0 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC1=CC=C(B(O)O)O1 3200979 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.35 CC1=CC=C(B(O)O)O1 4088928 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.35 CC1=NNC(C(=O)O)=N1 4003911 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CN1N=CC(C(=O)O)=N1 4110789 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4091079 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 N=C(N)C1=CC=CO1 4088503 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.14 NNC(=O)C1=CC=C(Br)O1 3002302 [0,1,0,0,0,0|1,2,0]=4 18 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.31 CCC1=NC(C(=O)O)=CO1 3002816 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.31 CNC1=NC(C(=O)O)=CS1 4088392 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,0,0|1,1,0]=3 23 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,0,0|1,1,0]=3 24 B10R1.55 O=S(=O)(Cl)C1=CC=C(Br)S1 3020259 [0,1,0,0,0,0|1,1,1]=4 25 B10R1.58 CC1=CC(C(=O)O)=NN1C 3002387 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.58 CN1N=C(C(=O)O)N=C1Cl 4087584 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 4029525 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 4035239 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.54 CN1C=CC(CC(=O)O)=C1 4400835 [0,0,0,0,0,1|3,0,0]=4 33 B7R1.1 C1=NC=C(CO)S1 4050354 [2,0,0,0,0,0|1,0,1]=4 34 B7R1.1 O=CC1=CC=NS1 4030495 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.11 N\C(=N/O)C1=CC=CO1 4088090 [1,1,0,0,0,0|1,1,0]=4 37 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [1,1,0,0,0,0|1,1,0]=4 39 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [1,1,0,0,0,0|0,0,0]=2 40 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 4019250 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.44 CCC1=CC=C(C(=O)NN)S1 3002929 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.44 COC(=O)C1=CC=C(CCl)O1 3002364 [0,2,0,0,0,0|0,1,0]=3 49 B11R1.44 COC(=O)C1=CC=C(CO)O1 3001847 [0,2,0,0,0,0|1,1,0]=4 50 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 4142897 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.226 COC(=O)C1=CC(Br)=C(C)N1 4085415 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 4090563 [0,2,0,0,0,0|1,1,0]=4 53 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 3013956 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.175 NC(=O)C1=CC=C(C(=O)O)S1 6969221 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.49 COC1=C(C(=O)O)SC(C)=C1 4041180 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,0,0,0,0,1|1,0,1]=4 57 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,0,0,0,0,2|2,0,0]=4