0 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 NNC(=O)CSC1=NC=CC=C1 B003368 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.14 CC1=CC=C(SCC(=O)NN)C=C1 B047323 [0,1,0,0,0,0|3,0,0]=4 6 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 B017807 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 B028851 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.25 COC(=O)CCN1C=NC=N1 B052609 [0,0,0,0,1,0|3,0,0]=4 10 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [1,1,0,0,0,0|1,0,0]=3 11 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [1,1,0,0,0,0|0,0,0]=2 12 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [1,1,0,0,0,0|0,0,0]=2 13 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [1,1,0,0,0,0|0,0,0]=2 14 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [1,1,0,0,0,0|1,0,0]=3 16 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [1,1,0,0,0,0|1,0,0]=3 17 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 B045772 [0,1,0,0,1,0|2,0,0]=4 19 B12R1.26 COC(=O)CCN1C=C(C)C=N1 B051177 [0,1,0,0,1,0|2,0,0]=4 20 B12R1.26 COC(=O)CCN1C=C(Cl)C=N1 B016183 [0,1,0,0,1,0|2,0,0]=4 21 B12R1.26 COC(=O)CCN1C=CC(Br)=N1 B052551 [0,1,0,0,1,0|2,0,0]=4 22 B12R1.26 COC(=O)CCN1C=CC(C)=N1 B016175 [0,1,0,0,1,0|2,0,0]=4 23 B12R1.26 COC(=O)CCN1C=CC(I)=N1 B052569 [0,1,0,0,1,0|2,0,0]=4 24 B12R1.51 CCOC(=O)CCN1C=CC=N1 B035727 [0,1,0,0,1,0|2,0,0]=4 25 B12R1.108 COC(=O)C(C)CN1C=CC=N1 B035801 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [0,1,0,0,1,0|0,0,0]=2 27 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 B028862 [0,1,0,0,0,1|1,0,1]=4 29 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 B047307 [0,2,0,0,0,0|1,0,0]=3 30 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 B047305 [0,2,0,0,0,0|1,0,0]=3 31 B14R1.135 COC(=O)C(C)OC1=CC(Cl)=CC=C1 B006642 [0,2,0,0,0,0|1,0,0]=3 32 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B048565 [0,2,0,0,0,0|2,0,0]=4 33 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 B000956 [0,0,0,1,0,1|2,0,0]=4 34 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 B038512 [0,1,0,1,0,0|2,0,0]=4 35 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,1,0|1,1,0]=4 36 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [1,0,0,0,1,0|2,0,0]=4 37 B10R1.66 O=C(O)CCN1C=CC=N1 B040707 [1,0,0,0,1,0|2,0,0]=4 38 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,0,0,0,2,0|2,0,0]=4 39 B10R1.27 COC(=O)CN1C=CC=N1 B030300 [0,0,0,0,2,0|2,0,0]=4 40 B10R1.27 COC(=O)CN1C=CN=C1 B039453 [0,0,0,0,2,0|2,0,0]=4 41 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,0,0,0,2,0|1,0,1]=4