,1,0,0,0,1|2,0,0]=4 5385 B11R1.266 CC(=O)c1cccc(CBr)c1 Amb22886702 [0,1,0,0,0,1|2,0,0]=4 5386 B11R1.266 CC(=O)c1cccc(CCl)c1 Amb17621753 [0,1,0,0,0,1|2,0,0]=4 5387 B11R1.266 CC(=O)c1cccc(CF)c1 Amb28194579 [0,1,0,0,0,1|2,0,0]=4 5388 B11R1.266 CC(=O)c1cccc(CN)c1 Amb6297696 [0,1,0,0,0,1|2,0,0]=4 5389 B11R1.266 CC(=O)c1cccc(CO)c1 Amb10608833 [0,1,0,0,0,1|2,0,0]=4 5390 B11R1.266 CC(=O)c1ccnc(CCl)c1 Amb28198339 [0,1,0,0,0,1|2,0,0]=4 5391 B11R1.266 CC(=O)c1ccnc(CN)c1 Amb24488212 [0,1,0,0,0,1|2,0,0]=4 5392 B11R1.266 CC(=O)c1ccnc(CO)c1 Amb24717075 [0,1,0,0,0,1|2,0,0]=4 5393 B11R1.266 CC(=O)c1cncc(CCl)c1 Amb27476133 [0,1,0,0,0,1|2,0,0]=4 5394 B11R1.266 CC[n+]1cccc(C(=O)O)c1 Amb27848054 [0,1,0,0,0,1|2,0,0]=4 5395 B11R1.266 CCc1cc(C(=O)Cl)ccn1 Amb24379461 [0,1,0,0,0,1|2,0,0]=4 5396 B11R1.266 CCc1cc(C(=O)O)ccn1 Amb8630987 [0,1,0,0,0,1|1,0,0]=3 5397 B11R1.266 CCc1cc(C(=O)O)ncn1 Amb24410715 [0,1,0,0,0,1|1,0,0]=3 5398 B11R1.266 CCc1cc(C(C)=O)ncn1 Amb27636601 [0,1,0,0,0,1|2,0,0]=4 5399 B11R1.266 CCc1cc(C(N)=O)ccn1 Amb10606527 [0,1,0,0,0,1|2,0,0]=4 5400 B11R1.266 CCc1cccc(C(=O)Cl)c1 Amb22269011 [0,1,0,0,0,1|2,0,0]=4 5401 B11R1.266 CCc1cccc(C(=O)O)c1 Amb8439094 [0,1,0,0,0,1|1,0,0]=3 5402 B11R1.266 CCc1cccc(C(=O)O)n1 Amb21857614 [0,1,0,0,0,1|2,0,0]=4 5403 B11R1.266 CCc1cccc(C(=O)O)n1 Amb8630986 [0,1,0,0,0,1|2,0,0]=4 5404 B11R1.266 CCc1cccc(C(C)=O)c1 Amb2726208 [0,1,0,0,0,1|2,0,0]=4 5405 B11R1.266 CCc1ccnc(C(=O)Cl)c1 Amb27212794 [0,1,0,0,0,1|2,0,0]=4 5406 B11R1.266 CCc1ccnc(C(=O)O)c1 Amb17614160 [0,1,0,0,0,1|1,0,0]=3 5407 B11R1.266 CCc1ccnc(C(=O)O)c1 Amb8009565 [0,1,0,0,0,1|1,0,0]=3 5408 B11R1.266 CCc1ccnc(C(C)=O)c1 Amb27955005 [0,1,0,0,0,1|2,0,0]=4 5409 B11R1.266 CCc1ccnc(C(N)=O)c1 Amb28397906 [0,1,0,0,0,1|2,0,0]=4 5410 B11R1.266 CCc1cncc(C(=O)O)c1 Amb33544097 [0,1,0,0,0,1|1,0,0]=3 5411 B11R1.266 CCc1nccc(C(=O)O)n1 Amb18964009 [0,1,0,0,0,1|2,0,0]=4 5412 B11R1.266 CNc1cc(C(=O)O)ccn1 Amb13949124 [0,1,0,0,0,1|1,0,0]=3 5413 B11R1.266 CNc1cc(C(=O)O)ccn1 Amb33533113 [0,1,0,0,0,1|1,0,0]=3 5414 B11R1.266 CNc1cc(C(=O)O)ncn1 Amb18065388 [0,1,0,0,0,1|1,0,0]=3 5415 B11R1.266 CNc1cccc(C(=O)O)c1 Amb17306309 [0,1,0,0,0,1|1,0,0]=3 5416 B11R1.266 CNc1cccc(C(=O)O)c1 Amb22899076 [0,1,0,0,0,1|1,0,0]=3 5417 B11R1.266 CNc1cccc(C(=O)O)n1 Amb18959747 [0,1,0,0,0,1|2,0,0]=4 5418 B11R1.266 CNc1cccc(C(C)=O)c1 Amb17306672 [0,1,0,0,0,1|2,0,0]=4 5419 B11R1.266 CNc1ccnc(C(=O)O)c1 Amb3319005 [0,1,0,0,0,1|1,0,0]=3 5420 B11R1.266 CNc1ccnc(C(N)=O)c1 Amb9378642 [0,1,0,0,0,1|2,0,0]=4 5421 B11R1.266 CNc1cncc(C(=O)O)c1 Amb3319002 [0,1,0,0,0,1|1,0,0]=3 5422 B11R1.266 CNc1cncc(C(=O)O)n1 Amb2610824 [0,1,0,0,0,1|2,0,0]=4 5423 B11R1.266 CNc1nccc(C(=O)O)n1 Amb24099648 [0,1,0,0,0,1|2,0,0]=4 5424 B11R1.266 COc1cc(C(=O)Cl)ccn1 Amb24378926 [0,1,0,0,0,1|2,0,0]=4 5425 B11R1.266 COc1cc(C(=O)O)ccn1 Amb1102567 [0,1,0,0,0,1|1,0,0]=3 5426 B11R1.266 COc1cc(C(=O)O)cnn1 Amb23401892 [0,1,0,0,0,1|1,0,0]=3 5427 B11R1.266 COc1cc(C(=O)O)ncn1 Amb33542851 [0,1,0,0,0,1|1,0,0]=3 5428 B11R1.266 COc1cc(C(=O)[O-])ccn1 Amb33512968 [0,1,0,0,0,1|1,0,1]=4 5429 B11R1.266 COc1cc(C(C)=O)ccn1 Amb22494173 [0,1,0,0,0,1|2,0,0]=4 5430 B11R1.266 COc1cc(C(N)=O)ccn1 Amb2726062 [0,1,0,0,0,1|2,0,0]=4 5431 B11R1.266 COc1cc(S(=O)O)ccn1 Amb32992442 [0,1,0,0,0,1|2,0,0]=4 5432 B11R1.266 COc1cccc(C(=O)Cl)c1 Amb2689093 [0,1,0,0,0,1|2,0,0]=4 5433 B11R1.266 COc1cccc(C(=O)F)c1 Amb26980375 [0,1,0,0,0,1|2,0,0]=4 5434 B11R1.266 COc1cccc(C(=O)O)c1 Amb1227738 [0,1,0,0,0,1|1,0,0]=3 5435 B11R1.266 COc1cccc(C(=O)O)n1 Amb6565076 [0,1,0,0,0,1|2,0,0]=4 5436 B11R1.266 COc1cccc(C(C)=O)c1 Amb2689085 [0,1,0,0,0,1|2,0,0]=4 5437 B11R1.266 COc1cccc(C(N)=O)c1 Amb3886598 [0,1,0,0,0,1|2,0,0]=4 5438 B11R1.266 COc1cccc(S(=O)O)c1 Amb18862872 [0,1,0,0,0,1|2,0,0]=4 5439 B11R1.266 COc1ccnc(C(=O)Cl)c1 Amb26480031 [0,1,0,0,0,1|2,0,0]=4 5440 B11R1.266 COc1ccnc(C(=O)O)c1 Amb2795315 [0,1,0,0,0,1|1,0,0]=3 5441 B11R1.266 COc1ccnc(C(=O)O)c1 Amb6565045 [0,1,0,0,0,1|1,0,0]=3 5442 B11R1.266 COc1ccnc(C(=O)[O-])c1 Amb33512966 [0,1,0,0,0,1|1,0,1]=4 5443 B11R1.266 COc1ccnc(C(C)=O)c1 Amb17621642 [0,1,0,0,0,1|2,0,0]=4 5444 B11R1.266 COc1ccnc(C(N)=O)c1 Amb5492739 [0,1,0,0,0,1|2,0,0]=4 5445 B11R1.266 COc1ccnc(S(=O)O)c1 Amb33747284 [0,1,0,0,0,1|2,0,0]=4 5446 B11R1.266 COc1cncc(C(=O)O)c1 Amb2795316 [0,1,0,0,0,1|1,0,0]=3 5447 B11R1.266 COc1cncc(C(=O)O)n1 Amb8009484 [0,1,0,0,0,1|2,0,0]=4 5448 B11R1.266 COc1cncc(C(C)=O)c1 Amb33735055 [0,1,0,0,0,1|2,0,0]=4 5449 B11R1.266 COc1cncc(C(C)=O)c1 Amb8426292 [0,1,0,0,0,1|2,0,0]=4 5450 B11R1.266 COc1cnnc(C(=O)O)c1 Amb27622845 [0,1,0,0,0,1|2,0,0]=4 5451 B11R1.266 COc1nccc(C(=O)O)n1 Amb18125652 [0,1,0,0,0,1|2,0,0]=4 5452 B11R1.266 CSc1cc(C(=O)O)ccn1 Amb10610037 [0,1,0,0,0,1|1,0,0]=3 5453 B11R1.266 CSc1cc(C(=O)O)cnn1 Amb27620134 [0,1,0,0,0,1|1,0,0]=3 5454 B11R1.266 CSc1cc(C(C)=O)ccn1 Amb28201251 [0,1,0,0,0,1|2,0,0]=4 5455 B11R1.266 CSc1cccc(C(=O)O)c1 Amb8387513 [0,1,0,0,0,1|1,0,0]=3 5456 B11R1.266 CSc1cccc(C(=O)O)n1 Amb18284988 [0,1,0,0,0,1|2,0,0]=4 5457 B11R1.266 CSc1cccc(C(C)=O)c1 Amb25228464 [0,1,0,0,0,1|2,0,0]=4 5458 B11R1.266 CSc1cccc(C(N)=O)c1 Amb24415513 [0,1,0,0,0,1|2,0,0]=4 5459 B11R1.266 CSc1ccnc(C(=O)O)c1 Amb18281638 [0,1,0,0,0,1|1,0,0]=3 5460 B11R1.266 CSc1ccnc(C(=O)O)n1 Amb26501726 [0,1,0,0,0,1|2,0,0]=4 5461 B11R1.266 CSc1ccnc(C(C)=O)c1 Amb25976176 [0,1,0,0,0,1|2,0,0]=4 5462 B11R1.266 CSc1ccnc(C(N)=O)c1 Amb28365668 [0,1,0,0,0,1|2,0,0]=4 5463 B11R1.266 CSc1cncc(C(=O)O)c1 Amb2795671 [0,1,0,0,0,1|1,0,0]=3 5464 B11R1.266 CSc1cncc(C(=O)O)n1 Amb25107712 [0,1,0,0,0,1|2,0,0]=4 5465 B11R1.266 CSc1nccc(C(=O)O)n1 Amb8630074 [0,1,0,0,0,1|2,0,0]=4 5466 B11R1.266 N#Cc1cc(C(=O)O)ccn1 Amb8386265 [0,1,0,0,0,1|1,0,1]=4 5467 B11R1.266 N#Cc1cc(C(=O)O)ncn1 Amb28198777 [0,1,0,0,0,1|1,0,1]=4 5468 B11R1.266 N#Cc1cccc(C(=O)O)c1 Amb1208364 [0,1,0,0,0,1|1,0,1]=4 5469 B11R1.266 N#Cc1ccnc(C(=O)O)c1 Amb6384306 [0,1,0,0,0,1|1,0,1]=4 5470 B11R1.266 N#Cc1cncc(C(=O)O)c1 Amb8386273 [0,1,0,0,0,1|1,0,1]=4 5471 B11R1.266 NC(=O)c1cc(CBr)ccn1 Amb27839725 [0,1,0,0,0,1|2,0,0]=4 5472 B11R1.266 NC(=O)c1cc(CCl)ccn1 Amb27813209 [0,1,0,0,0,1|2,0,0]=4 5473 B11R1.266 NC(=O)c1cccc(CBr)c1 Amb21857552 [0,1,0,0,0,1|2,0,0]=4 5474 B11R1.266 NC(=O)c1cccc(CCl)c1 Amb2609964 [0,1,0,0,0,1|2,0,0]=4 5475 B11R1.266 NC(=O)c1cccc(CO)c1 Amb9421378 [0,1,0,0,0,1|2,0,0]=4 5476 B11R1.266 NC(=O)c1cccc(CS)c1 Amb32788427 [0,1,0,0,0,1|2,0,0]=4 5477 B11R1.266 NC(=O)c1cncc(CO)c1 Amb28325033 [0,1,0,0,0,1|2,0,0]=4 5478 B11R1.266 NCc1cc(C(=O)O)ccn1 Amb18201422 [0,1,0,0,0,1|1,0,0]=3 5479 B11R1.266 NCc1cc(C(=O)O)ccn1 Amb22035332 [0,1,0,0,0,1|1,0,0]=3 5480 B11R1.266 NCc1cc(C(=O)O)ccn1 Amb31147375 [0,1,0,0,0,1|1,0,0]=3 5481 B11R1.266 NCc1cc(C(N)=O)ccn1 Amb24099550 [0,1,0,0,0,1|2,0,0]=4 5482 B11R1.266 NCc1cccc(C(=O)O)c1 Amb535343 [0,1,0,0,0,1|1,0,0]=3 5483 B11R1.266 NCc1cccc(C(=O)O)c1 Amb8630062 [0,1,0,0,0,1|1,0,0]=3 5484 B11R1.266 NCc1cccc(C(=O)O)n1 Amb16231963 [0,1,0,0,0,1|2,0,0]=4 5485 B11R1.266 NCc1cccc(C(=O)O)n1 Amb22727985 [0,1,0,0,0,1|2,0,0]=4 5486 B11R1.266 NCc1cccc(C(N)=O)c1 Amb10601529 [0,1,0,0,0,1|2,0,0]=4 5487 B11R1.266 NCc1cccc(C(N)=O)c1 Amb1114445 [0,1,0,0,0,1|2,0,0]=4 5488 B11R1.266 NCc1ccnc(C(=O)O)c1 Amb25870440 [0,1,0,0,0,1|1,0,0]=3 5489 B11R1.266 NCc1ccnc(C(=O)O)c1 Amb32721634 [0,1,0,0,0,1|1,0,0]=3 5490 B11R1.266 NCc1ccnc(C(N)=O)c1 Amb25152829 [0,1,0,0,0,1|2,0,0]=4 5491 B11R1.266 NCc1ccnc(C(N)=O)c1 Amb32729491 [0,1,0,0,0,1|2,0,0]=4 5492 B11R1.266 NCc1cncc(C(=O)O)c1 Amb26037233 [0,1,0,0,0,1|1,0,0]=3 5493 B11R1.266 NCc1cncc(C(N)=O)c1 Amb21962882 [0,1,0,0,0,1|2,0,0]=4 5494 B11R1.266 NCc1nccc(C(=O)O)n1 Amb27665251 [0,1,0,0,0,1|2,0,0]=4 5495 B11R1.266 NNc1cc(C(=O)O)ccn1 Amb10071583 [0,1,0,0,0,1|2,0,0]=4 5496 B11R1.266 NNc1cccc(C(=O)O)c1 Amb10664885 [0,1,0,0,0,1|2,0,0]=4 5497 B11R1.266 NNc1cccc(C(=O)O)c1 Amb2234498 [0,1,0,0,0,1|2,0,0]=4 5498 B11R1.266 NNc1ccnc(C(=O)O)c1 Amb23592137 [0,1,0,0,0,1|2,0,0]=4 5499 B11R1.266 NOc1cccc(C(=O)O)c1 Amb8388259 [0,1,0,0,0,1|2,0,0]=4 5500 B11R1.266 O=C(Cl)c1cccc(CBr)c1 Amb24113090 [0,1,0,0,0,1|2,0,0]=4 5501 B11R1.266 O=C(Cl)c1cccc(CCl)c1 Amb8396075 [0,1,0,0,0,1|2,0,0]=4 5502 B11R1.266 O=C(O)c1cc(CBr)ncn1 Amb28119218 [0,1,0,0,0,1|1,0,0]=3 5503 B11R1.266 O=C(O)c1cc(CO)ccn1 Amb3319274 [0,1,0,0,0,1|1,0,0]=3 5504 B11R1.266 O=C(O)c1cccc(CBr)c1 Amb1213401 [0,1,0,0,0,1|1,0,0]=3 5505 B11R1.266 O=C(O)c1cccc(CBr)n1 Amb2694907 [0,1,0,0,0,1|2,0,0]=4 5506 B11R1.266 O=C(O)c1cccc(CCl)c1 Amb2609963 [0,1,0,0,0,1|1,0,0]=3 5507 B11R1.266 O=C(O)c1cccc(CCl)n1 Amb27617286 [0,1,0,0,0,1|2,0,0]=4 5508 B11R1.266 O=C(O)c1cccc(CF)c1 Amb27791782 [0,1,0,0,0,1|1,0,0]=3 5509 B11R1.266 O=C(O)c1cccc(CF)n1 Amb27210941 [0,1,0,0,0,1|2,0,0]=4 5510 B11R1.266 O=C(O)c1cccc(CO)c1 Amb6296522 [0,1,0,0,0,1|1,0,0]=3 5511 B11R1.266 O=C(O)c1cccc(CO)n1 Amb32409793 [0,1,0,0,0,1|2,0,0]=4 5512 B11R1.266 O=C(O)c1cccc(CO)n1 Amb8010246 [0,1,0,0,0,1|2,0,0]=4 5513 B11R1.266 O=C(O)c1cccc(CS)c1 Amb6892057 [0,1,0,0,0,1|1,0,0]=3 5514 B11R1.266 O=C(O)c1ccnc(CBr)c1 Amb22011863 [0,1,0,0,0,1|1,0,0]=3 5515 B11R1.266 O=C(O)c1ccnc(CCl)c1 Amb26952189 [0,1,0,0,0,1|1,0,0]=3 5516 B11R1.266 O=C(O)c1ccnc(CF)c1 Amb27428939 [0,1,0,0,0,1|1,0,0]=3 5517 B11R1.266 O=C(O)c1ccnc(CO)c1 Amb21857371 [0,1,0,0,0,1|1,0,0]=3 5518 B11R1.266 O=C(O)c1ccnc(CO)c1 Amb30584723 [0,1,0,0,0,1|1,0,0]=3 5519 B11R1.266 O=C(O)c1ccnc(CO)n1 Amb27664101 [0,1,0,0,0,1|2,0,0]=4 5520 B11R1.266 O=C(O)c1ccnc(NO)c1 Amb28042628 [0,1,0,0,0,1|2,0,0]=4 5521 B11R1.266 O=C(O)c1cncc(CO)c1 Amb28291288 [0,1,0,0,0,1|1,0,0]=3 5522 B11R1.266 O=Cc1cc(C(=O)O)ccn1 Amb21857065 [0,1,0,0,0,1|1,0,1]=4 5523 B11R1.266 O=Cc1cc(C(=O)O)cnn1 Amb28245954 [0,1,0,0,0,1|1,0,1]=4 5524 B11R1.266 O=Cc1cccc(C(=O)O)c1 Amb2721214 [0,1,0,0,0,1|1,0,1]=4 5525 B11R1.266 O=Cc1ccnc(C(=O)O)c1 Amb22500483 [0,1,0,0,0,1|1,0,1]=4 5526 B11R1.266 O=Cc1cncc(C(=O)O)c1 Amb2795633 [0,1,0,0,0,1|1,0,1]=4 5527 B11R1.266 O=Cc1cncc(C(=O)O)c1 Amb32753667 [0,1,0,0,0,1|1,0,1]=4 5528 B11R1.6 CNS(=O)(=O)c1csc(C)c1 Amb27163941 [0,2,0,0,0,0|1,0,1]=4 5529 B11R1.6 Cc1cc(C(C)(N)CO)cs1 Amb27164213 [0,2,0,0,0,0|1,0,1]=4 5530 B11R1.6 Cc1cc(C(C)(O)C=O)cs1 Amb27666398 [0,2,0,0,0,0|0,0,1]=3 5531 B11R1.11 COC(C=O)c1csc(Br)c1 Amb27409257 [0,2,0,0,0,0|1,0,1]=4 5532 B11R1.11 COC(CN)c1csc(C)c1 Amb27471516 [0,2,0,0,0,0|1,0,1]=4 5533 B11R1.15 C=C(OCC)c1csc(Br)c1 Amb33135780 [0,2,0,0,0,0|2,0,0]=4 5534 B11R1.15 C=CCC(O)c1csc(C)c1 Amb27757564 [0,2,0,0,0,0|1,0,1]=4 5535 B11R1.15 C=COC(=O)c1ccc(C)o1 Amb27851994 [0,2,0,0,0,0|2,0,0]=4 5536 B11R1.15 CCCC(=O)c1csc(Br)c1 Amb27169037 [0,2,0,0,0,0|2,0,0]=4 5537 B11R1.15 CCCC(=O)c1csc(C)n1 Amb27960846 [0,2,0,0,0,0|2,0,0]=4 5538 B11R1.15 CCCC(=O)c1csc(Cl)c1 Amb28128473 [0,2,0,0,0,0|2,0,0]=4 5539 B11R1.15 CCCC(O)c1csc(C)c1 Amb28041586 [0,2,0,0,0,0|1,0,1]=4 5540 B11R1.15 CCNC(=O)c1cc(C)sn1 Amb27827282 [0,2,0,0,0,0|2,0,0]=4 5541 B11R1.15 CCNC(=O)c1csc(I)c1 Amb20643992 [0,2,0,0,0,0|2,0,0]=4 5542 B11R1.15 CCOC(=O)C1=CSC(=N)N1 Amb19914391 [0,2,0,0,0,0|2,0,0]=4 5543 B11R1.15 CCOC(=O)c1cc(C)cs1 Amb22498281 [0,2,0,0,0,0|2,0,0]=4 5544 B11R1.15 CCOC(=O)c1cc(C)no1 Amb8492478 [0,2,0,0,0,0|2,0,0]=4 5545 B11R1.15 CCOC(=O)c1cc(C)on1 Amb1953489 [0,2,0,0,0,0|1,1,0]=4 5546 B11R1.15 CCOC(=O)c1cc(C)sn1 Amb27665164 [0,2,0,0,0,0|1,0,0]=3 5547 B11R1.15 CCOC(=O)c1ccc(C)o1 Amb9243007 [0,2,0,0,0,0|2,0,0]=4 5548 B11R1.15 CCOC(=O)c1ccc(C)s1 Amb9242879 [0,2,0,0,0,0|2,0,0]=4 5549 B11R1.15 CCOC(=O)c1ccn(C)c1 Amb23441089 [0,2,0,0,0,0|2,0,0]=4 5550 B11R1.15 CCOC(=O)c1cnc(C)s1 Amb8630333 [0,2,0,0,0,0|2,0,0]=4 5551 B11R1.15 CCOC(=O)c1cnn(C)c1 Amb33531553 [0,2,0,0,0,0|2,0,0]=4 5552 B11R1.15 CCOC(=O)c1coc(Br)c1 Amb22583751 [0,2,0,0,0,0|1,1,0]=4 5553 B11R1.15 CCOC(=O)c1coc(C)c1 Amb21964297 [0,2,0,0,0,0|0,1,0]=3 5554 B11R1.15 CCOC(=O)c1coc(C)n1 Amb6307348 [0,2,0,0,0,0|1,1,0]=4 5555 B11R1.15 CCOC(=O)c1coc(Cl)c1 Amb24651519 [0,2,0,0,0,0|1,1,0]=4 5556 B11R1.15 CCOC(=O)c1coc(I)c1 Amb25162858 [0,2,0,0,0,0|1,1,0]=4 5557 B11R1.15 CCOC(=O)c1coc(N)c1 Amb27646668 [0,2,0,0,0,0|1,1,0]=4 5558 B11R1.15 CCOC(=O)c1csc(Br)c1 Amb21520180 [0,2,0,0,0,0|1,0,0]=3 5559 B11R1.15 CCOC(=O)c1csc(Br)n1 Amb2455713 [0,2,0,0,0,0|2,0,0]=4 5560 B11R1.15 CCOC(=O)c1csc(C)c1 Amb22494673 [0,2,0,0,0,0|0,0,0]=2 5561 B11R1.15 CCOC(=O)c1csc(C)n1 Amb6357480 [0,2,0,0,0,0|1,0,0]=3 5562 B11R1.15 CCOC(=O)c1csc(Cl)c1 Amb26360860 [0,2,0,0,0,0|1,0,0]=3 5563 B11R1.15 CCOC(=O)c1csc(Cl)n1 Amb10067792 [0,2,0,0,0,0|2,0,0]=4 5564 B11R1.15 CCOC(=O)c1csc(F)c1 Amb27965598 [0,2,0,0,0,0|1,0,0]=3 5565 B11R1.15 CCOC(=O)c1csc(F)n1 Amb21964349 [0,2,0,0,0,0|2,0,0]=4 5566 B11R1.15 CCOC(=O)c1csc(I)c1 Amb27764686 [0,2,0,0,0,0|1,0,0]=3 5567 B11R1.15 CCOC(=O)c1csc(I)n1 Amb27812375 [0,2,0,0,0,0|2,0,0]=4 5568 B11R1.15 CCOC(=O)c1csc(N)c1 Amb18302898 [0,2,0,0,0,0|1,0,0]=3 5569 B11R1.15 CCOC(=O)c1csc(N)n1 Amb1106793 [0,2,0,0,0,0|2,0,0]=4 5570 B11R1.15 CCOC(=O)c1csc(N)n1 Amb17659102 [0,2,0,0,0,0|2,0,0]=4 5571 B11R1.15 CCOC(=O)c1csc(N)n1 Amb21520416 [0,2,0,0,0,0|2,0,0]=4 5572 B11R1.15 CCOC(=O)c1csc(O)n1 Amb25114134 [0,2,0,0,0,0|2,0,0]=4 5573 B11R1.15 CCOC(=O)c1csc(S)c1 Amb26941115 [0,2,0,0,0,0|1,0,0]=3 5574 B11R1.15 CCOC(=O)c1csc(S)n1 Amb27147782 [0,2,0,0,0,0|2,0,0]=4 5575 B11R1.15 CCOC(=O)n1ccc(C)c1 Amb27590364 [0,2,0,0,0,0|2,0,0]=4 5576 B11R1.15 CNCC(=O)c1coc(C)c1 Amb33307640 [0,2,0,0,0,0|1,1,0]=4 5577 B11R1.15 CNCC(=O)c1csc(Br)c1 Amb33432842 [0,2,0,0,0,0|2,0,0]=4 5578 B11R1.15 CNCC(=O)c1csc(C)c1 Amb25922913 [0,2,0,0,0,0|1,0,0]=3 5579 B11R1.15 CNCC(=O)c1csc(C)n1 Amb24553947 [0,2,0,0,0,0|2,0,0]=4 5580 B11R1.15 COCC(=O)c1cc(C)ns1 Amb28185216 [0,2,0,0,0,0|2,0,0]=4 5581 B11R1.15 COCC(=O)c1ccn(C)c1 Amb9665992 [0,2,0,0,0,0|2,0,0]=4 5582 B11R1.15 COCC(=O)c1cnc(C)s1 Amb28043605 [0,2,0,0,0,0|2,0,0]=4 5583 B11R1.15 COCC(=O)c1cnn(C)c1 Amb18181849 [0,2,0,0,0,0|2,0,0]=4 5584 B11R1.15 COCC(=O)c1coc(C)c1 Amb27628647 [0,2,0,0,0,0|0,1,0]=3 5585 B11R1.15 COCC(=O)c1csc(C)n1 Amb27225609 [0,2,0,0,0,0|1,0,0]=3 5586 B11R1.15 COCC(=O)c1csc(N)n1 Amb25351675 [0,2,0,0,0,0|2,0,0]=4 5587 B11R1.15 CONC(=O)C1=CSC(=O)N1 Amb27833480 [0,2,0,0,0,0|2,0,0]=4 5588 B11R1.15 CONC(=O)c1ccn(C)c1 Amb27451842 [0,2,0,0,0,0|2,0,0]=4 5589 B11R1.15 CONC(=O)c1coc(Br)c1 Amb8278869 [0,2,0,0,0,0|1,1,0]=4 5590 B11R1.15 CONC(=O)c1csc(Br)n1 Amb35735363 [0,2,0,0,0,0|2,0,0]=4 5591 B11R1.15 CONC(=O)c1csc(C)c1 Amb27406468 [0,2,0,0,0,0|0,0,0]=2 5592 B11R1.15 CONC(=O)c1csc(Cl)c1 Amb28064889 [0,2,0,0,0,0|1,0,0]=3 5593 B11R1.15 CONC(=O)c1csc(Cl)n1 Amb27211421 [0,2,0,0,0,0|2,0,0]=4 5594 B11R1.15 CO\N=C(/C)c1csc(C)n1 Amb25226153 [0,2,0,0,0,0|2,0,0]=4 5595 B11R1.15 CSCC(=O)c1csc(C)c1 Amb27780741 [0,2,0,0,0,0|0,1,0]=3 5596 B11R1.15 CSCC(=O)c1csc(I)c1 Amb28198385 [0,2,0,0,0,0|1,1,0]=4 5597 B11R1.15 Cc1cc(C(=O)CC=O)cs1 Amb24646136 [0,2,0,0,0,0|0,0,1]=3 5598 B11R1.15 Cc1cc(C(=O)CCN)co1 Amb33307639 [0,2,0,0,0,0|1,1,0]=4 5599 B11R1.15 Cc1cc(C(=O)CCN)cs1 Amb25930245 [0,2,0,0,0,0|1,0,0]=3 5600 B11R1.15 Cc1cc(C(=O)N=C=O)co1 Amb27263586 [0,2,0,0,0,0|0,1,1]=4 5601 B11R1.15 Cc1cc(C(=O)N=C=S)cs1 Amb28054667 [0,2,0,0,0,0|0,1,0]=3 5602 B11R1.15 Cc1cc(C(=O)N=[N+]=[N-])cs1 Amb24621568 [0,2,0,0,0,0|1,0,0]=3 5603 B11R1.15 Cc1cc(C(=O)N=[N+]=[N-])ns1 Amb28123160 [0,2,0,0,0,0|2,0,0]=4 5604 B11R1.15 Cc1cc(C(=O)\C=C\Cl)co1 Amb35629016 [0,2,0,0,0,0|1,1,0]=4 5605 B11R1.15 Cc1cc(C(=O)\C=C\Cl)cs1 Amb35628795 [0,2,0,0,0,0|1,0,0]=3 5606 B11R1.15 Cc1cc(C(=O)\C=C\[O-])cs1 Amb27212230 [0,2,0,0,0,0|0,0,1]=3 5607 B11R1.15 Cc1cc(C(=O)\C=N\O)on1 Amb27199090 [0,2,0,0,0,0|2,0,0]=4 5608 B11R1.15 Cc1cc(C(N)CCO)cs1 Amb27595563 [0,2,0,0,0,0|1,0,1]=4 5609 B11R1.15 Cc1cc(C(O)CC=O)cs1 Amb27196112 [0,2,0,0,0,0|0,0,1]=3 5610 B11R1.15 Cc1cc(C(O)CCN)cs1 Amb27221819 [0,2,0,0,0,0|1,0,1]=4 5611 B11R1.15 Cc1ccc(C(=O)CCO)o1 Amb25800931 [0,2,0,0,0,0|2,0,0]=4 5612 B11R1.15 Cc1nc(C(=O)CC#N)cs1 Amb18199576 [0,2,0,0,0,0|2,0,0]=4 5613 B11R1.15 Cc1nc(C(=O)CC=O)cs1 Amb27408812 [0,2,0,0,0,0|1,0,1]=4 5614 B11R1.15 Cc1nc(C(=O)CCN)cs1 Amb18198890 [0,2,0,0,0,0|2,0,0]=4 5615 B11R1.15 Cc1nc(C(=O)N=[N+]=[N-])cs1 Amb24721908 [0,2,0,0,0,0|2,0,0]=4 5616 B11R1.15 Cc1nc(C(=O)\C=C\Cl)cs1 Amb35628657 [0,2,0,0,0,0|2,0,0]=4 5617 B11R1.15 Cn1ccc(C(=O)CCO)c1 Amb18065396 [0,2,0,0,0,0|2,0,0]=4 5618 B11R1.15 N#CNC(=O)c1csc(I)c1 Amb27866206 [0,2,0,0,0,0|2,0,0]=4 5619 B11R1.15 NCCC(=O)c1csc(Br)c1 Amb33432835 [0,2,0,0,0,0|2,0,0]=4 5620 B11R1.15 O=C(\C=C\Cl)c1csc(Br)c1 Amb35628665 [0,2,0,0,0,0|2,0,0]=4 5621 B11R1.15 O=C(\C=C\Cl)c1csc(Cl)c1 Amb35628846 [0,2,0,0,0,0|2,0,0]=4 5622 B11R1.15 O=C(\C=C\Cl)c1csc(I)c1 Amb35628809 [0,2,0,0,0,0|2,0,0]=4 5623 B11R1.15 O=C=NC(=O)c1csc(I)c1 Amb27945767 [0,2,0,0,0,0|1,0,1]=4 5624 B11R1.15 O=CCC(=O)c1csc(Cl)c1 Amb26950304 [0,2,0,0,0,0|1,0,1]=4 5625 B11R1.15 O=CCC(O)c1csc(Br)c1 Amb27982278 [0,2,0,0,0,0|1,0,1]=4 5626 B11R1.15 [N-]=[N+]=NC(=O)c1csc(Br)c1 Amb27752563 [0,2,0,0,0,0|2,0,0]=4 5627 B11R1.15 [N-]=[N+]=NC(=O)c1csc(I)c1 Amb27810675 [0,2,0,0,0,0|2,0,0]=4 5628 B11R1.44 C#CC(=O)c1csc(CC)n1 Amb35581901 [0,2,0,0,0,0|2,0,0]=4 5629 B11R1.44 C#CC(=O)c1csc(CN)n1 Amb24488221 [0,2,0,0,0,0|2,0,0]=4 5630 B11R1.44 C#Cc1cc(C(=O)OC)cs1 Amb33142327 [0,2,0,0,0,0|0,0,1]=3 5631 B11R1.44 C=CC(=O)c1csc(CC)n1 Amb35581902 [0,2,0,0,0,0|2,0,0]=4 5632 B11R1.44 C=CC(=O)c1csc(CN)n1 Amb27472809 [0,2,0,0,0,0|2,0,0]=4 5633 B11R1.44 C=Cc1cc(C(=O)OC)cs1 Amb33142320 [0,2,0,0,0,0|0,0,1]=3 5634 B11R1.44 CCC(=O)c1csc(CC)n1 Amb35581903 [0,2,0,0,0,0|2,0,0]=4 5635 B11R1.44 CCC(=O)c1csc(CN)n1 Amb28423108 [0,2,0,0,0,0|2,0,0]=4 5636 B11R1.44 CCc1cc(C(=O)NN)cs1 Amb6546104 [0,2,0,0,0,0|1,0,0]=3 5637 B11R1.44 CCc1cc(C(=O)OC)cs1 Amb6890058 [0,2,0,0,0,0|0,0,0]=2 5638 B11R1.44 CCc1cc(C(=O)OC)no1 Amb35789351 [0,2,0,0,0,0|1,1,0]=4 5639 B11R1.44 CCc1cc(C(=O)OC)on1 Amb27771604 [0,2,0,0,0,0|2,0,0]=4 5640 B11R1.44 CCc1ccc(C(=O)CO)s1 Amb5638963 [0,2,0,0,0,0|2,0,0]=4 5641 B11R1.44 CCc1ccc(C(=O)OC)o1 Amb24460761 [0,2,0,0,0,0|2,0,0]=4 5642 B11R1.44 CCc1csc(C(=O)OC)c1 Amb27668245 [0,2,0,0,0,0|2,0,0]=4 5643 B11R1.44 CCc1nc(C(=O)NO)co1 Amb28282419 [0,2,0,0,0,0|1,1,0]=4 5644 B11R1.44 CCc1nc(C(=O)OC)co1 Amb22756383 [0,2,0,0,0,0|1,1,0]=4 5645 B11R1.44 CCc1nc(C(=O)OC)cs1 Amb27161461 [0,2,0,0,0,0|1,0,0]=3 5646 B11R1.44 CCc1nc(\C(N)=N\O)cs1 Amb28045402 [0,2,0,0,0,0|2,0,0]=4 5647 B11R1.44 CCc1ncc(C(=O)OC)o1 Amb25188623 [0,2,0,0,0,0|2,0,0]=4 5648 B11R1.44 CCc1ncc(C(=O)OC)s1 Amb24469032 [0,2,0,0,0,0|2,0,0]=4 5649 B11R1.44 CCn1cc(C(=O)OC)cn1 Amb25149494 [0,2,0,0,0,0|2,0,0]=4 5650 B11R1.44 CNC(=O)c1csc(NC)n1 Amb22001255 [0,2,0,0,0,0|2,0,0]=4 5651 B11R1.44 CNc1nc(C(=O)CCl)cs1 Amb35719104 [0,2,0,0,0,0|2,0,0]=4 5652 B11R1.44 CNc1nc(C(=O)OC)co1 Amb33730988 [0,2,0,0,0,0|1,1,0]=4 5653 B11R1.44 CNc1nc(C(=O)OC)cs1 Amb25695064 [0,2,0,0,0,0|1,0,0]=3 5654 B11R1.44 CNc1ncc(C(=O)OC)o1 Amb33745018 [0,2,0,0,0,0|2,0,0]=4 5655 B11R1.44 CNc1ncc(C(=O)OC)s1 Amb20668961 [0,2,0,0,0,0|2,0,0]=4 5656 B11R1.44 COC(=O)c1cc(CBr)cs1 Amb21856984 [0,2,0,0,0,0|2,0,0]=4 5657 B11R1.44 COC(=O)c1cc(CBr)on1 Amb19514564 [0,2,0,0,0,0|1,1,0]=4 5658 B11R1.44 COC(=O)c1cc(CCl)cs1 Amb535417 [0,2,0,0,0,0|2,0,0]=4 5659 B11R1.44 COC(=O)c1cc(CN)cs1 Amb2236075 [0,2,0,0,0,0|2,0,0]=4 5660 B11R1.44 COC(=O)c1cc(CN)cs1 Amb2237310 [0,2,0,0,0,0|2,0,0]=4 5661 B11R1.44 COC(=O)c1cc(CN)on1 Amb25703153 [0,2,0,0,0,0|1,1,0]=4 5662 B11R1.44 COC(=O)c1cc(CN)on1 Amb33607437 [0,2,0,0,0,0|1,1,0]=4 5663 B11R1.44 COC(=O)c1cc(CO)on1 Amb19930074 [0,2,0,0,0,0|1,1,0]=4 5664 B11R1.44 COC(=O)c1cc(CS)cs1 Amb35625934 [0,2,0,0,0,0|2,0,0]=4 5665 B11R1.44 COC(=O)c1cc(CS)on1 Amb33068296 [0,2,0,0,0,0|1,1,0]=4 5666 B11R1.44 COC(=O)c1cc(OC)cs1 Amb19375542 [0,2,0,0,0,0|2,0,0]=4 5667 B11R1.44 COC(=O)c1cc(OC)no1 Amb10604455 [0,2,0,0,0,0|2,0,0]=4 5668 B11R1.44 COC(=O)c1cc(OC)ns1 Amb27792493 [0,2,0,0,0,0|2,0,0]=4 5669 B11R1.44 COC(=O)c1cc(OC)on1 Amb27476175 [0,2,0,0,0,0|1,1,0]=4 5670 B11R1.44 COC(=O)c1ccc(CBr)o1 Amb595419 [0,2,0,0,0,0|2,0,0]=4 5671 B11R1.44 COC(=O)c1ccc(CBr)s1 Amb6752533 [0,2,0,0,0,0|2,0,0]=4 5672 B11R1.44 COC(=O)c1ccc(CCl)o1 Amb1004745 [0,2,0,0,0,0|2,0,0]=4 5673 B11R1.44 COC(=O)c1ccc(CCl)s1 Amb2702756 [0,2,0,0,0,0|2,0,0]=4 5674 B11R1.44 COC(=O)c1ccc(CN)o1 Amb2454171 [0,2,0,0,0,0|2,0,0]=4 5675 B11R1.44 COC(=O)c1ccc(CN)o1 Amb535500 [0,2,0,0,0,0|2,0,0]=4 5676 B11R1.44 COC(=O)c1ccc(CN)s1 Amb18252150 [0,2,0,0,0,0|2,0,0]=4 5677 B11R1.44 COC(=O)c1ccc(CN)s1 Amb32663791 [0,2,0,0,0,0|2,0,0]=4 5678 B11R1.44 COC(=O)c1ccc(CO)o1 Amb1110772 [0,2,0,0,0,0|2,0,0]=4 5679 B11R1.44 COC(=O)c1ccc(CO)s1 Amb20234686 [0,2,0,0,0,0|2,0,0]=4 5680 B11R1.44 COC(=O)c1ccc(CS)o1 Amb26905076 [0,2,0,0,0,0|2,0,0]=4 5681 B11R1.44 COC(=O)c1ccc(CS)s1 Amb33323599 [0,2,0,0,0,0|2,0,0]=4 5682 B11R1.44 COC(=O)c1ccc(OC)o1 Amb26595834 [0,2,0,0,0,0|2,0,0]=4 5683 B11R1.44 COC(=O)c1ccc(OC)s1 Amb28047906 [0,2,0,0,0,0|2,0,0]=4 5684 B11R1.44 COC(=O)c1ccc(SC)o1 Amb27490885 [0,2,0,0,0,0|2,0,0]=4 5685 B11R1.44 COC(=O)c1ccc(SC)s1 Amb26046485 [0,2,0,0,0,0|2,0,0]=4 5686 B11R1.44 COC(=O)c1cnc(CCl)o1 Amb28137893 [0,2,0,0,0,0|2,0,0]=4 5687 B11R1.44 COC(=O)c1cnc(CN)o1 Amb27192145 [0,2,0,0,0,0|2,0,0]=4 5688 B11R1.44 COC(=O)c1cnc(CN)s1 Amb25935599 [0,2,0,0,0,0|2,0,0]=4 5689 B11R1.44 COC(=O)c1cnc(CN)s1 Amb30584800 [0,2,0,0,0,0|2,0,0]=4 5690 B11R1.44 COC(=O)c1cnc(OC)s1 Amb27856412 [0,2,0,0,0,0|2,0,0]=4 5691 B11R1.44 COC(=O)c1cnc(SC)s1 Amb28282614 [0,2,0,0,0,0|2,0,0]=4 5692 B11R1.44 COC(=O)c1cnn(CCl)c1 Amb2692736 [0,2,0,0,0,0|2,0,0]=4 5693 B11R1.44 COC(=O)c1cnn(CO)c1 Amb6890625 [0,2,0,0,0,0|2,0,0]=4 5694 B11R1.44 COC(=O)c1coc(C#N)c1 Amb23590348 [0,2,0,0,0,0|0,1,1]=4 5695 B11R1.44 COC(=O)c1coc(C=O)c1 Amb18200883 [0,2,0,0,0,0|0,1,1]=4 5696 B11R1.44 COC(=O)c1coc(CBr)n1 Amb2698608 [0,2,0,0,0,0|1,1,0]=4 5697 B11R1.44 COC(=O)c1coc(CCl)c1 Amb13952083 [0,2,0,0,0,0|0,1,0]=3 5698 B11R1.44 COC(=O)c1coc(CCl)n1 Amb2455689 [0,2,0,0,0,0|1,1,0]=4 5699 B11R1.44 COC(=O)c1coc(CI)n1 Amb2698609 [0,2,0,0,0,0|1,1,0]=4 5700 B11R1.44 COC(=O)c1coc(CN)c1 Amb25333875 [0,2,0,0,0,0|0,1,0]=3 5701 B11R1.44 COC(=O)c1coc(CN)c1 Amb30584787 [0,2,0,0,0,0|0,1,0]=3 5702 B11R1.44 COC(=O)c1coc(CN)n1 Amb21965075 [0,2,0,0,0,0|1,1,0]=4 5703 B11R1.44 COC(=O)c1coc(CN)n1 Amb28652853 [0,2,0,0,0,0|1,1,0]=4 5704 B11R1.44 COC(=O)c1coc(CO)c1 Amb25920763 [0,2,0,0,0,0|0,1,0]=3 5705 B11R1.44 COC(=O)c1coc(CS)c1 Amb32788271 [0,2,0,0,0,0|0,1,0]=3 5706 B11R1.44 COC(=O)c1coc(CS)n1 Amb32650869 [0,2,0,0,0,0|1,1,0]=4 5707 B11R1.44 COC(=O)c1csc(C=O)c1 Amb2611546 [0,2,0,0,0,0|0,0,1]=3 5708 B11R1.44 COC(=O)c1csc(C=O)n1 Amb24057439 [0,2,0,0,0,0|1,0,1]=4 5709 B11R1.44 COC(=O)c1csc(CBr)c1 Amb24399788 [0,2,0,0,0,0|0,0,0]=2 5710 B11R1.44 COC(=O)c1csc(CCl)c1 Amb25765781 [0,2,0,0,0,0|0,0,0]=2 5711 B11R1.44 COC(=O)c1csc(CCl)n1 Amb10119103 [0,2,0,0,0,0|1,0,0]=3 5712 B11R1.44 COC(=O)c1csc(CN)c1 Amb26586132 [0,2,0,0,0,0|0,0,0]=2 5713 B11R1.44 COC(=O)c1csc(CN)n1 Amb18010546 [0,2,0,0,0,0|1,0,0]=3 5714 B11R1.44 COC(=O)c1csc(CN)n1 Amb5754343 [0,2,0,0,0,0|1,0,0]=3 5715 B11R1.44 COC(=O)c1csc(CO)n1 Amb21857671 [0,2,0,0,0,0|1,0,0]=3 5716 B11R1.44 COC(=O)c1csc(CS)c1 Amb33142966 [0,2,0,0,0,0|0,0,0]=2 5717 B11R1.44 COC(=O)c1csc(CS)n1 Amb32650874 [0,2,0,0,0,0|1,0,0]=3 5718 B11R1.44 COC(=O)c1csc(NN)n1 Amb27882663 [0,2,0,0,0,0|2,0,0]=4 5719 B11R1.44 COC(=O)c1csc(OC)c1 Amb27465343 [0,2,0,0,0,0|0,0,0]=2 5720 B11R1.44 COC(=O)c1csc(SC)n1 Amb26318400 [0,2,0,0,0,0|1,0,0]=3 5721 B11R1.44 COC(=O)n1ccc(SC)c1 Amb27260319 [0,2,0,0,0,0|2,0,0]=4 5722 B11R1.44 COc1cc(C(N)CO)cs1 Amb27839654 [0,2,0,0,0,0|1,0,1]=4 5723 B11R1.44 COc1cc([C@H](N)CO)cs1 Amb27253008 [0,2,0,0,0,0|1,0,1]=4 5724 B11R1.44 COc1nc(C(=O)CN)cs1 Amb26864521 [0,2,0,0,0,0|2,0,0]=4 5725 B11R1.44 N#Cc1cc(C(=O)CCl)cs1 Amb27637637 [0,2,0,0,0,0|1,0,1]=4 5726 B11R1.44 NCc1ccc(C(=O)NO)o1 Amb27661786 [0,2,0,0,0,0|2,0,0]=4 5727 B11R1.44 NCc1nc(C(=O)NN)cs1 Amb27800671 [0,2,0,0,0,0|2,0,0]=4 5728 B11R1.44 NNC(=O)c1coc(CO)c1 Amb28063916 [0,2,0,0,0,0|1,1,0]=4 5729 B11R1.44 NNC(=O)c1csc(CS)n1 Amb27944911 [0,2,0,0,0,0|2,0,0]=4 5730 B11R1.44 N[C@@H](CO)c1csc(CO)c1 Amb27623872 [0,2,0,0,0,0|1,0,1]=4 5731 B11R1.44 N[C@H](CO)c1csc(CO)c1 Amb28067728 [0,2,0,0,0,0|1,0,1]=4 5732 B11R1.44 O=C(CCl)c1csc(CO)n1 Amb27661215 [0,2,0,0,0,0|2,0,0]=4 5733 B11R1.44 O=Cc1cc(C(=O)CCl)cs1 Amb18188668 [0,2,0,0,0,0|1,0,1]=4 5734 B11R1.225 C#CC(=O)c1cc(C)oc1C Amb27478900 [0,2,0,0,0,0|1,1,0]=4 5735 B11R1.225 C=C(CBr)c1cc(C)sc1C Amb33006828 [0,2,0,0,0,0|2,0,0]=4 5736 B11R1.225 C=C(CCl)c1cc(C)sc1C Amb33222102 [0,2,0,0,0,0|2,0,0]=4 5737 B11R1.225 C=C(CN)c1cc(C)sc1C Amb33472641 [0,2,0,0,0,0|2,0,0]=4 5738 B11R1.225 C=CC(=O)c1cc(C)oc1C Amb25823930 [0,2,0,0,0,0|1,1,0]=4 5739 B11R1.225 C=CC(=O)c1cc(C)sc1C Amb25032577 [0,2,0,0,0,0|1,0,0]=3 5740 B11R1.225 C=CC(O)c1cc(C)sc1C Amb26595144 [0,2,0,0,0,0|1,0,1]=4 5741 B11R1.225 CCC(=O)c1cc(C)sc1C Amb9204507 [0,2,0,0,0,0|1,0,0]=3 5742 B11R1.225 CCC(O)c1cc(C)sc1C Amb18793793 [0,2,0,0,0,0|1,0,1]=4 5743 B11R1.225 CC[C@H](O)c1cc(C)sc1C Amb28138884 [0,2,0,0,0,0|1,0,1]=4 5744 B11R1.225 CNC(=O)c1cc(C)oc1C Amb8335792 [0,2,0,0,0,0|1,1,0]=4 5745 B11R1.225 CNC(=O)c1cc(C)sc1C Amb27166853 [0,2,0,0,0,0|1,0,0]=3 5746 B11R1.225 CNC(=O)c1cc(C)sc1N Amb9028277 [0,2,0,0,0,0|1,0,0]=3 5747 B11R1.225 CNC(=S)c1cc(C)sc1C Amb27814378 [0,2,0,0,0,0|1,1,0]=4 5748 B11R1.225 COC(=O)c1cc(Br)oc1Br Amb22001277 [0,2,0,0,0,0|1,1,0]=4 5749 B11R1.225 COC(=O)c1cc(Br)oc1C Amb22234642 [0,2,0,0,0,0|1,1,0]=4 5750 B11R1.225 COC(=O)c1cc(Br)sc1Br Amb21520281 [0,2,0,0,0,0|1,0,0]=3 5751 B11R1.225 COC(=O)c1cc(Br)sc1C Amb21964287 [0,2,0,0,0,0|1,0,0]=3 5752 B11R1.225 COC(=O)c1cc(Br)sc1Cl Amb22751738 [0,2,0,0,0,0|1,0,0]=3 5753 B11R1.225 COC(=O)c1cc(Br)sc1N Amb25893432 [0,2,0,0,0,0|1,0,0]=3 5754 B11R1.225 COC(=O)c1cc(C)cn1C Amb27664646 [0,2,0,0,0,0|2,0,0]=4 5755 B11R1.225 COC(=O)c1cc(C)nn1C Amb6889648 [0,2,0,0,0,0|2,0,0]=4 5756 B11R1.225 COC(=O)c1cc(C)nn1N Amb20242183 [0,2,0,0,0,0|2,0,0]=4 5757 B11R1.225 COC(=O)c1cc(C)oc1Br Amb35825230 [0,2,0,0,0,0|0,1,0]=3 5758 B11R1.225 COC(=O)c1cc(C)oc1C Amb6608756 [0,2,0,0,0,0|0,1,0]=3 5759 B11R1.225 COC(=O)c1cc(C)sc1Br Amb10067518 [0,2,0,0,0,0|0,0,0]=2 5760 B11R1.225 COC(=O)c1cc(C)sc1N Amb6335385 [0,2,0,0,0,0|0,0,0]=2 5761 B11R1.225 COC(=O)c1cc(Cl)sc1Cl Amb5720945 [0,2,0,0,0,0|1,0,0]=3 5762 B11R1.225 COC(=O)c1cc(Cl)sc1N Amb22728838 [0,2,0,0,0,0|1,0,0]=3 5763 B11R1.225 COC(=O)c1cc(I)oc1C Amb27246499 [0,2,0,0,0,0|1,1,0]=4 5764 B11R1.225 COC(=O)c1cc(N)sc1C Amb13881339 [0,2,0,0,0,0|1,0,0]=3 5765 B11R1.225 COC(=O)c1cc(O)oc1C Amb33148874 [0,2,0,0,0,0|1,1,0]=4 5766 B11R1.225 COC(=O)c1cn(C)cc1C Amb32684910 [0,2,0,0,0,0|2,0,0]=4 5767 B11R1.225 COC(=O)c1cn(C)cc1N Amb26557271 [0,2,0,0,0,0|2,0,0]=4 5768 B11R1.225 COC(=O)c1cn(C)nc1Br Amb27223095 [0,2,0,0,0,0|2,0,0]=4 5769 B11R1.225 COC(=O)c1cn(C)nc1C Amb6889971 [0,2,0,0,0,0|2,0,0]=4 5770 B11R1.225 COC(=O)c1cn(C)nc1I Amb31208200 [0,2,0,0,0,0|2,0,0]=4 5771 B11R1.225 COC(=O)c1cn(C)nc1N Amb18200493 [0,2,0,0,0,0|2,0,0]=4 5772 B11R1.225 COC(=O)c1nc(Br)sc1Br Amb10067423 [0,2,0,0,0,0|2,0,0]=4 5773 B11R1.225 COC(=O)c1nc(Br)sc1C Amb16185764 [0,2,0,0,0,0|2,0,0]=4 5774 B11R1.225 COC(=O)c1nc(Br)sc1Cl Amb10067424 [0,2,0,0,0,0|2,0,0]=4 5775 B11R1.225 COC(=O)c1nc(Br)sc1N Amb25710442 [0,2,0,0,0,0|2,0,0]=4 5776 B11R1.225 COC(=O)c1nc(C)oc1C Amb27223165 [0,2,0,0,0,0|1,1,0]=4 5777 B11R1.225 COC(=O)c1nc(C)oc1N Amb21837604 [0,2,0,0,0,0|1,1,0]=4 5778 B11R1.225 COC(=O)c1nc(C)sc1Br Amb2455960 [0,2,0,0,0,0|1,0,0]=3 5779 B11R1.225 COC(=O)c1nc(C)sc1N Amb27649270 [0,2,0,0,0,0|1,0,0]=3 5780 B11R1.225 COC(=O)c1nc(Cl)sc1Br Amb22495237 [0,2,0,0,0,0|2,0,0]=4 5781 B11R1.225 COC(=O)c1nc(Cl)sc1C Amb22500782 [0,2,0,0,0,0|2,0,0]=4 5782 B11R1.225 COC(=O)c1nc(Cl)sc1Cl Amb22494886 [0,2,0,0,0,0|2,0,0]=4 5783 B11R1.225 COC(=O)c1nc(Cl)sc1I Amb22494885 [0,2,0,0,0,0|2,0,0]=4 5784 B11R1.225 COC(=O)c1nc(N)sc1Br Amb2455723 [0,2,0,0,0,0|2,0,0]=4 5785 B11R1.225 COC(=O)c1nc(N)sc1C Amb2439054 [0,2,0,0,0,0|2,0,0]=4 5786 B11R1.225 COC(=O)c1nc(N)sc1Cl Amb10067803 [0,2,0,0,0,0|2,0,0]=4 5787 B11R1.225 COC(=O)c1nc(N)sc1I Amb26038834 [0,2,0,0,0,0|2,0,0]=4 5788 B11R1.225 COC(=O)c1nc(S)sc1N Amb27230288 [0,2,0,0,0,0|2,0,0]=4 5789 B11R1.225 COC(=O)c1oc(C)cc1C Amb23591079 [0,2,0,0,0,0|2,0,0]=4 5790 B11R1.225 COC(=O)c1oc(C)cc1N Amb27823287 [0,2,0,0,0,0|2,0,0]=4 5791 B11R1.225 COC(=O)c1oc(C)nc1C Amb26371364 [0,2,0,0,0,0|2,0,0]=4 5792 B11R1.225 COC(=O)c1sc(C)cc1Br Amb16185828 [0,2,0,0,0,0|2,0,0]=4 5793 B11R1.225 COC(=O)c1sc(C)cc1Cl Amb25213380 [0,2,0,0,0,0|2,0,0]=4 5794 B11R1.225 COC(=O)c1sc(C)cc1N Amb2611563 [0,2,0,0,0,0|2,0,0]=4 5795 B11R1.225 COC(=O)c1sc(C)cc1O Amb1155971 [0,2,0,0,0,0|2,0,0]=4 5796 B11R1.225 COC(=O)c1sc(C)nc1C Amb20670873 [0,2,0,0,0,0|2,0,0]=4 5797 B11R1.225 COC(=O)c1sc(C)nc1Cl Amb24468492 [0,2,0,0,0,0|2,0,0]=4 5798 B11R1.225 COC(=O)c1sc(C)nc1N Amb28240953 [0,2,0,0,0,0|2,0,0]=4 5799 B11R1.225 C\C(=N/O)c1cc(C)oc1C Amb2612974 [0,2,0,0,0,0|1,1,0]=4 5800 B11R1.225 C\C(=N/O)c1cc(Cl)sc1Cl Amb2227897 [0,2,0,0,0,0|2,0,0]=4 5801 B11R1.225 Cc1cc(C(=O)CBr)c(C)s1 Amb9211096 [0,2,0,0,0,0|1,0,0]=3 5802 B11R1.225 Cc1cc(C(=O)CCl)c(C)o1 Amb22395328 [0,2,0,0,0,0|1,1,0]=4 5803 B11R1.225 Cc1cc(C(=O)CCl)c(C)s1 Amb6341894 [0,2,0,0,0,0|1,0,0]=3 5804 B11R1.225 Cc1cc(C(=O)CN)c(C)o1 Amb26619983 [0,2,0,0,0,0|1,1,0]=4 5805 B11R1.225 Cc1cc(C(=O)CN)c(C)s1 Amb18908787 [0,2,0,0,0,0|1,0,0]=3 5806 B11R1.225 Cc1cc(C(=O)CO)c(C)s1 Amb5638948 [0,2,0,0,0,0|0,0,0]=2 5807 B11R1.225 Cc1cc(C(=O)NN)c(C)o1 Amb1104504 [0,2,0,0,0,0|1,1,0]=4 5808 B11R1.225 Cc1cc(C(=O)NN)c(C)o1 Amb21959591 [0,2,0,0,0,0|1,1,0]=4 5809 B11R1.225 Cc1cc(C(=O)NN)c(N)s1 Amb6753848 [0,2,0,0,0,0|1,0,0]=3 5810 B11R1.225 Cc1cc(C(=O)NO)n(C)n1 Amb26080384 [0,2,0,0,0,0|2,0,0]=4 5811 B11R1.225 Cc1cc(C(C)C=O)c(C)s1 Amb33472647 [0,2,0,0,0,0|1,0,1]=4 5812 B11R1.225 Cc1cc(C(C)NO)c(C)s1 Amb27656588 [0,2,0,0,0,0|1,0,1]=4 5813 B11R1.225 Cc1cc(C(C)ON)c(C)s1 Amb33473063 [0,2,0,0,0,0|1,0,1]=4 5814 B11R1.225 Cc1cc(C(N)CO)c(C)s1 Amb18282865 [0,2,0,0,0,0|1,0,1]=4 5815 B11R1.225 Cc1cc(C(O)CBr)c(C)s1 Amb33006814 [0,2,0,0,0,0|1,0,1]=4 5816 B11R1.225 Cc1cc(C(O)CCl)c(C)s1 Amb33222370 [0,2,0,0,0,0|1,0,1]=4 5817 B11R1.225 Cc1cc(C(O)CF)c(C)s1 Amb33472646 [0,2,0,0,0,0|1,0,1]=4 5818 B11R1.225 Cc1cc(C(O)CN)c(C)s1 Amb18964287 [0,2,0,0,0,0|1,0,1]=4 5819 B11R1.225 Cc1cc(C(O)CO)c(C)s1 Amb25704729 [0,2,0,0,0,0|0,0,2]=4 5820 B11R1.225 Cc1cc([C@@H](N)CO)c(C)s1 Amb25823694 [0,2,0,0,0,0|1,0,1]=4 5821 B11R1.225 Cc1cc([C@@H](O)CN)c(C)s1 Amb33473073 [0,2,0,0,0,0|1,0,1]=4 5822 B11R1.225 Cc1cc([C@H](N)CO)c(C)s1 Amb25877485 [0,2,0,0,0,0|1,0,1]=4 5823 B11R1.225 Cc1cc([C@H](O)CN)c(C)s1 Amb33473072 [0,2,0,0,0,0|1,0,1]=4 5824 B11R1.225 Cc1cc(\C(Cl)=N\O)c(C)s1 Amb27652209 [0,2,0,0,0,0|1,0,0]=3 5825 B11R1.225 Cc1nc(C(=O)NN)c(C)s1 Amb33714018 [0,2,0,0,0,0|2,0,0]=4 5826 B11R1.225 Cc1nc(C)c(C(=O)CO)s1 Amb24486270 [0,2,0,0,0,0|2,0,0]=4 5827 B11R1.225 Cc1sc(Cl)cc1C(=O)CBr Amb27950624 [0,2,0,0,0,0|2,0,0]=4 5828 B11R1.225 NCC(=O)c1cc(Br)sc1Br Amb30640124 [0,2,0,0,0,0|2,0,0]=4 5829 B11R1.225 NCC(=O)c1cc(Cl)sc1Cl Amb18253476 [0,2,0,0,0,0|2,0,0]=4 5830 B11R1.225 NCC(=O)c1cc(Cl)sc1Cl Amb32674596 [0,2,0,0,0,0|2,0,0]=4 5831 B11R1.225 NNC(=O)c1cc(Br)sc1Br Amb27397321 [0,2,0,0,0,0|2,0,0]=4 5832 B11R1.225 NNC(=O)c1cc(Cl)sc1Cl Amb23438247 [0,2,0,0,0,0|2,0,0]=4 5833 B11R1.225 O=C(CCl)c1cc(Br)sc1Br Amb1107513 [0,2,0,0,0,0|2,0,0]=4 5834 B11R1.225 O=C(CCl)c1cc(Cl)sc1Cl Amb1107528 [0,2,0,0,0,0|2,0,0]=4 5835 B11R1.225 O=C(CO)c1cc(Cl)sc1Cl Amb5638966 [0,2,0,0,0,0|1,0,0]=3 5836 B11R1.226 COC(=O)c1cc(Br)c(C)s1 Amb22234633 [0,2,0,0,0,0|2,0,0]=4 5837 B11R1.226 COC(=O)c1cc(Br)n(C)c1 Amb28365597 [0,2,0,0,0,0|2,0,0]=4 5838 B11R1.226 COC(=O)c1cc(C)c(Br)s1 Amb2723438 [0,2,0,0,0,0|2,0,0]=4 5839 B11R1.226 COC(=O)c1cc(C)c(C)o1 Amb17672641 [0,2,0,0,0,0|2,0,0]=4 5840 B11R1.226 COC(=O)c1cc(C)c(C)s1 Amb22490239 [0,2,0,0,0,0|2,0,0]=4 5841 B11R1.226 COC(=O)c1cc(C)c(N)s1 Amb28205369 [0,2,0,0,0,0|2,0,0]=4 5842 B11R1.226 COC(=O)c1cc(C)n(C)c1 Amb28381733 [0,2,0,0,0,0|1,0,0]=3 5843 B11R1.226 COC(=O)c1cc(C)n(C)n1 Amb6335764 [0,2,0,0,0,0|2,0,0]=4 5844 B11R1.226 COC(=O)c1cc(C)n(N)n1 Amb26880210 [0,2,0,0,0,0|2,0,0]=4 5845 B11R1.226 COC(=O)c1cc(Cl)c(C)s1 Amb23537567 [0,2,0,0,0,0|2,0,0]=4 5846 B11R1.226 COC(=O)c1cc(I)c(C)s1 Amb24455666 [0,2,0,0,0,0|2,0,0]=4 5847 B11R1.226 COC(=O)c1cc(N)c(C)s1 Amb18953079 [0,2,0,0,0,0|2,0,0]=4 5848 B11R1.226 COC(=O)c1cc(N)n(C)c1 Amb27781115 [0,2,0,0,0,0|2,0,0]=4 5849 B11R1.226 COC(=O)c1cn(C)c(C)n1 Amb27253122 [0,2,0,0,0,0|2,0,0]=4 5850 B11R1.226 Cc1cc(C(=O)NO)nn1C Amb28254514 [0,2,0,0,0,0|2,0,0]=4 5851 B11R1.865 C=CC(=O)c1csc(C)c1C Amb27786088 [0,2,0,0,0,0|1,0,0]=3 5852 B11R1.865 COC(=O)C1=C(N)C(C)SC1 Amb22753587 [0,2,0,0,0,0|0,0,2]=4 5853 B11R1.865 COC(=O)c1ccn(C)c1C Amb22899492 [0,2,0,0,0,0|2,0,0]=4 5854 B11R1.865 COC(=O)c1cnc(C)n1N Amb35745022 [0,2,0,0,0,0|2,0,0]=4 5855 B11R1.865 COC(=O)c1cnn(C)c1Br Amb25358475 [0,2,0,0,0,0|2,0,0]=4 5856 B11R1.865 COC(=O)c1cnn(C)c1C Amb6890128 [0,2,0,0,0,0|2,0,0]=4 5857 B11R1.865 COC(=O)c1cnn(C)c1Cl Amb25756951 [0,2,0,0,0,0|2,0,0]=4 5858 B11R1.865 COC(=O)c1cnn(C)c1I Amb25684353 [0,2,0,0,0,0|2,0,0]=4 5859 B11R1.865 COC(=O)c1cnn(C)c1N Amb5718225 [0,2,0,0,0,0|2,0,0]=4 5860 B11R1.865 COC(=O)c1cnn(C)c1O Amb27954687 [0,2,0,0,0,0|2,0,0]=4 5861 B11R1.865 COC(=O)c1cnn(C)c1S Amb25097087 [0,2,0,0,0,0|2,0,0]=4 5862 B11R1.865 COC(=O)c1coc(Br)c1F Amb27634262 [0,2,0,0,0,0|1,1,0]=4 5863 B11R1.865 COC(=O)c1csc(Br)c1Br Amb2613281 [0,2,0,0,0,0|1,0,0]=3 5864 B11R1.865 COC(=O)c1csc(Br)c1C Amb26319056 [0,2,0,0,0,0|1,0,0]=3 5865 B11R1.865 COC(=O)c1csc(Br)c1F Amb28196512 [0,2,0,0,0,0|1,0,0]=3 5866 B11R1.865 COC(=O)c1csc(C)c1C Amb23571036 [0,2,0,0,0,0|0,0,0]=2 5867 B11R1.865 COC(=O)c1csc(C)c1N Amb21963842 [0,2,0,0,0,0|0,0,0]=2 5868 B11R1.865 COC(=O)c1csc(I)c1Br Amb2611493 [0,2,0,0,0,0|1,0,0]=3 5869 B11R1.865 COC(=O)c1csc(N)c1C Amb33550595 [0,2,0,0,0,0|1,0,0]=3 5870 B11R1.865 COC(=O)c1csc(S)c1C Amb28284815 [0,2,0,0,0,0|1,0,0]=3 5871 B11R1.865 COC(=O)c1noc(C)c1Br Amb9902105 [0,2,0,0,0,0|1,1,0]=4 5872 B11R1.865 COC(=O)c1noc(C)c1C Amb26880299 [0,2,0,0,0,0|1,1,0]=4 5873 B11R1.865 COC(=O)c1noc(C)c1Cl Amb24269232 [0,2,0,0,0,0|1,1,0]=4 5874 B11R1.865 COC(=O)c1noc(C)c1I Amb24501566 [0,2,0,0,0,0|1,1,0]=4 5875 B11R1.865 COC(=O)c1nsc(Cl)c1Cl Amb2228635 [0,2,0,0,0,0|2,0,0]=4 5876 B11R1.865 COC(=O)c1occ(C)c1C Amb25372575 [0,2,0,0,0,0|2,0,0]=4 5877 B11R1.865 COC(=O)c1onc(C)c1Br Amb23592258 [0,2,0,0,0,0|2,0,0]=4 5878 B11R1.865 COC(=O)c1onc(C)c1C Amb23569144 [0,2,0,0,0,0|2,0,0]=4 5879 B11R1.865 COC(=O)c1onc(C)c1Cl Amb24578582 [0,2,0,0,0,0|2,0,0]=4 5880 B11R1.865 COC(=O)c1onc(C)c1I Amb35749337 [0,2,0,0,0,0|2,0,0]=4 5881 B11R1.865 COC(=O)c1onc(C)c1N Amb10604654 [0,2,0,0,0,0|2,0,0]=4 5882 B11R1.865 COC(=O)c1scc(C)c1Br Amb2738037 [0,2,0,0,0,0|2,0,0]=4 5883 B11R1.865 COC(=O)c1scc(C)c1C Amb27466176 [0,2,0,0,0,0|2,0,0]=4 5884 B11R1.865 COC(=O)c1scc(C)c1Cl Amb2689396 [0,2,0,0,0,0|2,0,0]=4 5885 B11R1.865 COC(=O)c1scc(C)c1I Amb2691623 [0,2,0,0,0,0|2,0,0]=4 5886 B11R1.865 COC(=O)c1scc(C)c1N Amb2689318 [0,2,0,0,0,0|2,0,0]=4 5887 B11R1.865 COC(=O)c1scc(C)c1N Amb2737776 [0,2,0,0,0,0|2,0,0]=4 5888 B11R1.865 COC(=O)c1scc(C)c1O Amb26504563 [0,2,0,0,0,0|2,0,0]=4 5889 B11R1.865 COC(=O)c1snc(C)c1N Amb33737742 [0,2,0,0,0,0|2,0,0]=4 5890 B11R1.865 Cc1coc(C(=O)NO)c1C Amb27394720 [0,2,0,0,0,0|2,0,0]=4 5891 B11R1.865 Cc1csc(C(=O)NO)c1Cl Amb27210598 [0,2,0,0,0,0|2,0,0]=4 5892 B11R1.865 Cc1noc(C(=O)NO)c1C Amb23589561 [0,2,0,0,0,0|2,0,0]=4 5893 B11R1.865 Cc1scc(C(=O)CCl)c1C Amb22395060 [0,2,0,0,0,0|1,0,0]=3 5894 B11R1.865 Cc1scc(C(=O)NN)c1C Amb6497493 [0,2,0,0,0,0|1,0,0]=3 5895 B11R1.865 Cn1ncc(C(=O)NO)c1N Amb27207264 [0,2,0,0,0,0|2,0,0]=4 5896 B11R1.866 COC(=O)C1=CSC(C)(C)N1 Amb27176369 [0,2,0,0,0,0|1,0,1]=4 5897 B11R1.45 CCc1cc(S(=O)(=O)Cl)cs1 Amb20619526 [0,2,0,0,0,0|1,0,1]=4 5898 B11R1.45 CCc1cc(S(=O)(=O)F)cs1 Amb32718062 [0,2,0,0,0,0|1,0,1]=4 5899 B11R1.48 C=Cc1sc(C(=O)O)cc1C Amb27840318 [0,2,0,0,0,0|2,0,0]=4 5900 B11R1.48 CCc1cc(C(=O)O)nn1C Amb5750599 [0,2,0,0,0,0|2,0,0]=4 5901 B11R1.48 CCc1cc(C(=O)O)sc1C Amb1105368 [0,2,0,0,0,0|2,0,0]=4 5902 B11R1.48 CCc1nc(C(=O)O)cn1C Amb18064440 [0,2,0,0,0,0|2,0,0]=4 5903 B11R1.48 CCc1oc(C(=O)O)cc1Br Amb29860659 [0,2,0,0,0,0|2,0,0]=4 5904 B11R1.48 CCc1oc(C(=O)O)cc1C Amb18685127 [0,2,0,0,0,0|2,0,0]=4 5905 B11R1.48 CCc1sc(C(=O)O)cc1Br Amb1946278 [0,2,0,0,0,0|2,0,0]=4 5906 B11R1.48 CCc1sc(C(=O)O)cc1C Amb434061 [0,2,0,0,0,0|2,0,0]=4 5907 B11R1.48 CCc1sc(C(=O)O)cc1Cl Amb22755085 [0,2,0,0,0,0|2,0,0]=4 5908 B11R1.48 CCn1cc(C(=O)O)nc1C Amb29877264 [0,2,0,0,0,0|2,0,0]=4 5909 B11R1.48 CCn1nc(C(=O)O)cc1C Amb535350 [0,2,0,0,0,0|2,0,0]=4 5910 B11R1.48 CNc1nc(C(=O)O)cn1C Amb27958736 [0,2,0,0,0,0|2,0,0]=4 5911 B11R1.48 CNc1oc(C(=O)O)cc1Br Amb29860622 [0,2,0,0,0,0|2,0,0]=4 5912 B11R1.48 COc1cc(C(=O)O)nn1C Amb19957325 [0,2,0,0,0,0|2,0,0]=4 5913 B11R1.48 COc1cc(C(=O)O)oc1C Amb27397701 [0,2,0,0,0,0|2,0,0]=4 5914 B11R1.48 COc1cc(C(=O)O)sc1Br Amb27635171 [0,2,0,0,0,0|2,0,0]=4 5915 B11R1.48 COc1oc(C(=O)O)cc1Br Amb23538047 [0,2,0,0,0,0|2,0,0]=4 5916 B11R1.48 COc1sc(C(=O)O)cc1Br Amb8439403 [0,2,0,0,0,0|2,0,0]=4 5917 B11R1.48 COc1sc(C(=O)O)cc1Cl Amb27221748 [0,2,0,0,0,0|2,0,0]=4 5918 B11R1.48 CSc1cc(C(=O)O)oc1C Amb19334672 [0,2,0,0,0,0|2,0,0]=4 5919 B11R1.48 CSc1oc(C(=O)O)cc1Br Amb23538061 [0,2,0,0,0,0|2,0,0]=4 5920 B11R1.48 CSc1sc(C(=O)O)cc1Br Amb19515239 [0,2,0,0,0,0|2,0,0]=4 5921 B11R1.48 CSc1sc(C(=O)O)cc1N Amb18820000 [0,2,0,0,0,0|2,0,0]=4 5922 B11R1.48 Cc1cc(C(=O)O)sc1C#N Amb27591458 [0,2,0,0,0,0|2,0,0]=4 5923 B11R1.48 Cc1cc(C(=O)O)sc1C=O Amb20528197 [0,2,0,0,0,0|2,0,0]=4 5924 B11R1.48 Cc1oc(C(=O)O)cc1C=O Amb25072540 [0,2,0,0,0,0|2,0,0]=4 5925 B11R1.48 Cc1oc(C(=O)O)cc1CN Amb22587991 [0,2,0,0,0,0|2,0,0]=4 5926 B11R1.48 Cc1oc(C(=O)O)cc1CN Amb2697478 [0,2,0,0,0,0|2,0,0]=4 5927 B11R1.48 Cc1oc(C(=O)O)cc1CO Amb18285035 [0,2,0,0,0,0|2,0,0]=4 5928 B11R1.48 Cc1sc(C(=O)O)cc1CN Amb25340991 [0,2,0,0,0,0|2,0,0]=4 5929 B11R1.48 Cc1sc(C(=O)O)cc1CN Amb31188259 [0,2,0,0,0,0|2,0,0]=4 5930 B11R1.48 Cn1cc(C(=O)O)cc1C=O Amb18201181 [0,2,0,0,0,0|1,0,1]=4 5931 B11R1.48 Cn1cc(C(=O)O)nc1CN Amb25685145 [0,2,0,0,0,0|2,0,0]=4 5932 B11R1.48 Cn1cc(C(=O)O)nc1CN Amb33328697 [0,2,0,0,0,0|2,0,0]=4 5933 B11R1.48 Cn1nc(C(=O)O)cc1CBr Amb28190383 [0,2,0,0,0,0|2,0,0]=4 5934 B11R1.48 Cn1nc(C(=O)O)cc1CN Amb33353746 [0,2,0,0,0,0|2,0,0]=4 5935 B11R1.48 Cn1nc(C(=O)O)cc1CO Amb25188644 [0,2,0,0,0,0|2,0,0]=4 5936 B11R1.48 Cn1nc(C(=O)O)cc1CS Amb32788455 [0,2,0,0,0,0|2,0,0]=4 5937 B11R1.48 NCc1cc(C(=O)O)sc1Cl Amb32757471 [0,2,0,0,0,0|2,0,0]=4 5938 B11R1.48 NCc1cc(C(=O)O)sc1Cl Amb32757472 [0,2,0,0,0,0|2,0,0]=4 5939 B11R1.48 NCc1sc(C(=O)O)cc1Cl Amb27495521 [0,2,0,0,0,0|2,0,0]=4 5940 B11R1.48 O=C(O)c1cc(CCl)c(Cl)s1 Amb13883760 [0,2,0,0,0,0|2,0,0]=4 5941 B11R1.50 C=Cc1cc(C(=O)O)c(C)o1 Amb26012199 [0,2,0,0,0,0|0,1,1]=4 5942 B11R1.50 CC(=O)c1cc(CCl)oc1C Amb27476201 [0,2,0,0,0,0|1,1,0]=4 5943 B11R1.50 CC(=O)c1cc(CO)oc1N Amb26560036 [0,2,0,0,0,0|1,1,0]=4 5944 B11R1.50 CC(=O)c1nc(CN)sc1C Amb33132943 [0,2,0,0,0,0|2,0,0]=4 5945 B11R1.50 CCc1cc(Br)c(C(=O)O)s1 Amb18740676 [0,2,0,0,0,0|2,0,0]=4 5946 B11R1.50 CCc1cc(C(=O)Cl)c(C)s1 Amb27977886 [0,2,0,0,0,0|1,0,0]=3 5947 B11R1.50 CCc1cc(C(=O)O)c(C)o1 Amb27954754 [0,2,0,0,0,0|0,1,0]=3 5948 B11R1.50 CCc1cc(C(=O)O)c(N)s1 Amb9775099 [0,2,0,0,0,0|0,0,0]=2 5949 B11R1.50 CCc1cc(C(=O)O)n(C)c1 Amb21971302 [0,2,0,0,0,0|2,0,0]=4 5950 B11R1.50 CCc1cc(C(=O)O)n(C)n1 Amb33542617 [0,2,0,0,0,0|2,0,0]=4 5951 B11R1.50 CCc1cc(C(N)=O)c(N)s1 Amb7173510 [0,2,0,0,0,0|1,0,0]=3 5952 B11R1.50 CCc1cc(C)c(C(=O)O)o1 Amb18125692 [0,2,0,0,0,0|2,0,0]=4 5953 B11R1.50 CCc1cc(N)c(C(=O)O)s1 Amb18198613 [0,2,0,0,0,0|2,0,0]=4 5954 B11R1.50 CCc1nc(C(=O)O)c(Br)s1 Amb35788334 [0,2,0,0,0,0|1,0,0]=3 5955 B11R1.50 CCc1nc(C(=O)O)c(C)o1 Amb18959885 [0,2,0,0,0,0|1,1,0]=4 5956 B11R1.50 CCc1nc(C(=O)O)c(C)s1 Amb18647502 [0,2,0,0,0,0|1,0,0]=3 5957 B11R1.50 CCc1nc(C(=O)O)c(N)o1 Amb27483167 [0,2,0,0,0,0|1,1,0]=4 5958 B11R1.50 CCc1nc(C(=O)O)c(N)s1 Amb25716803 [0,2,0,0,0,0|1,0,0]=3 5959 B11R1.50 CCc1nc(C)c(C(=O)O)o1 Amb7088971 [0,2,0,0,0,0|2,0,0]=4 5960 B11R1.50 CCc1nc(C)c(C(=O)O)s1 Amb8845574 [0,2,0,0,0,0|2,0,0]=4 5961 B11R1.50 CCc1nc(N)c(C(=O)O)s1 Amb27157943 [0,2,0,0,0,0|2,0,0]=4 5962 B11R1.50 CCn1cc(C(=O)O)c(Br)n1 Amb23537401 [0,2,0,0,0,0|2,0,0]=4 5963 B11R1.50 CCn1cc(C(=O)O)c(C)n1 Amb1934831 [0,2,0,0,0,0|2,0,0]=4 5964 B11R1.50 CCn1cc(C(=O)O)c(I)n1 Amb31208209 [0,2,0,0,0,0|2,0,0]=4 5965 B11R1.50 CCn1cc(C(=O)O)c(N)n1 Amb22803117 [0,2,0,0,0,0|2,0,0]=4 5966 B11R1.50 CCn1cc(C)c(C(=O)O)c1 Amb23536222 [0,2,0,0,0,0|2,0,0]=4 5967 B11R1.50 CNc1nc(C(=O)O)c(C)s1 Amb27839802 [0,2,0,0,0,0|1,0,0]=3 5968 B11R1.50 CNc1nc(C(N)=O)c(N)s1 Amb10607913 [0,2,0,0,0,0|2,0,0]=4 5969 B11R1.50 CNc1nc(C)c(C(=O)O)s1 Amb652408 [0,2,0,0,0,0|2,0,0]=4 5970 B11R1.50 CNc1nc(Cl)c(C(=O)O)s1 Amb28255088 [0,2,0,0,0,0|2,0,0]=4 5971 B11R1.50 COc1cc(C(=O)O)c(C)s1 Amb27837164 [0,2,0,0,0,0|0,0,0]=2 5972 B11R1.50 COc1cc(C(=O)O)n(C)c1 Amb28060916 [0,2,0,0,0,0|2,0,0]=4 5973 B11R1.50 COc1cc(C(=O)O)n(C)n1 Amb19957309 [0,2,0,0,0,0|2,0,0]=4 5974 B11R1.50 COc1nc(C)c(C(=O)O)s1 Amb2592215 [0,2,0,0,0,0|2,0,0]=4 5975 B11R1.50 COc1nc(Cl)c(C(=O)O)s1 Amb26600495 [0,2,0,0,0,0|2,0,0]=4 5976 B11R1.50 CSc1cc(C(=O)O)c(C)o1 Amb28723863 [0,2,0,0,0,0|0,1,0]=3 5977 B11R1.50 CSc1cc(C)c(C(=O)O)o1 Amb28903912 [0,2,0,0,0,0|2,0,0]=4 5978 B11R1.50 CSc1cc(C)c(C(=O)O)s1 Amb18191091 [0,2,0,0,0,0|2,0,0]=4 5979 B11R1.50 CSc1nc(C(=O)O)c(C)s1 Amb28208743 [0,2,0,0,0,0|1,0,0]=3 5980 B11R1.50 CSc1nc(C(N)=O)c(N)s1 Amb2614582 [0,2,0,0,0,0|2,0,0]=4 5981 B11R1.50 CSc1nc(N)c(C(=O)O)s1 Amb18190974 [0,2,0,0,0,0|2,0,0]=4 5982 B11R1.50 Cc1cc(CN)oc1C(=O)O Amb25353472 [0,2,0,0,0,0|2,0,0]=4 5983 B11R1.50 Cc1cc(CO)oc1C(=O)O Amb9485240 [0,2,0,0,0,0|2,0,0]=4 5984 B11R1.50 Cc1nc(CN)oc1C(=O)O Amb18563011 [0,2,0,0,0,0|2,0,0]=4 5985 B11R1.50 Cc1nc(CN)sc1C(=O)O Amb18015617 [0,2,0,0,0,0|2,0,0]=4 5986 B11R1.50 Cc1nc(CN)sc1C(=O)O Amb18937281 [0,2,0,0,0,0|2,0,0]=4 5987 B11R1.50 Cc1nc(CN)sc1C(=O)O Amb5754359 [0,2,0,0,0,0|2,0,0]=4 5988 B11R1.50 Cc1nc(CO)sc1C(=O)O Amb25124934 [0,2,0,0,0,0|2,0,0]=4 5989 B11R1.50 Cc1oc(C#N)cc1C(=O)O Amb25790109 [0,2,0,0,0,0|0,1,1]=4 5990 B11R1.50 Cc1oc(C=O)cc1C(=O)O Amb27823112 [0,2,0,0,0,0|0,1,1]=4 5991 B11R1.50 Cc1oc(CCl)cc1C(=O)O Amb28137388 [0,2,0,0,0,0|0,1,0]=3 5992 B11R1.50 Cc1oc(CCl)nc1C(=O)O Amb27951084 [0,2,0,0,0,0|1,1,0]=4 5993 B11R1.50 Cc1oc(CN)cc1C(=O)O Amb25760427 [0,2,0,0,0,0|0,1,0]=3 5994 B11R1.50 Cc1oc(CN)cc1C(=O)O Amb28653013 [0,2,0,0,0,0|0,1,0]=3 5995 B11R1.50 Cc1oc(CN)nc1C(=O)O Amb22641981 [0,2,0,0,0,0|1,1,0]=4 5996 B11R1.50 Cc1oc(CO)cc1C(=O)O Amb463302 [0,2,0,0,0,0|0,1,0]=3 5997 B11R1.50 Cc1sc(CN)nc1C(=O)O Amb27831306 [0,2,0,0,0,0|1,0,0]=3 5998 B11R1.50 Cc1sc(CN)nc1C(=O)O Amb32721477 [0,2,0,0,0,0|1,0,0]=3 5999 B11R1.50 Cc1sc(CN)nc1C(N)=O Amb33228482 [0,2,0,0,0,0|2,0,0]=4 6000 B11R1.50 Cc1sc(CO)nc1C(=O)O Amb28143224 [0,2,0,0,0,0|1,0,0]=3 6001 B11R1.50 Cn1cc(CN)cc1C(=O)O Amb27224922 [0,2,0,0,0,0|2,0,0]=4 6002 B11R1.50 Cn1nc(CF)cc1C(=O)O Amb25893109 [0,2,0,0,0,0|2,0,0]=4 6003 B11R1.50 Cn1nc(CN)cc1C(=O)O Amb27267222 [0,2,0,0,0,0|2,0,0]=4 6004 B11R1.50 NCc1cc(C(N)=O)c(N)s1 Amb17098188 [0,2,0,0,0,0|1,0,0]=3 6005 B11R1.50 O=C(O)c1nc(CCl)oc1Cl Amb27811937 [0,2,0,0,0,0|1,1,0]=4 6006 B11R1.50 O=C(O)c1sc(CBr)nc1O Amb28041750 [0,2,0,0,0,0|2,0,0]=4 6007 B11R1.50 O=Cc1cc(C(=O)O)c(Cl)s1 Amb18650321 [0,2,0,0,0,0|0,0,1]=3 6008 B11R1.124 C#CCn1cc(C(=O)O)cn1 Amb9428259 [0,2,0,0,0,0|2,0,0]=4 6009 B11R1.124 C=CCc1ccc(C(=O)O)o1 Amb27974261 [0,2,0,0,0,0|2,0,0]=4 6010 B11R1.124 C=CCc1ccc(C(=O)O)s1 Amb27233618 [0,2,0,0,0,0|2,0,0]=4 6011 B11R1.124 C=CCc1nc(C(=O)O)cs1 Amb17205279 [0,2,0,0,0,0|1,0,0]=3 6012 B11R1.124 C=CCn1cc(C(=O)O)cn1 Amb9428126 [0,2,0,0,0,0|2,0,0]=4 6013 B11R1.124 CC#Cc1ncc(C(=O)O)o1 Amb27856932 [0,2,0,0,0,0|2,0,0]=4 6014 B11R1.124 CC(=O)c1csc(CCN)n1 Amb27831728 [0,2,0,0,0,0|2,0,0]=4 6015 B11R1.124 CCCc1cc(C(=O)Cl)cs1 Amb16230130 [0,2,0,0,0,0|1,0,0]=3 6016 B11R1.124 CCCc1cc(C(=O)O)co1 Amb27231823 [0,2,0,0,0,0|0,1,0]=3 6017 B11R1.124 CCCc1cc(C(=O)O)cs1 Amb2154727 [0,2,0,0,0,0|0,0,0]=2 6018 B11R1.124 CCCc1cc(C(=O)O)no1 Amb6336161 [0,2,0,0,0,0|1,1,0]=4 6019 B11R1.124 CCCc1cc(C(=O)O)on1 Amb6890467 [0,2,0,0,0,0|2,0,0]=4 6020 B11R1.124 CCCc1cc(C(=O)O)sn1 Amb32863221 [0,2,0,0,0,0|2,0,0]=4 6021 B11R1.124 CCCc1ccc(C(=O)O)o1 Amb1074343 [0,2,0,0,0,0|2,0,0]=4 6022 B11R1.124 CCCc1ccc(C(=O)O)s1 Amb2721770 [0,2,0,0,0,0|2,0,0]=4 6023 B11R1.124 CCCc1coc(C(=O)O)c1 Amb25810820 [0,2,0,0,0,0|2,0,0]=4 6024 B11R1.124 CCCc1nc(C(=O)O)co1 Amb18296164 [0,2,0,0,0,0|1,1,0]=4 6025 B11R1.124 CCCc1nc(C(=O)O)cs1 Amb33532474 [0,2,0,0,0,0|1,0,0]=3 6026 B11R1.124 CCCc1ncc(C(=O)O)s1 Amb33532475 [0,2,0,0,0,0|2,0,0]=4 6027 B11R1.124 CCCn1cc(C(=O)O)cn1 Amb33531904 [0,2,0,0,0,0|2,0,0]=4 6028 B11R1.124 CCNc1nc(C(=O)O)cs1 Amb13783654 [0,2,0,0,0,0|1,0,0]=3 6029 B11R1.124 CCNc1nc(C(C)=O)cs1 Amb18065478 [0,2,0,0,0,0|2,0,0]=4 6030 B11R1.124 CCNc1ncc(C(=O)O)s1 Amb19149061 [0,2,0,0,0,0|2,0,0]=4 6031 B11R1.124 CCOc1cc(C(=O)O)on1 Amb10604429 [0,2,0,0,0,0|2,0,0]=4 6032 B11R1.124 CCOc1ccc(C(=O)O)o1 Amb2819611 [0,2,0,0,0,0|2,0,0]=4 6033 B11R1.124 CCOc1ccc(C(=O)O)s1 Amb5717836 [0,2,0,0,0,0|2,0,0]=4 6034 B11R1.124 CCOc1csc(C(=O)O)c1 Amb6718269 [0,2,0,0,0,0|2,0,0]=4 6035 B11R1.124 CCOc1nc(C(=O)O)co1 Amb24406728 [0,2,0,0,0,0|1,1,0]=4 6036 B11R1.124 CCOc1ncc(C(=O)O)s1 Amb2592214 [0,2,0,0,0,0|2,0,0]=4 6037 B11R1.124 CCSc1cc(C(=O)O)no1 Amb26317829 [0,2,0,0,0,0|1,1,0]=4 6038 B11R1.124 CCSc1ccc(C(=O)O)s1 Amb6889542 [0,2,0,0,0,0|2,0,0]=4 6039 B11R1.124 CCSc1nc(C(=O)O)cs1 Amb27190431 [0,2,0,0,0,0|1,0,0]=3 6040 B11R1.124 CNCc1cc(B(O)O)cs1 Amb26021647 [0,2,0,0,0,0|1,0,1]=4 6041 B11R1.124 CNCc1cc(C(=O)O)cs1 Amb28074849 [0,2,0,0,0,0|0,0,0]=2 6042 B11R1.124 CNCc1cc(C(=O)O)no1 Amb24351541 [0,2,0,0,0,0|1,1,0]=4 6043 B11R1.124 CNCc1cc(C(N)=O)cs1 Amb27218722 [0,2,0,0,0,0|1,0,0]=3 6044 B11R1.124 CNCc1ccc(C(=O)O)o1 Amb30584639 [0,2,0,0,0,0|2,0,0]=4 6045 B11R1.124 CNCc1ccc(C(=O)O)o1 Amb839886 [0,2,0,0,0,0|2,0,0]=4 6046 B11R1.124 CNCc1ccc(C(=O)O)s1 Amb16187125 [0,2,0,0,0,0|2,0,0]=4 6047 B11R1.124 CNCc1ccc(C(=O)O)s1 Amb21959841 [0,2,0,0,0,0|2,0,0]=4 6048 B11R1.124 CNCc1csc(C(=O)O)c1 Amb27473230 [0,2,0,0,0,0|2,0,0]=4 6049 B11R1.124 CNCc1nc(C(=O)O)co1 Amb18065444 [0,2,0,0,0,0|1,1,0]=4 6050 B11R1.124 CNCc1nc(C(=O)O)cs1 Amb27871132 [0,2,0,0,0,0|1,0,0]=3 6051 B11R1.124 CNCc1ncc(C(=O)O)s1 Amb24432965 [0,2,0,0,0,0|2,0,0]=4 6052 B11R1.124 COCc1cc(C(=O)O)co1 Amb18296182 [0,2,0,0,0,0|0,1,0]=3 6053 B11R1.124 COCc1cc(C(=O)O)cs1 Amb28291604 [0,2,0,0,0,0|0,0,0]=2 6054 B11R1.124 COCc1cc(C(=O)O)no1 Amb18977720 [0,2,0,0,0,0|1,1,0]=4 6055 B11R1.124 COCc1cc(C(=O)O)on1 Amb24443005 [0,2,0,0,0,0|2,0,0]=4 6056 B11R1.124 COCc1cc(C(=O)O)sn1 Amb18138121 [0,2,0,0,0,0|2,0,0]=4 6057 B11R1.124 COCc1cc(C(C)=O)cs1 Amb35616741 [0,2,0,0,0,0|1,0,0]=3 6058 B11R1.124 COCc1cc(C(C)O)cs1 Amb35612464 [0,2,0,0,0,0|1,0,1]=4 6059 B11R1.124 COCc1ccc(C(=O)O)o1 Amb1106221 [0,2,0,0,0,0|2,0,0]=4 6060 B11R1.124 COCc1ccc(C(=O)O)s1 Amb7088913 [0,2,0,0,0,0|2,0,0]=4 6061 B11R1.124 COCc1csc(C(=O)O)c1 Amb8010677 [0,2,0,0,0,0|2,0,0]=4 6062 B11R1.124 COCc1nc(C(=O)O)co1 Amb18296098 [0,2,0,0,0,0|1,1,0]=4 6063 B11R1.124 COCc1nc(C(=O)O)cs1 Amb13951219 [0,2,0,0,0,0|1,0,0]=3 6064 B11R1.124 COCc1nc(C(C)=O)cs1 Amb18919923 [0,2,0,0,0,0|2,0,0]=4 6065 B11R1.124 COCc1ncc(C(=O)O)o1 Amb35739402 [0,2,0,0,0,0|2,0,0]=4 6066 B11R1.124 COCc1ncc(C(=O)O)s1 Amb33538795 [0,2,0,0,0,0|2,0,0]=4 6067 B11R1.124 COCn1cc(C(=O)O)cn1 Amb27867254 [0,2,0,0,0,0|2,0,0]=4 6068 B11R1.124 CSCc1cc(C(=O)O)no1 Amb18292148 [0,2,0,0,0,0|1,1,0]=4 6069 B11R1.124 CSCc1cc(C(=O)O)on1 Amb33269988 [0,2,0,0,0,0|2,0,0]=4 6070 B11R1.124 CSCc1ccc(C(=O)O)o1 Amb1105374 [0,2,0,0,0,0|2,0,0]=4 6071 B11R1.124 CSCc1ccc(C(=O)O)s1 Amb27593033 [0,2,0,0,0,0|2,0,0]=4 6072 B11R1.124 CSCc1csc(C(=O)O)c1 Amb35735872 [0,2,0,0,0,0|2,0,0]=4 6073 B11R1.124 CSCc1ncc(C(=O)O)s1 Amb17514488 [0,2,0,0,0,0|2,0,0]=4 6074 B11R1.124 CSSc1ccc(C(=O)O)o1 Amb27435625 [0,2,0,0,0,0|2,0,0]=4 6075 B11R1.124 N#CCc1ccc(C(=O)O)o1 Amb17447059 [0,2,0,0,0,0|2,0,0]=4 6076 B11R1.124 N#CCc1nc(C(=O)O)cs1 Amb8834242 [0,2,0,0,0,0|1,0,0]=3 6077 B11R1.124 N#CCn1cc(C(=O)O)cn1 Amb9428206 [0,2,0,0,0,0|2,0,0]=4 6078 B11R1.124 N#CCn1ccc(C(=O)O)c1 Amb27217709 [0,2,0,0,0,0|2,0,0]=4 6079 B11R1.124 N#CNc1nc(C(=O)O)cs1 Amb35593362 [0,2,0,0,0,0|1,0,1]=4 6080 B11R1.124 NC(=O)c1csc(\C=C\Br)c1 Amb33135572 [0,2,0,0,0,0|1,0,1]=4 6081 B11R1.124 NCCc1cc(C(=O)O)co1 Amb23590340 [0,2,0,0,0,0|0,1,0]=3 6082 B11R1.124 NCCc1cc(C(=O)O)no1 Amb27968267 [0,2,0,0,0,0|1,1,0]=4 6083 B11R1.124 NCCc1cc(C(=O)O)on1 Amb28188810 [0,2,0,0,0,0|2,0,0]=4 6084 B11R1.124 NCCc1ccc(C(=O)O)o1 Amb22009166 [0,2,0,0,0,0|2,0,0]=4 6085 B11R1.124 NCCc1nc(C(=O)O)co1 Amb18062808 [0,2,0,0,0,0|1,1,0]=4 6086 B11R1.124 NCCc1nc(C(=O)O)cs1 Amb17039652 [0,2,0,0,0,0|1,0,0]=3 6087 B11R1.124 NCCc1nc(C(=O)O)cs1 Amb2446489 [0,2,0,0,0,0|1,0,0]=3 6088 B11R1.124 NCCc1ncc(C(=O)O)s1 Amb32686564 [0,2,0,0,0,0|2,0,0]=4 6089 B11R1.124 NCCn1cc(C(=O)O)cn1 Amb33750658 [0,2,0,0,0,0|2,0,0]=4 6090 B11R1.124 NCCn1cc(C(=O)O)cn1 Amb9766413 [0,2,0,0,0,0|2,0,0]=4 6091 B11R1.124 NOCc1cc(C(=O)O)no1 Amb27393312 [0,2,0,0,0,0|1,1,0]=4 6092 B11R1.124 NOCc1ccc(C(=O)O)s1 Amb27462790 [0,2,0,0,0,0|2,0,0]=4 6093 B11R1.124 NOCc1csc(C(=O)O)c1 Amb35637130 [0,2,0,0,0,0|2,0,0]=4 6094 B11R1.124 N\N=C\c1cc(C(N)=O)cs1 Amb28139537 [0,2,0,0,0,0|1,0,1]=4 6095 B11R1.124 O=C(O)C1=CS\C(=C\C=S)S1 Amb27798251 [0,2,0,0,0,0|1,0,1]=4 6096 B11R1.124 O=C(O)c1cc(CCF)no1 Amb25858402 [0,2,0,0,0,0|2,0,0]=4 6097 B11R1.124 O=C(O)c1cc(CCF)on1 Amb33195731 [0,2,0,0,0,0|1,1,0]=4 6098 B11R1.124 O=C(O)c1cc(CCO)on1 Amb27209238 [0,2,0,0,0,0|1,1,0]=4 6099 B11R1.124 O=C(O)c1cc(CNO)cs1 Amb35656463 [0,2,0,0,0,0|2,0,0]=4 6100 B11R1.124 O=C(O)c1ccc(CCBr)s1 Amb22295940 [0,2,0,0,0,0|2,0,0]=4 6101 B11R1.124 O=C(O)c1ccc(CCO)o1 Amb33213472 [0,2,0,0,0,0|2,0,0]=4 6102 B11R1.124 O=C(O)c1cnn(CCBr)c1 Amb23538168 [0,2,0,0,0,0|2,0,0]=4 6103 B11R1.124 O=C(O)c1cnn(CCCl)c1 Amb1102315 [0,2,0,0,0,0|2,0,0]=4 6104 B11R1.124 O=C(O)c1cnn(CCF)c1 Amb33551118 [0,2,0,0,0,0|2,0,0]=4 6105 B11R1.124 O=C(O)c1cnn(CCO)c1 Amb32992765 [0,2,0,0,0,0|2,0,0]=4 6106 B11R1.124 O=C(O)c1cnn(CCO)c1 Amb6268962 [0,2,0,0,0,0|2,0,0]=4 6107 B11R1.124 O=C(O)c1coc(CNO)c1 Amb27982063 [0,2,0,0,0,0|0,1,0]=3 6108 B11R1.124 O=C(O)c1csc(CCO)n1 Amb17205297 [0,2,0,0,0,0|1,0,0]=3 6109 B11R1.124 O=C(O)c1csc(\C=C\Br)c1 Amb33135297 [0,2,0,0,0,0|0,0,1]=3 6110 B11R1.124 O=C(O)c1csc(\C=N\O)n1 Amb27779220 [0,2,0,0,0,0|1,0,1]=4 6111 B11R1.124 O=CNc1nc(C(=O)O)cs1 Amb27984714 [0,2,0,0,0,0|1,0,1]=4 6112 B11R1.175 C=C(C)c1cc(C(=O)O)no1 Amb33199177 [0,2,0,0,0,0|1,1,0]=4 6113 B11R1.175 C=C(C)c1cc(C(=O)O)on1 Amb33199169 [0,2,0,0,0,0|2,0,0]=4 6114 B11R1.175 C=C(C)c1nc(C(=O)O)co1 Amb8389683 [0,2,0,0,0,0|1,1,0]=4 6115 B11R1.175 CC(=O)c1cc(B(O)O)cs1 Amb9774945 [0,2,0,0,0,0|1,0,1]=4 6116 B11R1.175 CC(=O)c1cc(C(=O)O)co1 Amb25088340 [0,2,0,0,0,0|0,1,0]=3 6117 B11R1.175 CC(=O)c1cc(C(=O)O)cs1 Amb5400492 [0,2,0,0,0,0|0,0,0]=2 6118 B11R1.175 CC(=O)c1cc(C(=O)O)no1 Amb10068400 [0,2,0,0,0,0|1,1,0]=4 6119 B11R1.175 CC(=O)c1cc(C(=O)O)on1 Amb18200552 [0,2,0,0,0,0|2,0,0]=4 6120 B11R1.175 CC(=O)c1cc(C(N)=O)co1 Amb26880126 [0,2,0,0,0,0|1,1,0]=4 6121 B11R1.175 CC(=O)c1cc(C(N)=O)cs1 Amb27975466 [0,2,0,0,0,0|1,0,0]=3 6122 B11R1.175 CC(=O)c1cc(C(N)=O)ns1 Amb18198931 [0,2,0,0,0,0|2,0,0]=4 6123 B11R1.175 CC(=O)c1cc(N(=O)=O)cs1 Amb20620187 [0,2,0,0,0,0|1,0,1]=4 6124 B11R1.175 CC(=O)c1ccc(C(=O)O)o1 Amb18125633 [0,2,0,0,0,0|2,0,0]=4 6125 B11R1.175 CC(=O)c1ccc(C(=O)O)s1 Amb6357816 [0,2,0,0,0,0|2,0,0]=4 6126 B11R1.175 CC(=O)c1csc(B(O)O)c1 Amb19959775 [0,2,0,0,0,0|2,0,0]=4 6127 B11R1.175 CC(=O)c1csc(C(=O)O)c1 Amb18126670 [0,2,0,0,0,0|1,0,1]=4 6128 B11R1.175 CC(=O)c1csc(C(C)=O)c1 Amb2228073 [0,2,0,0,0,0|1,0,0]=3 6129 B11R1.175 CC(=O)c1csc(C(C)Br)n1 Amb33188851 [0,2,0,0,0,0|2,0,0]=4 6130 B11R1.175 CC(=O)c1csc(C(C)C)c1 Amb5719849 [0,2,0,0,0,0|1,0,0]=3 6131 B11R1.175 CC(=O)c1csc(C(C)C)n1 Amb33546198 [0,2,0,0,0,0|2,0,0]=4 6132 B11R1.175 CC(=O)c1csc(C(C)N)n1 Amb25142296 [0,2,0,0,0,0|2,0,0]=4 6133 B11R1.175 CC(=O)c1csc(C(C)O)n1 Amb33188557 [0,2,0,0,0,0|2,0,0]=4 6134 B11R1.175 CC(=O)c1csc(N(C)C)n1 Amb18065479 [0,2,0,0,0,0|2,0,0]=4 6135 B11R1.175 CC(=O)c1csc([N+](=O)[O-])c1 Amb2725765 [0,2,0,0,0,0|2,0,0]=4 6136 B11R1.175 CC(=O)c1nc(C(=O)O)cs1 Amb18198671 [0,2,0,0,0,0|1,0,0]=3 6137 B11R1.175 CC(=O)c1nc(C(N)=O)cs1 Amb18198932 [0,2,0,0,0,0|2,0,0]=4 6138 B11R1.175 CC(=O)c1ncc(C(=O)O)s1 Amb22002008 [0,2,0,0,0,0|2,0,0]=4 6139 B11R1.175 CC(C)c1cc(B(O)O)cs1 Amb27197837 [0,2,0,0,0,0|1,0,1]=4 6140 B11R1.175 CC(C)c1cc(C(=O)Cl)cs1 Amb16230131 [0,2,0,0,0,0|1,0,0]=3 6141 B11R1.175 CC(C)c1cc(C(=O)O)cs1 Amb6357051 [0,2,0,0,0,0|0,0,0]=2 6142 B11R1.175 CC(C)c1cc(C(=O)O)no1 Amb6336160 [0,2,0,0,0,0|1,1,0]=4 6143 B11R1.175 CC(C)c1cc(C(=O)O)on1 Amb6353910 [0,2,0,0,0,0|2,0,0]=4 6144 B11R1.175 CC(C)c1cc(C(=O)O)sn1 Amb18670424 [0,2,0,0,0,0|2,0,0]=4 6145 B11R1.175 CC(C)c1ccc(C(=O)O)o1 Amb18125683 [0,2,0,0,0,0|2,0,0]=4 6146 B11R1.175 CC(C)c1ccc(C(=O)O)s1 Amb6889538 [0,2,0,0,0,0|2,0,0]=4 6147 B11R1.175 CC(C)c1nc(C(=O)O)co1 Amb33529846 [0,2,0,0,0,0|1,1,0]=4 6148 B11R1.175 CC(C)c1nc(C(=O)O)cs1 Amb33528752 [0,2,0,0,0,0|1,0,0]=3 6149 B11R1.175 CC(C)c1ncc(C(=O)O)o1 Amb17399992 [0,2,0,0,0,0|2,0,0]=4 6150 B11R1.175 CC(C)c1ncc(C(=O)O)s1 Amb8846600 [0,2,0,0,0,0|2,0,0]=4 6151 B11R1.175 CC(C)n1cc(C(=O)O)cn1 Amb2582755 [0,2,0,0,0,0|2,0,0]=4 6152 B11R1.175 CC(C)n1ccc(C(=O)O)c1 Amb23385226 [0,2,0,0,0,0|2,0,0]=4 6153 B11R1.175 CC(Cl)c1nc(C(=O)O)co1 Amb32664632 [0,2,0,0,0,0|1,1,0]=4 6154 B11R1.175 CC(N)c1ccc(C(=O)O)o1 Amb1080131 [0,2,0,0,0,0|2,0,0]=4 6155 B11R1.175 CC(N)c1ccc(C(=O)O)o1 Amb21955254 [0,2,0,0,0,0|2,0,0]=4 6156 B11R1.175 CC(N)c1ccc(C(=O)O)s1 Amb19648771 [0,2,0,0,0,0|2,0,0]=4 6157 B11R1.175 CC(N)c1nc(C(=O)O)cs1 Amb18015609 [0,2,0,0,0,0|1,0,0]=3 6158 B11R1.175 CC(N)c1nc(C(=O)O)cs1 Amb5754059 [0,2,0,0,0,0|1,0,0]=3 6159 B11R1.175 CC(N)c1nc(C(N)=O)cs1 Amb27160545 [0,2,0,0,0,0|2,0,0]=4 6160 B11R1.175 CC(N)c1ncc(C(=O)O)o1 Amb27659450 [0,2,0,0,0,0|2,0,0]=4 6161 B11R1.175 CC(N)c1ncc(C(=O)O)s1 Amb18825362 [0,2,0,0,0,0|2,0,0]=4 6162 B11R1.175 CC(N)c1ncc(C(=O)O)s1 Amb24178919 [0,2,0,0,0,0|2,0,0]=4 6163 B11R1.175 CC(O)c1ccc(C(=O)O)o1 Amb25875475 [0,2,0,0,0,0|2,0,0]=4 6164 B11R1.175 CC(O)c1ncc(C(=O)O)s1 Amb26926409 [0,2,0,0,0,0|2,0,0]=4 6165 B11R1.175 CC(S)c1ccc(C(=O)O)o1 Amb27754844 [0,2,0,0,0,0|2,0,0]=4 6166 B11R1.175 CC(S)c1ncc(C(=O)O)s1 Amb32788009 [0,2,0,0,0,0|2,0,0]=4 6167 B11R1.175 CN(C)c1cc(C(=O)O)on1 Amb27839952 [0,2,0,0,0,0|2,0,0]=4 6168 B11R1.175 CN(C)c1ccc(C(=O)O)s1 Amb9788272 [0,2,0,0,0,0|2,0,0]=4 6169 B11R1.175 CN(C)c1nc(C(=O)O)cs1 Amb26942288 [0,2,0,0,0,0|1,0,0]=3 6170 B11R1.175 CN(C)c1nc(C(N)=O)cs1 Amb32671218 [0,2,0,0,0,0|2,0,0]=4 6171 B11R1.175 CN(C)c1ncc(C(=O)O)o1 Amb18200283 [0,2,0,0,0,0|2,0,0]=4 6172 B11R1.175 CN(C)c1ncc(C(=O)O)s1 Amb18964199 [0,2,0,0,0,0|2,0,0]=4 6173 B11R1.175 C[C@@H](N)c1ccc(C(=O)O)o1 Amb27494013 [0,2,0,0,0,0|2,0,0]=4 6174 B11R1.175 C[C@@H](N)c1nc(C(=O)O)cs1 Amb27392415 [0,2,0,0,0,0|1,0,0]=3 6175 B11R1.175 C[C@H](N)c1csc(C(=O)O)c1 Amb27760107 [0,2,0,0,0,0|2,0,0]=4 6176 B11R1.175 C[C@H](N)c1nc(C(=O)O)cs1 Amb27945439 [0,2,0,0,0,0|1,0,0]=3 6177 B11R1.175 C[C@H](N)c1nc(C(=O)O)cs1 Amb32665086 [0,2,0,0,0,0|1,0,0]=3 6178 B11R1.175 C[C@H](N)c1ncc(C(=O)O)o1 Amb28239506 [0,2,0,0,0,0|2,0,0]=4 6179 B11R1.175 C[C@H](O)c1nc(C(=O)O)cs1 Amb27831357 [0,2,0,0,0,0|1,0,0]=3 6180 B11R1.175 N=C(N)c1csc(C(F)F)c1 Amb33494003 [0,2,0,0,0,0|2,0,0]=4 6181 B11R1.175 NC(=O)c1cc(C(=O)O)co1 Amb27841831 [0,2,0,0,0,0|0,1,1]=4 6182 B11R1.175 NC(=O)c1coc(C(F)F)c1 Amb24375468 [0,2,0,0,0,0|1,1,0]=4 6183 B11R1.175 NC(=O)c1csc(C(=O)O)c1 Amb10610105 [0,2,0,0,0,0|1,0,1]=4 6184 B11R1.175 NC(=O)c1csc([N+](=O)[O-])c1 Amb27881597 [0,2,0,0,0,0|2,0,0]=4 6185 B11R1.175 NC(=O)c1nc(C(=O)O)cs1 Amb27474240 [0,2,0,0,0,0|1,0,1]=4 6186 B11R1.175 O=C(Cl)c1csc([N+](=O)[O-])c1 Amb27471936 [0,2,0,0,0,0|2,0,0]=4 6187 B11R1.175 O=C(O)C1=CCC(C(=O)O)=C1 Amb27173642 [0,2,0,0,0,0|1,0,1]=4 6188 B11R1.175 O=C(O)c1cc(C(F)F)co1 Amb33729739 [0,2,0,0,0,0|2,0,0]=4 6189 B11R1.175 O=C(O)c1cc(C(F)F)cs1 Amb33738502 [0,2,0,0,0,0|2,0,0]=4 6190 B11R1.175 O=C(O)c1cc(C(F)F)no1 Amb26038527 [0,2,0,0,0,0|2,0,0]=4 6191 B11R1.175 O=C(O)c1cc(C(F)F)on1 Amb27259387 [0,2,0,0,0,0|1,1,0]=4 6192 B11R1.175 O=C(O)c1cc([N+](=O)[O-])sn1 Amb20241475 [0,2,0,0,0,0|2,0,0]=4 6193 B11R1.175 O=C(O)c1ccc(C(F)F)o1 Amb27823126 [0,2,0,0,0,0|2,0,0]=4 6194 B11R1.175 O=C(O)c1ccc(C(F)F)s1 Amb26495612 [0,2,0,0,0,0|2,0,0]=4 6195 B11R1.175 O=C(O)c1cnc(C(F)F)s1 Amb26638069 [0,2,0,0,0,0|2,0,0]=4 6196 B11R1.175 O=C(O)c1cnn(C(F)F)c1 Amb18287964 [0,2,0,0,0,0|2,0,0]=4 6197 B11R1.175 O=C(O)c1coc(B(O)O)c1 Amb25793563 [0,2,0,0,0,0|1,1,0]=4 6198 B11R1.175 O=C(O)c1coc(C(=O)O)c1 Amb4010052 [0,2,0,0,0,0|0,1,1]=4 6199 B11R1.175 O=C(O)c1coc(C(F)F)c1 Amb23589829 [0,2,0,0,0,0|0,1,0]=3 6200 B11R1.175 O=C(O)c1coc(C(F)F)n1 Amb25178266 [0,2,0,0,0,0|1,1,0]=4 6201 B11R1.175 O=C(O)c1coc(N(=O)=O)c1 Amb20621823 [0,2,0,0,0,0|1,1,0]=4 6202 B11R1.175 O=C(O)c1csc(B(O)O)c1 Amb27636006 [0,2,0,0,0,0|1,0,0]=3 6203 B11R1.175 O=C(O)c1csc(B(O)O)n1 Amb28187292 [0,2,0,0,0,0|2,0,0]=4 6204 B11R1.175 O=C(O)c1csc(C(=O)O)c1 Amb13952464 [0,2,0,0,0,0|0,0,1]=3 6205 B11R1.175 O=C(O)c1csc(C(F)F)c1 Amb25893279 [0,2,0,0,0,0|0,0,0]=2 6206 B11R1.175 O=C(O)c1csc(C(F)F)n1 Amb28251381 [0,2,0,0,0,0|1,0,0]=3 6207 B11R1.175 O=C(O)c1csc(N(=O)=O)c1 Amb20621937 [0,2,0,0,0,0|1,0,0]=3 6208 B11R1.175 O=C(O)c1csc([N+](=O)[O-])c1 Amb2724248 [0,2,0,0,0,0|1,0,0]=3 6209 B11R1.175 O=C(O)c1csc([N+](=O)[O-])n1 Amb27438663 [0,2,0,0,0,0|2,0,0]=4 6210 B11R1.175 O=C([O-])c1csc(S(=O)[O-])c1 Amb32753940 [0,2,0,0,0,0|1,0,1]=4 6211 B11R1.175 O=C([O-])c1csc([N+](=O)[O-])c1 Amb33513101 [0,2,0,0,0,0|1,0,1]=4 6212 B11R1.175 OB(O)c1csc(C(F)F)c1 Amb26980389 [0,2,0,0,0,0|1,0,1]=4 6213 B11R1.473 CCc1ccc(C(=O)O)n1C Amb23153662 [0,2,0,0,0,0|2,0,0]=4 6214 B11R1.473 CCc1ncc(C(=O)O)n1C Amb27590604 [0,2,0,0,0,0|2,0,0]=4 6215 B11R1.473 CCc1noc(C(=O)O)c1C Amb24387038 [0,2,0,0,0,0|2,0,0]=4 6216 B11R1.473 CCc1onc(C(=O)O)c1C Amb9173508 [0,2,0,0,0,0|1,1,0]=4 6217 B11R1.473 CCc1scc(C(=O)O)c1Br Amb18135820 [0,2,0,0,0,0|0,0,0]=2 6218 B11R1.473 CCn1ccc(C(=O)O)c1C Amb25801874 [0,2,0,0,0,0|2,0,0]=4 6219 B11R1.473 CCn1ncc(C(=O)O)c1Br Amb25922909 [0,2,0,0,0,0|2,0,0]=4 6220 B11R1.473 CCn1ncc(C(=O)O)c1C Amb1934830 [0,2,0,0,0,0|2,0,0]=4 6221 B11R1.473 CCn1ncc(C(=O)O)c1Cl Amb25189155 [0,2,0,0,0,0|2,0,0]=4 6222 B11R1.473 CCn1ncc(C(=O)O)c1F Amb22008949 [0,2,0,0,0,0|2,0,0]=4 6223 B11R1.473 CCn1ncc(C(=O)O)c1I Amb27652015 [0,2,0,0,0,0|2,0,0]=4 6224 B11R1.473 CCn1ncc(C(=O)O)c1N Amb24073960 [0,2,0,0,0,0|2,0,0]=4 6225 B11R1.473 CCn1ncc(C(=O)O)c1S Amb24760138 [0,2,0,0,0,0|2,0,0]=4 6226 B11R1.473 COc1ncc(C(=O)O)n1C Amb18148273 [0,2,0,0,0,0|2,0,0]=4 6227 B11R1.473 COc1nsc(C(=O)O)c1Br Amb32687463 [0,2,0,0,0,0|2,0,0]=4 6228 B11R1.473 CSc1ccc(C(=O)O)n1C Amb18198599 [0,2,0,0,0,0|2,0,0]=4 6229 B11R1.473 CSc1onc(C(=O)O)c1C Amb26548767 [0,2,0,0,0,0|1,1,0]=4 6230 B11R1.473 CSc1snc(C(=O)O)c1N Amb18190975 [0,2,0,0,0,0|1,0,0]=3 6231 B11R1.473 NCc1onc(C(=O)O)c1Cl Amb27642671 [0,2,0,0,0,0|1,1,0]=4 6232 B11R1.316 Cc1scc(S(=O)(=O)Cl)c1Br Amb27835229 [0,2,0,0,0,0|1,0,1]=4 6233 B11R1.646 Cc1cc(C(C)(C)O)c(C)s1 Amb33266353 [0,2,0,0,0,0|1,0,1]=4 6234 B11R1.646 Cc1cc(S(=O)(=O)Br)c(C)s1 Amb27765007 [0,2,0,0,0,0|1,0,1]=4 6235 B11R1.646 Cc1cc(S(=O)(=O)Cl)c(C)s1 Amb1107511 [0,2,0,0,0,0|1,0,1]=4 6236 B11R1.646 Cc1cc(S(=O)(=O)F)c(C)s1 Amb32716636 [0,2,0,0,0,0|1,0,1]=4 6237 B11R1.646 Cc1cc(S(=O)(=O)F)c(N)s1 Amb33078472 [0,2,0,0,0,0|1,0,1]=4 6238 B11R1.646 Cc1cc(S(=O)(=O)[O-])c(C)s1 Amb4013349 [0,2,0,0,0,0|1,0,1]=4 6239 B11R1.646 Cc1cc(S(N)(=O)=O)c(C)s1 Amb1134944 [0,2,0,0,0,0|1,0,1]=4 6240 B11R1.646 Cc1cc(S(N)(=O)=O)c(N)s1 Amb32947135 [0,2,0,0,0,0|1,0,1]=4 6241 B11R1.672 CC(=O)c1cc(C)n(C)c1C Amb18243518 [0,2,0,0,0,0|2,0,0]=4 6242 B11R1.672 CC(=O)c1cc(C)n(C)c1O Amb25707916 [0,2,0,0,0,0|2,0,0]=4 6243 B11R1.672 CC(=O)c1cc(C)n(O)c1C Amb24486175 [0,2,0,0,0,0|2,0,0]=4 6244 B11R1.672 CC(=O)c1cn(C)c(C)c1C Amb26585087 [0,2,0,0,0,0|2,0,0]=4 6245 B11R1.672 CC1=C(C)C(C)=C(C(=O)O)C1 Amb27628847 [0,2,0,0,0,0|1,0,1]=4 6246 B11R1.672 Cc1c(Br)c(C(=O)O)nn1C Amb1948851 [0,2,0,0,0,0|2,0,0]=4 6247 B11R1.672 Cc1c(Br)sc(C(=O)O)c1Br Amb22755261 [0,2,0,0,0,0|2,0,0]=4 6248 B11R1.672 Cc1c(C(=O)O)cn(C)c1C Amb17593827 [0,2,0,0,0,0|1,0,0]=3 6249 B11R1.672 Cc1c(C(=O)O)nn(C)c1C Amb27433390 [0,2,0,0,0,0|2,0,0]=4 6250 B11R1.672 Cc1c(Cl)c(C(=O)O)nn1C Amb1948831 [0,2,0,0,0,0|2,0,0]=4 6251 B11R1.672 Cc1c(I)c(C(=O)O)nn1C Amb23580457 [0,2,0,0,0,0|2,0,0]=4 6252 B11R1.672 Cc1c(N)c(C(=O)O)nn1C Amb22280385 [0,2,0,0,0,0|2,0,0]=4 6253 B11R1.672 Cc1c(N)c(C(=O)O)nn1C Amb6889566 [0,2,0,0,0,0|2,0,0]=4 6254 B11R1.672 Cc1c(O)c(C(=O)O)nn1C Amb18200272 [0,2,0,0,0,0|2,0,0]=4 6255 B11R1.672 Cc1cc(C(=O)Cl)c(C)n1C Amb24484486 [0,2,0,0,0,0|2,0,0]=4 6256 B11R1.672 Cc1cc(C(=O)O)c(C)n1C Amb1147560 [0,2,0,0,0,0|1,0,0]=3 6257 B11R1.672 Cc1cc(C(=O)O)c(N)n1C Amb27642870 [0,2,0,0,0,0|1,0,0]=3 6258 B11R1.672 Cc1cc(C(=O)O)n(C)c1C Amb25152832 [0,2,0,0,0,0|2,0,0]=4 6259 B11R1.672 Cc1cc(C(N)=O)c(C)n1C Amb18243504 [0,2,0,0,0,0|2,0,0]=4 6260 B11R1.672 Cc1nc(C(=O)O)c(C)n1C Amb28198963 [0,2,0,0,0,0|2,0,0]=4 6261 B11R1.672 Cc1nc(C(=O)O)c(N)n1C Amb18200487 [0,2,0,0,0,0|2,0,0]=4 6262 B11R1.672 Cc1oc(C(=O)O)c(C)c1Br Amb22371882 [0,2,0,0,0,0|2,0,0]=4 6263 B11R1.672 Cc1oc(C(=O)O)c(C)c1C Amb22926543 [0,2,0,0,0,0|2,0,0]=4 6264 B11R1.672 Cc1oc(C(=O)O)c(Cl)c1Cl Amb18130042 [0,2,0,0,0,0|2,0,0]=4 6265 B11R1.672 Cc1sc(C(=O)O)c(Br)c1Br Amb22755252 [0,2,0,0,0,0|2,0,0]=4 6266 B11R1.672 Cc1sc(C(=O)O)c(Br)c1C Amb22755116 [0,2,0,0,0,0|2,0,0]=4 6267 B11R1.672 Cc1sc(C(=O)O)c(C)c1C Amb27592107 [0,2,0,0,0,0|2,0,0]=4 6268 B11R1.672 Cc1sc(C(=O)O)c(C)c1N Amb23443866 [0,2,0,0,0,0|2,0,0]=4 6269 B11R1.672 Cc1sc(C(=O)O)c(N)c1C Amb22749336 [0,2,0,0,0,0|2,0,0]=4 6270 B11R1.49 CCc1cc(C)sc1C(=O)O Amb27454387 [0,2,0,0,0,0|2,0,0]=4 6271 B11R1.49 CCc1nc(C)sc1C(=O)O Amb23568896 [0,2,0,0,0,0|2,0,0]=4 6272 B11R1.49 CCc1nn(C)cc1C(=O)O Amb18563456 [0,2,0,0,0,0|2,0,0]=4 6273 B11R1.49 CCc1oc(C)cc1C(=O)O Amb31156320 [0,2,0,0,0,0|0,1,0]=3 6274 B11R1.49 CCc1sc(Br)nc1C(=O)O Amb23596282 [0,2,0,0,0,0|2,0,0]=4 6275 B11R1.49 CCc1sc(C)nc1C(=O)O Amb18126799 [0,2,0,0,0,0|1,0,0]=3 6276 B11R1.49 CCc1sc(Cl)nc1C(=O)O Amb23596280 [0,2,0,0,0,0|2,0,0]=4 6277 B11R1.49 CCc1sc(F)nc1C(=O)O Amb27238029 [0,2,0,0,0,0|2,0,0]=4 6278 B11R1.49 CCc1sc(N)nc1C(=O)O Amb23555843 [0,2,0,0,0,0|2,0,0]=4 6279 B11R1.49 CCn1nc(C)cc1C(=O)O Amb535351 [0,2,0,0,0,0|2,0,0]=4 6280 B11R1.49 COc1cc(C)sc1C(=O)O Amb15701582 [0,2,0,0,0,0|2,0,0]=4 6281 B11R1.49 COc1nc(C)sc1C(=O)O Amb23590715 [0,2,0,0,0,0|2,0,0]=4 6282 B11R1.49 COc1nn(C)cc1C(=O)O Amb10064306 [0,2,0,0,0,0|2,0,0]=4 6283 B11R1.49 COc1sc(C)cc1C(=O)O Amb27823306 [0,2,0,0,0,0|0,0,0]=2 6284 B11R1.49 COc1sc(C)nc1S(=O)O Amb32992488 [0,2,0,0,0,0|2,0,0]=4 6285 B11R1.49 CSc1nn(C)cc1C(=O)O Amb26566102 [0,2,0,0,0,0|2,0,0]=4 6286 B11R1.49 CSc1sc(C)cc1C(=O)O Amb27650568 [0,2,0,0,0,0|0,0,0]=2 6287 B11R1.49 CSc1sc(N)cc1C(=O)O Amb18819999 [0,2,0,0,0,0|1,0,0]=3 6288 B11R1.49 Cc1cc(B(O)O)c(C=O)s1 Amb27823109 [0,2,0,0,0,0|1,0,1]=4 6289 B11R1.49 Cc1cc(C(=O)O)c(C=O)s1 Amb33249735 [0,2,0,0,0,0|0,0,0]=2 6290 B11R1.49 Cc1nc(C(=O)O)c(C#N)s1 Amb27256910 [0,2,0,0,0,0|1,0,0]=3 6291 B11R1.49 Cc1nc(C=O)c(C(=O)O)o1 Amb33069600 [0,2,0,0,0,0|2,0,0]=4 6292 B11R1.49 Cc1nc(C=O)c(C(=O)O)s1 Amb33072946 [0,2,0,0,0,0|2,0,0]=4 6293 B11R1.49 Cn1cc(C(=O)O)c(C=O)n1 Amb26888802 [0,2,0,0,0,0|2,0,0]=4 6294 B11R1.49 Cn1cc(C(=O)O)c(CN)n1 Amb32665448 [0,2,0,0,0,0|2,0,0]=4 6295 B11R1.49 Cn1cc(C(=O)O)c(CO)n1 Amb31207882 [0,2,0,0,0,0|2,0,0]=4 6296 B11R1.49 Cn1cc(C=O)c(C(=O)O)c1 Amb27265874 [0,2,0,0,0,0|2,0,0]=4 6297 B11R1.49 O=Cc1oc(Br)cc1C(=O)O Amb24418426 [0,2,0,0,0,0|1,1,0]=4 6298 B11R1.49 O=Cc1sc(Br)cc1C(=O)O Amb32660581 [0,2,0,0,0,0|1,0,0]=3 6299 B11R1.49 O=Cc1sc(Cl)cc1C(=O)O Amb33309650 [0,2,0,0,0,0|1,0,0]=3 6300 B11R1.49 O=Cc1sc(I)cc1C(=O)O Amb33309672 [0,2,0,0,0,0|1,0,0]=3 6301 B11R1.673 CC(=O)C1=C(O)C(C)=CC1=O Amb24686441 [0,2,0,0,0,0|2,0,0]=4 6302 B11R1.673 CC(=O)C1=C(O)C=C(C)C1=O Amb27261981 [0,2,0,0,0,0|2,0,0]=4 6303 B11R1.673 CC(=O)c1c(C)oc(C)c1C Amb24657270 [0,2,0,0,0,0|1,1,0]=4 6304 B11R1.673 CC(=O)c1c(C)sc(Br)c1N Amb18158872 [0,2,0,0,0,0|2,0,0]=4 6305 B11R1.673 CC(=O)c1c(C)sc(C)c1Br Amb27209770 [0,2,0,0,0,0|1,0,0]=3 6306 B11R1.673 CC1=C(C(=O)O)C(=N)ON1C Amb27666947 [0,2,0,0,0,0|1,1,0]=4 6307 B11R1.673 CC1=C(C(=O)O)C(=O)ON1C Amb18562450 [0,2,0,0,0,0|1,1,0]=4 6308 B11R1.673 CC1=C(C)\C(=C(/C)N)C(=O)S1 Amb27435437 [0,2,0,0,0,0|2,0,0]=4 6309 B11R1.673 CC1=NC(C)=C(C)\C1=C(/C)O Amb27249449 [0,2,0,0,0,0|2,0,0]=4 6310 B11R1.673 Cc1c(C(=O)O)c(Br)nn1C Amb25884216 [0,2,0,0,0,0|2,0,0]=4 6311 B11R1.673 Cc1c(C(=O)O)c(Cl)nn1C Amb27634798 [0,2,0,0,0,0|2,0,0]=4 6312 B11R1.673 Cc1c(C(=O)O)c(F)cn1C Amb28051633 [0,2,0,0,0,0|2,0,0]=4 6313 B11R1.673 Cc1c(C(=O)O)c(I)nn1C Amb31208210 [0,2,0,0,0,0|2,0,0]=4 6314 B11R1.673 Cc1cc(C)n(C)c1C(=O)O Amb18201110 [0,2,0,0,0,0|2,0,0]=4 6315 B11R1.673 Cc1cc(O)c(C(=O)O)n1C Amb18200542 [0,2,0,0,0,0|2,0,0]=4 6316 B11R1.673 Cc1cn(C)c(C(=O)O)c1C Amb23440867 [0,2,0,0,0,0|2,0,0]=4 6317 B11R1.673 Cc1cn(C)c(C)c1C(=O)O Amb18125557 [0,2,0,0,0,0|2,0,0]=4 6318 B11R1.673 Cc1cn(C)c(N)c1C(=O)O Amb27193855 [0,2,0,0,0,0|2,0,0]=4 6319 B11R1.673 Cc1nc(C)n(C)c1C(=O)O Amb18562818 [0,2,0,0,0,0|2,0,0]=4 6320 B11R1.673 Cc1nc(N)c(C(=O)O)n1C Amb18200513 [0,2,0,0,0,0|2,0,0]=4 6321 B11R1.673 Cc1nn(C)c(Br)c1C(=O)O Amb18162130 [0,2,0,0,0,0|2,0,0]=4 6322 B11R1.673 Cc1nn(C)c(C(=O)O)c1Br Amb1948828 [0,2,0,0,0,0|2,0,0]=4 6323 B11R1.673 Cc1nn(C)c(C(=O)O)c1C Amb28250232 [0,2,0,0,0,0|2,0,0]=4 6324 B11R1.673 Cc1nn(C)c(C(=O)O)c1Cl Amb1948822 [0,2,0,0,0,0|2,0,0]=4 6325 B11R1.673 Cc1nn(C)c(C(=O)O)c1F Amb26046343 [0,2,0,0,0,0|2,0,0]=4 6326 B11R1.673 Cc1nn(C)c(C(=O)O)c1I Amb23580440 [0,2,0,0,0,0|2,0,0]=4 6327 B11R1.673 Cc1nn(C)c(C(=O)O)c1N Amb20671598 [0,2,0,0,0,0|2,0,0]=4 6328 B11R1.673 Cc1nn(C)c(C(=O)O)c1O Amb18200249 [0,2,0,0,0,0|2,0,0]=4 6329 B11R1.673 Cc1nn(C)c(C)c1C(=O)O Amb1158670 [0,2,0,0,0,0|2,0,0]=4 6330 B11R1.673 Cc1nn(C)c(Cl)c1C(=O)O Amb1159147 [0,2,0,0,0,0|2,0,0]=4 6331 B11R1.673 Cc1nn(C)c(F)c1C(=O)O Amb22008946 [0,2,0,0,0,0|2,0,0]=4 6332 B11R1.673 Cc1nn(C)c(N)c1C(=O)O Amb25078553 [0,2,0,0,0,0|2,0,0]=4 6333 B11R1.673 Cc1oc(Br)c(C)c1C(=O)O Amb24640287 [0,2,0,0,0,0|1,1,0]=4 6334 B11R1.673 Cc1oc(Br)c(N)c1C(=O)O Amb28246231 [0,2,0,0,0,0|1,1,0]=4 6335 B11R1.673 Cc1oc(C)c(C(=O)O)c1Br Amb1109622 [0,2,0,0,0,0|0,1,0]=3 6336 B11R1.673 Cc1oc(C)c(C(=O)O)c1C Amb449038 [0,2,0,0,0,0|0,1,0]=3 6337 B11R1.673 Cc1oc(C)c(C(=O)O)c1I Amb25686088 [0,2,0,0,0,0|0,1,0]=3 6338 B11R1.673 Cc1oc(C)c(C(=O)O)c1S Amb26039371 [0,2,0,0,0,0|0,1,0]=3 6339 B11R1.673 Cc1oc(N)c(C(=O)O)c1C Amb26067098 [0,2,0,0,0,0|0,1,0]=3 6340 B11R1.673 Cc1sc(Br)c(C(=O)O)c1C Amb23590743 [0,2,0,0,0,0|0,0,0]=2 6341 B11R1.673 Cc1sc(Br)c(C(N)=O)c1C Amb27982719 [0,2,0,0,0,0|1,0,0]=3 6342 B11R1.673 Cc1sc(Br)c(C)c1C(=O)O Amb28061370 [0,2,0,0,0,0|1,0,0]=3 6343 B11R1.673 Cc1sc(C)c(B(O)O)c1Br Amb32698033 [0,2,0,0,0,0|1,0,1]=4 6344 B11R1.673 Cc1sc(C)c(B(O)O)c1C Amb27780595 [0,2,0,0,0,0|1,0,1]=4 6345 B11R1.673 Cc1sc(C)c(C(=O)O)c1Br Amb25890843 [0,2,0,0,0,0|0,0,0]=2 6346 B11R1.673 Cc1sc(C)c(C(=O)O)c1I Amb8439410 [0,2,0,0,0,0|0,0,0]=2 6347 B11R1.673 Cc1sc(C)c(S(=O)[O-])c1C Amb32755746 [0,2,0,0,0,0|1,0,1]=4 6348 B11R1.673 Cc1sc(Cl)c(C(=O)O)c1C Amb25891447 [0,2,0,0,0,0|0,0,0]=2 6349 B11R1.673 Cc1sc(Cl)c(O)c1C(=O)O Amb27962594 [0,2,0,0,0,0|1,0,0]=3 6350 B11R1.673 Cc1sc(F)c(C(=O)O)c1C Amb27482970 [0,2,0,0,0,0|0,0,0]=2 6351 B11R1.673 Cc1sc(I)c(C(=O)O)c1C Amb24399299 [0,2,0,0,0,0|0,0,0]=2 6352 B11R1.673 Cc1sc(N)c(C(=O)O)c1C Amb3466086 [0,2,0,0,0,0|0,0,0]=2 6353 B11R1.673 Cc1sc(N)c(C(N)=O)c1C Amb6334828 [0,2,0,0,0,0|1,0,0]=3 6354 B11R1.673 Cn1nc(Br)c(C(=O)O)c1Cl Amb28323663 [0,2,0,0,0,0|2,0,0]=4 6355 B11R1.673 Cn1nc(Cl)c(C(=O)O)c1Cl Amb25941376 [0,2,0,0,0,0|2,0,0]=4 6356 B11R1.673 Cn1nc(N)c(C(=O)O)c1Br Amb26391319 [0,2,0,0,0,0|2,0,0]=4 6357 B11R1.673 Cn1nc(N)c(C(=O)O)c1N Amb26381691 [0,2,0,0,0,0|2,0,0]=4 6358 B11R1.64 C=Cc1c(C)csc1C(=O)O Amb32682070 [0,2,0,0,0,0|2,0,0]=4 6359 B11R1.64 CCc1c(C(=O)Cl)csc1C Amb16230127 [0,2,0,0,0,0|1,0,0]=3 6360 B11R1.64 CCc1c(C(=O)O)ccn1C Amb26014628 [0,2,0,0,0,0|2,0,0]=4 6361 B11R1.64 CCc1c(C(=O)O)cnn1C Amb19275081 [0,2,0,0,0,0|2,0,0]=4 6362 B11R1.64 CCc1c(C(=O)O)cnn1C Amb6647203 [0,2,0,0,0,0|2,0,0]=4 6363 B11R1.64 CCc1c(C(=O)O)csc1C Amb2154726 [0,2,0,0,0,0|0,0,0]=2 6364 B11R1.64 CCc1c(C(=O)O)noc1C Amb27456418 [0,2,0,0,0,0|1,1,0]=4 6365 B11R1.64 CCc1c(C)csc1C(=O)O Amb18198908 [0,2,0,0,0,0|2,0,0]=4 6366 B11R1.64 CNc1c(C(=O)O)noc1C Amb26639190 [0,2,0,0,0,0|1,1,0]=4 6367 B11R1.64 COc1c(C(=O)Cl)csc1Cl Amb2724392 [0,2,0,0,0,0|2,0,0]=4 6368 B11R1.64 COc1c(C(=O)O)cnn1C Amb23580132 [0,2,0,0,0,0|2,0,0]=4 6369 B11R1.64 COc1c(C(=O)O)csc1Br Amb2724393 [0,2,0,0,0,0|1,0,0]=3 6370 B11R1.64 COc1c(C(=O)O)csc1Cl Amb2724391 [0,2,0,0,0,0|1,0,0]=3 6371 B11R1.64 COc1c(C)csc1C(=O)O Amb9768652 [0,2,0,0,0,0|2,0,0]=4 6372 B11R1.64 CSc1c(C(=O)O)cnn1C Amb27488308 [0,2,0,0,0,0|2,0,0]=4 6373 B11R1.64 Cc1csc(C(=O)O)c1C#N Amb27806889 [0,2,0,0,0,0|2,0,0]=4 6374 B11R1.64 Cc1csc(C(=O)O)c1CO Amb24732079 [0,2,0,0,0,0|2,0,0]=4 6375 B11R1.64 Cc1noc(C(=O)O)c1C=O Amb27243957 [0,2,0,0,0,0|2,0,0]=4 6376 B11R1.64 Cc1onc(C(=O)O)c1CO Amb15701289 [0,2,0,0,0,0|1,1,0]=4 6377 B11R1.64 Cn1ncc(C(=O)O)c1C#N Amb24429004 [0,2,0,0,0,0|2,0,0]=4 6378 B11R1.64 Cn1ncc(C(=O)O)c1C=O Amb18200858 [0,2,0,0,0,0|2,0,0]=4 6379 B11R1.64 Cn1ncc(C(=O)O)c1CF Amb33358223 [0,2,0,0,0,0|2,0,0]=4 6380 B11R1.64 Cn1ncc(C(=O)O)c1CN Amb18200492 [0,2,0,0,0,0|2,0,0]=4 6381 B11R1.64 Cn1ncc(C(=O)O)c1CN Amb28652980 [0,2,0,0,0,0|2,0,0]=4 6382 B11R1.64 Cn1ncc(C(=O)O)c1CO Amb24488198 [0,2,0,0,0,0|2,0,0]=4 6383 B9R1.6 O=C(O)C1=CCCSC1 Amb19515066 [0,0,1,1,0,0|0,0,2]=4 6384 B9R1.6 O=C(O)C1=CCOC=C1 Amb27860440 [0,0,1,1,0,0|2,0,0]=4 6385 B9R1.6 O=C(O)C1=CSCCO1 Amb20455323 [0,0,1,1,0,0|1,0,1]=4 6386 B9R1.6 O=C(O)c1ccccc1 Amb1935196 [0,0,1,1,0,0|1,0,1]=4 6387 B9R1.6 O=C(O)c1ccccc1 Amb22002523 [0,0,1,1,0,0|1,0,1]=4 6388 B9R1.6 O=C(O)c1ccccc1 Amb22336602 [0,0,1,1,0,0|1,0,1]=4 6389 B9R1.6 O=C(O)c1ccccc1 Amb22351742 [0,0,1,1,0,0|1,0,1]=4 6390 B9R1.6 O=C(O)c1cccnc1 Amb1195995 [0,0,1,1,0,0|1,0,1]=4 6391 B9R1.6 O=C(O)c1cncnc1 Amb24099331 [0,0,1,1,0,0|2,0,0]=4 6392 B9R1.6 O=C(O)c1cncnc1 Amb33527289 [0,0,1,1,0,0|2,0,0]=4 6393 B9R1.69 CC1=CC=C(N)C(=O)O1 Amb28399466 [0,0,1,1,0,0|2,0,0]=4 6394 B9R1.15 O=C1CCC=C\C1=C\O Amb25298436 [0,0,1,1,0,0|1,1,0]=4 6395 B9R1.33 C\C=C\C1=CCCC1=O Amb26002515 [0,0,1,1,0,0|2,0,0]=4 6396 B9R2.2 c1cc(C2CO2)cs1 Amb26515734 [1,0,0,1,0,0|1,0,1]=4 6397 B9R2.2 c1cc([C@@H]2CO2)cs1 Amb27410328 [1,0,0,1,0,0|1,0,1]=4 6398 B9R2.2 c1cc([C@H]2CO2)cs1 Amb27648615 [1,0,0,1,0,0|1,0,1]=4 6399 B11R2.363 Cc1ccc2c(c1)CC2=O Amb17843959 [0,0,0,1,0,1|2,0,0]=4 6400 B11R2.363 Cc1ccc2c(n1)NC2=O Amb28120096 [0,0,0,1,0,1|2,0,0]=4 6401 B11R2.66 O=C1Nc2csc(Br)c2N1 Amb27642910 [0,0,0,1,0,1|2,0,0]=4 6402 B11R2.139 Cc1cc2sc(N)cc2s1 Amb33495672 [0,0,0,1,0,1|2,0,0]=4 6403 B11R2.139 Cc1cc2sc(N)nc2s1 Amb20622815 [0,0,0,1,0,1|2,0,0]=4 6404 B11R2.139 Nc1cc2c(s1)NC(=O)C2 Amb18831014 [0,0,0,1,0,1|2,0,0]=4 6405 B11R2.139 O=C1C=C2SC(=O)C=C2S1 Amb26053895 [0,0,0,1,0,1|2,0,0]=4 6406 B11R2.139 O=C1Cc2cc(Cl)sc2N1 Amb5719924 [0,0,0,1,0,1|2,0,0]=4 6407 B11R2.139 O=C1Cc2sc(Cl)cc2N1 Amb5719912 [0,0,0,1,0,1|2,0,0]=4 6408 B11R2.104 Cc1cccc2c1CC2=O Amb17843957 [0,0,0,1,0,1|2,0,0]=4 6409 B11R2.117 Cc1ccc2c(c1)C(=O)C2 Amb17843960 [0,0,0,1,0,1|2,0,0]=4 6410 B11R2.117 Cc1cnc2c(c1)C(=O)N2 Amb28074141 [0,0,0,1,0,1|2,0,0]=4 6411 B11R2.60 Cc1csc2c1COC2=O Amb25794641 [0,1,0,1,0,0|2,0,0]=4 6412 B11R2.60 O=C1CCc2c1csc2Br Amb18769999 [0,1,0,1,0,0|2,0,0]=4 6413 B11R2.60 O=C1CNc2c1csc2Br Amb18769404 [0,1,0,1,0,0|2,0,0]=4 6414 B11R2.60 O=C1COc2c1csc2Br Amb18162078 [0,1,0,1,0,0|1,0,0]=3 6415 B11R2.60 O=C1CSc2c1csc2Br Amb18741505 [0,1,0,1,0,0|1,1,0]=4 6416 B11R2.353 Cc1cc(C2(O)CC2)cs1 Amb28201714 [0,1,0,1,0,0|1,0,1]=4 6417 B11R2.356 Cc1cc(C2CO2)c(C)s1 Amb18796790 [0,1,0,1,0,0|1,0,1]=4 6418 B11R2.356 Cc1cc([C@@H]2CO2)c(C)s1 Amb33223849 [0,1,0,1,0,0|1,0,1]=4 6419 B11R2.356 Cc1cc([C@H]2CO2)c(C)s1 Amb33266880 [0,1,0,1,0,0|1,0,1]=4 6420 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,0,1,0,1,0|1,1,0]=4 6421 B7R0.16 C=C(C(=O)O)C(C)C Amb17593189 [0,0,1,0,1,0|1,0,1]=4 6422 B7R0.16 C=C(C(=O)O)C(C)N Amb27794714 [0,0,1,0,1,0|1,0,1]=4 6423 B7R0.16 C=C(C(=O)O)N(C)C Amb27162682 [0,0,1,0,1,0|2,0,0]=4 6424 B7R0.16 C=C(C(=O)O)[C@@H](C)N Amb27440248 [0,0,1,0,1,0|1,0,1]=4 6425 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [0,0,1,0,1,0|0,1,1]=4 6426 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [0,0,1,0,1,0|1,1,0]=4 6427 B7R0.16 C=C(C(C)=O)C(N)=O Amb27814821 [0,0,1,0,1,0|1,1,0]=4 6428 B7R0.16 C=C(C)C(=C)C(=O)O Amb33199524 [0,0,1,0,1,0|1,0,0]=3 6429 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,0,1,0,1,0|1,1,0]=4 6430 B7R0.16 CC(C)=C(Br)C(=O)O Amb17594579 [0,0,1,0,1,0|2,0,0]=4 6431 B7R0.16 CC(C)=C(C)C(=O)O Amb17593186 [0,0,1,0,1,0|1,0,1]=4 6432 B7R0.16 CC(C)=C(Cl)C(=O)O Amb18642954 [0,0,1,0,1,0|2,0,0]=4 6433 B7R0.16 CC(C)=C(F)C(=O)O Amb20669103 [0,0,1,0,1,0|2,0,0]=4 6434 B7R0.16 CC(S)C(=O)C(=O)O Amb28128312 [0,0,1,0,1,0|1,0,1]=4 6435 B7R0.16 C\C(Br)=C(/C)C(=O)O Amb2611697 [0,0,1,0,1,0|1,0,1]=4 6436 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,0,1,0,1,0|1,1,0]=4 6437 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,0,1,0,1,0|1,1,0]=4 6438 B7R1.8 O=CC1=CCC1=O Amb27256480 [1,0,0,0,1,0|2,0,0]=4 6439 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [1,0,0,0,1,0|0,0,2]=4 6440 B7R1.12 CC1=CC1C(=O)O Amb27157805 [0,0,0,0,2,0|0,0,1]=3 6441 B7R1.12 CC1SC1C(=O)O Amb27195238 [0,0,0,0,2,0|0,0,2]=4 6442 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [0,0,0,0,2,0|0,0,2]=4 6443 B9R0.55 C=C(C)C#C\C=C/C(=O)O Amb27630707 [0,0,1,0,0,1|1,0,0]=3 6444 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,1,0,0,1|1,0,0]=3 6445 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [0,0,1,0,0,1|0,1,0]=3 6446 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,1,0,0,1|2,0,0]=4 6447 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,1,0,0,1|2,0,0]=4 6448 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,1,0,0,1|1,1,0]=4 6449 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,0,1,0,0,1|2,0,0]=4 6450 B9R0.55 CC(C)=C\C=C\CC(=O)O Amb27473342 [0,0,1,0,0,1|1,0,1]=4 6451 B9R0.55 CC(C)SC\C=C\C(=O)O Amb19020662 [0,0,1,0,0,1|0,0,2]=4 6452 B9R0.55 CC(N)CS\C=C\C(=O)O Amb27772740 [0,0,1,0,0,1|1,0,1]=4 6453 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,1,0,0,1|2,0,0]=4 6454 B9R1.2 C=Cc1cccc(C)c1 Amb3940473 [1,0,0,0,0,1|2,0,0]=4 6455 B9R1.2 C=Cc1ccnc(C)c1 Amb24340158 [1,0,0,0,0,1|2,0,0]=4 6456 B9R1.2 C=Cc1cncc(C)c1 Amb2695473 [1,0,0,0,0,1|2,0,0]=4 6457 B9R1.2 Cc1cc(C=O)ccn1 Amb16231936 [1,0,0,0,0,1|1,0,0]=3 6458 B9R1.2 Cc1cc(C=O)ccn1 Amb9701813 [1,0,0,0,0,1|1,0,0]=3 6459 B9R1.2 Cc1cc(C=O)cnn1 Amb8010979 [1,0,0,0,0,1|1,0,0]=3 6460 B9R1.2 Cc1cc(C=O)ncn1 Amb33540129 [1,0,0,0,0,1|1,0,0]=3 6461 B9R1.2 Cc1cc(CO)ccn1 Amb10067646 [1,0,0,0,0,1|1,0,1]=4 6462 B9R1.2 Cc1cc(CO)ncn1 Amb22059114 [1,0,0,0,0,1|1,0,1]=4 6463 B9R1.2 Cc1cc(NO)ncn1 Amb27394979 [1,0,0,0,0,1|2,0,0]=4 6464 B9R1.2 Cc1cccc(C=O)c1 Amb2690615 [1,0,0,0,0,1|1,0,0]=3 6465 B9R1.2 Cc1cccc(C=O)n1 Amb2689678 [1,0,0,0,0,1|2,0,0]=4 6466 B9R1.2 Cc1cccc(CO)c1 Amb837250 [1,0,0,0,0,1|1,0,1]=4 6467 B9R1.2 Cc1cccc(N=O)c1 Amb25843313 [1,0,0,0,0,1|2,0,0]=4 6468 B9R1.2 Cc1cccc([IH2]=O)c1 Amb25312202 [1,0,0,0,0,1|2,0,0]=4 6469 B9R1.2 Cc1ccnc(C=O)c1 Amb6307702 [1,0,0,0,0,1|1,0,0]=3 6470 B9R1.2 Cc1ccnc(C=O)n1 Amb8010588 [1,0,0,0,0,1|2,0,0]=4 6471 B9R1.2 Cc1ccnc(CO)c1 Amb22495046 [1,0,0,0,0,1|1,0,1]=4 6472 B9R1.2 Cc1ccnc(CO)c1 Amb8386835 [1,0,0,0,0,1|1,0,1]=4 6473 B9R1.2 Cc1cncc(C=O)c1 Amb8396131 [1,0,0,0,0,1|1,0,0]=3 6474 B9R1.2 Cc1cncc(C=O)n1 Amb8010981 [1,0,0,0,0,1|2,0,0]=4 6475 B9R1.2 Cc1cncc(CO)c1 Amb16231977 [1,0,0,0,0,1|1,0,1]=4 6476 B9R1.2 Cc1cnnc(C=O)c1 Amb8010975 [1,0,0,0,0,1|2,0,0]=4 6477 B9R1.2 Cc1nccc(C=O)n1 Amb8010777 [1,0,0,0,0,1|2,0,0]=4 6478 B9R1.2 Cc1nncc(C=O)n1 Amb18124292 [1,0,0,0,0,1|2,0,0]=4 6479 B9R1.2 Nc1cc(C=O)ccn1 Amb16231973 [1,0,0,0,0,1|2,0,0]=4 6480 B9R1.2 Nc1cccc(C=O)c1 Amb2697309 [1,0,0,0,0,1|2,0,0]=4 6481 B9R1.2 Nc1cccc(C=O)c1 Amb2697312 [1,0,0,0,0,1|2,0,0]=4 6482 B9R1.2 Nc1ccnc(C=O)c1 Amb25072810 [1,0,0,0,0,1|2,0,0]=4 6483 B9R1.2 Nc1cncc(C=O)c1 Amb26600938 [1,0,0,0,0,1|2,0,0]=4 6484 B9R1.2 O=CC1=CC(=O)N=CN1 Amb22396538 [1,0,0,0,0,1|2,0,0]=4 6485 B9R1.2 O=CC1=CC(=O)NN=C1 Amb23400498 [1,0,0,0,0,1|2,0,0]=4 6486 B9R1.2 O=Cc1cc(Br)ccn1 Amb10602645 [1,0,0,0,0,1|2,0,0]=4 6487 B9R1.2 O=Cc1cc(Br)ncn1 Amb26448666 [1,0,0,0,0,1|2,0,0]=4 6488 B9R1.2 O=Cc1cc(Cl)ccn1 Amb6752031 [1,0,0,0,0,1|2,0,0]=4 6489 B9R1.2 O=Cc1cc(Cl)ncn1 Amb20670858 [1,0,0,0,0,1|2,0,0]=4 6490 B9R1.2 O=Cc1cc(F)ccn1 Amb21963126 [1,0,0,0,0,1|2,0,0]=4 6491 B9R1.2 O=Cc1cc(F)ncn1 Amb27844611 [1,0,0,0,0,1|2,0,0]=4 6492 B9R1.2 O=Cc1cc(O)ccn1 Amb30982669 [1,0,0,0,0,1|2,0,0]=4 6493 B9R1.2 O=Cc1cccc(Br)c1 Amb1232086 [1,0,0,0,0,1|2,0,0]=4 6494 B9R1.2 O=Cc1cccc(Cl)c1 Amb2725499 [1,0,0,0,0,1|2,0,0]=4 6495 B9R1.2 O=Cc1cccc(F)c1 Amb535197 [1,0,0,0,0,1|2,0,0]=4 6496 B9R1.2 O=Cc1cccc(I)c1 Amb1033003 [1,0,0,0,0,1|2,0,0]=4 6497 B9R1.2 O=Cc1cccc(O)c1 Amb1880871 [1,0,0,0,0,1|2,0,0]=4 6498 B9R1.2 O=Cc1cccc(S)c1 Amb13952077 [1,0,0,0,0,1|2,0,0]=4 6499 B9R1.2 O=Cc1ccnc(Br)c1 Amb2455911 [1,0,0,0,0,1|2,0,0]=4 6500 B9R1.2 O=Cc1ccnc(Cl)c1 Amb22831477 [1,0,0,0,0,1|2,0,0]=4 6501 B9R1.2 O=Cc1ccnc(Cl)c1 Amb2447585 [1,0,0,0,0,1|2,0,0]=4 6502 B9R1.2 O=Cc1ccnc(F)c1 Amb8396130 [1,0,0,0,0,1|2,0,0]=4 6503 B9R1.2 O=Cc1ccnc(O)c1 Amb2695333 [1,0,0,0,0,1|2,0,0]=4 6504 B9R1.2 O=Cc1cncc(Br)c1 Amb2447305 [1,0,0,0,0,1|2,0,0]=4 6505 B9R1.2 O=Cc1cncc(Cl)c1 Amb6565107 [1,0,0,0,0,1|2,0,0]=4 6506 B9R1.2 O=Cc1cncc(F)c1 Amb2447593 [1,0,0,0,0,1|2,0,0]=4 6507 B9R1.2 O=Cc1cncc(F)c1 Amb33292547 [1,0,0,0,0,1|2,0,0]=4 6508 B9R1.2 O=Cc1cncc(I)c1 Amb6565106 [1,0,0,0,0,1|2,0,0]=4 6509 B9R1.2 O=Cc1cncc(O)c1 Amb19895145 [1,0,0,0,0,1|2,0,0]=4 6510 B9R1.13 BrC(Br)=Cc1ccsc1 Amb27620609 [1,0,0,0,0,1|2,0,0]=4 6511 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [1,0,0,0,0,1|1,1,0]=4 6512 B9R1.13 CC(=O)Cc1ccsc1 Amb6744886 [1,0,0,0,0,1|1,0,0]=3 6513 B9R1.13 CC(=O)Cc1cscn1 Amb26967074 [1,0,0,0,0,1|2,0,0]=4 6514 B9R1.13 CC(=O)Nc1ccsc1 Amb4036279 [1,0,0,0,0,1|1,0,0]=3 6515 B9R1.13 CC(=O)Nc1cnsc1 Amb24606511 [1,0,0,0,0,1|2,0,0]=4 6516 B9R1.13 CC(=O)Nc1cscn1 Amb6298641 [1,0,0,0,0,1|2,0,0]=4 6517 B9R1.13 CC(=O)Oc1ccsc1 Amb28138065 [1,0,0,0,0,1|1,0,0]=3 6518 B9R1.13 CC(=O)Sc1ccsc1 Amb24727644 [1,0,0,0,0,1|1,0,0]=3 6519 B9R1.13 CC(O)Cc1ccsc1 Amb33531017 [1,0,0,0,0,1|1,0,1]=4 6520 B9R1.13 CN(O)Cc1ccsc1 Amb33429085 [1,0,0,0,0,1|2,0,0]=4 6521 B9R1.13 C[C@@H](O)Cc1ccsc1 Amb22896909 [1,0,0,0,0,1|1,0,1]=4 6522 B9R1.13 C[C@H](O)Cc1ccsc1 Amb24395208 [1,0,0,0,0,1|1,0,1]=4 6523 B9R1.13 N=C(N)Cc1ccsc1 Amb2696409 [1,0,0,0,0,1|2,0,0]=4 6524 B9R1.13 N=C(N)Cc1ccsc1 Amb8630205 [1,0,0,0,0,1|2,0,0]=4 6525 B9R1.13 N=C(N)Nc1ccsc1 Amb27233199 [1,0,0,0,0,1|2,0,0]=4 6526 B9R1.13 NC(=O)Cc1ccoc1 Amb28186970 [1,0,0,0,0,1|1,1,0]=4 6527 B9R1.13 NC(=O)Cc1ccsc1 Amb33545701 [1,0,0,0,0,1|1,0,0]=3 6528 B9R1.13 NC(=O)Cc1ccsn1 Amb27460712 [1,0,0,0,0,1|2,0,0]=4 6529 B9R1.13 NC(=O)Cc1cscn1 Amb2610764 [1,0,0,0,0,1|2,0,0]=4 6530 B9R1.13 NC(=O)Nc1cnsc1 Amb30037163 [1,0,0,0,0,1|2,0,0]=4 6531 B9R1.13 NC(=S)Cc1ccsc1 Amb9510875 [1,0,0,0,0,1|1,1,0]=4 6532 B9R1.13 O=C(Cl)Cc1ccoc1 Amb27634134 [1,0,0,0,0,1|1,1,0]=4 6533 B9R1.13 O=C(Cl)Cc1ccsc1 Amb2690604 [1,0,0,0,0,1|1,0,0]=3 6534 B9R1.13 O=C(Cl)Nc1ccsc1 Amb35633253 [1,0,0,0,0,1|1,0,0]=3 6535 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [1,0,0,0,0,1|1,0,1]=4 6536 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [1,0,0,0,0,1|1,0,0]=3 6537 B9R1.13 O=C(O)C[n+]1ccsc1 Amb2612041 [1,0,0,0,0,1|1,0,0]=3 6538 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [1,0,0,0,0,1|2,0,0]=4 6539 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [1,0,0,0,0,1|2,0,0]=4 6540 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [1,0,0,0,0,1|2,0,0]=4 6541 B9R1.13 O=C(O)Cc1ccns1 Amb18831590 [1,0,0,0,0,1|2,0,0]=4 6542 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [1,0,0,0,0,1|0,1,0]=3 6543 B9R1.13 O=C(O)Cc1ccon1 Amb8009412 [1,0,0,0,0,1|1,1,0]=4 6544 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [1,0,0,0,0,1|0,0,0]=2 6545 B9R1.13 O=C(O)Cc1ccsn1 Amb18831591 [1,0,0,0,0,1|1,0,0]=3 6546 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [1,0,0,0,0,1|2,0,0]=4 6547 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [1,0,0,0,0,1|2,0,0]=4 6548 B9R1.13 O=C(O)Cc1cnoc1 Amb8009411 [1,0,0,0,0,1|1,1,0]=4 6549 B9R1.13 O=C(O)Cc1cnsc1 Amb18831589 [1,0,0,0,0,1|1,0,0]=3 6550 B9R1.13 O=C(O)Cc1cnsn1 Amb27822824 [1,0,0,0,0,1|2,0,0]=4 6551 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [1,0,0,0,0,1|1,1,0]=4 6552 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [1,0,0,0,0,1|1,0,0]=3 6553 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [1,0,0,0,0,1|1,0,0]=3 6554 B9R1.13 O=C(O)Cc1csnn1 Amb26926422 [1,0,0,0,0,1|2,0,0]=4 6555 B9R1.13 O=C(O)Cc1ncsn1 Amb18202411 [1,0,0,0,0,1|2,0,0]=4 6556 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [1,0,0,0,0,1|2,0,0]=4 6557 B9R1.13 O=C(O)Cn1ccnc1 Amb6336152 [1,0,0,0,0,1|2,0,0]=4 6558 B9R1.13 O=C(O)Cn1ccnc1 Amb7969660 [1,0,0,0,0,1|2,0,0]=4 6559 B9R1.13 O=C([O-])Cc1ccoc1 Amb8439404 [1,0,0,0,0,1|0,1,1]=4 6560 B9R1.13 O=[N+]([O-])Cc1ccsc1 Amb33428916 [1,0,0,0,0,1|1,0,1]=4 6561 B9R1.13 OB(O)Cc1ccsc1 Amb27243148 [1,0,0,0,0,1|1,0,1]=4 6562 B11R1.20 CC(=O)Cc1ccc(C)cc1 Amb2689597 [0,0,0,0,0,2|2,0,0]=4 6563 B11R1.20 CC(=O)Cc1ccc(C)cn1 Amb10607335 [0,0,0,0,0,2|2,0,0]=4 6564 B11R1.20 CC(=O)Cc1ccc(C)nc1 Amb33344778 [0,0,0,0,0,2|2,0,0]=4 6565 B11R1.20 CC(=O)Cc1cnc(C)cn1 Amb25234305 [0,0,0,0,0,2|2,0,0]=4 6566 B11R1.20 CC(=O)Nc1ccc(C)cc1 Amb6355390 [0,0,0,0,0,2|2,0,0]=4 6567 B11R1.20 CC(=O)Nc1ccc(C)cn1 Amb2611612 [0,0,0,0,0,2|2,0,0]=4 6568 B11R1.20 CC(=O)Nc1cnc(C)cn1 Amb25075657 [0,0,0,0,0,2|2,0,0]=4 6569 B11R1.20 CC(=O)Sc1ccc(C)cc1 Amb17741675 [0,0,0,0,0,2|2,0,0]=4 6570 B11R1.20 Cc1cc[n+](CC(=O)O)cc1 Amb31127610 [0,0,0,0,0,2|2,0,0]=4 6571 B11R1.20 Cc1ccc(CC(=O)Cl)cc1 Amb2690620 [0,0,0,0,0,2|2,0,0]=4 6572 B11R1.20 Cc1ccc(CC(=O)O)cc1 Amb22434999 [0,0,0,0,0,2|1,0,0]=3 6573 B11R1.20 Cc1ccc(CC(=O)O)cc1 Amb843203 [0,0,0,0,0,2|1,0,0]=3 6574 B11R1.20 Cc1ccc(CC(=O)O)cn1 Amb9199463 [0,0,0,0,0,2|1,0,0]=3 6575 B11R1.20 Cc1ccc(CC(=O)O)nc1 Amb18201731 [0,0,0,0,0,2|1,0,0]=3 6576 B11R1.20 Cc1ccc(CC(=O)O)nc1 Amb22495844 [0,0,0,0,0,2|1,0,0]=3 6577 B11R1.20 Cc1ccc(CC(=O)O)nn1 Amb18201450 [0,0,0,0,0,2|2,0,0]=4 6578 B11R1.20 Cc1ccc(CC(=O)[O-])cc1 Amb33512947 [0,0,0,0,0,2|1,0,1]=4 6579 B11R1.20 Cc1ccc(CC(N)=O)cc1 Amb3447317 [0,0,0,0,0,2|2,0,0]=4 6580 B11R1.20 Cc1ccc(CC(N)=O)cn1 Amb25027878 [0,0,0,0,0,2|2,0,0]=4 6581 B11R1.20 Cc1ccc(CC(O)=S)cc1 Amb22229853 [0,0,0,0,0,2|1,1,0]=4 6582 B11R1.20 Cc1ccc(NC(=O)Cl)cn1 Amb35625783 [0,0,0,0,0,2|2,0,0]=4 6583 B11R1.20 Cc1ccc(NC(N)=O)cc1 Amb1195893 [0,0,0,0,0,2|2,0,0]=4 6584 B11R1.20 Cc1ccc(OC(=O)Cl)cc1 Amb8515454 [0,0,0,0,0,2|2,0,0]=4 6585 B11R1.20 Cc1ccc(OC(=O)Cl)cn1 Amb26079349 [0,0,0,0,0,2|2,0,0]=4 6586 B11R1.20 Cc1ccc(OC(=O)Cl)nc1 Amb33297327 [0,0,0,0,0,2|2,0,0]=4 6587 B11R1.20 Cc1ccc(SC(=O)Cl)cc1 Amb2689603 [0,0,0,0,0,2|2,0,0]=4 6588 B11R1.20 Cc1ccc(SC(=O)O)cc1 Amb27227871 [0,0,0,0,0,2|1,0,0]=3 6589 B11R1.20 Cc1cnc(CC(=O)O)cn1 Amb18201438 [0,0,0,0,0,2|1,0,0]=3 6590 B11R1.20 Cc1cnc(CC(=O)O)nc1 Amb26605424 [0,0,0,0,0,2|2,0,0]=4 6591 B11R1.20 Cc1cnc(CC(=O)O)nn1 Amb18201171 [0,0,0,0,0,2|2,0,0]=4 6592 B11R1.20 Cc1cnc(CC(=O)[O-])cn1 Amb33330047 [0,0,0,0,0,2|1,0,1]=4 6593 B11R1.20 Cc1ncc(CC(=O)O)cn1 Amb18201416 [0,0,0,0,0,2|1,0,0]=3 6594 B11R1.20 Cc1ncc(CC(=O)O)nn1 Amb18201150 [0,0,0,0,0,2|2,0,0]=4 6595 B11R1.20 Cc1ncc(NC(=O)Cl)cn1 Amb35625924 [0,0,0,0,0,2|2,0,0]=4 6596 B11R1.20 Nc1ccc(CC(=O)O)cc1 Amb532928 [0,0,0,0,0,2|2,0,0]=4 6597 B11R1.20 Nc1ccc(CC(=O)O)cn1 Amb24117183 [0,0,0,0,0,2|2,0,0]=4 6598 B11R1.20 Nc1ccc(CC(=O)O)cn1 Amb8630246 [0,0,0,0,0,2|2,0,0]=4 6599 B11R1.20 Nc1ccc(CC(=O)O)nc1 Amb20248323 [0,0,0,0,0,2|2,0,0]=4 6600 B11R1.20 Nc1ncc(CC(=O)O)cn1 Amb28289652 [0,0,0,0,0,2|2,0,0]=4 6601 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Amb33544221 [0,0,0,0,0,2|2,0,0]=4 6602 B11R1.20 O=C(O)CC1=CNC(=O)C=N1 Amb25028216 [0,0,0,0,0,2|2,0,0]=4 6603 B11R1.20 O=C(O)Cc1ccc(Br)cc1 Amb1140645 [0,0,0,0,0,2|2,0,0]=4 6604 B11R1.20 O=C(O)Cc1ccc(Br)cn1 Amb16231529 [0,0,0,0,0,2|2,0,0]=4 6605 B11R1.20 O=C(O)Cc1ccc(Br)cn1 Amb20247880 [0,0,0,0,0,2|2,0,0]=4 6606 B11R1.20 O=C(O)Cc1ccc(Br)nc1 Amb28461368 [0,0,0,0,0,2|2,0,0]=4 6607 B11R1.20 O=C(O)Cc1ccc(Cl)cc1 Amb843205 [0,0,0,0,0,2|2,0,0]=4 6608 B11R1.20 O=C(O)Cc1ccc(Cl)cn1 Amb20247877 [0,0,0,0,0,2|2,0,0]=4 6609 B11R1.20 O=C(O)Cc1ccc(Cl)cn1 Amb30634068 [0,0,0,0,0,2|2,0,0]=4 6610 B11R1.20 O=C(O)Cc1ccc(Cl)nc1 Amb8394904 [0,0,0,0,0,2|2,0,0]=4 6611 B11R1.20 O=C(O)Cc1ccc(F)cc1 Amb535686 [0,0,0,0,0,2|2,0,0]=4 6612 B11R1.20 O=C(O)Cc1ccc(F)cn1 Amb20247873 [0,0,0,0,0,2|2,0,0]=4 6613 B11R1.20 O=C(O)Cc1ccc(F)cn1 Amb28872301 [0,0,0,0,0,2|2,0,0]=4 6614 B11R1.20 O=C(O)Cc1ccc(I)cc1 Amb3792687 [0,0,0,0,0,2|2,0,0]=4 6615 B11R1.20 O=C(O)Cc1ccc(I)cn1 Amb27797104 [0,0,0,0,0,2|2,0,0]=4 6616 B11R1.20 O=C(O)Cc1ccc(O)cc1 Amb1214964 [0,0,0,0,0,2|2,0,0]=4 6617 B11R1.20 O=C(O)Cc1ccc(O)cn1 Amb26848856 [0,0,0,0,0,2|2,0,0]=4 6618 B11R1.20 O=C(O)Cc1ccc(S)cc1 Amb10808003 [0,0,0,0,0,2|2,0,0]=4 6619 B11R1.20 O=C(O)Cc1cnc(Br)cn1 Amb18168758 [0,0,0,0,0,2|2,0,0]=4 6620 B11R1.20 O=C(O)Cc1cnc(Br)nc1 Amb24532992 [0,0,0,0,0,2|2,0,0]=4 6621 B11R1.20 O=C(O)Cc1cnc(Cl)cn1 Amb27954652 [0,0,0,0,0,2|2,0,0]=4 6622 B11R1.20 O=C(O)Cc1cnc(Cl)nc1 Amb26605050 [0,0,0,0,0,2|2,0,0]=4 6623 B11R1.20 O=C(O)Cc1cnc(F)nc1 Amb25887132 [0,0,0,0,0,2|2,0,0]=4 6624 B11R1.565 CC(=O)C1=CCCC(C)=CC1 Amb27265775 [0,0,0,0,0,2|2,0,0]=4 6625 B11R1.565 CC1=CC=C(C(=O)O)CC=C1 Amb27392213 [0,0,0,0,0,2|1,0,0]=3 6626 B11R1.75 CC(=O)CCc1csc(Br)c1 Amb33263429 [0,0,0,0,0,2|2,0,0]=4 6627 B11R1.75 CC(=O)CCc1csc(C)n1 Amb18062040 [0,0,0,0,0,2|2,0,0]=4 6628 B11R1.75 CC(=O)CCc1csc(Cl)c1 Amb24523155 [0,0,0,0,0,2|2,0,0]=4 6629 B11R1.75 CC(=O)NCc1csc(Br)c1 Amb27836393 [0,0,0,0,0,2|2,0,0]=4 6630 B11R1.75 CC(=O)OCc1csc(C)c1 Amb27829622 [0,0,0,0,0,2|1,0,0]=3 6631 B11R1.75 CC(=O)OCc1csc(C)n1 Amb22749065 [0,0,0,0,0,2|2,0,0]=4 6632 B11R1.75 CC(=O)\C=C\c1csc(Br)c1 Amb33451086 [0,0,0,0,0,2|2,0,0]=4 6633 B11R1.75 CC(=O)\C=C\c1csc(C)n1 Amb33360384 [0,0,0,0,0,2|2,0,0]=4 6634 B11R1.75 CC1=CC(CCC(=O)O)=CC1 Amb27632504 [0,0,0,0,0,2|1,0,0]=3 6635 B11R1.75 CC1=C\C(=N\NC(N)=O)C=C1 Amb27165090 [0,0,0,0,0,2|2,0,0]=4 6636 B11R1.75 Cc1cc(C#CC(=O)O)no1 Amb33168947 [0,0,0,0,0,2|1,1,0]=4 6637 B11R1.75 Cc1cc(C#CC(=O)O)on1 Amb33168950 [0,0,0,0,0,2|2,0,0]=4 6638 B11R1.75 Cc1cc(CCC(=O)O)co1 Amb32713189 [0,0,0,0,0,2|0,1,0]=3 6639 B11R1.75 Cc1cc(CCC(=O)O)cs1 Amb27809533 [0,0,0,0,0,2|0,0,0]=2 6640 B11R1.75 Cc1cc(CCC(=O)O)no1 Amb18061968 [0,0,0,0,0,2|1,1,0]=4 6641 B11R1.75 Cc1cc(CCC(=O)O)ns1 Amb18198608 [0,0,0,0,0,2|1,0,0]=3 6642 B11R1.75 Cc1cc(CCC(=O)O)on1 Amb18200535 [0,0,0,0,0,2|2,0,0]=4 6643 B11R1.75 Cc1cc(CCC(=O)O)sn1 Amb18198610 [0,0,0,0,0,2|2,0,0]=4 6644 B11R1.75 Cc1cc(CNC(=O)Cl)cs1 Amb35633370 [0,0,0,0,0,2|1,0,0]=3 6645 B11R1.75 Cc1cc(CNC(N)=S)cs1 Amb27648222 [0,0,0,0,0,2|1,1,0]=4 6646 B11R1.75 Cc1cc(NCC(=O)O)no1 Amb20573519 [0,0,0,0,0,2|1,1,0]=4 6647 B11R1.75 Cc1cc(OCC(=O)O)no1 Amb431307 [0,0,0,0,0,2|1,1,0]=4 6648 B11R1.75 Cc1cc(OCC(=O)O)on1 Amb33326376 [0,0,0,0,0,2|2,0,0]=4 6649 B11R1.75 Cc1cc(\C=C\C(=O)O)co1 Amb25893070 [0,0,0,0,0,2|0,1,0]=3 6650 B11R1.75 Cc1cc(\C=C\C(=O)O)cs1 Amb25300336 [0,0,0,0,0,2|0,0,0]=2 6651 B11R1.75 Cc1cc(\C=C\C(=O)O)no1 Amb18125519 [0,0,0,0,0,2|1,1,0]=4 6652 B11R1.75 Cc1cc(\C=C\C(=O)O)on1 Amb33079891 [0,0,0,0,0,2|2,0,0]=4 6653 B11R1.75 Cc1cc(\C=C\C(=O)O)sn1 Amb25975414 [0,0,0,0,0,2|2,0,0]=4 6654 B11R1.75 Cc1cc(\C=C\C(C)O)cs1 Amb27788958 [0,0,0,0,0,2|1,0,1]=4 6655 B11R1.75 Cc1cc(\C=C\[N+](=O)[O-])cs1 Amb27759782 [0,0,0,0,0,2|1,0,1]=4 6656 B11R1.75 Cc1cc(\C=N\S(C)=O)cs1 Amb29865990 [0,0,0,0,0,2|2,0,0]=4 6657 B11R1.75 Cc1ccc(C#CC(=O)O)o1 Amb25361971 [0,0,0,0,0,2|2,0,0]=4 6658 B11R1.75 Cc1ccc(C#CC(=O)O)s1 Amb26961955 [0,0,0,0,0,2|2,0,0]=4 6659 B11R1.75 Cc1ccc(CCC(=O)O)o1 Amb6336472 [0,0,0,0,0,2|2,0,0]=4 6660 B11R1.75 Cc1ccc(CCC(=O)O)s1 Amb33528678 [0,0,0,0,0,2|2,0,0]=4 6661 B11R1.75 Cc1ccc(OCC(=O)O)o1 Amb33317586 [0,0,0,0,0,2|2,0,0]=4 6662 B11R1.75 Cc1ccc(OCC(=O)O)s1 Amb33375162 [0,0,0,0,0,2|2,0,0]=4 6663 B11R1.75 Cc1ccc(SCC(=O)O)s1 Amb27232833 [0,0,0,0,0,2|2,0,0]=4 6664 B11R1.75 Cc1ccc(\C=C\C(=O)O)o1 Amb34915176 [0,0,0,0,0,2|2,0,0]=4 6665 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb33714764 [0,0,0,0,0,2|2,0,0]=4 6666 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb425405 [0,0,0,0,0,2|2,0,0]=4 6667 B11R1.75 Cc1ccn(CCC(=O)O)c1 Amb27437999 [0,0,0,0,0,2|2,0,0]=4 6668 B11R1.75 Cc1cn(CCC(=O)O)cn1 Amb18254950 [0,0,0,0,0,2|2,0,0]=4 6669 B11R1.75 Cc1coc(\C=C\C(=O)O)c1 Amb25958503 [0,0,0,0,0,2|2,0,0]=4 6670 B11R1.75 Cc1csc(C#CC(=O)O)c1 Amb26844441 [0,0,0,0,0,2|2,0,0]=4 6671 B11R1.75 Cc1csc(CCC(=O)O)c1 Amb22886570 [0,0,0,0,0,2|2,0,0]=4 6672 B11R1.75 Cc1csc(OCC(=O)O)c1 Amb33373452 [0,0,0,0,0,2|2,0,0]=4 6673 B11R1.75 Cc1csc(SCC(=O)O)c1 Amb27823333 [0,0,0,0,0,2|2,0,0]=4 6674 B11R1.75 Cc1csc(\C=C\C(=O)O)c1 Amb33171868 [0,0,0,0,0,2|2,0,0]=4 6675 B11R1.75 Cc1nc(C#CC(=O)O)co1 Amb33169011 [0,0,0,0,0,2|1,1,0]=4 6676 B11R1.75 Cc1nc(C#CC(=O)O)cs1 Amb27647806 [0,0,0,0,0,2|1,0,0]=3 6677 B11R1.75 Cc1nc(CCC(=O)O)co1 Amb17399989 [0,0,0,0,0,2|1,1,0]=4 6678 B11R1.75 Cc1nc(CCC(=O)O)cs1 Amb8010320 [0,0,0,0,0,2|1,0,0]=3 6679 B11R1.75 Cc1nc(OCC(=O)O)cs1 Amb33320495 [0,0,0,0,0,2|1,0,0]=3 6680 B11R1.75 Cc1nc(\C=C\C(=O)O)co1 Amb27632440 [0,0,0,0,0,2|1,1,0]=4 6681 B11R1.75 Cc1nc(\C=C\C(=O)O)cs1 Amb501605 [0,0,0,0,0,2|1,0,0]=3 6682 B11R1.75 Cc1nc(\C=C\C(N)=O)cs1 Amb8858724 [0,0,0,0,0,2|2,0,0]=4 6683 B11R1.75 Cc1ncc(CCC(=O)O)o1 Amb18830921 [0,0,0,0,0,2|2,0,0]=4 6684 B11R1.75 Cc1ncc(CCC(=O)O)s1 Amb18302885 [0,0,0,0,0,2|2,0,0]=4 6685 B11R1.75 Cc1ncc(OCC(=O)O)s1 Amb33148158 [0,0,0,0,0,2|2,0,0]=4 6686 B11R1.75 Cc1ncc(\C=C\C(=O)O)s1 Amb18255512 [0,0,0,0,0,2|2,0,0]=4 6687 B11R1.75 Cn1cc(C#CC(=O)O)cn1 Amb20620044 [0,0,0,0,0,2|2,0,0]=4 6688 B11R1.75 Cn1cc(CCC(=O)O)cn1 Amb1946073 [0,0,0,0,0,2|2,0,0]=4 6689 B11R1.75 Cn1cc(NCC(=O)O)cn1 Amb18933570 [0,0,0,0,0,2|2,0,0]=4 6690 B11R1.75 Cn1cc(NCC(=O)O)cn1 Amb28652967 [0,0,0,0,0,2|2,0,0]=4 6691 B11R1.75 Cn1cc(OCC(=O)O)cn1 Amb23509498 [0,0,0,0,0,2|2,0,0]=4 6692 B11R1.75 Cn1cc(OCC(=O)O)cn1 Amb28653015 [0,0,0,0,0,2|2,0,0]=4 6693 B11R1.75 Cn1cc(SCC(=O)O)cn1 Amb18292760 [0,0,0,0,0,2|2,0,0]=4 6694 B11R1.75 Cn1cc(\C=C\C(=O)O)cn1 Amb6462469 [0,0,0,0,0,2|2,0,0]=4 6695 B11R1.75 Cn1ccc(CCC(=O)O)c1 Amb18065395 [0,0,0,0,0,2|2,0,0]=4 6696 B11R1.75 Cn1ccc(\C=C\C(=O)O)c1 Amb33473125 [0,0,0,0,0,2|2,0,0]=4 6697 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb13949099 [0,0,0,0,0,2|2,0,0]=4 6698 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb21955536 [0,0,0,0,0,2|2,0,0]=4 6699 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb2721898 [0,0,0,0,0,2|2,0,0]=4 6700 B11R1.75 O=C(Cl)NCc1csc(Br)c1 Amb35625772 [0,0,0,0,0,2|2,0,0]=4 6701 B11R1.75 O=C(O)C#Cc1csc(Br)c1 Amb26061070 [0,0,0,0,0,2|1,0,0]=3 6702 B11R1.75 O=C(O)CCC1=CSC(=O)N1 Amb18544048 [0,0,0,0,0,2|2,0,0]=4 6703 B11R1.75 O=C(O)CCc1coc(Br)c1 Amb26937632 [0,0,0,0,0,2|1,1,0]=4 6704 B11R1.75 O=C(O)CCc1csc(Br)c1 Amb26879641 [0,0,0,0,0,2|1,0,0]=3 6705 B11R1.75 O=C(O)CCc1csc(Br)n1 Amb17409134 [0,0,0,0,0,2|2,0,0]=4 6706 B11R1.75 O=C(O)CCc1csc(Cl)c1 Amb25116438 [0,0,0,0,0,2|1,0,0]=3 6707 B11R1.75 O=C(O)CCc1csc(I)c1 Amb33470232 [0,0,0,0,0,2|1,0,0]=3 6708 B11R1.75 O=C(O)CCc1csc(S)n1 Amb18129800 [0,0,0,0,0,2|2,0,0]=4 6709 B11R1.75 O=C(O)COc1csc(Br)c1 Amb33433598 [0,0,0,0,0,2|1,0,0]=3 6710 B11R1.75 O=C(O)COc1csc(Br)n1 Amb33335852 [0,0,0,0,0,2|2,0,0]=4 6711 B11R1.75 O=C(O)COc1csc(Cl)c1 Amb18651351 [0,0,0,0,0,2|1,0,0]=3 6712 B11R1.75 O=C(O)\C=C\c1coc(Br)c1 Amb33470081 [0,0,0,0,0,2|1,1,0]=4 6713 B11R1.75 O=C(O)\C=C\c1csc(Br)c1 Amb34185909 [0,0,0,0,0,2|1,0,0]=3 6714 B11R1.75 O=C(O)\C=C\c1csc(Br)n1 Amb28130054 [0,0,0,0,0,2|2,0,0]=4 6715 B11R1.75 O=C(O)\C=C\c1csc(Cl)c1 Amb33051987 [0,0,0,0,0,2|1,0,0]=3 6716 B11R1.75 O=C(O)\C=C\c1csc(I)c1 Amb33470063 [0,0,0,0,0,2|1,0,0]=3 6717 B11R1.157 CC(=O)Cc1cc(C)ccn1 Amb1995157 [0,0,0,0,0,2|2,0,0]=4 6718 B11R1.157 CC(=O)Cc1cccc(C)c1 Amb5751054 [0,0,0,0,0,2|2,0,0]=4 6719 B11R1.157 CC(=O)Cc1ccnc(C)c1 Amb33268653 [0,0,0,0,0,2|2,0,0]=4 6720 B11R1.157 CC(=O)Cc1cncc(C)c1 Amb33226951 [0,0,0,0,0,2|2,0,0]=4 6721 B11R1.157 CC(=O)Nc1cc(C)ccn1 Amb2609640 [0,0,0,0,0,2|2,0,0]=4 6722 B11R1.157 CC(=O)Nc1cccc(C)c1 Amb1934773 [0,0,0,0,0,2|2,0,0]=4 6723 B11R1.157 CC(=O)Nc1cncc(C)c1 Amb27752244 [0,0,0,0,0,2|2,0,0]=4 6724 B11R1.157 CC(=O)Oc1cccc(C)c1 Amb4036635 [0,0,0,0,0,2|2,0,0]=4 6725 B11R1.157 CC(=O)Oc1cncc(C)c1 Amb28429832 [0,0,0,0,0,2|2,0,0]=4 6726 B11R1.157 CC1=C\C(=C\C(=O)O)CCC1 Amb27433953 [0,0,0,0,0,2|1,0,1]=4 6727 B11R1.157 Cc1cc(CC(=O)O)ccn1 Amb18831266 [0,0,0,0,0,2|1,0,0]=3 6728 B11R1.157 Cc1cc(CC(=O)O)ncn1 Amb18862487 [0,0,0,0,0,2|1,0,0]=3 6729 B11R1.157 Cc1cc(CC(=O)[O-])ccn1 Amb33803094 [0,0,0,0,0,2|1,0,1]=4 6730 B11R1.157 Cc1cc(CC(N)=O)ccn1 Amb26943821 [0,0,0,0,0,2|2,0,0]=4 6731 B11R1.157 Cc1cccc(CC(=O)Cl)c1 Amb2690619 [0,0,0,0,0,2|2,0,0]=4 6732 B11R1.157 Cc1cccc(CC(=O)O)c1 Amb2690617 [0,0,0,0,0,2|1,0,0]=3 6733 B11R1.157 Cc1cccc(CC(=O)O)n1 Amb17617788 [0,0,0,0,0,2|2,0,0]=4 6734 B11R1.157 Cc1cccc(CC(N)=O)c1 Amb2107850 [0,0,0,0,0,2|2,0,0]=4 6735 B11R1.157 Cc1cccc(NC(=O)Cl)c1 Amb27230507 [0,0,0,0,0,2|2,0,0]=4 6736 B11R1.157 Cc1cccc(NC(N)=O)c1 Amb1139814 [0,0,0,0,0,2|2,0,0]=4 6737 B11R1.157 Cc1cccc(OC(=O)Cl)c1 Amb33542810 [0,0,0,0,0,2|2,0,0]=4 6738 B11R1.157 Cc1ccnc(CC(=O)O)c1 Amb18201755 [0,0,0,0,0,2|1,0,0]=3 6739 B11R1.157 Cc1ccnc(CC(=O)O)c1 Amb22587582 [0,0,0,0,0,2|1,0,0]=3 6740 B11R1.157 Cc1ccnc(CC(=O)O)n1 Amb18224300 [0,0,0,0,0,2|2,0,0]=4 6741 B11R1.157 Cc1ccnc(CC(N)=O)c1 Amb25360857 [0,0,0,0,0,2|2,0,0]=4 6742 B11R1.157 Cc1ccnc(NC(N)=O)c1 Amb28141956 [0,0,0,0,0,2|2,0,0]=4 6743 B11R1.157 Cc1cncc(CC(=O)O)c1 Amb18201711 [0,0,0,0,0,2|1,0,0]=3 6744 B11R1.157 Cc1cncc(CC(=O)O)c1 Amb28652865 [0,0,0,0,0,2|1,0,0]=3 6745 B11R1.157 Cc1cncc(NC(=O)Cl)c1 Amb35633214 [0,0,0,0,0,2|2,0,0]=4 6746 B11R1.157 Cc1cncc(OC(N)=O)c1 Amb28046724 [0,0,0,0,0,2|2,0,0]=4 6747 B11R1.157 Cc1nccc(CC(=O)O)n1 Amb18201470 [0,0,0,0,0,2|2,0,0]=4 6748 B11R1.157 Cc1nncc(CC(=O)O)n1 Amb18201166 [0,0,0,0,0,2|2,0,0]=4 6749 B11R1.157 Nc1cc(CC(=O)O)ccn1 Amb30634265 [0,0,0,0,0,2|2,0,0]=4 6750 B11R1.157 Nc1cc(CC(=O)O)ccn1 Amb8386303 [0,0,0,0,0,2|2,0,0]=4 6751 B11R1.157 Nc1cccc(CC(=O)O)c1 Amb19373490 [0,0,0,0,0,2|2,0,0]=4 6752 B11R1.157 Nc1cccc(CC(=O)O)c1 Amb3941543 [0,0,0,0,0,2|2,0,0]=4 6753 B11R1.157 Nc1cncc(CC(=O)O)c1 Amb28285372 [0,0,0,0,0,2|2,0,0]=4 6754 B11R1.157 O=C(O)CC1=CC(=O)NC=C1 Amb26396091 [0,0,0,0,0,2|2,0,0]=4 6755 B11R1.157 O=C(O)CC1=CC(=O)NC=N1 Amb22009632 [0,0,0,0,0,2|2,0,0]=4 6756 B11R1.157 O=C(O)CC1=CC(=O)NN=C1 Amb25825208 [0,0,0,0,0,2|2,0,0]=4 6757 B11R1.157 O=C(O)CC1=CSCC(=O)N1 Amb17112127 [0,0,0,0,0,2|2,0,0]=4 6758 B11R1.157 O=C(O)Cc1cc(Br)ccn1 Amb26443405 [0,0,0,0,0,2|2,0,0]=4 6759 B11R1.157 O=C(O)Cc1cc(Br)ncn1 Amb24527832 [0,0,0,0,0,2|2,0,0]=4 6760 B11R1.157 O=C(O)Cc1cc(F)ncn1 Amb25377314 [0,0,0,0,0,2|2,0,0]=4 6761 B11R1.157 O=C(O)Cc1cccc(Br)c1 Amb1134647 [0,0,0,0,0,2|2,0,0]=4 6762 B11R1.157 O=C(O)Cc1cccc(Cl)c1 Amb3939860 [0,0,0,0,0,2|2,0,0]=4 6763 B11R1.157 O=C(O)Cc1cccc(F)c1 Amb2688301 [0,0,0,0,0,2|2,0,0]=4 6764 B11R1.157 O=C(O)Cc1cccc(I)c1 Amb3792688 [0,0,0,0,0,2|2,0,0]=4 6765 B11R1.157 O=C(O)Cc1cccc(O)c1 Amb3940110 [0,0,0,0,0,2|2,0,0]=4 6766 B11R1.157 O=C(O)Cc1ccnc(Br)c1 Amb8386245 [0,0,0,0,0,2|2,0,0]=4 6767 B11R1.157 O=C(O)Cc1ccnc(Cl)c1 Amb6308598 [0,0,0,0,0,2|2,0,0]=4 6768 B11R1.157 O=C(O)Cc1ccnc(F)c1 Amb26478056 [0,0,0,0,0,2|2,0,0]=4 6769 B11R1.157 O=C(O)Cc1ccnc(O)c1 Amb33533757 [0,0,0,0,0,2|2,0,0]=4 6770 B11R1.157 O=C(O)Cc1cncc(Br)c1 Amb2732504 [0,0,0,0,0,2|2,0,0]=4 6771 B11R1.157 O=C(O)Cc1cncc(Cl)c1 Amb26845064 [0,0,0,0,0,2|2,0,0]=4 6772 B11R1.157 O=C(O)Cc1cncc(F)c1 Amb18285911 [0,0,0,0,0,2|2,0,0]=4 6773 B11R1.157 O=C(O)Cc1cncc(O)c1 Amb27781042 [0,0,0,0,0,2|2,0,0]=4