0 B10R1.13 CC(C)C1=CC=C(N)N=N1 BB32-3140 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(C)C1=NC=C(Br)C=C1 BB31-0706 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9165 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9854 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC(O)C1=CN=C(Cl)C=C1 BB32-1451 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CN(C)C1=CN=C(N)C=C1 BB31-7808 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CN(C)C1=NC=C(I)C=C1 BB32-1805 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CN(C)C1=NC=C(N)C=C1 BB32-2424 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.1 CCC1=CN=C(N)C=C1 BB31-3880 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.1 CNC1=CN=C(C)C=C1 BB31-9222 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 BB32-1645 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 BB31-3651 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 BB31-5171 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.21 CC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0729 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 BB31-3415 [0,1,0,0,0,0|1,0,2]=4 22 B11R2.34 NC1=CN=C(C2CC2)C=C1 BB31-0704 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.34 O=C1C=CC(C2CC2)=CN1 BB31-0705 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.35 CC(C)C1=CN=C(N)S1 BB31-0173 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.35 CC1=NNC(C(C)C)=N1 BB31-5267 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [0,0,0,0,0,1|1,0,2]=4 28 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 BB31-9408 [0,0,0,0,0,1|2,0,1]=4 29 B11R1.20 CC(C)OC1=NC=C(N)C=C1 BB32-2377 [0,0,0,0,0,1|2,0,1]=4 30 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 BB31-6923 [0,0,0,0,0,1|1,0,2]=4 31 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.25 CCC1=NC=C(C)C=C1C BB31-8237 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.176 CCC1=CC(C)=C(C)C=C1 BB31-7435 [1,1,0,0,0,0|0,0,2]=4 34 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,1,0,0,0,0|0,0,2]=4 35 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.28 CC(C)(N)C1=CC=CN=C1 BB31-5567 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.28 CC(C)(N)C1=NC=CC=C1 BB32-2362 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.28 CC(C)(O)C1=NC=CC=C1 BB32-1616 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.61 CC(C)C1=C(O)C=CC=N1 BB31-4057 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.113 CC(C)C1=CN=CC(N)=C1 BB31-1267 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 BB31-7554 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.113 CC(C)C1=NC=CC(N)=C1 BB32-2144 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.14 CC1=CN(C(C)CN)N=C1 BB05-4113 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.31 CC(C)C1=COC(C=O)=C1 BB32-0360 [0,1,0,0,1,0|1,0,1]=4 45 B10R1.58 CC1=C(C)NC(C(C)C)=N1 BB31-9299 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.194 CC1=C(N)N(C(C)C)N=C1 BB05-4863 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB31-9902 [0,1,0,0,0,1|0,0,2]=4 48 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 BB32-0151 [0,1,0,0,0,1|0,0,2]=4 49 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 BB31-4613 [0,2,0,0,0,0|0,0,2]=4 50 B12R2.9 NCC1=CC=C(C2CC2)C=C1 BB31-8846 [0,1,0,1,0,0|0,0,2]=4 51 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 BB32-2565 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [1,0,0,0,1,0|2,0,0]=4 53 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [1,0,0,0,0,1|1,0,1]=4