0 B9R1.35 CC1=CC=C(C(=N)N)O1 BB12-3708 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 NC1=NNC(C(=O)O)=N1 BB53-2042 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 O=C(O)C1=NC(Cl)=NN1 BB53-2032 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 O=C1NN=C(C(=O)O)N1 BB12-3315 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 O=[N+]([O-])C1=CNC(Cl)=N1 BB12-1878 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 OCC1=CC=C(Br)O1 BB90-0114 [1,0,0,0,0,0|0,2,1]=4 10 B8R1.7 O=C(O)C1=CN=NN1 BB90-0079 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=CNN=C1 BB01-4399 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 OB(O)C1=CC=CO1 BB56-0777 [1,0,0,0,0,0|1,1,1]=4 14 B10R1.14 CC1=CC=C(\C(N)=N/O)O1 BB12-3494 [0,1,0,0,0,0|2,1,0]=4 15 B10R1.31 CCC1=NC(C(=O)O)=CO1 BB12-3563 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.31 CCC1=NC(C(=O)O)=CS1 BB12-3311 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 BB12-3381 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 BB26-0182 [0,1,0,0,0,0|2,1,0]=4 19 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 BB26-0154 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 BB12-3541 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 BB12-1896 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,0,0,0,0,1|2,1,0]=4 23 B10R1.13 NC(=O)C1=CC=C(N)N=N1 BB01-7655 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.13 NC(=O)C1=NNC(=O)C=C1 BB10-0123 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.13 O=C(Cl)C1=NN=C(Cl)C=C1 BB10-0141 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,0,0,0,0,1|1,1,0]=3 29 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [0,0,0,0,0,1|1,0,0]=2 31 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [0,0,0,0,0,1|0,0,0]=1 32 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,0,0,0,0,1|1,1,0]=3 34 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,0,1,0,0,0|0,0,2]=4 35 B9R1.23 O=CC1=CC(Br)=C(Br)O1 BB17-1111 [1,1,0,0,0,0|0,2,0]=4 36 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [1,1,0,0,0,0|1,1,0]=4 38 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.41 NC1=C(C(=O)O)NN=C1 BB55-4193 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [1,1,0,0,0,0|0,0,0]=2 43 B9R1.41 O=C(O)C1=C(Br)C=NN1 BB55-3823 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB56-2893 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 BB20-4586 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 BB12-3514 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [0,1,0,0,0,1|1,1,0]=4 50 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.22 COC(=O)C1=NNC(=O)C=C1 BB10-0119 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [0,1,0,0,0,1|1,1,0]=4 58 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 BB12-2178 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BB12-2212 [0,1,0,0,0,1|1,0,0]=3 61 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BB12-3222 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.23 N\C(=N/O)C1=CC(Cl)=NC=C1 BB12-3492 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BB10-1202 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BB12-4608 [0,1,0,0,0,1|1,1,0]=4 65 B11R1.159 O=C(O)C1=C(O)C(Cl)=CC=C1 BB12-4662 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 BB12-2280 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.44 CNC(=O)C1=CC=C(CCl)O1 BB12-3390 [0,2,0,0,0,0|1,1,0]=4 68 B11R1.44 COC(=O)C1=CC=C(CCl)O1 BB12-3464 [0,2,0,0,0,0|0,1,0]=3 69 B11R1.124 COCC1=CC=C(C(=O)O)O1 BB53-1836 [0,2,0,0,0,0|1,1,0]=4 70 B11R1.49 CCC1=C(C(=O)O)N=C(Cl)S1 BB26-0180 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 BB12-3625 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [1,0,0,0,0,1|1,0,0]=3 73 B9R1.13 N=C(N)CC1=CC=CS1 BB12-3709 [1,0,0,0,0,1|2,0,0]=4 74 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,0,0,0,0,2|2,0,0]=4 75 B11R1.75 NC(=O)\C=C\C1=CC=C(Br)S1 BB17-2532 [0,0,0,0,0,2|1,1,0]=4 76 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 BB17-2524 [0,0,0,0,0,2|0,1,0]=3