0 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,0,0,0,0,0|1,0,2]=4 1 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.1 COC(=O)\C=C\CC(C)C 2323-1-X4 [0,1,0,0,0,0|0,0,2]=3 3 B9R0.53 CC(C)=CC(=O)C=C(C)C 2317-1-08 [0,1,0,0,0,0|1,0,0]=2 4 B9R1.35 CC(=O)C1=CC(Br)=CS1 6H17-9-01 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.35 CC(=O)C1=CC=C(Br)S1 6H17-9-02 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.35 CC(=O)C1=CC=C(C)S1 6H66-1-X6 [0,0,0,1,0,0|1,0,0]=2 7 B9R1.35 CC(=O)C1=CC=C(Cl)S1 6H17-5-X0 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.35 CC(=O)C1=CSC(Cl)=C1 6H17-5-01 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 CC1=CC(C(=O)O)=CS1 6H21-1-X6 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 CC1=CC=C(C(=O)O)O1 2H21-1-29 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CC1=CC=C(C(=O)O)S1 6H21-1-01 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.35 CC1=CN=C(C(=O)O)S1 P311-A-40 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 CC1=CSC(C(=O)O)=C1 6H21-1-X9 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 CC1=CSC(C(C)C)=N1 7H70-1-46 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 CC1=NC(C(=O)O)=CO1 4H21-1-79 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC1=NC(C(=O)O)=CS1 P612-A-32 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 CC1=NC(C(N)=O)=CS1 8H48-1-X2 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 CC1=NC=C(C(=O)O)S1 8H21-1-X9 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CN1C=CC(C(=O)O)=N1 4H21-1-K0 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 CN1C=CC(C(N)=O)=N1 4H48-1-0AH [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 6H16-5-03 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.35 O=C(O)C1=CC=C(Br)S1 6H21-9-X7 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.35 O=C(O)C1=CC=C(Cl)S1 6H21-5-X6 [0,0,0,1,0,0|3,0,0]=4 24 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,0,0,0,1,0|1,0,2]=4 25 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,0,0,0,1,0|0,0,1]=2 26 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,0,0,0,1,0|3,0,0]=4 27 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,0,0,0,1,0|1,0,1]=3 28 B7R0.6 O=C(O)\C=C/C(=O)O 2321-1-07 [0,0,0,0,1,0|3,0,0]=4 29 B6R0.4 C=CCOC(C)=O 2324-1-08 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.5 CCOC(=O)C=C(C)C 2324-1-49 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.9 COC(=O)\C=C\C(C)C 2323-1-X3 [1,1,0,0,0,0|1,0,1]=4 32 B8R1.1 CC1=CC=C(C=O)S1 6H15-1-04 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.1 CC1=CSC(C=O)=C1 6H15-1-X4 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.1 CC1=CSC(C=O)=N1 8H70-1-M1 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.1 CC1=NC(C=O)=CN1 4H15-1-Q4 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.1 CC1=NC(C=O)=CO1 4H15-1-21 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.1 CC1=NC(C=O)=CS1 8H15-1-X1 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.1 CC1=NC=C(C=O)S1 8H15-1-X5 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.1 CN1C=CC(C=O)=N1 4H15-1-P4 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.1 O=CC1=CC=C(Br)O1 2H15-9-X2 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.1 O=CC1=CC=C(Br)S1 6H66-9-01 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 O=CC1=CC=C(Cl)S1 6H15-5-X0 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.1 O=CC1=CC=C(I)O1 2H15-H-X0 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.4 CC1=CC(F)=CC=C1 1700-3-03 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.4 CC1=CC=CC(Br)=C1 1700-9-V3 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.4 CC1=CC=CC(Br)=N1 P311-A-80 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.4 CC1=CC=CC(C)=N1 3H32-1-X2 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.4 CC1=CC=CC(Cl)=N1 3H32-5-T0 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.4 CC1=CC=CC(F)=N1 3H32-3-16 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 CC1=CC=CC(I)=C1 1600-H-X3 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.4 CC1=CC=CC(N)=C1 3730-1-X2 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.4 CC1=CC=CC(N)=N1 3H30-1-T6 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 CC1=CC=CC(O)=N1 4H01-1-68 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.4 CC1=CC=CC(S)=C1 5761-1-X8 [1,0,0,1,0,0|0,1,1]=4 55 B8R1.4 CC1=CC=NC(C)=C1 3H32-1-6U [1,0,0,1,0,0|1,0,1]=4 56 B8R1.4 CC1=CN=CC(C)=C1 3H32-1-J1 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.7 CC(=O)C1=CC=CN1 4H17-1-Z4 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.7 CC(=O)C1=CC=CO1 2H17-1-X1 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.7 CC(=O)C1=CC=CS1 6H66-1-X9 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 CC(=O)C1=CC=NN1 4H17-5-X2 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.7 CC(=O)C1=CNC=C1 4H17-1-65 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.7 CC(=O)C1=CSC=C1 6H17-1-X0 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.7 CC(C)=C1C=CC=C1 1400-1-13 [1,0,0,1,0,0|0,0,1]=3 64 B8R1.7 NC(=O)C1=CC=CN1 4H48-1-5L [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 NC(=O)C1=CC=CS1 8H48-1-00 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.7 O=C(Cl)C1=CC=CO1 2H16-5-X2 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.7 O=C(Cl)C1=CC=CS1 6H16-5-X0 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [1,0,0,1,0,0|2,0,0]=4 69 B8R1.7 O=C(O)C1=CC=CO1 2H21-1-Y1 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.7 O=C(O)C1=CC=CS1 6H21-1-02 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.3 CC1=NNC(=O)C=C1 4H01-1-0P [0,0,0,1,1,0|2,0,0]=4 72 B8R1.3 CC1=NNC(=O)C=C1 4H17-1-87 [0,0,0,1,1,0|2,0,0]=4 73 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,0,0,1,1,0|2,0,0]=4 74 B10R1.113 CC(=O)C1=CC(C)=CC=N1 4H56-1-574 [0,0,0,1,0,1|0,0,1]=3 75 B10R1.113 CC(=O)C1=CC(F)=CC=C1 2617-3-03 [0,0,0,1,0,1|1,0,1]=4 76 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 2617-9-Y0 [0,0,0,1,0,1|1,0,1]=4 77 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 4H17-9-X3 [0,0,0,1,0,1|2,0,0]=4 78 B10R1.113 CC(=O)C1=CC=CC(C)=N1 4H17-1-Y0 [0,0,0,1,0,1|1,0,0]=3 79 B10R1.113 CC(=O)C1=CC=CC(I)=C1 2617-H-01 [0,0,0,1,0,1|1,0,1]=4 80 B10R1.113 CC(=O)C1=CC=CC(N)=C1 4656-1-70 [0,0,0,1,0,1|1,0,1]=4 81 B10R1.113 CC(=O)C1=CC=CC(O)=C1 2629-1-03 [0,0,0,1,0,1|1,0,1]=4 82 B10R1.113 CC(=O)C1=CC=NC(Cl)=C1 4H17-5-X1 [0,0,0,1,0,1|1,0,1]=4 83 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 4H56-9-1J [0,0,0,1,0,1|1,0,1]=4 84 B10R1.113 CC(=O)C1=CN=CC(F)=C1 4H17-3-1T [0,0,0,1,0,1|1,0,1]=4 85 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 4H17-5-1R [0,0,0,1,0,1|1,0,1]=4 86 B10R1.113 CC1=CC(C(=O)O)=CC=N1 P612-A-33 [0,0,0,1,0,1|1,0,1]=4 87 B10R1.113 CC1=CC=CC(C(=O)O)=C1 2721-1-1P [0,0,0,1,0,1|1,0,1]=4 88 B10R1.113 CC1=CC=NC(C(=O)O)=C1 4H56-1-2U [0,0,0,1,0,1|1,0,1]=4 89 B10R1.113 CC1=CN=CC(C(=O)O)=C1 4H21-1-45 [0,0,0,1,0,1|1,0,1]=4 90 B10R1.113 CC1=NC(C(=O)O)=CN=C1 4H21-1-1Q [0,0,0,1,0,1|2,0,0]=4 91 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 2617-9-04 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.13 CC(=O)C1=CC=C(Br)C=N1 4H17-9-X4 [0,1,0,1,0,0|1,0,1]=4 93 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 4H56-9-U3 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.13 CC(=O)C1=CC=C(C)C=N1 4H56-1-575 [0,1,0,1,0,0|0,0,1]=3 95 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 4H17-7-X3 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.13 CC(=O)C1=CC=C(F)C=C1 2617-3-04 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.13 CC(=O)C1=CC=C(F)C=C1 2617-3-04T [0,1,0,1,0,0|1,0,1]=4 98 B10R1.13 CC(=O)C1=CC=C(I)C=C1 2617-H-04 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.13 CC(=O)C1=CC=C(N)C=C1 4656-1-V6 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.13 CC(=O)C1=CC=C(O)C=C1 2620-1-X8 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.13 CC(=O)C1=CC=C(O)N=C1 4H17-1-9E [0,1,0,1,0,0|1,0,1]=4 102 B10R1.13 CC(=O)C1=CN=C(F)C=C1 4H17-3-0T [0,1,0,1,0,0|1,0,1]=4 103 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 2716-5-15 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.13 CC1=CC=C(C(=O)O)C=C1 2721-1-80 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.13 CC1=CC=C(C(=O)O)C=N1 4H21-1-N3 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.13 CC1=CC=C(C(=O)O)N=C1 4H21-1-46 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.13 CC1=CC=C(C(C)C)C=C1 9744-5-01 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.13 CC1=CC=C(C(N)=O)C=N1 4H48-1-7U [0,1,0,1,0,0|1,0,1]=4 109 B10R1.13 CC1=CC=C(S(C)=O)C=C1 6765-1-X0 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.14 CC1=CC=C(C(=O)NN)S1 8H56-1-02 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.14 CCC(=O)C1=CC=C(C)O1 2H17-1-0Y [0,1,0,1,0,0|1,0,0]=3 112 B10R1.14 COC(=O)C1=CC(C)=CS1 6H66-1-Y2 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.14 COC(=O)C1=CC=C(Br)O1 2H23-9-06 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.14 COC(=O)C1=CC=C(Br)S1 6H66-9-11 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.14 COC(=O)C1=CC=C(C)N1 4H23-1-CF [0,1,0,1,0,0|1,0,0]=3 116 B10R1.14 COC(=O)C1=CC=C(C)S1 6H66-1-48 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 6H17-D-X1 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.31 CC(=O)C1=CC=C(C=O)S1 6H66-1-X7 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.31 CSC1=CC=C(C(=O)O)S1 6H66-1-37 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.31 O=C(O)C1=CC=C(CO)O1 2H29-1-38 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 4H17-1-2Q [0,1,0,1,0,0|1,0,0]=3 122 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 4H56-1-E4 [0,1,0,1,0,0|2,0,0]=4 123 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,0,0,0,2,0|1,0,1]=4 124 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,0,0,0,2,0|0,0,2]=4 125 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,0,0,0,2,0|1,0,0]=3 126 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,0,0,0,2,0|1,0,0]=3 127 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,0,0,0,2,0|1,0,0]=3