0 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB_SC-03840 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.58 CN1N=C(C(=O)O)N=C1Cl BB_SC-12082 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [1,0,0,0,0,0|1,2,0]=4 3 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.35 CC1=CC(C(=O)O)=NO1 BB_SC-09038 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=NNC(C(=O)O)=C1 BB_SC-01241 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 CC1=NOC(C(=O)O)=C1 BB_SC-09172 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CN1C=CC(C(=O)O)=N1 BB_SC-06189 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BB_SC-10605 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [1,0,0,0,0,0|0,1,0]=2 11 B9R1.35 O=C(O)C1=CN=C(Br)S1 BB_SC-05194 [1,0,0,0,0,0|1,2,0]=4 12 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB_SC-05193 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 O=C(O)C1=NNC(Cl)=N1 BB_SC-09708 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 O=C1C=C(C(=O)O)NN1 BB_SC-04251 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 BB_SC-06208 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 BB_SC-07921 [0,0,0,0,0,1|3,0,0]=4 17 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BB_SC-09640 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BB_SC-10660 [0,0,0,0,0,1|2,1,0]=4 19 B11R1.21 NC1=CC=C(C(=O)O)C=C1N BB_SC-02405 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BB_SC-05037 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BB_SC-03271 [0,0,0,0,0,1|1,2,0]=4 22 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BB_SC-03262 [0,0,0,0,0,1|1,1,0]=3 23 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BB_SC-04580 [0,0,0,0,0,1|2,1,0]=4 24 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 BB_SC-04572 [0,0,0,0,0,1|1,2,0]=4 25 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BB_NC-02256 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 BB_SC-09506 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BB_SC-10583 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 BB_SC-04570 [0,0,0,0,0,1|1,0,0]=2 29 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 BB_NC-02257 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BB_NC-01990 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BB_NC-02208 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BB_NC-02936 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.1 O=CC1=CC=C(Br)S1 BB_SC-07348 [2,0,0,0,0,0|0,2,0]=4 36 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [2,0,0,0,0,0|0,0,0]=2 42 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BB_SC-10312 [1,1,0,0,0,0|1,1,0]=4 45 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB_SC-03794 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 BB_SC-00668 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BB_SC-02514 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.59 CN1C=C(Br)C=C1C(=O)O BB_SC-11393 [1,1,0,0,0,0|1,1,0]=4 49 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=N1 BB_SC-07322 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB_NC-03101 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl BB_SC-08287 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 BB_SC-07321 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.893 CC(=O)C1=CC=C(Cl)C(Cl)=C1Cl BB_SC-07253 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Cl)C=N1 BB_SC-03097 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl BB_SC-09028 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.511 CC(=O)C1=C(O)C(Cl)=CC(Cl)=C1 BB_SC-06881 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.511 NC1=C(Cl)C=C(Cl)C=C1C(=O)O BB_SC-07113 [0,1,0,0,0,1|1,0,0]=3 58 B12R1.511 O=C(O)C1=CC(Cl)=CC(I)=C1O BB_SC-00180 [0,1,0,0,0,1|1,1,0]=4 59 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [0,0,1,1,0,0|2,0,0]=4 60 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB_SC-04632 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [0,0,1,1,0,0|2,0,0]=4