0 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 4041506 [0,0,0,0,0,0|1,1,2]=4 1 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=N1 4036054 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 4031107 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 4030068 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.10 ClC1=NOC(C2=CC=CC=C2)=N1 4039921 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 NC1=CC(C2=CC=NC=C2)=NO1 4042602 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 4002340 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.10 NC1=NC(C2=CC=CC=N2)=CS1 4027446 [0,0,0,0,0,0|1,1,2]=4 8 B13R2.10 NC1=NC(C2=CC=CN=C2)=CS1 4027852 [0,0,0,0,0,0|1,1,2]=4 9 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 4043904 [0,0,0,0,0,0|1,1,2]=4 10 B13R2.10 NC1=NC(C2=CC=NC=C2)=NN1 4014290 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.10 NC1=NC(C2=CN=CC=C2)=NN1 4006355 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 5217756 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.10 NC1CCN(C2=CC=CC=C2)C1 4015855 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 O=C1CCN(C2=CC=CC=C2)C1 4015909 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 4010221 [0,0,0,0,0,0|2,0,2]=4 16 B14R2.8 ClCC1=NC(C2=CC=CC=C2)=NO1 4017587 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 4087960 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 4087961 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 4101198 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8 NCC1=COC(C2=CC=CC=C2)=N1 4015598 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8 NCC1=COC(C2=CC=CC=C2)=N1 4088139 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8 NCC1=CSC(C2=CC=CC=C2)=N1 4101065 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 4090207 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 4102650 [0,1,0,0,0,0|1,0,1]=3 25 B14R2.8 NCC1=NC(C2=CC=CC=N2)=NO1 4012153 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8 NCC1=NC(C2=CC=CN=C2)=NO1 4012155 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.8 NCC1=NOC(C2=CC=CC=C2)=N1 4010308 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.8 OCC1=NC(C2=CC=CC=C2)=NO1 4032829 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.20 CC1=CC=C(C2=NNC(N)=N2)C=C1 5304233 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.20 CC1=NC(C2=CC=C(O)C=C2)=NO1 4026890 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.20 NC1=NC(C2=CC=C(F)C=C2)=CS1 4101804 [0,1,0,0,0,0|0,1,2]=4 32 B14R2.260 CN1N=C(C2=CC=CC=C2)N=C1N 5304482 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.4514 CC1=C(N)ON=C1C2=CC=CC=C2 4010205 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,0,1,0,0,0|1,0,1]=3 35 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,0,1,0,0,0|1,0,1]=3 36 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,0,1,0,0,0|1,0,0]=2 38 B12R2.22 NC1CC(C2=CC=NC=C2)C1 4108210 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.22 NC1CC(C2=CN=CC=C2)C1 4108204 [0,0,0,0,1,0|2,0,1]=4 40 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,0,1,0|2,0,0]=3 41 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,0,1,0|1,0,1]=3 42 B14R2.19 NC1=NC(CC2=CC=CC=C2)=NN1 4015723 [0,0,0,0,0,1|2,0,1]=4 43 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=C1 4031721 [0,0,0,0,0,1|2,0,1]=4 44 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 4026758 [0,0,0,0,0,1|3,0,0]=4 45 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=N1 4031817 [0,0,0,0,0,1|1,0,2]=4 46 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.16 CC(N=C=O)C1=CC=CC=C1 4040282 [1,0,1,0,0,0|0,0,2]=4 48 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [1,0,1,0,0,0|1,0,1]=4 50 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4045080 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 4026266 [0,1,1,0,0,0|2,0,0]=4 52 B15R2.15 NCC1=NC(CC2=CC=CC=C2)=NO1 4002480 [0,1,0,0,0,1|1,0,1]=4 53 B15R2.297 O=C1CC(C(=O)C2=CC=CC=C2)CO1 9071210 [0,1,0,0,0,1|2,0,0]=4 54 B15R2.14 CC1=CC(C2=NOC(CN)=N2)=CC=C1 9015452 [0,2,0,0,0,0|1,0,1]=4 55 B15R2.59 CC(N)C1=NC(C2=CC=CC=C2)=NO1 4012078 [0,2,0,0,0,0|1,0,1]=4 56 B15R2.66 CNCC1=NC(C2=CC=CC=C2)=NO1 4090178 [0,2,0,0,0,0|1,0,1]=4 57 B15R2.66 CNCC1=NC(C2=CC=CC=C2)=NO1 4091217 [0,2,0,0,0,0|1,0,1]=4 58 B15R2.66 CNCC1=NC(C2=CC=CC=C2)=NO1 4102651 [0,2,0,0,0,0|1,0,1]=4 59 B15R2.66 NCCC1=NC(C2=CC=CC=C2)=NO1 4002484 [0,2,0,0,0,0|1,0,1]=4 60 B15R2.66 NCCC1=NC(C2=CC=CC=C2)=NO1 4108328 [0,2,0,0,0,0|1,0,1]=4 61 B15R2.275 CC1=CC=C(C2=NOC(CN)=N2)C=C1 4013180 [0,2,0,0,0,0|1,0,1]=4 62 B15R2.275 NCC1=NC(C2=CC=C(F)C=C2)=NO1 4032924 [0,2,0,0,0,0|1,0,1]=4 63 B15R2.2243 CC1=CC=CC=C1C2=NOC(CN)=N2 4013181 [0,2,0,0,0,0|1,0,1]=4 64 B15R2.2243 CC1=CC=CC=C1C2=NOC(CN)=N2 4088409 [0,2,0,0,0,0|1,0,1]=4 65 B15R2.2243 NCC1=NC(C2=C(Cl)C=CC=C2)=NO1 9024999 [0,2,0,0,0,0|1,0,1]=4 66 B15R2.2243 NCC1=NC(C2=CC=CC=C2F)=NO1 4033459 [0,2,0,0,0,0|1,0,1]=4 67 B13R2.2931 CCN1N=C(N)C2=C1C=CC=C2 4027795 [0,0,1,1,0,0|2,0,0]=4 68 B13R2.72 NC(=S)N1CCC2=C1C=CC=C2 4009979 [0,0,1,1,0,0|2,0,0]=4 69 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,0,1,0,1,0|2,0,0]=4 70 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,0,1,0,1,0|2,0,0]=4 71 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5301711 [0,0,1,0,0,1|2,0,0]=4