0 B11R1.83 CCSC1=CC=C(C#N)C=N1 SEW04425 [0,0,0,0,0,0|2,1,1]=4 1 B12R1.71 C#CCOC1=CC=C(C#N)C=C1 KM08122 [0,1,0,0,0,0|1,0,2]=4 2 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,1,0,0,0,0|2,0,0]=3 3 B12R1.71 N#CC1=CC=C(OCCO)C=C1 RJC02530 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,1,0,0,0,0|1,0,0]=2 5 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 BTB13398 [0,1,0,0,0,0|2,0,0]=3 6 B12R2.44 OCC1=CC2=C(C=C1)OCO2 CC01609 [0,0,0,1,0,0|1,0,2]=4 7 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] BTB14020 [1,0,1,0,0,0|2,0,0]=4 8 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [2,0,0,0,0,0|1,1,0]=4 9 B11R1.1 N#CCOC1=CC=C(Br)C=C1 RJC03947 [1,1,0,0,0,0|1,0,1]=4 10 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [1,1,0,0,0,0|0,0,0]=2 11 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [1,1,0,0,0,0|1,0,0]=3 12 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [1,1,0,0,0,0|1,1,0]=4 13 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [1,1,0,0,0,0|2,0,0]=4 14 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [1,1,0,0,0,0|1,0,0]=3 15 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 JFD00651 [1,1,0,0,0,0|1,0,1]=4 16 B13R1.142 CCCC1=CC=C(NC(C)=O)C=C1 BTB04635 [0,2,0,0,0,0|1,0,0]=3 17 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 BTB13290 [0,2,0,0,0,0|0,0,0]=2 18 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 SB00534 [0,2,0,0,0,0|1,0,1]=4 19 B13R1.139 CCCC1=CC=C(\C(C)=N\O)C=C1 TL00858 [0,2,0,0,0,0|1,0,1]=4 20 B13R1.74 CCCCC1=CC=C(C(N)=O)C=C1 TL00754 [0,2,0,0,0,0|1,0,0]=3 21 B13R1.74 N#CCOC1=CC=C([N+](=O)[O-])C=C1 SPB04268 [0,2,0,0,0,0|1,0,1]=4 22 B13R1.74 O=[N+]([O-])C1=CN=C(OCCO)C=C1 CD08075 [0,2,0,0,0,0|2,0,0]=4 23 B13R1.371 COC1=CC=C(OCCC#N)C=C1 SEW04595 [0,2,0,0,0,0|2,0,0]=4 24 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 KM05976 [0,1,0,1,0,0|0,0,0]=2 25 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 CC00048 [0,1,0,1,0,0|1,0,0]=3 26 B13R2.430 NC(=S)C1=CC=C2OCCC2=C1 SP00108 [0,1,0,1,0,0|0,1,0]=3 27 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CC07101 [0,1,0,1,0,0|0,0,2]=4 28 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 CC01601 [0,1,0,1,0,0|1,0,0]=3 29 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CC00801 [0,1,0,1,0,0|0,0,0]=2 30 B13R2.430 O=[N+]([O-])C1=CC=C2NCCC2=C1 RH00433 [0,1,0,1,0,0|2,0,0]=4 31 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCC2 KM06460 [0,1,0,1,0,0|0,0,1]=3 32 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCO2 RH01603 [0,1,0,1,0,0|1,0,1]=4