0 B7R1.1 C#CC1=CC=CO1 4045318 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.1 C1=NC=C(CO)S1 4050354 [0,0,0,0,0,0|1,1,2]=4 2 B7R1.1 CCN1C=CC=N1 3020409 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 ClCC1=CN=CS1 4089081 [0,0,0,0,0,0|2,1,1]=4 4 B7R1.1 ClCC1=CNC=N1 4089538 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 ClCC1=CSC=N1 4089258 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 ClCC1=NC=CS1 4089816 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 NCC1=CC=NN1 4088066 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 NCC1=NC=CN1 4089830 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 NCC1=NN=CO1 4042037 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 NCC1=NOC=C1 2102253 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 NCC1=NOC=C1 4088492 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.1 O=CC1=CC=NS1 4030495 [0,0,0,0,0,0|1,1,0]=2 13 B7R1.1 O=CC1=CN=NN1 4301610 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 O=CC1=CSN=C1 4030020 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 OCC1=NC=NO1 4043622 [0,0,0,0,0,0|2,0,2]=4 16 B6R1.2 BrC1=CC=NS1 4047938 [1,0,0,0,0,0|2,1,0]=4 17 B6R1.2 IC1=CC=NS1 4075854 [1,0,0,0,0,0|2,1,0]=4 18 B6R1.2 NC1=NNC=C1 3002058 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 CC1=CNC(C=O)=C1 4036719 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.1 CC1=NC(C=O)=CO1 4038328 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.1 CC1=NC=C(C=O)S1 4301186 [0,1,0,0,0,0|1,1,0]=3 22 B8R1.1 CN1C=C(C=O)C=N1 4301129 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.7 N=C(N)C1=CC=CO1 4088503 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.7 O=[N+]([O-])C1=NNC=C1 3001567 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.8 CNCC1=CC=CS1 4087952 [0,1,0,0,0,0|1,1,1]=4 26 B8R1.8 NCCC1=CC=CO1 4087953 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.8 NCCC1=CC=CS1 3020071 [0,1,0,0,0,0|1,1,1]=4 28 B8R1.8 NNCC1=CC=CS1 4088418 [0,1,0,0,0,0|1,1,1]=4 29 B8R1.8 OCCC1=CC=CO1 4039978 [0,1,0,0,0,0|0,0,2]=3 30 B8R1.11 CC1=C(CN)SC=C1 4088805 [0,1,0,0,0,0|1,1,1]=4 31 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,0,0,0,0,1|2,0,1]=4 32 B8R1.2 NCC1=NC=NC=C1 4102725 [0,0,0,0,0,1|2,0,1]=4 33 B8R1.2 NNC1=CC=CN=C1 4090882 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.2 NNC1=CC=NC=C1 4089280 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.2 O=CC1=CC=NN=C1 4015481 [0,0,0,0,0,1|2,0,0]=3 36 B7R1.2 CC1=COC(C)=C1 4091270 [1,1,0,0,0,0|0,0,1]=3 37 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [0,1,0,0,0,1|1,0,0]=3 38 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,1,0,0,0,1|1,0,0]=3 39 B9R1.6 N=C(N)C1=NC=CC=N1 4089148 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.15 CC1=NC=CN=C1C=O 4030187 [0,1,0,0,0,1|1,0,0]=3 41 B9R1.21 CCN1C=CC(C=O)=N1 4030460 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.35 CC1=CC=C(B(O)O)O1 3200979 [0,2,0,0,0,0|1,0,1]=4 44 B9R1.35 CC1=CC=C(B(O)O)O1 4088928 [0,2,0,0,0,0|1,0,1]=4 45 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,2,0,0,0,0|1,0,0]=3 46 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,2,0,0,0,0|0,1,0]=3 47 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.35 NC(=O)C1=NNC(N)=C1 4089407 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,2,0,0,0,0|0,1,0]=3 53 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,2,0,0,0,0|0,1,0]=3 54 B9R1.11 N\C(=N/O)C1=CC=CO1 4088090 [0,2,0,0,0,0|0,0,1]=3 55 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,2,0,0,0,0|0,1,0]=3 58 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.41 NC(=O)C1=C(N)C=NN1 4087934 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.41 NC(=O)C1=C(N)C=NN1 4089719 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.27 CC1=C(C=O)N(C)N=C1 4028990 [0,2,0,0,0,0|2,0,0]=4