0 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O M51201 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.573 COC1=C2C=CN(C)C2=NC=C1 M27225 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.573 COC1=C2NC=C(I)C2=NC=C1 K48384 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.573 COC1=CC=CC2=C1NN=C2I K48381 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.581 COC1=C2C=C(C)NC2=NC=C1 M22953 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 A24194 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 M60833 [1,0,0,0,0,0|1,0,0]=2 7 B13R2.581 N#CC1=CC=CC2=C1CC(=O)N2 X11161 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O M37436 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 B3855 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 B61898 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O B47383 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O C47391 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 M52820 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 C49814 [0,0,1,0,0,0|2,0,0]=3 15 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 M61518 [1,0,1,0,0,0|1,0,1]=4 16 B12R1.440 COC1=C(Br)C(C(=O)O)=CC=C1 B32255 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=C1 C68934 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 F37044 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.440 COC1=CC=CC(C(=O)O)=C1C M39537 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.440 COC1=CC=CC(C(=O)O)=C1N A10799 [1,0,1,0,0,0|1,0,0]=3 21 B12R1.440 COC1=CC=CC(C(=O)O)=C1O M69038 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.440 COC1=CC=CC(C(C)=O)=C1N A50070 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1N M37941 [1,0,1,0,0,0|0,0,2]=4 24 B12R1.440 COC1=NC=CC(C(=O)O)=C1N A69509 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.371 CC1=C(NC(=S)NN)C=CC=C1 M68967 [1,0,1,0,0,0|1,1,0]=4 29 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 M46874 [1,0,1,0,0,0|1,0,0]=3 30 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.1879 COC1=CC=CC(OC)=C1C=O D9394 [1,0,1,0,0,0|2,0,0]=4 34 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.315 COC1=C2C=CNC2=CC=C1 M2322 [2,0,0,0,0,0|1,0,0]=3 36 B12R2.315 COC1=C2C=CNC2=CN=C1 M15509 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.315 COC1=C2C=CNC2=NC=C1 M3804 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.315 COC1=C2C=NNC2=CC=C1 M7685 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.315 COC1=C2NC=CC2=CC=C1 M2324 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.315 COC1=C2NC=CC2=CN=C1 M15521 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.315 COC1=C2NC=CC2=NC=C1 M15523 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.315 COC1=C2NC=NC2=CC=C1 M48806 [2,0,0,0,0,0|0,0,1]=3 43 B12R2.315 COC1=C2NN=CC2=CC=C1 M12706 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.315 COC1=CC=CC2=C1C=CS2 M63543 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.315 COC1=NC=CC2=C1C=CN2 M15512 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.315 COC1=NC=CC2=C1NC=C2 M12031 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 M38358 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.202 CC1=CC=CC2=C1NC(=S)S2 M48563 [2,0,0,0,0,0|1,1,0]=4 52 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D63300 [2,0,0,0,0,0|1,0,1]=4 53 B12R2.202 CC1=CC=CC2=C1NC(Cl)=N2 C48336 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 M48820 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 C44541 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.202 O=C1NC2=CN=CC(Br)=C2N1 B36629 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 M62649 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 M62647 [2,0,0,0,0,0|2,0,0]=4 73 B14R2.535 O=C1CC2=C(C=CC=C2CCO)N1 H52561 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.712 CC(=O)C1=CC=CC2=C1NC(=O)O2 A51207 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.1726 COC1=C2C=C(C)NC2=C(F)C=C1 F60320 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 C50876 [1,1,0,0,0,0|1,0,1]=4 77 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 D53926 [1,1,0,0,0,0|1,0,1]=4 78 B16R2.36854 COC1=CC=CC2=C1C(=O)OC(=O)N2C M66006 [0,1,0,0,0,1|2,0,0]=4 79 B16R2.36854 COC1=CC=CC2=C1C(O)=CC(=O)N2C H66752 [0,1,0,0,0,1|2,0,0]=4 80 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O M16125 [0,2,0,0,0,0|1,0,1]=4 81 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O M1239 [0,0,1,1,0,0|1,0,1]=4 82 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 B51907 [0,0,1,0,1,0|2,0,0]=4 83 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 A52119 [0,0,1,0,1,0|2,0,0]=4 84 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O M51391 [1,0,0,0,0,1|1,0,1]=4 85 B14R2.8045 CC1=CC=CC2=C1NC(=O)OC2=O M61150 [1,0,0,0,0,1|1,0,1]=4 86 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 M51200 [0,0,0,0,1,1|1,0,1]=4