0 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.15 CC(NN)C1=CC=CN=C1 BB57-2140 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.15 CC(NN)C1=CC=NC=C1 BB57-2139 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 BB56-1680 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.13 COC(OC)C1=CC=NC(N)=N1 BB12-1203 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 BB54-5649 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 BB31-4634 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,0,0,1,0,0|2,0,0]=3 14 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.48 NCC1(C2=CC=CC=C2)CC1 BB57-5996 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.48 OCC1(C2=CC=CC=C2)CC1 BB90-0130 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.9 COC(OC)C1=NC=NN1 BB58-3445 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.6 CC(N)C1=CC=NC=C1 BB05-0766 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.8 CNCC1=NC=CC=C1 BB55-7031 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.7 CC(C)(CN)C1=CC=CC=C1 BB32-0942 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.16 OC(C#CBr)C1=CC=CC=C1 BB54-1497 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BB55-1641 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB32-1137 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB57-6723 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BB55-1640 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 BB32-1599 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.36 CC(C)C(N)C1=CC=CC=C1 BB58-0614 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 BB54-4112 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.222 C#CC(O)C1=C(Cl)C=CC=C1 BB31-3996 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.222 CCC(N)C1=CC=CC=C1C BB58-0612 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [1,1,0,0,0,0|0,0,2]=4 42 B11R1.222 NCC(O)C1=C(F)C=CC=C1 BB31-5644 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.26 COC(CCC#N)C1=CC=CC=C1 BB12-1400 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.532 COC(C(=O)NN)C1=CC=CC=C1 BB17-2223 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.39 COC(OC)C1=CC=C(CN)C=C1 BB58-4508 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.317 COC(OC)C1=C(C)C=NC(N)=N1 BB12-1204 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.646 COC(OC)C1=CC=CC(CN)=C1 BB58-4509 [0,2,0,0,0,0|0,0,0]=2 48 B13R1.2711 CCC(O)(CC)C1=C(N)C=CC=C1 BB57-6998 [0,2,0,0,0,0|2,0,0]=4 49 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 BB56-0022 [0,0,0,1,0,1|2,0,0]=4 50 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 BB56-0727 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 BB56-2420 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 BB54-3139 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.3 C1=CN=CC(C2CNCCO2)=C1 BB58-4348 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.15 CC1CNCC1C2=CC=CC=C2 BB58-3084 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.1613 NCC1OCCC2=CC=CC=C21 BB55-6201 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.1613 OCC1OCCC2=CC=CC=C21 BB54-2916 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.2931 COC1OC(=O)C2=CC=CC=C21 BB01-7776 [0,1,0,1,0,0|0,0,1]=3 58 B13R2.12 CC1=CC=C(C2CCCN2)C=C1 BB55-3979 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 BB56-0023 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 BB05-3780 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 BB56-0035 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.13 BrC1=CC(C2CCCN2)=CC=C1 BB56-0757 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.13 CC1=CC=CC(C2CCCN2)=C1 BB05-3777 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.13 ClC1=CC(C2CCCN2)=CC=C1 BB56-0523 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 BB05-3779 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 BB54-1040 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.13 IC1=CC=CC(C2CCCN2)=C1 BB56-1766 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.13 NC1=CC=CC(C2OCCO2)=C1 BB57-4661 [0,1,0,1,0,0|0,0,0]=2 69 B13R2.18 BrC1=CC=CC=C1C2CCCN2 BB56-2503 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.18 CC1=C(C2CCCN2)C=CC=C1 BB05-3778 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.18 ClC1=C(C2CCCN2)C=CC=C1 BB55-3982 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [1,0,0,0,0,1|2,0,0]=4