0 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(O)=CC2=C1 223024 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.23521 O=C(O)C1=CC2=CC(Br)=CC=C2OC1=O 012134 [0,0,0,0,0,0|2,1,0]=3 2 B15R2.984 CC(=O)C1=C(C)N=C2C=CN=CC2=C1 023692 [1,0,0,0,0,0|2,0,0]=3 3 B15R2.984 CC1=NC2=C(C=NC=C2)C=C1C(=O)O 023696 [1,0,0,0,0,0|1,0,0]=2 4 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 010658 [1,0,0,0,0,0|2,0,0]=3 5 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O 105489 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 047076 [1,0,0,0,0,0|2,0,0]=3 7 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O 358178 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)NC1=O 076089 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.1824 CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 012247 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2OC1 017265 [1,0,0,0,0,0|1,0,1]=3 11 B17R2.64948 COC1=CC2=CC(C(=O)O)=C(O)C=C2C=C1 240058 [0,1,0,0,0,0|3,0,0]=4 12 B17R2.880639 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2OC1=O 066523 [0,1,0,0,0,0|2,0,0]=3 13 B17R2.912270 O=C(O)C1=CC2=C(C=CC(Br)=C2)C(Br)=C1O 013143 [0,1,0,0,0,0|2,1,0]=4 14 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 014583 [0,0,0,0,1,0|3,0,0]=4 15 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 026193 [0,0,0,0,1,0|3,0,0]=4 16 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Br)C=C2)S1 014591 [0,0,0,0,1,0|2,1,0]=4 17 B14R1.1865 COC1=CC=C(Br)C=C1\C=C\C(=O)O 011098 [1,0,1,0,0,0|1,1,0]=4 18 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 432360 [2,0,0,0,0,0|2,0,0]=4 19 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 321834 [2,0,0,0,0,0|2,0,0]=4 20 B14R2.781 O=C(Cl)C1=CC=C2C=CC=CC2=C1 386708 [2,0,0,0,0,0|2,0,0]=4 21 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 223438 [2,0,0,0,0,0|2,0,0]=4 22 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 066331 [2,0,0,0,0,0|2,0,0]=4 23 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 066337 [2,0,0,0,0,0|2,0,0]=4 24 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 036134 [2,0,0,0,0,0|0,0,0]=2 25 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 057738 [2,0,0,0,0,0|2,0,0]=4 26 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 092221 [2,0,0,0,0,0|1,0,0]=3 27 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 036133 [2,0,0,0,0,0|2,0,0]=4 28 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 064456 [2,0,0,0,0,0|1,0,0]=3 29 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)N=C1 011058 [2,0,0,0,0,0|1,0,1]=4 30 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 219866 [2,0,0,0,0,0|1,0,1]=4 31 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl 012246 [2,0,0,0,0,0|1,0,0]=3 32 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O 374715 [1,1,0,0,0,0|1,0,0]=3 33 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2C=C1O 373507 [1,1,0,0,0,0|2,0,0]=4 34 B16R2.126889 O=C(O)C1=CC2=CC=CC(O)=C2C=C1O 103054 [1,1,0,0,0,0|2,0,0]=4 35 B16R2.12044 CC1=CC=C2OC=C(C(=O)O)C(=O)C2=C1 012042 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.450 CC1=C(C(=O)Cl)OC2=CC=CC=C21 013630 [1,0,0,0,1,0|2,0,0]=4 37 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 018818 [1,0,0,0,1,0|1,0,0]=3 38 B14R2.450 CC1=C(C(=O)[O-])OC2=CC=CC=C21 022117 [1,0,0,0,1,0|1,0,1]=4 39 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 077339 [1,0,0,0,1,0|1,0,0]=3 40 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 023842 [1,0,0,0,1,0|2,0,0]=4 41 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 014581 [1,0,0,0,1,0|2,0,0]=4 42 B14R2.642 CC1=C(C(=O)O)N2C=CC=CC2=N1 060796 [1,0,0,0,1,0|1,0,0]=3 43 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)O 224246 [1,0,0,0,1,0|1,0,0]=3 44 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 058558 [1,0,0,0,1,0|2,0,0]=4 45 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 047899 [1,0,0,0,1,0|0,1,1]=4 46 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 077200 [1,0,0,0,1,0|0,0,1]=3 47 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 010193 [1,0,0,0,1,0|0,1,1]=4 48 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 321377 [1,0,0,0,1,0|1,0,1]=4 49 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 066298 [1,0,0,0,1,0|1,1,0]=4 50 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 066291 [1,0,0,0,1,0|1,1,0]=4 51 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 018361 [1,0,0,0,1,0|1,0,0]=3 52 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 042985 [1,0,0,0,1,0|1,0,1]=4 53 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 050233 [1,0,0,0,1,0|1,0,0]=3 54 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 020218 [1,0,0,0,1,0|1,1,0]=4 55 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 034061 [1,0,0,0,1,0|2,0,0]=4 56 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Br)C=C2 037073 [1,0,0,0,1,0|0,1,1]=4 57 B14R2.5816 O=C(O)C1=CNC2=CC=C(Cl)C=C21 040487 [1,0,0,0,1,0|0,0,1]=3 58 B16R2.23502 CC1=NC2=C(C=C(Br)C=C2)C(C(=O)O)=C1 020337 [0,0,0,0,1,1|0,1,0]=3