0 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [1,0,0,0,0,0|1,2,0]=4 1 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [1,0,0,0,0,0|2,1,0]=4 5 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [1,0,0,0,0,0|1,2,0]=4 7 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [1,0,0,0,0,0|0,2,0]=3 8 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.35 O=C(O)C1=CN=C(Br)S1 CS-D0331 [1,0,0,0,0,0|1,2,0]=4 10 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CS-B1388 [1,0,0,0,0,0|1,1,0]=3 11 B9R1.35 O=C(O)C1=COC(Cl)=N1 CS-W021675 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 O=C(O)C1=CSC(Br)=C1 CS-D0428 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 O=C(O)C1=NC(Br)=CS1 CS-W006047 [1,0,0,0,0,0|1,2,0]=4 14 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)S1 CS-M2942 [0,1,0,0,0,0|0,2,0]=3 15 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS-W007779 [0,0,0,0,0,1|2,1,0]=4 16 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS-0032913 [0,0,0,0,0,1|2,0,0]=3 17 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS-W019905 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 CS-0043478 [0,0,0,0,0,1|2,1,0]=4 19 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS-W022384 [0,0,0,0,0,1|2,1,0]=4 20 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS-W010963 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.21 CC1=CC(C(=O)O)=CC=C1N CS-W018121 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS-D1645 [0,0,0,0,0,1|2,1,0]=4 23 B11R1.21 CC1=CC=C(C(=O)O)C=C1C CS-W018150 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.21 CC1=CC=C(C(=O)O)C=C1I CS-W020661 [0,0,0,0,0,1|2,1,0]=4 25 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br CS-W007217 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 CS-W022442 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 CS-W014872 [0,0,0,0,0,1|2,1,0]=4 28 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS-W008331 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS-W016253 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl CS-W020673 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.21 NC1=CC=C(C(=O)O)C=C1O CS-W002114 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.21 O=C(O)C1=CC(Br)=C(Br)N=C1 CS-0041188 [0,0,0,0,0,1|1,2,0]=4 33 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS-W006144 [0,0,0,0,0,1|1,2,0]=4 34 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 CS-W007398 [0,0,0,0,0,1|1,0,0]=2 35 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS-W008099 [0,0,0,0,0,1|1,1,0]=3 36 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS-W014591 [0,0,0,0,0,1|1,2,0]=4 37 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CS-0060337 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 CS-W014369 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS-W008049 [0,0,0,0,0,1|2,1,0]=4 40 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 CS-W009127 [0,0,0,0,0,1|1,2,0]=4 41 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(Cl)=C1 CS-W003123 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 CS-0041765 [0,0,0,0,0,1|2,1,0]=4 43 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS-D0955 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 CS-0030557 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 CS-0044230 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 CS-W016258 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 CS-W004992 [0,0,0,0,0,1|1,1,0]=3 48 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 CS-W016212 [0,0,0,0,0,1|1,2,0]=4 49 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 CS-0094290 [0,0,0,0,0,1|1,2,0]=4 50 B11R1.74 OB(O)C1=CC(Cl)=CC(Cl)=C1 CS-D1010 [0,0,0,0,0,1|2,0,1]=4 51 B11R1.74 OB(O)C1=CC(Cl)=NC(Cl)=C1 CS-W005531 [0,0,0,0,0,1|2,0,1]=4 52 B8R1.1 CC1=CC=C(C=O)S1 CS-W018539 [2,0,0,0,0,0|1,1,0]=4 53 B8R1.1 CC1=NC=C(C=O)O1 CS-W021727 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.1 O=CC1=CC(Br)=CS1 CS-W005050 [2,0,0,0,0,0|0,2,0]=4 55 B8R1.1 O=CC1=CC(I)=CS1 CS-0041659 [2,0,0,0,0,0|0,2,0]=4 56 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [2,0,0,0,0,0|0,1,0]=3 58 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [2,0,0,0,0,0|0,1,1]=4 62 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS-W007392 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS-W022849 [1,1,0,0,0,0|0,2,0]=4 64 B10R1.14 COC(=O)C1=CC=C(C)O1 CS-W005869 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS-W006609 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.59 CC1=C(C(=O)O)OC(Br)=C1 CS-0102950 [1,1,0,0,0,0|0,1,0]=3 67 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 CS-0072383 [1,1,0,0,0,0|1,1,0]=4 68 B12R1.56 N#CC1=CC(C(=O)O)=CC=C1Cl CS-0030476 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1Cl CS-0060845 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 CS-W006846 [0,1,0,0,0,1|1,1,0]=4 71 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 CS-W022046 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1Cl CS-W006200 [0,1,0,0,0,1|1,0,0]=3 73 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)N=C1Cl CS-W019671 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 CS-W007871 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.367 COC(=O)C1=CC=C(Br)C(Cl)=C1 CS-0036923 [0,1,0,0,0,1|1,1,0]=4 76 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=C1 CS-0095864 [0,1,0,0,0,1|1,1,0]=4 77 B12R1.367 COC(=O)C1=CC=C(Cl)C(I)=C1 CS-0094444 [0,1,0,0,0,1|1,1,0]=4 78 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS-W022878 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1Cl CS-0061147 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.11 COC1=CC(C(=O)O)=NC(Cl)=C1 CS-0005507 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 CS-D0956 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=N1 CS-W004814 [0,1,0,0,0,1|1,0,0]=3 83 B12R1.358 COC(=O)C1=NC(Cl)=CC(Cl)=C1 CS-W005398 [0,1,0,0,0,1|1,0,0]=3 84 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1O CS-W021812 [0,1,0,0,0,1|1,0,0]=3 85 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 CS-W020044 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 CS-W006258 [1,0,0,0,0,1|2,0,0]=4 87 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS-W016774 [0,0,0,0,0,2|1,1,0]=4 88 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 CS-0101078 [0,0,0,0,0,2|1,1,0]=4 89 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 CS-W021404 [0,0,0,0,0,2|1,1,0]=4