0 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.58 CN1N=C(C(=O)O)N=C1Br 4087511 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.58 CN1N=C(C(=O)O)NC1=O 4110482 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.23 CC1=C(C)SC(CO)=N1 4032316 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC1=CSC(B(O)O)=C1 3200981 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CN1C=NC(C(=O)O)=N1 4110445 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [1,0,0,0,0,0|1,2,0]=4 17 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [1,0,0,0,0,0|1,1,0]=3 18 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [1,0,0,0,0,0|0,1,0]=2 24 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [1,0,0,0,0,0|0,1,0]=2 25 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4013433 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 7297996 [0,1,0,0,0,0|1,1,0]=3 31 B11R1.48 CCN1N=C(C(=O)O)C=C1C 4110472 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.672 CC1=C(Br)C(C(=O)O)=NN1C 4039956 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C 4040124 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4030047 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [0,0,0,0,0,1|2,1,0]=4 42 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4045249 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 4045251 [0,0,0,0,0,1|2,1,0]=4 45 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 4088020 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 7556668 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.74 CC1=CC(C(=O)O)=NC(C)=N1 4002748 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 4004177 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl 4041530 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.1 CC1=CC(C=O)=NN1 4002200 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.1 CC1=CC=C(C=O)N1 4036670 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.1 CC1=CNC(C=O)=N1 4301882 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.1 CC1=CSC(CO)=N1 4021474 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.1 CC1=CSC(CO)=N1 4089181 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.1 CC1=NOC(C=O)=C1 4034847 [2,0,0,0,0,0|1,1,0]=4 56 B8R1.1 CN1C=CC(C=O)=C1 4300823 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.7 O=C(O)C1=CC=NS1 4031031 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.7 O=C(O)C1=CSC=N1 2402329 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.7 O=C(O)C1=NNC=C1 3001705 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.7 O=C(O)C1=NOC=C1 2402252 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.14 CCC(=O)C1=CC=C(Br)S1 4303054 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.14 CNC(=O)C1=CC=C(Br)S1 9071495 [1,1,0,0,0,0|1,1,0]=4 65 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.31 CCC1=CC(C(=O)O)=NO1 4402580 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.31 CCC1=NNC(C(=O)O)=C1 4003315 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.31 CCC1=NOC(C(=O)O)=C1 4402567 [1,1,0,0,0,0|1,1,0]=4 70 B10R1.31 N#CC1=CNC(C(=O)O)=C1 4045693 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.31 NCC1=CC=C(C(=O)O)O1 4141271 [1,1,0,0,0,0|1,1,0]=4 72 B10R1.31 NCC1=CC=C(C(=O)O)S1 4003254 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.31 O=C(O)C1=CC=C(CO)O1 4004044 [1,1,0,0,0,0|1,1,0]=4 74 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 4047669 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 4040661 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 4141810 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 3002948 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 4032427 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 4400228 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.194 CC1=C(C(=O)O)C=CN1C 4045412 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.194 CC1=NNC(C(=O)O)=C1Br 4013432 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.194 CC1=NNC(C(=O)O)=C1Cl 4041494 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [0,1,0,0,0,1|1,1,0]=4 86 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 4003369 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=C1 4400285 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 4023547 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 4045084 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.11 CCC1=CC(C(=O)O)=CC(=O)N1 4041515 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.11 COC1=CC(C(=O)O)=CC(O)=C1 4109664 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.358 COC(=O)C1=NC(Cl)=NC(N)=C1 4110421 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.511 CC1=CC(N)=CC(C(=O)O)=C1O 4043368 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,0,1,1,0,0|2,0,0]=4 97 B10R1.54 CC1=CN(CC(=O)O)N=C1 4028024 [1,0,0,0,0,1|2,0,0]=4 98 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 4030379 [0,0,0,0,0,2|2,0,0]=4