0 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [1,0,0,0,0,0|1,1,0]=3 1 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,1,0,0,0,0|1,0,0]=2 2 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [0,1,0,0,0,0|1,1,0]=3 4 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 JFD00651 [0,1,0,0,0,0|1,0,1]=3 7 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SPB05963 [1,1,0,0,0,0|1,1,0]=4 8 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [1,1,0,0,0,0|2,0,0]=4 9 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 10 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [1,1,0,0,0,0|1,1,0]=4 11 B10R1.25 COC1=CC=C(Br)C=C1Br DP01258 [1,1,0,0,0,0|1,0,0]=3 12 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|1,1,0]=4 13 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [0,1,0,0,1,0|1,1,0]=4 14 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 RJC02323 [0,2,0,0,0,0|1,0,1]=4 15 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,2,0,0,0,0|0,0,0]=2 16 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 JFD01774 [0,2,0,0,0,0|2,0,0]=4 17 B12R1.6 CNC1=CC=C(S(=O)(=O)O)C=C1 JFD03588 [0,2,0,0,0,0|2,0,0]=4 18 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|1,0,0]=3 19 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 BTB13398 [0,2,0,0,0,0|2,0,0]=4 20 B12R1.113 CN(C)C1=CC=C(\C=N\N)C=C1 S04745 [0,2,0,0,0,0|2,0,0]=4 21 B12R1.256 CS(=O)C1=CC=C([N+](=O)[O-])C=C1 NRB00582 [0,2,0,0,0,0|1,1,0]=4 22 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 SB00616 [0,2,0,0,0,0|2,0,0]=4 23 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 SPB07621 [0,2,0,0,0,0|2,0,0]=4 24 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,2,0,0,0,0|0,1,0]=3 25 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,2,0,0,0,0|0,0,0]=2 26 B12R1.71 C#CCOC1=CC=C(C#N)C=C1 KM08122 [0,2,0,0,0,0|1,0,1]=4 27 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,2,0,0,0,0|1,0,1]=4 28 B12R1.71 N#CC1=CC=C(OCCO)C=C1 RJC02530 [0,2,0,0,0,0|1,0,1]=4 29 B12R1.301 COC1=C(Br)C=C(C#N)C=C1Br SPB00194 [0,2,0,0,0,0|1,0,1]=4 30 B12R1.450 COC1=CC(Br)=C(OC)C=C1Br MB00208 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.450 COC1=CC(C)=C(OC)C=C1I RH01788 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.450 COC1=CC(I)=C(OC)C=C1Cl DP00952 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.450 COC1=CC(I)=C(OC)C=C1I BTB13697 [0,2,0,0,0,0|2,0,0]=4 34 B12R2.44 COC1=CC2=NON=C2C=C1 KM06417 [0,1,0,1,0,0|1,0,1]=4 35 B12R2.44 COC1=CC2=NSN=C2C=C1 RDP00061 [0,1,0,1,0,0|1,1,0]=4 36 B12R2.44 OCC1=CC2=C(C=C1)OCO2 CC01609 [0,1,0,1,0,0|0,0,2]=4