0 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 4003300 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4030047 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.21 CN1N=C(C(=O)O)C=CC1=O 4000134 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 4033986 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 4004240 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4088790 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.266 COC1=CC=CC(B(O)O)=C1 4200602 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 4044349 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.50 COC1=CC(S(=O)(=O)Cl)=CC=C1Br 4041316 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.3091 COC1=CC=C(B(O)O)C=C1OC 4200604 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.3230 CCN1C(=O)C(C(=O)O)=CC=C1C 4030809 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 4028286 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 4026804 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 4003349 [0,0,0,1,0,0|1,1,1]=4 22 B10R1.113 CC1=CC(B(O)O)=CC=C1 4200594 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.113 CC1=NC(C(=O)O)=CC=N1 4029632 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [2,0,0,0,0,0|0,1,0]=3 34 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 4003369 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=C1 4400285 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.232 CC1=CC(=O)C(C(=O)O)=CN1C 4050899 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 4023547 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.367 CC1=CC=C(C(=O)CCl)C=C1C 4032725 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.367 CC1=CC=C(C(=O)NN)C=C1C 3014932 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4028100 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4040035 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4090013 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.893 CC1=CC=C(C(=O)O)C(=O)N1C 4026285 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 4045084 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.11 CCC1=CC(C(=O)O)=CC(=O)N1 4041515 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.11 COC1=CC(C(=O)O)=CC(O)=C1 4109664 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.11 COC1=CC(N)=CC([N+](=O)[O-])=C1 4009255 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.258 O=C(O)C1=CC(B(O)O)=CC=C1 3200595 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 3002116 [1,1,0,0,0,0|0,0,0]=2 61 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 3000300 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 4027056 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.279 COCC1=NC(C(=O)O)=CC=C1 4044384 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 4045138 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.453 CCC1=CC=C(N)C(C(=O)O)=C1 6689315 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 4004227 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.270 C=CCC1=CC(C=O)=CC=C1O 6474172 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.3405 COC1=CC(NC(=O)CCl)=CC=C1Cl 7442091 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.31 COC1=C(C(C)C)C=C(C(C)=O)C=C1 4110460 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.1864 COC(=O)C1=CC(CCl)=C(OC)C=C1 4001622 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.441 C=CCC1=C(OC)C=CC(C(=O)O)=C1 7022461 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.441 COCC1=CC(C(=O)O)=CC=C1OC 6524994 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 4027793 [0,0,1,1,0,0|1,0,1]=4 78 B12R2.44 NNC1=CC=C2OCOC2=C1 4003163 [1,0,0,1,0,0|2,0,0]=4 79 B14R2.1197 COC1=CC2=C(C=C1N)NC(=O)N2 4028462 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 4029335 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)O1 4013749 [0,1,0,1,0,0|1,0,0]=3 82 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 4000015 [0,1,0,1,0,0|1,1,0]=4 83 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 4042992 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 9071010 [0,1,0,1,0,0|1,1,0]=4 85 B14R2.781 O=C(O)C1=CC=C2OCCCC2=C1 4017189 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.781 O=C(O)C1=CC=C2OCCOC2=C1 4003145 [0,1,0,1,0,0|0,0,0]=2 87 B14R2.624 NC(=O)C1=CC2=C(C=C1Br)OCO2 9071914 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [1,0,0,0,1,0|2,0,0]=4 89 B10R1.194 CC1=C(C(=O)O)C=CN1C 4045412 [1,0,0,0,1,0|2,0,0]=4 90 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [1,0,0,0,1,0|2,0,0]=4 91 B12R1.57 CCC1=NC(O)=CC=C1C(=O)O 4057597 [0,0,0,0,1,1|1,0,0]=3 92 B12R1.87 COC1=C(C)C=CC=C1C(=O)O 4027500 [0,0,0,0,1,1|1,0,0]=3 93 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 6524773 [0,0,0,0,0,2|1,0,0]=3