0 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 B059712 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 B039764 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 B004261 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 B000277 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 B004256 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.14 CC1=CC=C(SCC(=O)NN)C=C1 B047323 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 B017807 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O B047260 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 B013798 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 B003348 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.75 CC1=CN(CCC(=O)O)N=C1 B015880 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.75 CC1=NN(CCC(=O)O)C=C1 B007160 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.75 CN1C=C(CCC(=O)O)C=N1 B020749 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.75 CN1C=CC(CCC(=O)O)=N1 B028490 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.71 COC1=CC=C(CCCN)C=C1 B049843 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 B059691 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.26 COC(=O)CCN1C=C(C)C=N1 B051177 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.26 COC(=O)CCN1C=CC(C)=N1 B016175 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 B029155 [0,1,0,0,0,1|1,0,1]=4 35 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 B003326 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.419 CC(O)CCC1=CC=C(N(C)C)C=C1 B049064 [0,2,0,0,0,0|0,0,2]=4 37 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 B047307 [0,2,0,0,0,0|2,0,0]=4 38 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)O B013878 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 B050847 [0,2,0,0,0,0|2,0,0]=4 40 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [1,0,0,1,0,0|1,0,1]=4 41 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [1,0,0,1,0,0|1,0,1]=4 42 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 B022968 [0,0,0,1,0,1|1,0,0]=3 43 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 B006809 [0,0,0,1,0,1|2,0,0]=4 44 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,1,0|1,1,0]=4 45 B10R1.54 CC(=O)CN1C=C(C)C=N1 B037599 [0,0,0,0,2,0|2,0,0]=4 46 B10R1.54 CC(=O)CN1C=CC(C)=N1 B020842 [0,0,0,0,2,0|2,0,0]=4 47 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [1,0,0,0,0,1|2,0,0]=4 48 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [1,0,0,0,0,1|2,0,0]=4