0 B11R1.16 C=C(CCO)C1=CC=NC=C1 180182 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.16 CCCC(C)C1=NC=CC=C1 102203 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 C\C(=C/CO)C1=NC=CC=C1 099298 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.15 OC(CF)c1ccccc1 195755 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.17 CCCCC1=CC=CC=N1 180367 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 022389 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.30 CCCCC(=O)C1=CC=NC=C1 320873 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.30 CCONC(=O)C1=CC=CC=C1 180306 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl 079248 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 092771 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.11 CCOC(=O)C1=CNN=N1 228237 [0,0,0,0,1,0|3,0,0]=4 14 B12R1.32 CCOC(=O)NC1=NC=CC=C1 374623 [0,0,0,0,0,1|1,0,0]=2 15 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [2,0,0,0,0,0|1,0,1]=4 16 B9R1.8 CCOC1=CC=CN=C1 180053 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.12 O\N=C(\CCl)C1=CC=CC=C1 180348 [1,1,0,0,0,0|1,0,1]=4 18 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 209966 [1,1,0,0,0,0|1,0,1]=4 20 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 209970 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.222 COC(=O)C1=NC=CC=C1N 066881 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.1 CC\N=C\C1=CC=C(C)C=C1 180176 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.17 CCCSC1=C(Cl)C=CC=C1 094634 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.24 CCCSC1=CC(C)=CC=C1 094817 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.24 CCCSC1=CC(Cl)=CC=C1 095027 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.24 CCCSC1=CC=CC(Br)=C1 094806 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.28 CCCSCC1=CC=CC=C1 094802 [1,1,0,0,0,0|0,1,1]=4 30 B11R1.28 COCCOC1=CC=CC=C1 336003 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.40 CCC(C)SC1=CC=CC=C1 094611 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [1,1,0,0,0,0|0,1,1]=4 34 B11R1.199 CCOC(=O)C1=C(C)C=CS1 338604 [0,1,0,0,1,0|1,0,0]=3 35 B11R1.199 CCOC(=O)C1=C(C)OC=C1 386973 [0,1,0,0,1,0|1,0,0]=3 36 B11R1.199 CCOC(=O)C1=C(N)C=NN1 037260 [0,1,0,0,1,0|2,0,0]=4 37 B13R1.19 CCOC(=O)NC1=NC=C(C)C=C1 180469 [0,1,0,0,0,1|1,0,0]=3 38 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 241884 [0,1,0,0,0,1|0,0,0]=2 39 B13R1.20 CCOC(=O)NC1=NC(C)=CC=C1 180468 [0,1,0,0,0,1|1,0,0]=3 40 B13R1.470 O=C(CCCl)NC1=C(O)C=CC=C1 180712 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.466 CCOC(=O)C1=CC(C)=C(C)C=C1 106144 [0,2,0,0,0,0|0,0,0]=2 42 B13R1.466 CCOC(=O)C1=CC(C)=C(O)C=C1 438106 [0,2,0,0,0,0|0,0,0]=2 43 B13R1.466 CCOC(=O)C1=CC(Cl)=C(I)C=C1 034836 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.466 CCOC(=O)C1=CC=C(Br)C(F)=C1 335532 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.466 CCOC(=O)C1=CC=C(Cl)C(F)=C1 234554 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Br)C=C1 098778 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.1511 CCOC(=O)C1=C(C)C=C(Br)C=C1 450296 [0,2,0,0,0,0|0,0,0]=2 48 B13R1.1511 CCOC(=O)C1=C(O)C=C(Cl)C=C1 098654 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.1511 CCOC(=O)C1=CC=C(N)C=C1Cl 037788 [0,2,0,0,0,0|0,0,0]=2 50 B13R1.12 CCOC(=O)C1=CC=CC(Br)=C1F 224946 [0,2,0,0,0,0|0,0,0]=2 51 B13R1.446 CCOC(=O)C1=C(C)C=CC(I)=C1 238135 [0,2,0,0,0,0|0,0,0]=2 52 B13R1.446 CCOC(=O)C1=C(I)C=CC(Br)=C1 038709 [0,2,0,0,0,0|0,0,0]=2 53 B13R1.446 CCOC(=O)C1=C(I)C=CC(Cl)=C1 098296 [0,2,0,0,0,0|0,0,0]=2 54 B13R1.446 CCOC(=O)C1=C(I)C=CC(O)=C1 182357 [0,2,0,0,0,0|0,0,0]=2 55 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1Br 038734 [0,2,0,0,0,0|0,0,0]=2 56 B13R1.450 CCOC(=O)C1=CC(Cl)=CC(F)=C1 101432 [0,2,0,0,0,0|0,0,0]=2 57 B13R1.450 CCOC(=O)C1=CC(F)=CC(N)=C1 022026 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.450 CCOC(=O)C1=CC(I)=CC(Br)=C1 333926 [0,2,0,0,0,0|0,0,0]=2 59 B13R1.11 COC(=S)NC(=O)C1=CC=CC=C1 180658 [0,2,0,0,0,0|1,0,1]=4 60 B13R1.24 N#CCCNC(=O)C1=CC=NC=C1 180403 [0,2,0,0,0,0|2,0,0]=4 61 B13R2.10 CC1=NN=C(C2=CC=CC=C2)O1 180256 [0,1,0,1,0,0|1,0,1]=4 62 B13R3.1962 C1=CC2=C(C=C1)C3CCC2O3 099693 [0,0,0,2,0,0|1,0,1]=4 63 B9R1.11 O=C(CCl)C1=CC=CS1 015347 [1,0,0,0,1,0|2,0,0]=4