0 B12R2.612 BrC1=NC2=C(C=C1)C(I)=NN2 C72437 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.612 BrC1=NC=C2C(=C1)NN=C2Br 79000 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 CC1=NC=C2C=C(Br)C=CN21 D70563 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.612 CC1=NNC2=C1C=NC(Cl)=N2 D73144 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 CC1=NNC2=C1N=CC(Cl)=N2 D79098 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.612 CN1N=CC2=CC(Cl)=NC=C21 Y10961 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.612 ClC1=CC2=C(C=N1)C(Br)=NN2 79012 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.612 ClC1=CN=C2C(=C1)NN=C2Br 90668 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.612 FC1=CN2C=NC(I)=C2C=C1 84526 [0,0,0,0,0,0|3,1,0]=4 12 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 P18085 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [0,0,0,0,0,0|2,1,1]=4 14 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,0,0,0,0,0|2,0,1]=3 15 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,0,0,0,0,0|2,1,1]=4 17 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [0,0,0,0,0,0|1,1,2]=4 18 B12R2.612 OB1OCC2=C1C=CC(Cl)=C2 W19267 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,0,0,0,0,0|3,0,1]=4 20 B11R2.1 ClC1=NNC2=CC=CN=C21 24272 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.36 BrC1=CC2=NSC=C2C=C1 D84732 [1,0,0,0,0,0|2,1,0]=4 25 B11R2.36 BrC1=CN=C2C=COC2=C1 W19090 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.36 CC1=CC2=CN=CN2C=C1 D80112 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 ClC1=CN2C=NC=C2C=C1 84520 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.36 ClC1=NC2=C(C=CO2)C=C1 D79572 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.36 ClC1=NC2=C(C=CS2)C=C1 C75923 [1,0,0,0,0,0|2,1,0]=4 30 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [1,0,0,0,0,0|1,1,0]=3 31 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.36 NC1=CN=C2C=NNC2=C1 P12868 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.662 NCC1=NOC2=C1C=CC(Cl)=C2 28173 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.2130 NCC1=CC2=C(C=C1)C(N)=NN2 P11903 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.2130 O=CC1=CC2=C(C=C1)C(Cl)=NN2 78711 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.5180 O=C1NOC2=C1C=CC(F)=C2F W15602 [0,1,0,0,0,0|0,1,2]=4 38 B13R2.5187 CN1N=C(N)C2=C1C=C(F)C=C2 D79725 [0,1,0,0,0,0|2,1,0]=4 39 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(Cl)C=C2 Y14560 [0,1,0,0,0,0|2,0,1]=4 40 B13R2.11634 CC1=NNC2=CC(Br)=C(F)C=C21 P12751 [0,1,0,0,0,0|2,1,0]=4 41 B13R2.11634 O[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 Y13968 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.11642 CC1=CC(Cl)=C2C(=C1)NN=C2N 51628 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.11642 CC1=NNC2=CC(Br)=CC(F)=C21 W14693 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 38167 [0,0,1,0,0,0|3,0,0]=4 46 B13R2.3683 BrC1=CC=C2C=C(Br)N=NC2=C1 F50936 [0,0,0,0,0,1|2,1,0]=4 47 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 79254 [0,0,0,0,0,1|2,1,0]=4 48 B13R2.3683 ClC1=CC2=CC=C(Cl)N=C2C=N1 O10626 [0,0,0,0,0,1|3,0,0]=4 49 B13R2.3683 ClC1=CC=C2N=C(Cl)N=CC2=C1 83934 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.3683 FC1=NC=C2N=C(Cl)C=CC2=C1 D79621 [0,0,0,0,0,1|3,0,0]=4 51 B13R2.3683 NC1=NC=C2C=C(Cl)C=CC2=C1 68518 [0,0,0,0,0,1|2,0,0]=3 52 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 W17778 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [0,0,0,0,0,1|3,0,0]=4 55 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NN=C1 D80371 [0,0,0,0,0,1|2,1,0]=4 56 B13R2.5179 ClC1=CC=C2C(Br)=CN=CC2=C1 K10019 [0,0,0,0,0,1|2,0,0]=3 57 B13R2.5179 ClC1=CC=C2C(Cl)=NC=NC2=N1 37320 [0,0,0,0,0,1|3,0,0]=4 58 B13R2.5179 ClC1=CN=C2C(=C1)N=CN=C2Cl P12294 [0,0,0,0,0,1|3,0,0]=4 59 B13R2.5179 ClC1=NC=C2C(=C1)C=CN=C2Cl CS2988 [0,0,0,0,0,1|3,0,0]=4 60 B13R2.5179 FC1=CC=C2C(Br)=CN=CC2=C1 K10011 [0,0,0,0,0,1|2,1,0]=4 61 B13R2.5179 NC1=C2C=CC(Cl)=CC2=CN=C1 K10020 [0,0,0,0,0,1|2,0,0]=3 62 B13R2.5179 NC1=CC=C2C(Cl)=CN=CC2=C1 73657 [0,0,0,0,0,1|3,0,0]=4 63 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11532 [0,0,0,0,0,1|2,0,1]=4 64 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11552 [0,0,0,0,0,1|2,0,1]=4 65 B13R2.5179 O=C1COCC2=C1C=CC(Br)=C2 71881 [0,0,0,0,0,1|1,1,1]=4 66 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [0,0,0,0,0,1|3,0,0]=4 67 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [0,0,0,0,0,1|3,0,0]=4 68 B12R1.226 O=C(O)COC1=NC=CC(Cl)=C1 W18283 [0,1,1,0,0,0|2,0,0]=4 69 B12R2.1 OCC1=C2C=CC=CN2C=N1 P15497 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [1,1,0,0,0,0|1,0,1]=4 71 B12R2.132 OC1=CC2=C(C=C1)NN=C2Br 83344 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.82 CC1=C(Br)C=CC2=C1NN=C2 F18482 [1,1,0,0,0,0|1,1,0]=4 74 B12R2.82 FC1=C(Cl)C=CC2=C1NC=C2 W19144 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.100 FC1=C(Cl)C=C2NN=CC2=C1 37380 [1,1,0,0,0,0|1,0,0]=3 76 B12R2.100 NC1=C(Cl)C=C2NN=CC2=C1 C74135 [1,1,0,0,0,0|1,0,0]=3 77 B12R2.246 BrC1=CC(I)=C2C=NNC2=C1 P10627 [1,1,0,0,0,0|1,1,0]=4 78 B12R2.246 CC1=CC(Cl)=NC2=C1C=NN2 D78818 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.246 CC1=CC(F)=C2C=NNC2=C1 C76941 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.246 ClC1=CN2C=NC=C2C(Br)=C1 C91441 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.246 OC1=CC(Cl)=C2C=NNC2=C1 C76974 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.300 O=C(O)C1=NNC2=C1C=CC(Cl)=N2 D97118 [0,2,0,0,0,0|2,0,0]=4 83 B14R2.300 O=C(O)C1=NNC2=C1C=CC(I)=C2 F51305 [0,2,0,0,0,0|1,1,0]=4