0 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 NNC(=O)C1=NC=CN=C1 3002804 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,0,0|2,0,1]=4 17 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.11 CCC(=O)C1=CC=CS1 3020389 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.11 COC(=O)C1C=CCN1 4028931 [0,0,0,0,1,0|1,0,2]=4 22 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.11 CCOC(=O)C1=NNC=C1 3002952 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.14 COC(=O)C1=NNC(N)=C1 4088532 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.149 COC(=O)C1=C(Br)C=NN1 3001838 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.149 COC(=O)C1=C(C)NC=N1 4044514 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.149 COC(=O)C1=C(N)SC=C1 3001619 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4089528 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4090718 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.34 NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.43 CC(Br)C(=O)NC1=CC=CC=N1 4089535 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 3003097 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4090170 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 3002099 [0,2,0,0,0,0|2,0,0]=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 B12R1.30 NCCNC(=O)C1=CC=CN=C1 4089282 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl 9071766 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4089172 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.1703 CCC(=O)C1=C(N)C=C(Br)C=C1 5216238 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 3015284 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl 3015281 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 4089864 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 4088127 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.358 COC(=O)C1=CC(F)=CC(N)=C1 4141938 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.358 COC(=O)C1=NC(N)=NC(Cl)=C1 4110531 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 4032830 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N 4090746 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.77 NNC(=O)C1=CC=CC=C1CO 4033429 [0,2,0,0,0,0|2,0,0]=4 68 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4090819 [0,0,0,1,0,1|2,0,0]=4