0 B14R2.20 CC1=CC=C(C2=NOC(N)=C2)C=C1 30882 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 53464 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.20 CN1CC[C@H](C2=CC=C(Br)C=C2)C1 88305 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 86951 [0,0,0,0,0,0|0,2,2]=4 4 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=NN1 W15035 [0,0,0,0,0,0|2,1,1]=4 5 B14R2.20 NC1=NC(C2=CC=C(I)C=C2)=CS1 29787 [0,0,0,0,0,0|0,2,2]=4 6 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 O11290 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 C73927 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65772 [0,0,0,0,0,0|3,1,0]=4 9 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65720 [0,0,0,0,0,0|3,1,0]=4 10 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65771 [0,0,0,0,0,0|3,1,0]=4 11 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 W10423 [0,0,0,0,0,0|3,0,0]=3 12 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [0,0,0,0,0,0|1,1,1]=3 13 B14R2.20 OC1=CC(C2=CC=C(Br)C=C2)=NO1 AC3926 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [1,0,0,0,0,0|0,0,2]=3 16 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [1,0,0,0,0,0|1,1,1]=4 23 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [1,0,0,0,0,0|1,1,1]=4 24 B13R2.12 BrC1=CC=C(C2=NC=CO2)C=C1 81722 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.12 BrC1=CC=C(N2N=CC=N2)C=C1 W10417 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59894 [1,0,0,0,0,0|1,0,2]=4 27 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59895 [1,0,0,0,0,0|1,0,2]=4 28 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10526 [1,0,0,0,0,0|1,0,2]=4 29 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10902 [1,0,0,0,0,0|1,0,2]=4 30 B13R2.12 BrC1=CC=C([C@@H]2CCCO2)C=C1 88342 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 28112 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 65770 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.12 NC1=CC=C(C2=NOC=N2)C=C1 AB22802 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.275 NCC1=NC(C2=CC=C(Br)C=C2)=CN1 68085 [0,1,0,0,0,0|1,0,2]=4 35 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [0,0,1,0,0,0|3,0,0]=4 39 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [0,0,1,0,0,0|3,0,0]=4 41 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 AC4848 [0,0,0,0,1,0|1,0,1]=3 42 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,0,0,0,1,0|2,1,0]=4 43 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 AC1673 [0,0,0,0,1,0|2,0,1]=4 44 B13R2.147 O[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 91837 [0,0,0,0,1,0|2,0,1]=4 45 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 C76712 [0,0,0,0,0,1|3,0,0]=4 46 B12R1.12 N#C[C@@H](CO)C1=CC=C(Br)C=C1 86253 [1,0,1,0,0,0|0,0,2]=4 47 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,0,1,0,0,0|1,0,1]=4 48 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,0,1,0,0,0|2,0,0]=4 50 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [2,0,0,0,0,0|0,0,2]=4 51 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 Y10469 [0,1,1,0,0,0|2,0,0]=4 52 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 Y10886 [0,1,1,0,0,0|2,0,0]=4 53 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC2351 [0,1,1,0,0,0|2,0,0]=4 54 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93870 [0,1,1,0,0,0|2,0,0]=4 55 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93892 [0,1,1,0,0,0|2,0,0]=4 56 B14R2.4398 N[C@@]1(C2=CC=C(Br)C=C2)CCOC1 P11070 [1,1,0,0,0,0|1,0,1]=4 57 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 83820 [0,0,1,1,0,0|2,0,0]=4 58 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11100 [0,0,1,1,0,0|2,0,0]=4 59 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W12440 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)N1 N13010 [0,0,1,1,0,0|2,0,0]=4 61 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,0,1,0,1,0|2,0,0]=4 62 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,0,1,0,1,0|2,0,0]=4 63 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,0,1,0,1,0|2,0,0]=4 64 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,0,1,0,1,0|2,0,0]=4 65 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,0,1,0,1,0|2,0,0]=4 69 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,0,1,0|1,0,1]=4 70 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,0,1,0|1,0,1]=4 71 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,0,1,0|2,0,0]=4 72 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 F52110 [1,0,0,0,1,0|1,0,1]=4 73 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 85616 [1,0,0,0,1,0|1,0,1]=4 74 B12R2.2302 NC1=CC=C(C2COC2)C=C1 85368 [1,0,0,0,1,0|1,0,1]=4 75 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [0,0,0,0,2,0|0,0,1]=3 76 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [0,0,0,0,2,0|0,1,1]=4 77 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [0,0,0,0,2,0|0,1,1]=4 78 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [0,0,0,0,2,0|0,1,1]=4 79 B12R2.79 N[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 P16407 [0,0,0,0,2,0|1,0,1]=4