0 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 CCOC1=CC=CN=C1 180053 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CNCC1=NC=CC=N1 076808 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 O=C=NC1=CC=CN=C1 022077 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 S=C=NC1=NC=CC=C1 101031 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.10 CCCC1=CC(N)=NC=C1 024686 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.15 OC(CF)c1ccccc1 195755 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.17 CCCCC1=CC=CC=N1 180367 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.17 NCCOC1=CN=CC=C1 044845 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.18 CN(C)CC1=CC=CN=C1 024691 [0,1,0,0,0,0|2,0,0]=3 19 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.8 C=CCN1C=NC=N1 180019 [0,0,0,0,1,0|1,0,2]=4 21 B9R1.1 N#CC1=CN=C(Cl)C=N1 076064 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.2 CCC1=CC(C)=CN=C1 180046 [1,1,0,0,0,0|1,0,0]=3 23 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.7 CCCC1=NC=C(Br)N1 312919 [0,1,0,0,1,0|0,0,1]=3 25 B9R1.7 CCOC1=NC(N)=NS1 024044 [0,1,0,0,1,0|2,0,0]=4 26 B9R1.7 CCSC1=NC(N)=NS1 024046 [0,1,0,0,1,0|2,0,0]=4 27 B9R1.7 CNCC1=CN(C)N=C1 038553 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.11 CC(CO)N1C=CC=N1 038543 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.11 CCC(O)C1=CC=CO1 105062 [0,1,0,0,1,0|1,0,0]=3 30 B9R1.12 N#CCCN1C=CN=C1 009678 [0,1,0,0,1,0|1,0,1]=4 31 B9R1.33 CN1C=CN=C1CCN 311105 [0,1,0,0,1,0|1,0,1]=4 32 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [0,2,0,0,0,0|2,0,0]=4 33 B11R1.1 CCCCC1=CN=C(C)C=C1 032636 [0,2,0,0,0,0|1,0,0]=3 34 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.17 CCCSC1=C(Cl)C=CC=C1 094634 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.17 COCCC1=[N+]([O-])C=CC=C1 180207 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.24 CCCCC1=NC(F)=CC=C1 094605 [0,2,0,0,0,0|1,0,0]=3 39 B11R1.24 CCCSC1=CC(C)=CC=C1 094817 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.24 CCCSC1=CC(Cl)=CC=C1 095027 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.24 CCCSC1=CC=CC(Br)=C1 094806 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.24 COCCC1=NC=CC(C)=C1 180192 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.34 CC1=CC(C)=NC(CCO)=C1 180194 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.16 CCCC(C)C1=NC=CC=C1 102203 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.36 CC(C)C(C)C1=NC=CC=C1 180184 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 209966 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 209970 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.28 CCCSCC1=CC=CC=C1 094802 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.28 COCCOC1=CC=CC=C1 336003 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.40 CCC(C)SC1=CC=CC=C1 094611 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [0,2,0,0,0,0|2,0,0]=4 53 B7R1.1 NCC1=CSC=N1 358537 [1,0,0,0,1,0|2,0,0]=4 54 B7R1.1 OCN1C=NC=N1 180008 [1,0,0,0,1,0|2,0,0]=4