0 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 N=C(N)C1=NC=CC=N1 4089148 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 CC1=C(NN)C=CN=C1 4088209 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 CC1=NC=CN=C1C=O 4030187 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.167 NC(=O)C1=C(Br)C=CC(N)=C1 4089536 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,1,0,0,0,0|1,0,2]=4 18 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.1 NC1=NN=C2C=CC=CN12 4087829 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,0,0,1,0,0|1,0,0]=2 21 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.41 NC(=O)C1=C(N)C=NN1 4087934 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.41 NC(=O)C1=C(N)C=NN1 4089719 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.2 NNC1=CC=CN=C1 4090882 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 NNC1=CC=NC=C1 4089280 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.15 NNC(=O)C1=NC=CN=C1 3002804 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.2 CC1=C(Cl)C=CC=C1NN 4088656 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.20 CNC1=NC=CC=C1C=O 4090184 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|0,0,1]=3 48 B12R1.151 CS(=O)(=O)NC1=CC=CC=C1O 9071985 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4090170 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.77 NNC(=O)C1=CC=CC=C1CO 4033429 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 4090986 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.195 CNS(=O)(=O)C1=C(N)C=CC=C1 4091100 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl 3015281 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.440 COC1=C(O)C(C(=O)O)=NC=C1 4063258 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.1703 CCC(=O)C1=C(N)C=C(Br)C=C1 5216238 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 3015284 [0,2,0,0,0,0|0,0,0]=2 58 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 4089864 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 4088127 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl 9071766 [0,2,0,0,0,0|2,0,0]=4 61 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,1,0,1|1,0,1]=4 62 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,1,0,1|1,0,1]=4 63 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,1,0,1|1,0,1]=4 64 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 4088279 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 4090711 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4090819 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.7 N=C(N)C1=CC=CO1 4088503 [1,0,0,0,1,0|2,0,0]=4