0 B10R1.172 C#CC1=CC(OC)=CN=C1 AT22617 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.172 CCC1=CC=CC(CBr)=N1 P20680 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.172 CCC1=CN=CC(CC)=N1 D86043 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.172 CNC1=NC=CC(OC)=N1 D74377 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.172 COC1=CC=NC(CCl)=N1 D87573 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.172 COC1=CN=CC(C=O)=N1 P12239 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.172 COC1=NC(CN)=CN=C1 D76775 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.172 COC1=NC(CO)=NC=C1 D74725 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 COC1=NN=CC(N)=C1 AC8536 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 COC1=N[N+]([O-])=CC=C1 D74921 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.2 NCC1=NC=CC(O)=C1 79355 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.9 COC1=CC(O)=CC(C#N)=C1 D86039 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.9 COC1=CC(OC)=NC(Br)=N1 D76255 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.9 COC1=CC(OC)=NC(N)=C1 D76074 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.189 C#CCC1=CC=CC(OC)=C1 D75650 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.189 COC1=CN=CC(\C=N\O)=C1 D74375 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.189 COC1=NC(CCN)=CC=C1 D77536 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.266 CNC1=CC=CC(B(O)O)=C1 D74781 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.266 COC1=CC(C(F)F)=NC=C1 C91304 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.266 COC1=CC([C@H](C)N)=NC=C1 90527 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.266 COC1=CN=CC([C@H](C)N)=C1 Y13929 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12186 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.267 COC1=C(I)C(C#N)=CN=C1 D74402 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.280 COC1=C(S)C=CC(C#N)=C1 C91011 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.280 COC1=CC(CCl)=C(Br)C=N1 54626 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.280 COC1=NC(CO)=C(N)C=C1 AT21793 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.14 COC1=CSC=C1CN C92311 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.4 CC1=CC(I)=CN=C1 D76269 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.2 C#CC1=C(F)C(C)=CC=C1 AT26741 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.2 CCN1C=CC=C(O)C1=O AT19248 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.2 COC1=C(I)C(N)=CN=C1 D74406 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.8 COC1=CC(Br)=CC(F)=N1 W18470 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.30 COC1=C(F)C=CC(F)=N1 AT14289 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.30 COC1=C(N)C=CC(I)=N1 AT11695 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.176 COC1=CC(I)=C(N)C=N1 C10061 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.176 COC1=NC(C)=C(F)C=C1 C74931 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|1,1,0]=4 60 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.258 COC1=NSC(OC)=C1I AT21072 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.58 COC1=CC(OC)=NC(C=O)=N1 P10818 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.235 COC1=C(Br)C(C#N)=CC(F)=C1 AT11354 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.235 COC1=C(C)C(C#N)=CC(F)=C1 AT11355 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.235 COC1=C(N)C(C#N)=CC(F)=C1 AT11352 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.235 COC1=NC(Cl)=NC(OC)=C1N D73934 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.300 COC1=CC(Br)=C(N)C(C=O)=C1 AT22202 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.278 CCOC1=CC=NC(OCC)=N1 D76948 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.279 CN(C)C1=CC=CC(CCO)=C1 D75796 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.286 COC1=C(F)C=CC(CCN)=C1 AT23332 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.382 C#CCCC1=CC=CC(OC)=C1 D75649 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.382 COC1=NC(CCCO)=CC=C1 AT22971 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=N1 Y12188 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.435 COC(=O)C1=NN=CC(OC)=C1 F31234 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.435 COC1=NC([C@@H](N)CO)=CC=C1 Y12210 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.435 COC1=NC([C@@H](N)CO)=CC=C1 Y12211 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.56 COC1=C(F)C=NC(C(C)=O)=C1 AT26885 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.440 COC1=C(F)C([C@H](C)N)=CC=C1 AT25608 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.453 COC1=CC([C@H](C)N)=C(Br)C=C1 C92017 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C11952 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.654 COC1=C(F)C(C#N)=C(Br)C=C1 AT25540 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.654 COC1=C(F)C(CN)=C(Br)C=C1 AT25621 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.654 COC1=C(F)C(CO)=C(Br)C=C1 AT25620 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.654 COC1=C(I)C(C=O)=C(I)C=C1 AT18555 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.1879 CCC1=CC=CC(CC)=C1CN D73989 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.1879 CCC1=CC=CC(OC)=C1CO AT24260 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.78 COC1=C(C#N)C=CC(CBr)=C1 E10134 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.78 COC1=C(CN)C=CC(C#N)=C1 D86042 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.78 COC1=CC(CBr)=C(CBr)C=C1 D87804 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.78 COC1=CC(OC)=C(C=O)C=N1 97683 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.449 CCC1=C(Br)C=C(F)C(OC)=C1 57978 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 E70253 [0,2,0,0,0,0|2,0,0]=4 93 B12R2.44 CSC1=CC2=C(C=C1)CNC2 84321 [0,1,0,1,0,0|1,1,0]=4 94 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10546 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 70904 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.1 COC1=CC(Br)=CS1 P19567 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.1 COC1=NOC(O)=C1 AT19567 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,0,0,0,1,1|2,0,0]=4 99 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [0,0,0,0,1,1|1,0,1]=4