0 B9R1.35 NC1CC=C(C(=O)O)C1 F1967-2233 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C(O)C1=CC=C(I)O1 F0848-0308 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 C=CC1=CN(C)N=C1 F2147-6875 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.1 O=CC1=CC(Br)=NO1 F1913-7187 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.7 CC(=O)C1=CSN=N1 F8885-7893 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 CC(=O)C1=NOC=C1 F2147-8062 [1,0,0,0,0,0|2,1,0]=4 6 B8R1.7 FC(F)C1=CSC=C1 F1913-5798 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.7 O=C(O)C1=CCCO1 F8889-5190 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.14 NNC(=O)C1=CSC(N)=N1 F8883-5994 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.31 C#CC1=CC(C(=O)O)=NO1 F2147-9775 [0,1,0,0,0,0|1,1,1]=4 10 B10R1.31 C#CC1=CSC(C(=O)O)=C1 F2167-2856 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.31 CCN1C=NC(C(=O)O)=C1 F8886-3807 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.31 NCC1=CC(C(=O)O)=NO1 F8888-6503 [0,1,0,0,0,0|1,1,0]=3 13 B10R1.31 NCC1=CC(C(=O)O)=NO1 F8889-3435 [0,1,0,0,0,0|1,1,0]=3 14 B10R1.31 NCC1=NC(C(=O)O)=CO1 F1901-0234 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.31 NCC1=NC=C(C(=O)O)N1 F9995-2668 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.59 CC1=NC(C)=C(C(=O)Cl)S1 F2190-0144 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.59 CN1C=C(C(=O)O)C(Cl)=N1 F8880-2102 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.59 CN1N=C(Br)C=C1C(=O)O F8888-7061 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.59 O=C(O)C1=C(Br)SC(Cl)=N1 F2158-0663 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=N1 F2158-0661 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.194 CC1=C(F)C(C(=O)O)=NN1 F8888-8005 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.8 CSC\C=C(/Br)C(=O)O F1913-6624 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.8 CSC\C=C(/F)C(=O)O F1913-6625 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.13 C=C(F)C1=CC=C(C)C=C1 F1967-2979 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F2147-5291 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.54 NC1=NC=C(CC(=O)O)S1 F1913-3635 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.113 CC1=NC(C(=O)O)=NC=C1 F1912-0121 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.113 CC1=NN=CC(C(=O)O)=C1 F1967-2909 [0,0,0,0,0,1|1,0,0]=2 29 B7R0.4 C\C=C\C=C/C(=O)O F2191-0241 [1,0,1,0,0,0|1,0,0]=3 30 B9R1.21 CCC1=CC(C=O)=CS1 F2147-5372 [1,1,0,0,0,0|0,0,0]=2 31 B9R1.21 CCC1=CC(CN)=CS1 F8885-7688 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.21 CCC1=CC(CO)=CS1 F2147-5367 [1,1,0,0,0,0|0,0,1]=3 33 B9R1.21 COC1=CC(C=O)=NN1 F1913-1788 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.21 O=CC1=CC=C(CBr)O1 F1913-1504 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.22 CC1=CC(C=O)=C(C)O1 F2148-0238 [1,1,0,0,0,0|0,1,0]=3 36 B9R1.132 O=CC1=CSC(Cl)=C1Br F1913-5800 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.11 O=C(CCl)C1=CSC=C1 F8884-5399 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.41 O=C(O)C1=NOC=C1Br F2147-8096 [1,1,0,0,0,0|1,1,0]=4 39 B11R1.3 C#CC1=CN=C(C(=O)O)C=N1 F2197-2466 [0,1,0,0,0,1|1,0,1]=4 40 B11R1.3 CCC1=CN=C(C(=O)O)N=C1 F1903-9866 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.3 COC1=CN=C(C(=O)O)N=C1 F1913-3654 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F0001-2151 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.21 CC1=CC(C(=O)O)=NC=C1F F1904-6297 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.21 O=C(O)C1=CC(O)=C(Br)N=C1 F1957-0118 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.166 CC1=CC(F)=CN=C1C(=O)O F1904-6295 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 F1904-6296 [0,1,0,0,0,1|1,0,0]=3 47 B11R1.43 CNC1=NC=C(CC(=O)O)S1 F1913-3636 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.74 O=C(O)C1=CC(Br)=CC(S)=C1 F8885-4537 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 F1967-5684 [0,1,0,0,0,1|1,0,0]=3 50 B11R1.159 CC1=C(F)C(C(=O)O)=NC=N1 F1903-0418 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.159 CC1=C(S)C(C(=O)O)=CC=C1 F1904-0032 [0,1,0,0,0,1|1,0,0]=3 52 B11R1.159 CC1=NN=CC(C(=O)O)=C1C F1967-2910 [0,1,0,0,0,1|1,0,0]=3 53 B11R1.159 O=C(O)C1=C(F)C(O)=NC=N1 F1967-2536 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.159 O=C(O)C1=C(O)C(=O)NC=N1 F1913-2494 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.159 O=C(O)C1=C(O)C(O)=NC=N1 F1913-2495 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.167 CC1=NC(C(=O)O)=C(O)C=N1 F2147-2684 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.266 C#CC1=CN=CC(C(=O)O)=C1 F2167-2825 [0,1,0,0,0,1|1,0,1]=4 58 B11R1.266 CCC1=CC(C(=O)O)=NC=N1 F1967-5667 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.266 CNC1=NC(C(=O)O)=NC=C1 F1904-2292 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.266 CNC1=NC=CC(C(=O)O)=N1 F1904-3723 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.266 COC1=NC(C(=O)O)=NC=C1 F1904-5169 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.44 CCC1=NC(C(=O)OC)=CN1 F8882-9295 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.44 COC(=O)C1=COC(CN)=N1 F1901-0233 [0,2,0,0,0,0|1,1,0]=4 64 B11R1.865 COC(=O)C1=C(O)C(C)=CS1 F2147-4604 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.50 CC1=C(C(=O)O)C=C(C=O)N1 F2147-2088 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.50 CCC1=CC(C(=O)O)=C(Br)S1 F8885-8099 [0,2,0,0,0,0|0,0,0]=2 67 B11R1.50 CCC1=CC(C(=O)O)=C(Cl)S1 F8885-7773 [0,2,0,0,0,0|0,0,0]=2 68 B11R1.124 C#CCN1C=C(C(=O)O)C=N1 F8882-2273 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.124 COCC1=CC(C(=O)O)=NO1 F8889-2657 [0,2,0,0,0,0|1,1,0]=4 70 B11R1.175 CC(=O)C1=CC(C(=O)O)=NN1 F1913-1824 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.175 CC(C)C1=NC(C(=O)O)=CN1 F1900-4159 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.175 O=C(O)C1=NOC(C(F)F)=C1 F1913-0096 [0,2,0,0,0,0|1,1,0]=4 73 B11R1.672 CC1=C(Br)SC(C(=O)O)=C1O F2147-4611 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.49 CSC1=NN(C)C=C1C(=O)O F8880-5024 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.673 CC(=O)C1=C(C)OC(C)=C1C F8885-7699 [0,2,0,0,0,0|1,1,0]=4 76 B11R1.673 CC1=C(C)C(C(N)=O)=C(N)O1 F1913-0585 [0,2,0,0,0,0|1,1,0]=4 77 B11R1.64 CN1N=CC(C(=O)O)=C1C#N F8888-3591 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.64 COC1=C(C(=O)O)SC=C1C F8889-7415 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.18 O=C(O)C1=CCC1 F8889-7863 [1,0,0,0,1,0|0,0,2]=4 80 B9R1.2 CC1=NC=NC(CO)=C1 F8880-6875 [1,0,0,0,0,1|1,0,1]=4 81 B9R1.13 O=C(O)CC1=CN=CS1 F2100-0037 [1,0,0,0,0,1|2,0,0]=4 82 B9R1.13 O=C(O)CC1=CON=C1 F1913-6361 [1,0,0,0,0,1|1,1,0]=4