0 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 B029934 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 B006610 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 B006173 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.452 COC1=NC(N)=C([N+](=O)[O-])C=C1 B049006 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,0,0,0,1,0|3,0,0]=4 16 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,0,0,0,1,0|2,0,0]=3 18 B10R1.31 CCN1C=C(C(C)=O)C=N1 B007419 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.31 COC1=NC=C(C(=O)[O-])S1 B061073 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [1,1,0,0,0,0|0,0,0]=2 24 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.44 CCC1=CC(C(=O)OC)=CS1 B035760 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.124 CCCC1=CC=C(C(C)=O)S1 B016337 [0,1,0,0,1,0|2,0,0]=4 32 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 B019381 [0,2,0,0,0,0|2,0,0]=4 33 B13R1.3091 COC1=C(OC)C=C(C(C)N)C=C1 B039340 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC B006175 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.3380 COC1=C(Br)C=C([N+](=O)[O-])C=C1Br B049696 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.74 O=C(O)C1=CC=C(OCCF)C=C1 B059303 [0,2,0,0,0,0|1,0,0]=3 37 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 B039544 [0,0,0,1,0,1|1,1,0]=4 38 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 B039588 [0,0,0,1,0,1|1,1,0]=4 39 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 B014647 [0,1,0,1,0,0|1,0,1]=4 40 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 B049718 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [1,0,0,0,1,0|2,0,0]=4 42 B9R1.21 COC1=NC=C(C=O)S1 B059779 [1,0,0,0,1,0|2,0,0]=4 43 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [1,0,0,0,1,0|2,0,0]=4 44 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [1,0,0,0,1,0|2,0,0]=4 45 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [1,0,0,0,1,0|2,0,0]=4 46 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [1,0,0,0,1,0|2,0,0]=4 47 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [1,0,0,0,1,0|2,0,0]=4 48 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [1,0,0,0,1,0|2,0,0]=4 49 B11R1.266 COC1=CC(C(C)N)=CC=C1 B006176 [0,0,0,0,1,1|1,0,1]=4