0 B13R2.10 BrC1=CNC(C2=CC=CC=C2)=N1 BB52-6872 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 BB31-9648 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 BB32-1946 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 BB52-6862 [0,0,0,0,0,0|1,1,2]=4 4 B13R2.10 N=C1NC(C2=CC=CC=C2)=CO1 BB32-1992 [0,0,0,0,0,0|0,0,4]=4 5 B13R2.10 NC1=CC(C2=CC=CC=C2)=CS1 BB32-3827 [0,0,0,0,0,0|1,1,2]=4 6 B13R2.10 NC1=CN(C2=CC=CC=C2)N=C1 BB31-9316 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.10 NC1=NC(C2=CC=CC=N2)=NN1 BB52-0292 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.10 O=C1N=C(C2=CC=CC=C2)NO1 BB31-2554 [0,0,0,0,0,0|2,0,1]=3 9 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 BB31-4083 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [1,0,0,0,0,0|1,0,2]=4 11 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [1,0,0,0,0,0|1,0,2]=4 12 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 BB32-0024 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.8 NCC1=NC(C2=CC=CC=C2)=CS1 BB31-7450 [0,1,0,0,0,0|0,1,2]=4 14 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 BB52-8301 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.8 NCC1=NN(C2=CC=CC=C2)N=C1 BB52-8623 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8 NNC1=NC(C2=CC=CC=C2)=CS1 BB52-5375 [0,1,0,0,0,0|0,1,2]=4 17 B14R2.20 CC1=NC(C2=CC=C(O)C=C2)=NO1 BB52-8111 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 BB52-5140 [0,1,0,0,0,0|0,1,2]=4 19 B14R2.20 NC1=NC(C2=CC=C(F)C=C2)=CS1 BB52-1702 [0,1,0,0,0,0|0,1,2]=4 20 B14R2.20 NC1=NC(C2=CC=C(O)C=C2)=NN1 BB52-6443 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.22 CC1=CC(C2=NNC(N)=N2)=CC=C1 BB52-6441 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.22 CC1=CC=CC(C2=CSC(N)=N2)=C1 BB32-2427 [0,1,0,0,0,0|0,1,2]=4 23 B14R2.22 NC1=NC(C2=CC=CC(Cl)=C2)=NN1 BB52-6444 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.256 CC1=CC=CC=C1C2=NNC(N)=N2 BB52-6440 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.598 NC1=NC(C2=CC=CC=C2)=C(Br)S1 BB32-3434 [0,1,0,0,0,0|0,1,2]=4 26 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,0,1,0,0,0|2,0,0]=3 30 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [0,0,0,0,1,0|1,0,1]=3 31 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,0,1,0|1,0,1]=3 32 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [0,0,0,0,1,0|3,0,0]=4 33 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=N1 BB52-0400 [0,0,0,0,0,1|2,0,1]=4 34 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,0,0,0,0,1|2,0,1]=4 35 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,0,0,0,0,1|3,0,0]=4 36 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,0,0,0,0,1|1,0,1]=3 37 B14R2.68 NC1=CN=C(C2=CC=CC=C2)N=C1 BB32-3219 [0,0,0,0,0,1|2,0,1]=4 38 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=N1 BB32-2007 [0,0,0,0,0,1|1,0,2]=4 39 B14R2.68 NC1=NNC(C2=CC=CC=C2)=NN1 BB52-7906 [0,0,0,0,0,1|2,0,1]=4 40 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BB32-2900 [0,0,0,0,0,1|3,0,0]=4 41 B14R2.68 O=C1NCC(C2=CC=CC=C2)=NN1 BB31-6926 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.12 CCC(C=O)C1=CC=CC=C1 BB31-7584 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [1,0,1,0,0,0|0,0,2]=4 44 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [1,0,1,0,0,0|0,0,2]=4 45 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 BB31-5091 [0,1,1,0,0,0|1,0,0]=3 52 B13R2.12 FC1=CC=C(C2=COC=N2)C=C1 BB32-3604 [1,1,0,0,0,0|0,0,2]=4 53 B13R2.18 BrC1=C(C2=COC=N2)C=CC=C1 BB31-8615 [1,1,0,0,0,0|0,0,2]=4 54 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 BB31-4694 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 BB31-8516 [0,1,0,0,1,0|2,0,0]=4 56 B15R2.14 NCC1=NC(C2=CC=CC(Cl)=C2)=NO1 BB10-5750 [0,2,0,0,0,0|1,0,1]=4 57 B15R2.14 NCC1=NC(C2=CC=CC(F)=C2)=NO1 BB10-5754 [0,2,0,0,0,0|1,0,1]=4 58 B15R2.59 CC(N)C1=NC(C2=CC=CC=C2)=NO1 BB10-5896 [0,2,0,0,0,0|1,0,1]=4 59 B15R2.66 NCCC1=NC(C2=CC=CC=C2)=NO1 BB10-5760 [0,2,0,0,0,0|1,0,1]=4 60 B15R2.275 CC1=CC=C(C2=NOC(CN)=N2)C=C1 BB52-8304 [0,2,0,0,0,0|1,0,1]=4 61 B15R2.275 NCC1=NC(C2=CC=C(Cl)C=C2)=NO1 BB52-8310 [0,2,0,0,0,0|1,0,1]=4 62 B15R2.275 NCC1=NC(C2=CC=C(F)C=C2)=NO1 BB10-5742 [0,2,0,0,0,0|1,0,1]=4 63 B15R2.2243 CC1=C(C2=NOC(CN)=N2)C=CC=C1 BB52-8313 [0,2,0,0,0,0|1,0,1]=4 64 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [0,0,1,1,0,0|2,0,0]=4 65 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [1,0,0,0,1,0|0,0,2]=4 66 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [0,0,0,0,2,0|0,0,1]=3 67 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [0,0,0,0,2,0|0,0,1]=3 68 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 BB31-0184 [0,0,0,0,0,2|1,0,1]=4