0 B9R1.23 O=CC1=CC(Br)=C(Br)O1 BB17-1111 [1,0,0,0,0,0|1,2,0]=4 1 B9R1.35 CC1=CC(C(N)=O)=NO1 BB12-1502 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 O=C(O)C1=NC(Cl)=NN1 BB53-2032 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 BB12-1864 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 BB17-0545 [0,0,0,0,0,1|2,0,1]=4 9 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [0,0,0,0,0,1|2,0,0]=3 10 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BB10-1202 [0,0,0,0,0,1|3,0,0]=4 11 B11R1.80 CC(=O)NC1=NC(C)=C(Br)S1 BB12-1721 [0,0,0,0,0,1|2,1,0]=4 12 B8R1.1 CC1=CC(C=O)=NN1 BB12-3191 [2,0,0,0,0,0|2,0,0]=4 13 B8R1.1 CC1=CSC(CO)=N1 BB12-3372 [2,0,0,0,0,0|1,0,1]=4 14 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.31 CCC1=CC(C(=O)O)=NN1 BB56-2146 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 BB26-0154 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.194 CC1=C(C)C(C(=O)O)=NN1 BB17-3005 [1,1,0,0,0,0|2,0,0]=4 18 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BB26-0368 [0,1,0,0,0,1|2,0,0]=4 19 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB26-0367 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.56 NNC1=CC(C(=O)O)=CC=C1Cl BB56-0613 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1C BB12-4724 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BB12-4680 [0,1,0,0,0,1|2,0,0]=4 23 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 BB17-0831 [0,1,0,0,0,1|2,0,0]=4 24 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=C1 BB12-4595 [0,1,0,0,0,1|2,0,0]=4 25 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 BB17-0815 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br BB12-4597 [0,1,0,0,0,1|1,1,0]=4 27 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1N BB17-0446 [0,1,0,0,0,1|1,0,0]=3 28 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N BB12-4598 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 BB12-4678 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 BB12-4611 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 BB12-4610 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.1005 O=C(O)C1=CC(Cl)=C(I)C(Cl)=C1 BB12-4720 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1O BB12-4699 [0,1,0,0,0,1|1,1,0]=4 34 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0394 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.511 CC1=CC(I)=CC(C(=O)O)=C1O BB17-1056 [0,1,0,0,0,1|1,1,0]=4 36 B12R1.511 CC1=CC(N)=CC(C(=O)O)=C1O BB17-0393 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Cl BB17-0405 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.511 NC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0739 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.511 O=C(O)C1=C(Br)C(Cl)=CC(Cl)=C1 BB12-5104 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.511 O=C(O)C1=C(I)C(Cl)=CC(Cl)=C1 BB17-0679 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.511 O=C(O)C1=C(O)C(Br)=CC(Cl)=C1 BB12-4702 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 BB17-0687 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.699 CC1=C(C#N)C(N)=C(C(=O)O)S1 BB10-0032 [0,2,0,0,0,0|1,0,1]=4 44 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 BB12-1787 [0,1,0,1,0,0|1,0,0]=3 45 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [1,0,0,0,0,1|1,0,0]=3 46 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [1,0,0,0,0,1|0,0,0]=2 47 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C BB56-0554 [0,0,0,0,0,2|2,0,0]=4 48 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 BB56-2546 [0,0,0,0,0,2|1,1,0]=4