0 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 C19324 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 O=C(O)C1=CC=C(O)N1 C19721 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1=CC=C(C=O)O1 C11115 [1,0,0,0,0,0|0,1,0]=2 3 B8R1.7 CC(=O)N1C=CN=C1 C02560 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.7 O=C(O)C1=CC=CN1 C05942 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 O=C(O)C1=CC=CO1 C01546 [1,0,0,0,0,0|1,1,0]=3 6 B8R1.7 O=[N+]([O-])C1=CC=CO1 C14414 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.14 [*]SC(=O)C1=CC=C(C)N1 C12484 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.31 O=C(O)C1=CC=C(CO)O1 C20448 [0,1,0,0,0,0|1,1,0]=3 9 B10R1.31 O=CC1=CC=C(C(=O)O)O1 C20449 [0,1,0,0,0,0|1,1,1]=4 10 B8R0.8 C\C=C/C=C(/O)C(=O)O C11354 [0,0,1,0,0,0|1,1,0]=3 11 B8R0.8 C\C=C/C=C(\O)C(=O)O C20240 [0,0,1,0,0,0|1,1,0]=3 12 B8R0.8 C\C=C\CC(=O)C(=O)O C06761 [0,0,1,0,0,0|1,1,1]=4 13 B8R0.28 CC(=O)CCC=C(C)C C07287 [0,0,1,0,0,0|1,0,2]=4 14 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [0,0,0,0,0,1|2,0,1]=4 18 B10R1.13 CC1=CC=C(C(C)C)CC1 C09898 [0,0,0,0,0,1|2,0,1]=4 19 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 C14394 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.13 CC1=CCC(=C(C)C)CC1 C06075 [0,0,0,0,0,1|2,0,1]=4 21 B10R1.13 NC1=CC=C(C(=O)O)C=C1 C00568 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C02370 [0,0,0,0,0,1|3,0,0]=4 23 B10R1.13 O=C(O)C1=CC=C(F)C=C1 C02371 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.13 O=C(O)C1=CN=C(O)C=C1 C01020 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 C04431 [0,0,0,0,0,1|2,1,0]=4 27 B10R1.54 O=C(O)\C=C1\C=CC(=O)O1 C12838 [0,0,0,0,0,1|2,1,0]=4 28 B10R1.113 CC1=CC([N+](=O)[O-])=CC=C1 C19486 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.113 CC1=CC=CC(C(=O)O)=C1 C07211 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 C01004 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 C02918 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.113 O=C(O)C1=CC(O)=CC=C1 C00587 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.113 O=C(O)C1=CC=CC(F)=C1 C02364 [0,0,0,0,0,1|3,0,0]=4 35 B7R0.5 C=C\C=C(\O)C(=O)O C00596 [1,0,1,0,0,0|1,1,0]=4 36 B7R1.1 O=CC1=CC=CO1 C14279 [2,0,0,0,0,0|0,1,0]=3 37 B7R1.2 C=C1C=CC(=O)O1 C07090 [2,0,0,0,0,0|0,1,1]=4 38 B7R1.2 O=C1C=CC(=O)N1 C07272 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.1 CC(=O)\C=C\C=C(/C)C=O C11480 [0,1,1,0,0,0|0,1,0]=3 40 B9R1.21 O=CC1=CC=C(C=O)O1 C20899 [1,1,0,0,0,0|0,1,1]=4 41 B9R1.21 O=CC1=CC=C(CO)O1 C11101 [1,1,0,0,0,0|0,1,0]=3 42 B9R1.11 [*]SC(=O)C1=CC=CN1 C12483 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.11 [*]SC(=O)C1=CC=CN1 C21567 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.19 NS(=O)(=O)C1=CC=CS1 C14764 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 C03522 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.3 COC1=CC=C(C(=O)O)C=C1 C02519 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 C10675 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.21 CC1=NC=C(C(=O)O)C=C1O C01270 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 C13342 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 C13635 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.166 CC(=O)C1=CC=C(O)C=C1O C03663 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 C01951 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 C14103 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 C16571 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 C14088 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.175 O=C(O)C1=CC=C(C(O)O)O1 C20901 [0,2,0,0,0,0|1,1,0]=4 57 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [0,0,1,1,0,0|1,0,1]=4 58 B9R1.69 CC1=CC(C)=C(C)C=C1 C14533 [0,0,1,1,0,0|2,0,0]=4 59 B9R1.69 CC1=CC(C)=C(N)C=C1 C11003 [0,0,1,1,0,0|2,0,0]=4 60 B9R1.69 CC1=CC(C)=C(O)C=C1 C14582 [0,0,1,1,0,0|1,1,0]=4 61 B9R1.2 CC1=CC=CC(C=O)=C1 C07209 [1,0,0,0,0,1|1,0,0]=3 62 B9R1.2 CCC1=CC=CC(C)=C1 C14522 [1,0,0,0,0,1|1,0,1]=4 63 B9R1.2 O=CC1=CC=CC(O)=C1 C03067 [1,0,0,0,0,1|2,0,0]=4 64 B9R1.13 O=C(O)CC1=CC=CS1 C02595 [1,0,0,0,0,1|1,0,0]=3 65 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 C14494 [0,0,0,0,0,2|2,0,0]=4 66 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 C06804 [0,0,0,0,0,2|2,0,0]=4 67 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 C01963 [0,0,0,0,0,2|1,0,0]=3 68 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 C13636 [0,0,0,0,0,2|2,0,0]=4 69 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 C12064 [0,0,0,0,0,2|2,0,0]=4