0 B14R2.11645 CCC1=CC=CC2=C1NC(=O)C2=O 61516 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O 23282 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.581 COC1=CC=CC2=C1N=C(Cl)S2 F15172 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 26051 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.581 COC1=CC=CC2=C1NC(=O)C2 27208 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.581 COC1=CC=CC2=C1NC(=O)O2 D81494 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O 63146 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.4825 C[C@@H]1C(=O)NC2=C(F)C=CC=C21 P16618 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 64557 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 23030 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 21301 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 S11983 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 D82181 [0,0,1,0,0,0|2,0,0]=3 13 B15R2.20937 COC1=C2NC(=O)C=C(O)C2=CC=C1 D80246 [0,0,0,0,0,1|1,0,0]=2 14 B15R2.20937 COC1=CC=CC2=C1NC(=O)NC2=O W10307 [0,0,0,0,0,1|1,0,1]=3 15 B15R2.20937 COC1=CC=CC2=C1NC(=O)OC2=O 63822 [0,0,0,0,0,1|1,0,1]=3 16 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 75868 [1,0,1,0,0,0|1,0,1]=4 17 B12R1.440 CCC1=CC=CC(C(=O)O)=C1N D80934 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.440 COC1=C(Br)C(C(=O)O)=CC=C1 CL8024 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=C1 TD1043 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 81905 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.440 COC1=CC=CC(C(=O)O)=C1C 63126 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.440 COC1=CC=CC(C(=O)O)=C1N 51057 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.440 COC1=CC=CC(C(=O)O)=C1O F52710 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1N CL8583 [1,0,1,0,0,0|0,0,2]=4 25 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 F11410 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 N11926 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 D88200 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 FD7366 [1,0,1,0,0,0|0,1,0]=3 29 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 N10380 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.371 CC1=C(NC(=O)CCl)C=CC=C1 71025 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.371 CC1=C(NC(=S)NN)C=CC=C1 D77807 [1,0,1,0,0,0|1,1,0]=4 32 B12R1.371 NNC(=O)NC1=C(Cl)C=CC=C1 W18576 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.438 COC1=CC=CC(CC(=O)Cl)=C1 D97427 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 CK2074 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 34187 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 64241 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.438 COC1=CC=CC(NC(N)=S)=C1 W17013 [1,0,1,0,0,0|0,1,0]=3 38 B12R1.1879 COC1=CC=CC(OC)=C1C=O F10458 [1,0,1,0,0,0|2,0,0]=4 39 B12R2.315 COC1=C2C=CNC2=CC=C1 29334 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.315 COC1=C2C=CNC2=NC=C1 82146 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.315 COC1=C2C=NNC2=CC=C1 25909 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.315 COC1=C2CCNC2=CC=C1 BL002350 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.315 COC1=C2CCNC2=CC=C1 D83135 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.315 COC1=C2NC=CC2=CC=C1 63980 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.315 COC1=C2NCCC2=CC=C1 D82696 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.315 COC1=C2NN=CC2=CC=C1 27060 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.315 COC1=C2OC=CC2=CC=C1 33540 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 48874 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 RB3322 [2,0,0,0,0,0|1,0,0]=3 50 B12R2.202 CC1=CC=CC2=C1N=C(Cl)N2 67431 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.202 CC1=CC=CC2=C1NC(=O)C2 O11661 [2,0,0,0,0,0|1,0,0]=3 52 B12R2.202 CC1=CC=CC2=C1NC(=O)N2 O11256 [2,0,0,0,0,0|0,0,0]=2 53 B12R2.202 CC1=CC=CC2=C1NC(=S)N2 C74410 [2,0,0,0,0,0|0,1,0]=3 54 B12R2.202 CC1=CC=CC2=C1NC(=S)S2 D82568 [2,0,0,0,0,0|1,1,0]=4 55 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D75830 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.202 CC1=CC=NC2=C1NC(=O)N2 30504 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 BL002803 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 23496 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 84276 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 82144 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 BL006424 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 33874 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 61126 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.202 O=C1NC2=C(F)C=CC=C2O1 P15214 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 O11648 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 AC1962 [2,0,0,0,0,0|1,1,0]=4 67 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 79476 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 W11509 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=C2 D84199 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 AT10673 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O D70304 [2,0,0,0,0,0|1,0,1]=4 72 B14R1.41 COC1=C(O)C=CC([C@@H](O)C(=O)O)=C1 D90829 [0,1,1,0,0,0|2,0,0]=4 73 B14R2.1072 COC1=CC=CC2=C1NC=C2C=O F13957 [1,1,0,0,0,0|1,0,1]=4 74 B14R2.712 O=C1NC2=CC=CC([N+](=O)[O-])=C2N1 D82509 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.11690 COC1=CC=CC2=C1C(=O)C(=O)N2 50156 [1,1,0,0,0,0|1,0,0]=3 76 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 D70173 [1,1,0,0,0,0|1,0,1]=4 77 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 61357 [1,1,0,0,0,0|1,0,1]=4 78 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O CL3515 [0,0,1,1,0,0|1,0,1]=4 79 B14R2.11689 COC1=C2C(C=O)=CNC2=CC=C1 CL3466 [0,0,1,1,0,0|2,0,0]=4 80 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 N12422 [0,0,1,0,1,0|2,0,0]=4 81 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 H10356 [0,0,1,0,1,0|2,0,0]=4 82 B12R1.77 COC1=C(C(=O)C#N)C=CC=C1 AB1477 [0,0,1,0,1,0|2,0,0]=4 83 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 86709 [0,0,1,0,1,0|2,0,0]=4 84 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 AC8262 [0,0,1,0,1,0|1,0,0]=3 85 B14R2.8045 CC1=CC=CC2=C1NC(=O)OC2=O 59401 [1,0,0,0,0,1|1,0,1]=4 86 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 24575 [0,0,0,0,1,1|1,0,1]=4