0 B10R1.17 CCCCC1=CC=CC=N1 180367 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 N#CCCC1=CC=NC=C1 024695 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 CCOC1=CC=CN=C1 180053 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 O=C=NC1=CC=CN=C1 022077 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [0,1,0,0,0,0|1,0,2]=4 9 B11R1.28 CCCSCC1=CC=CC=C1 094802 [0,1,0,0,0,0|1,1,1]=4 10 B11R1.28 COCCOC1=CC=CC=C1 336003 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [0,1,0,0,0,0|1,1,1]=4 13 B11R1.91 NC(=S)NCC1=CC=CN=C1 025062 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.91 O=C(O)CNC1=CC=CC=[NH+]1 180553 [0,1,0,0,0,0|3,0,0]=4 15 B11R2.1 BrC1=NNC2=C1C=CC=C2 079923 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|1,0,1]=4 18 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.16 O=C\C=C(/Cl)C1=CC=C(Cl)C=C1 020001 [0,2,0,0,0,0|1,0,1]=4 27 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,2,0,0,0,0|1,0,1]=4 28 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.69 O=CNCC1=C(F)C=C(F)C=C1 104499 [0,2,0,0,0,0|1,0,0]=3 31 B12R1.71 CCOCC1=CC=C(C#N)C=C1 080130 [0,2,0,0,0,0|1,0,1]=4 32 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 085104 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.27 CNC(=O)COC1=CC=CC=C1 105775 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.252 CC(=O)NCCC1=CC=NC=C1 032575 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)Cl 014734 [0,2,0,0,0,0|1,0,1]=4 36 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 328702 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 099861 [0,2,0,0,0,0|1,0,0]=3 38 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 092771 [0,1,0,1,0,0|1,0,0]=3