0 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 N=C(N)C1=NC=CC=N1 4089148 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 BrCC1=CN=CC=C1 4090400 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.2 NNC1=CC=CN=C1 4090882 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 O=CC1=CC=NN=C1 4015481 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.15 NNC(=O)C1=NC=CN=C1 3002804 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,0,0,0,1,0|2,0,1]=4 17 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,0,0,0,1,0|2,0,1]=4 18 B8R1.7 CC(N)C1=NC=NN1 4089755 [0,0,0,0,1,0|2,0,1]=4 19 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,0,0,0,1,0|2,0,1]=4 20 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.7 N=C(N)C1=CC=CO1 4088503 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.7 O=[N+]([O-])C1=CNN=C1 3002598 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.7 O=[N+]([O-])C1=NNC=C1 3001567 [0,0,0,0,1,0|3,0,0]=4 24 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,1|1,0,0]=2 25 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,0,1|3,0,0]=4 28 B7R1.3 ClC1=CN=CC=N1 3020065 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.15 CC1=NC=CN=C1C=O 4030187 [1,1,0,0,0,0|0,0,0]=2 33 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,1,0,0,1,0|1,0,0]=3 35 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,1,0,0,1,0|2,0,0]=4 36 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,1,0,0,1,0|2,0,0]=4 37 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,1,0,0,1,0|1,0,1]=4 38 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,1,0,0,1,0|1,0,1]=4 39 B9R1.35 CC1=NNC(C(=O)O)=N1 4003911 [0,1,0,0,1,0|2,0,0]=4 40 B9R1.35 CN1N=CC(C(=O)O)=N1 4110789 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,1,0,0,1,0|2,0,0]=4 42 B9R1.35 NC(=O)C1=NNC(N)=C1 4089407 [0,1,0,0,1,0|2,0,0]=4 43 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,1,0,0,1,0|2,0,0]=4 44 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4091079 [0,1,0,0,1,0|2,0,0]=4 45 B9R1.41 CC(=O)C1=CN=NN1C 4110788 [0,1,0,0,1,0|1,0,1]=4 46 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,1,0,0,1,0|2,0,0]=4 49 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,1,0,0,1,0|1,0,1]=4 50 B9R1.41 NC(=O)C1=C(N)C=NN1 4087934 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.41 NC(=O)C1=C(N)C=NN1 4089719 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,1,0,0,1,0|2,0,0]=4 53 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.157 CN(C)CC1=NC(Cl)=CN=C1 4026992 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4090304 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.87 CS(=O)(=O)C1=CC=CN=C1Br 4058285 [0,2,0,0,0,0|2,0,0]=4 61 B11R2.10 CC1=NC2=CC=CN=C2N1 4089154 [0,0,0,1,0,1|2,0,0]=4 62 B7R1.1 CCN1C=CC=N1 3020409 [1,0,0,0,1,0|1,0,1]=4 63 B7R1.1 O=CC1=CC=NS1 4030495 [1,0,0,0,1,0|1,0,0]=3 64 B7R1.1 O=CC1=CN=NN1 4301610 [1,0,0,0,1,0|1,0,1]=4 65 B7R1.1 O=CC1=CSN=C1 4030020 [1,0,0,0,1,0|1,0,0]=3 66 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,0,0,0,0,2|2,0,0]=4