0 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.7 N=C(N)C1=CC=CO1 4088503 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 O=[N+]([O-])C1=NNC=C1 3001567 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 C#CC1=CC=CO1 4045318 [1,0,0,0,0,0|0,0,2]=3 7 B7R1.1 CCN1C=CC=N1 3020409 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 O=CC1=CC=NS1 4030495 [1,0,0,0,0,0|1,1,0]=3 9 B7R1.1 O=CC1=CN=NN1 4301610 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 O=CC1=CSN=C1 4030020 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,1,0,0,0,0|0,1,0]=2 12 B9R1.11 COC(=O)C1C=CCN1 4028931 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.11 N\C(=N/O)C1=CC=CO1 4088090 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.35 CC1=CC=C(B(O)O)O1 3200979 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 CC1=CC=C(B(O)O)O1 4088928 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,1,0,0,0,0|1,1,0]=3 19 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.35 NC(=O)C1=NNC(N)=C1 4089407 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,1,0,0,0,0|1,1,0]=3 25 B9R1.41 CC(=O)C1=CN=NN1C 4110788 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.41 NC(=O)C1=C(N)C=NN1 4087934 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.41 NC(=O)C1=C(N)C=NN1 4089719 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,0,1|1,0,0]=2 35 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.6 N=C(N)C1=NC=CC=N1 4089148 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,1,0,0,0,0|1,0,0]=3 40 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,1,0,0,0,0|1,1,0]=4 42 B8R1.8 CNCC1=CC=CS1 4087952 [1,1,0,0,0,0|0,1,1]=4 43 B8R1.8 NCCC1=CC=CO1 4087953 [1,1,0,0,0,0|0,0,1]=3 44 B8R1.8 NCCC1=CC=CS1 3020071 [1,1,0,0,0,0|0,1,1]=4 45 B8R1.8 OCCC1=CC=CO1 4039978 [1,1,0,0,0,0|0,0,1]=3 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|1,1,0]=4 50 B10R1.11 CCOC(=O)C1=NNC=C1 3002952 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.14 CNC(=O)C1=NNC(N)=C1 4087937 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.14 COC(=O)C1=NNC(N)=C1 4088532 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.14 NNC(=O)C1=CC=C(Br)O1 3002302 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.149 COC(=O)C1=C(Br)C=NN1 3001838 [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 B10R1.149 COC(=O)C1=C(N)SC=C1 3001619 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4089989 [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 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.39 CCN1N=CC=C1C(C)=O 4030142 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.2 O=CC1=CC=NN=C1 4015481 [1,0,0,0,0,1|2,0,0]=4 65 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,2|1,0,0]=3