0 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(N)C1=NC=NN1 4089755 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.7 N=C(N)C1=CC=CO1 4088503 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.7 O=[N+]([O-])C1=NNC=C1 3001567 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 CCN1C=CC=N1 3020409 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 ClCC1=NC=CS1 4089816 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.1 NCC1=NC=CN1 4089830 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 O=CC1=CC=NS1 4030495 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.11 CCC(N)C1=NC=CS1 4090783 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.11 CNC(C)C1=NC=CS1 2102324 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.35 CC(C)C1=NC=C(Br)S1 4040489 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.35 CC1=CNC(C(C)N)=N1 4090866 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,1,0,0,0,0|2,1,0]=4 19 B9R1.35 CC1=NNC(C(=O)O)=N1 4003911 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.35 CN(C)C1=NC(Br)=NS1 4056874 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.35 NC(=O)C1=NNC(N)=C1 4089407 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4091079 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,0,1|1,0,0]=2 29 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.6 N=C(N)C1=NC=CC=N1 4089148 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,1,0,0,0,0|1,0,1]=4 33 B8R1.1 CC1=CSC(CCl)=N1 4089233 [1,1,0,0,0,0|1,0,1]=4 34 B8R1.1 CC1=CSC(NN)=N1 4089917 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.1 CCC1=NC=C(Br)S1 4041002 [1,1,0,0,0,0|0,0,1]=3 38 B8R1.1 CCC1=NC=C(Br)S1 4088439 [1,1,0,0,0,0|0,0,1]=3 39 B8R1.1 CNC1=NC(Br)=NS1 4059983 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.1 CNC1=NC=C(Br)S1 4039821 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.8 CNCC1=CC=CS1 4087952 [1,1,0,0,0,0|1,0,1]=4 42 B8R1.8 CNCC1=NC=CN1 4088413 [1,1,0,0,0,0|1,0,1]=4 43 B8R1.8 CNCC1=NC=CS1 4090726 [1,1,0,0,0,0|0,0,1]=3 44 B8R1.8 ClCCC1=NC=CN1 4090066 [1,1,0,0,0,0|1,0,1]=4 45 B8R1.8 NCCC1=CC=CS1 3020071 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.15 NNC(=O)C1=NC=CN=C1 3002804 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,1,0,0,0,1|1,0,0]=3 49 B10R1.27 NCC(=O)NC1=NC=CS1 4089279 [0,1,0,0,0,1|0,0,0]=2 50 B10R1.54 CC(=O)NC1=NNC(N)=N1 3001899 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.11 CCOC(=O)C1=NNC=C1 3002952 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.14 CNC(=O)C1=NNC(N)=C1 4087937 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.14 COC(=O)C1=NNC(N)=C1 4088532 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.14 COC(=O)C1=NNC(N)=N1 4009538 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.149 COC(=O)C1=C(C)NC=N1 4044514 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.31 CN(C)C1=NC(CN)=CS1 4089358 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.31 CN(C)C1=NC=C(C=O)S1 4013292 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.58 CC1=C(C)SC(C(C)N)=N1 4089031 [0,2,0,0,0,0|1,0,1]=4 59 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4089989 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.59 CC(=O)C1=NC(Br)=NN1C 4110690 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.59 CC(=O)C1=NN(C)C=C1Cl 4030700 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.2 O=CC1=CC=NN=C1 4015481 [1,0,0,0,0,1|2,0,0]=4 63 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,2|1,0,0]=3