0 B13R2.57 COC1=CC2=CC=CN=C2C=C1 BBL027610 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BBL040738 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BBL011757 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 BBL011738 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [1,0,0,0,0,0|0,1,0]=2 5 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 BBL029380 [0,1,0,0,0,0|1,0,0]=2 6 B14R2.142 O=CC1=NC2=C(Cl)C=CC=C2C=C1 BBL010774 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 BBL017838 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.781 CN(C)C1=CC2=CC=CN=C2C=C1 BBL030041 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 BBL034646 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.1019 CC1=CC(NN)=NC2=CC=CC=C12 BBL029040 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I BBL032944 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O BBL028761 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 BBL030899 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,0,1,0,0,0|2,0,1]=4 15 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 BBL014083 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 BBL023745 [0,0,1,0,0,0|2,0,1]=4 17 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 BBL029609 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [1,0,1,0,0,0|1,0,1]=4 19 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BBL027751 [1,0,1,0,0,0|0,0,1]=3 21 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BBL027434 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [1,0,1,0,0,0|1,0,0]=3 24 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BBL011390 [2,0,0,0,0,0|1,0,0]=3 25 B11R2.20 C1=CC2=CC=NC=C2C=C1 BBL011362 [2,0,0,0,0,0|1,0,0]=3 26 B11R2.20 C1=CC=C2N=CC=NC2=C1 BBL012266 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 BBL024599 [0,1,1,0,0,0|2,0,0]=4 28 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BBL012085 [0,1,1,0,0,0|1,0,0]=3 29 B13R1.643 COC1=CC(\C=C\C(=O)O)=CC=C1 BBL019132 [0,1,1,0,0,0|1,0,0]=3 30 B13R2.32 CC1=CC=C2N=CC=CC2=C1N BBL034722 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BBL012066 [1,1,0,0,0,0|0,0,0]=2 32 B13R2.32 NC1=CC=C2N=CC=CC2=C1N BBL010741 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O BBL027354 [1,1,0,0,0,0|0,0,1]=3 34 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BBL034800 [1,1,0,0,0,0|0,0,0]=2 35 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BBL018005 [1,1,0,0,0,0|0,0,0]=2 36 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBL027620 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 BBL028293 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 BBL028488 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.162 NC1=CC=NC2=CC=C(Cl)C=C12 BBL030589 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 BBL012828 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BBL010332 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.328 CC1=NC2=CC=CC=C2C(S)=C1 BBL029187 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 BBL027616 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.328 O=C1C=C(O)N=C2C=CC=CN12 BBL028642 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 BBL025915 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BBL009921 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.3683 CC1=CC2=C(C=C1)N=C(C)C=C2 BBL034645 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 BBL012761 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BBL025841 [1,1,0,0,0,0|0,0,0]=2 50 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BBL019900 [1,1,0,0,0,0|0,0,0]=2 51 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 BBL029042 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.1 NCCC1=CNC2=C1C=CC=C2 BBL015353 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.1 NCCN1C=CC2=CC=CC=C21 BBL030026 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.1 OCCC1=CNC2=CC=CC=C12 BBL027534 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.449 CNCC1=CC=C2NC=CC2=C1 BBL031949 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 BBL101444 [0,1,0,0,1,0|0,0,2]=4 57 B15R2.627 CC(=O)C1=C(O)C2=CC=CC=C2C=C1 BBL012750 [0,2,0,0,0,0|1,0,0]=3 58 B15R2.627 O=C(O)C1=CC=C2C=CC=CC2=C1O BBL027444 [0,2,0,0,0,0|2,0,0]=4 59 B15R2.2115 COC1=C(CN)C2=CC=CC=C2C=C1 BBL029668 [0,2,0,0,0,0|0,0,0]=2 60 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 BBL034847 [0,2,0,0,0,0|0,0,0]=2 61 B15R2.1601 CNC(C)C1=CC2=CC=CC=C2C=C1 BBL022963 [0,2,0,0,0,0|1,0,0]=3 62 B15R2.1601 COC(=O)C1=NC=C2C=CC=CC2=C1 BBL037033 [0,2,0,0,0,0|1,0,0]=3 63 B15R2.1601 NC(CO)C1=CC2=CC=CC=C2C=C1 BBL021563 [0,2,0,0,0,0|1,0,0]=3 64 B15R2.1601 NNC(=O)C1=CC2=CC=CC=C2C=C1 BBL001791 [0,2,0,0,0,0|2,0,0]=4 65 B15R2.1601 O=C(CBr)C1=CC=C2C=CC=CC2=C1 BBL027448 [0,2,0,0,0,0|1,0,0]=3 66 B15R2.21336 COC1=CC2=CC(C)=C(Cl)N=C2C=C1 BBL029611 [0,2,0,0,0,0|1,0,0]=3 67 B15R2.4846 COC1=CC=C2N=CC=C(NN)C2=C1 BBL032216 [0,2,0,0,0,0|1,0,0]=3 68 B15R2.21329 COC1=CC=C2N=C(C)C=C(S)C2=C1 BBL028871 [0,2,0,0,0,0|1,0,0]=3 69 B15R2.21329 COC1=CC=C2N=C(S)C=C(C)C2=C1 BBL030195 [0,2,0,0,0,0|1,0,0]=3 70 B15R2.22397 COC1=CC=C2C(=C1)C(=O)C=CN2C BBL032871 [0,2,0,0,0,0|1,0,0]=3 71 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BBL008903 [0,2,0,0,0,0|2,0,0]=4 72 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 BBL011509 [0,2,0,0,0,0|2,0,0]=4 73 B15R2.4441 O=S(=O)(Cl)C1=CC=C2C=CC=CC2=C1 BBL027447 [0,2,0,0,0,0|1,1,0]=4 74 B15R2.4441 O=S(=O)([O-])C1=CC2=CC=CC=C2C=C1 BBL035530 [0,2,0,0,0,0|1,1,0]=4 75 B15R2.4780 COC1=CC=C2N=C(C=O)C=CC2=C1 BBL011807 [0,2,0,0,0,0|1,0,0]=3 76 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 BBL028663 [0,0,1,1,0,0|2,0,0]=4 77 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,0,1,0,1,0|2,0,0]=4 78 B11R2.36 BrC1=CC=C2C=CNC2=C1 BBL011018 [1,0,0,0,1,0|2,0,0]=4 79 B11R2.36 BrC1=CC=C2NC=CC2=C1 BBL013012 [1,0,0,0,1,0|2,0,0]=4 80 B11R2.36 CC1=CC2=C(C=C1)NC=C2 BBL011007 [1,0,0,0,1,0|1,0,0]=3 81 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 BBL037749 [1,0,0,0,1,0|2,0,0]=4 82 B11R2.36 FC1=CC=C2C=CNC2=C1 BBL011020 [1,0,0,0,1,0|2,0,0]=4 83 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BBL036782 [1,0,0,0,1,0|1,0,0]=3