0 B10R1.58 CN1N=C(C(=O)O)C=C1F E72900 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [1,0,0,0,0,0|1,1,0]=3 2 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [1,0,0,0,0,0|1,1,0]=3 6 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 OB(O)C1=CC=C(F)O1 AC8605 [1,0,0,0,0,0|1,1,1]=4 13 B11R1.226 COC(=O)C1=CC(I)=C(Cl)N1 AC8732 [0,1,0,0,0,0|1,1,0]=3 14 B11R1.672 CC1=C(Cl)C(Cl)=C(C(=O)O)N1 60160 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.672 O=C(O)C1=C(F)C(Br)=C(Br)S1 E71864 [0,1,0,0,0,0|0,3,0]=4 16 B11R1.672 [2H]C(=O)C1=C([2H])C([2H])=C([2H])O1 D99565 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.672 [2H]C1=C([2H])C([2H])=C(C(N)=O)O1 D99140 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,0,0,0,0,1|2,1,0]=4 21 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=N1 F31272 [0,0,0,0,0,1|2,1,0]=4 22 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,0,0,0,0,1|2,1,0]=4 23 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,0,0,0,0,1|1,1,0]=3 24 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 AT22891 [0,0,0,0,0,1|1,2,0]=4 25 B11R1.74 CC(=O)C1=NC(Cl)=NC(Cl)=C1 91060 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.74 CC1=CC(C(=O)O)=CC(F)=N1 AT21700 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.74 CC1=NC(Br)=NC(C(=O)O)=C1 AT21615 [0,0,0,0,0,1|2,1,0]=4 28 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=N1 51883 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.74 NC1=CC(Br)=NC(C(=O)O)=C1 P19210 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.74 NC1=NC(C(=O)O)=CC(Cl)=N1 D76794 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.74 [2H]C1=CC([2H])=CC(C(=O)O)=C1 D99631 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.1 CC1=COC(C=O)=C1 P11782 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.1 O=CC1=CC(F)=CS1 D74660 [2,0,0,0,0,0|0,2,0]=4 36 B8R1.1 O=CC1=CC=C(F)S1 87160 [2,0,0,0,0,0|0,2,0]=4 37 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [2,0,0,0,0,0|0,0,1]=3 38 B8R1.1 OCC1=CC=C(F)O1 55270 [2,0,0,0,0,0|0,1,1]=4 39 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [2,0,0,0,0,0|0,1,1]=4 40 B8R1.7 O=C(O)C1=NN=CO1 D74898 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.31 O=C(O)C1=CSC(CCl)=N1 C77454 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)O1 AT17344 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.59 CC1=C(C(=O)O)OC(Br)=N1 O10680 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.59 CC1=C(C(=O)O)OC(I)=N1 O10805 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [1,1,0,0,0,0|0,2,0]=4 49 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [1,1,0,0,0,0|1,1,0]=4 51 B10R1.194 O=C(O)C1=NNC(Cl)=C1Cl F12449 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=N1 AC9654 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)N=C1 C77409 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.56 CCC1=NC(C(=O)O)=CN=C1Cl 57171 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(I)=N1 P18002 [0,1,0,0,0,1|1,1,0]=4 58 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,1,0,0,0,1|1,1,0]=4 59 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=N1 98372 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,1,0,0,0,1|1,1,0]=4 63 B12R1.893 CC1=C(Cl)C(C(=O)O)=CN=C1Cl AT21680 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.11 O=CC1=CC(Cl)=CC(C(=O)O)=C1 AC4465 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.511 NC1=C(Cl)N=C(Cl)N=C1C(=O)O P11743 [0,1,0,0,0,1|1,0,0]=3 66 B10R1.8 O=CC1=NC(Cl)=CC(Cl)=N1 F19694 [1,0,0,0,0,1|2,0,0]=4 67 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 P12957 [1,0,0,0,0,1|1,1,0]=4