0 B12R2.1081 O=C1CSCC2=C1C=CC=C2 CD04109 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.1081 S=C1NCCC2=CC=CC=C12 MWP00430 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.32 CC1=COC2=CC=CC=C2C1=O BTB12529 [0,1,0,0,0,0|2,0,0]=3 3 B13R2.32 CN1N=CC2=CC=CC=C2C1=O DP00854 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.32 OC1=C(O)C2=CC=CC=C2N=N1 RF03470 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 RJC02157 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.162 CC1=CC2=C(O)N=CN=C2C=C1 RH00231 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 RJC01118 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.162 CC1=NC2=C(I)C=CC=C2C=C1 BTB12804 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.162 O=C1C=COC2=CC=C(Cl)C=C12 BTB12537 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.162 OC1=NC=NC2=CC=C(Br)C=C21 RH00197 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 JFD02612 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 BTB12654 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.328 CC1=CC(O)=NC2=C1C=CC=C2 AC12157 [0,1,0,0,0,0|1,0,0]=2 15 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 BTB01126 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 BTB05782 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 JFD03657 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 PD00036 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC13220 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.328 OC1=NC(O)=C2C=CC=CC2=N1 BTB02356 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.328 S=C1NC(=S)C2=C(C=CC=C2)N1 PD00041 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.371 BrC1=CC=C(Br)C2=CC=CC=C12 BTB10259 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 S01911 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.371 OC1=C2C=CC=CC2=C(O)N=N1 S01027 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.1613 N#CC1=NC=CC2=C1C=CC=C2 BTB09817 [0,1,0,0,0,0|1,0,1]=3 26 B13R2.4818 IC1=CC=CC2=CC=CC(I)=C12 BTB14941 [0,1,0,0,0,0|1,0,0]=2 27 B13R2.4818 NC1=NC=NC2=CC=CC(F)=C21 SEW05781 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.4818 OC1=NC=NC2=C1C(F)=CC=C2 BTB04061 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.5179 O=C1NC=NC2=CC(Cl)=CC=C12 RH01844 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.222 C\C(=N/O)C1=C(Cl)C=CC=C1 KM09168 [0,0,1,0,0,0|3,0,0]=4 31 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [0,0,0,0,1,0|3,0,0]=4 32 B11R2.1 S=C1NC=C2C=CC=CN12 BTB04390 [0,0,0,0,1,0|3,0,0]=4 33 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O EN00218 [0,1,1,0,0,0|2,0,0]=4 34 B12R1.252 CC(=O)N\N=C\C1=CC=CC=C1 BTB12720 [0,1,1,0,0,0|2,0,0]=4 35 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 AC31488 [1,1,0,0,0,0|1,0,0]=3 36 B12R2.1 NCC1=CSC2=C1C=CC=C2 CC12313 [0,1,0,0,1,0|1,0,0]=3 37 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 S11049 [0,1,0,0,1,0|2,0,0]=4 38 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,1,0,0,1,0|2,0,0]=4 39 B12R2.18 CN1C(=S)SC2=CC=CC=C21 NRB01427 [0,1,0,0,1,0|2,0,0]=4 40 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,1,0,0,1,0|1,0,0]=3 41 B12R2.2028 CN1SC(=O)C2=C1C=CC=C2 BTB03211 [0,1,0,0,1,0|2,0,0]=4 42 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 MWP00042 [0,1,0,0,1,0|2,0,0]=4 43 B12R2.246 CC1=C2N=CNC2=CC(Br)=C1 MO07408 [0,1,0,0,1,0|2,0,0]=4 44 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 RH00653 [0,2,0,0,0,0|1,0,0]=3 45 B14R2.92 N#CC1=COC2=CC=CC=C2C1=O RF01263 [0,2,0,0,0,0|2,0,0]=4 46 B14R2.203 CC[N+]1=C(C)C=CC2=CC=CC=C21 JFD03940 [0,2,0,0,0,0|1,0,0]=3 47 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O SB01122 [0,2,0,0,0,0|1,0,0]=3 48 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 BTB12329 [0,2,0,0,0,0|1,0,0]=3 49 B14R2.7724 NC1=C2N=CC=CC2=C(Cl)C=C1Cl RF03784 [0,2,0,0,0,0|2,0,0]=4 50 B14R2.8188 CC1=C(Cl)C(O)=NC2=CC=CC=C21 JM00483 [0,2,0,0,0,0|1,0,0]=3 51 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O SEW00767 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Br RJC01448 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.29369 CC1=[N+](C)C2=CC=C(F)C=C2C=C1 BTB02615 [0,2,0,0,0,0|1,0,0]=3 54 B14R2.142 COC1=CC=C2OC=CC(=O)C2=C1 JFD02610 [0,2,0,0,0,0|2,0,0]=4 55 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(O)=C1 NRB00906 [0,2,0,0,0,0|1,0,0]=3 56 B14R2.8235 CC1=CC(=O)C2=CC(Cl)=CC=C2S1 HTS01507 [0,2,0,0,0,0|2,0,0]=4 57 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 JFD00974 [0,2,0,0,0,0|1,0,0]=3 58 B14R2.8235 CC1=CC=C2N=C(C)C=C(C)C2=C1 BTB10702 [0,2,0,0,0,0|1,0,0]=3 59 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 JFD02341 [0,2,0,0,0,0|2,0,0]=4 60 B14R2.8235 CC1=NC2=C(C=C(Cl)C=C2)C(O)=C1 BTB01152 [0,2,0,0,0,0|2,0,0]=4 61 B14R2.8235 CC1=NC2=C(C=C(F)C=C2)C(O)=C1 BTB01148 [0,2,0,0,0,0|2,0,0]=4 62 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2O1 BTB14073 [0,2,0,0,0,0|2,0,0]=4 63 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 BTB14361 [0,2,0,0,0,0|2,0,0]=4 64 B14R2.28472 CC1=C(Cl)C=C2C(=O)C=COC2=C1 BTB14161 [0,2,0,0,0,0|2,0,0]=4 65 B14R2.1019 CSC1=CC(=O)C2=C(C=CC=C2)S1 RJC00282 [0,2,0,0,0,0|2,0,0]=4 66 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 S11995 [0,2,0,0,0,0|1,0,0]=3 67 B14R2.1146 CSC1=CC(C)=NC2=CC=CC=C21 BTB09602 [0,2,0,0,0,0|1,0,0]=3 68 B14R2.29365 CC1=CC(=O)C2=C(C=C(O)C=C2)O1 JFD00137 [0,2,0,0,0,0|2,0,0]=4 69 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 BTB10779 [0,2,0,0,0,0|1,0,0]=3 70 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BTB10013 [0,2,0,0,0,0|1,0,0]=3 71 B14R2.29365 CC1=CC(C)=C2C=CC(N)=NC2=N1 KM01901 [0,2,0,0,0,0|2,0,0]=4 72 B14R2.8051 CC1=CC=C(C)C2=C(O)C=CN=C12 RH01798 [0,2,0,0,0,0|1,0,0]=3 73 B14R2.11635 OCC1=CC=CC2=C1C(Br)=CC=C2 NRB00702 [0,2,0,0,0,0|0,0,0]=2 74 B14R2.11635 OCC1=CC=CC2=C1C(I)=CC=C2 NRB00699 [0,2,0,0,0,0|0,0,0]=2 75 B14R2.31359 CC(O)C1=CC=CC2=CC=CC=C21 BTB10484 [0,2,0,0,0,0|0,0,0]=2 76 B14R2.31359 O=C(O)C1=CC=NC2=C1C=CC=C2 CC04601 [0,2,0,0,0,0|1,0,1]=4 77 B14R2.31359 O=[N+]([O-])C1=CC=CC2=CN=CC=C21 BTB07826 [0,2,0,0,0,0|2,0,0]=4 78 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 SEW05612 [0,0,1,1,0,0|2,0,0]=4 79 B12R2.2 C1=CN=C(C2=CC=CS2)C=C1 SB00516 [0,0,1,1,0,0|2,0,0]=4