0 B10R1.58 CN1N=C(C(=O)O)N=C1Cl BBL036485 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 BBL038338 [0,0,0,0,0,0|0,3,0]=3 2 B9R1.23 CC1=C(Br)C=C(C=O)S1 BBL104319 [1,0,0,0,0,0|1,2,0]=4 3 B9R1.23 O=CC1=CC(Br)=C(Br)S1 BBL038242 [1,0,0,0,0,0|0,3,0]=4 4 B9R1.35 CC(=O)C1=CC(Br)=CS1 BBL104318 [1,0,0,0,0,0|1,2,0]=4 5 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 CC1=CC(C(=O)O)=NO1 BBL015822 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BBL014853 [1,0,0,0,0,0|2,1,0]=4 8 B9R1.35 CC1=CC=C(C(=O)O)S1 BBL037421 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BBL023677 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.35 CC1=NC(C(=O)O)=CO1 BBL028443 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NOC(C(=O)O)=C1 BBL016103 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 NC(=O)C1=CC=C(Br)O1 BBL037288 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.35 NC1=CC(C(=O)O)=NN1 BBL038225 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 NC1=NC(C(=O)O)=CS1 BBL003682 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BBL014852 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.35 O=C(O)C1=CC(Br)=CS1 BBL038304 [1,0,0,0,0,0|0,2,0]=3 17 B9R1.35 O=C(O)C1=CC(Cl)=CN1 BBL025690 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BBL029454 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.35 O=C(O)C1=CC=C(Br)O1 BBL009134 [1,0,0,0,0,0|0,1,0]=2 20 B9R1.35 O=C(O)C1=CC=C(Br)S1 BBL016317 [1,0,0,0,0,0|0,2,0]=3 21 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BBL037515 [1,0,0,0,0,0|0,1,0]=2 22 B9R1.35 O=C(O)C1=CC=C(F)S1 BBL040753 [1,0,0,0,0,0|0,2,0]=3 23 B9R1.35 O=C(O)C1=CN=C(Br)S1 BBL010885 [1,0,0,0,0,0|1,2,0]=4 24 B9R1.35 O=C(O)C1=CSC(Br)=N1 BBL010836 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.35 O=C1C=C(C(=O)O)NN1 BBL010248 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 O=C1NC=C(C(=O)O)N1 BBL003459 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 BBL039180 [0,1,0,0,0,0|1,2,0]=4 28 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 BBL027299 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.21 CC1=CC=C(C(=O)O)C=C1N BBL009326 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 BBL027919 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 BBL010301 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BBL012255 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.21 NC1=CC(C(=O)O)=CC=C1Br BBL025694 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BBL028248 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BBL030856 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BBL010023 [0,0,0,0,0,1|1,2,0]=4 37 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BBL010021 [0,0,0,0,0,1|1,1,0]=3 38 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BBL011050 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BBL012232 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 BBL031017 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BBL030988 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 BBL011969 [0,0,0,0,0,1|1,0,0]=2 43 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 BBL019762 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BBL004463 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BBL013050 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl BBL015982 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.80 NC1=NN(CC(=O)O)C=C1Cl BBL040760 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [2,0,0,0,0,0|0,2,0]=4 50 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [2,0,0,0,0,0|0,1,0]=3 51 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [2,0,0,0,0,0|1,1,0]=4 54 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [2,0,0,0,0,0|0,0,0]=2 55 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BBL016557 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.14 COC(=O)C1=CC=C(Br)O1 BBL009127 [1,1,0,0,0,0|0,1,0]=3 58 B10R1.14 NNC(=O)C1=CC=C(Br)O1 BBL014279 [1,1,0,0,0,0|1,1,0]=4 59 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 BBL016080 [1,1,0,0,0,0|1,1,0]=4 60 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BBL029191 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.31 CCC1=CC=C(C(=O)O)S1 BBL028250 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.31 N#CC1=CNC(C(=O)O)=C1 BBL025905 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBL015780 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 BBL030132 [1,1,0,0,0,0|1,1,0]=4 65 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BBL030451 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.59 CN1C=C(Br)C=C1C(=O)O BBL030879 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.59 CN1C=C(Cl)C=C1C(=O)O BBL025924 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 BBL100128 [1,1,0,0,0,0|0,2,0]=4 69 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 BBL002734 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=N1 BBL030314 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.48 COC1=COC(C(=O)O)=CC1=O BBL035026 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BBL008105 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 BBL028230 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 BBL034873 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 BBL025691 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 BBL104381 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.893 CC(=O)C1=CC=C(Cl)C(Cl)=C1Cl BBL011536 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 BBL018971 [0,1,0,0,0,1|1,0,0]=3 79 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl BBL018964 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 BBL009510 [0,1,0,0,0,1|1,1,0]=4 81 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 BBL009511 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 BBL017504 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1O BBL027817 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1O BBL025784 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.511 NC1=C(Cl)C=C(Cl)C=C1C(=O)O BBL009789 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 BBL025712 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1Br BBL009479 [0,1,0,0,0,1|1,0,0]=3 88 B12R1.511 O=C(O)C1=CC(Cl)=CC(I)=C1O BBL028813 [0,1,0,0,0,1|1,1,0]=4 89 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 BBL016031 [1,0,0,0,0,1|2,0,0]=4