0 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [1,0,0,0,0,0|2,1,0]=4 2 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [1,0,0,0,0,0|1,2,0]=4 11 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [1,0,0,0,0,0|1,2,0]=4 13 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [1,0,0,0,0,0|0,2,0]=3 19 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [1,0,0,0,0,0|0,1,0]=2 21 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4013433 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 7297996 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4045249 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 4045251 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 4088020 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 7556668 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.74 CC1=CC(C(=O)O)=NC(C)=N1 4002748 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 4004177 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl 4041530 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.1 CC1=CC=C(C=O)N1 4036670 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.1 CC1=NOC(C=O)=C1 4034847 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [2,0,0,0,0,0|1,1,0]=4 39 B8R1.7 N=C(N)C1=CC=CO1 4030998 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.7 O=C(O)C1=CC=NS1 4031031 [2,0,0,0,0,0|1,1,0]=4 41 B8R1.7 O=C(O)C1=CSC=N1 2402329 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.7 O=C(O)C1=NNC=C1 3001705 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.7 O=C(O)C1=NOC=C1 2402252 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.14 CC1=CC=C(C(=O)NN)O1 4043578 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.14 CC1=CC=C(\C(N)=N\O)O1 4042580 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.14 CNC(=O)C1=CC=C(Br)O1 7344619 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.14 COC(=O)C1=CC(Br)=NO1 4110577 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.31 CCC1=NOC(C(=O)O)=C1 4402567 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.31 N#CC1=CNC(C(=O)O)=C1 4045693 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.31 NCC1=CC=C(C(=O)O)O1 4141271 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.31 NCC1=CC=C(C(=O)O)S1 4003254 [1,1,0,0,0,0|1,1,0]=4 54 B10R1.31 O=C(O)C1=CC=C(CO)O1 4004044 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 4047669 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 4040661 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 4401488 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 4023547 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 4045084 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.358 COC(=O)C1=NC(Cl)=NC(N)=C1 4110421 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 3005426 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.68 CCC1=C(CCl)C=C(C(N)=O)O1 9071731 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,0,1,1,0,0|2,0,0]=4