0 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 SPB07621 [0,1,0,0,0,0|3,0,0]=4 1 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,1,0,0,0,0|1,0,1]=3 2 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,1,0,0,0,0|2,0,0]=3 3 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 RJC02323 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.113 CN(C)C1=CC=C(\C=N\N)C=C1 S04745 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.44 COC1=CC2=NON=C2C=C1 KM06417 [0,0,0,1,0,0|3,0,0]=4 8 B12R2.44 COC1=CC2=NSN=C2C=C1 RDP00061 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [2,0,0,0,0,0|1,1,0]=4 10 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [1,1,0,0,0,0|2,0,0]=4 11 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [1,1,0,0,0,0|2,0,0]=4 12 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [1,1,0,0,0,0|2,0,0]=4 13 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [1,1,0,0,0,0|1,0,1]=4 14 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [1,1,0,0,0,0|1,0,1]=4 15 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [1,1,0,0,0,0|2,0,0]=4 16 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [1,1,0,0,0,0|2,0,0]=4 17 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.22 CSC(=N)C1=CC=C(Cl)C=C1 DP01090 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 JFD00651 [1,1,0,0,0,0|1,0,1]=4 23 B13R1.35 COC1=C(Cl)C=C(NC(C)=O)C=C1 BTB10813 [0,2,0,0,0,0|1,0,0]=3 24 B13R1.142 CCCC1=CC=C(NC(C)=O)C=C1 BTB04635 [0,2,0,0,0,0|2,0,0]=4 25 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 BTB13290 [0,2,0,0,0,0|2,0,0]=4 26 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 SB00534 [0,2,0,0,0,0|2,0,0]=4 27 B13R1.585 CC(=O)NC1=CC=C(C(C)C)C=C1 DP01941 [0,2,0,0,0,0|2,0,0]=4 28 B13R1.452 COC1=CC=C(\C(N)=N\C#N)C=C1 BTB13804 [0,2,0,0,0,0|1,0,1]=4 29 B13R1.3088 COC(=O)C1=CC=C(OC)C(I)=C1 TL00305 [0,2,0,0,0,0|1,0,0]=3 30 B13R1.3 COC1=CC=C(NNC(N)=S)C=C1 PD00457 [0,2,0,0,0,0|2,0,0]=4 31 B13R1.3 COC1=CC=C(OCC(N)=O)C=C1 SPB08002 [0,2,0,0,0,0|1,0,1]=4 32 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01396 [0,2,0,0,0,0|1,0,0]=3 33 B13R1.3 CSC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S10015 [0,2,0,0,0,0|1,1,0]=4 34 B13R1.371 COC1=CC=C(NCCC#N)C=C1 EN00151 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.371 COC1=CC=C(OCCC#N)C=C1 SEW04595 [0,2,0,0,0,0|1,0,1]=4 36 B11R2.36 BrC1=CC=C2C=CNC2=C1 RH00739 [1,0,0,1,0,0|2,0,0]=4 37 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 RH00387 [0,1,0,1,0,0|2,0,0]=4 38 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 BTB04799 [0,1,0,1,0,0|2,0,0]=4 39 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 BTB13426 [0,1,0,1,0,0|1,0,0]=3 40 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCC2 KM06460 [0,1,0,1,0,0|2,0,0]=4 41 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCO2 RH01603 [0,1,0,1,0,0|2,0,0]=4