0 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 S11049 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.18 CN1C(=S)SC2=CC=CC=C21 NRB01427 [0,0,0,0,0,0|2,1,0]=3 3 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AC40197 [1,0,0,0,0,0|2,1,0]=4 5 B11R2.10 SC1=NC2=C(C=CC=C2)N1 S00965 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.10 SC1=NC2=CC=CC=C2S1 S08979 [1,0,0,0,0,0|2,1,0]=4 7 B13R2.45 CC1=C(C#N)SC2=C1C=CC=C2 MWP00784 [0,1,0,0,0,0|0,1,1]=3 8 B13R2.45 CN1C2=CC=CC=C2S\C1=N/N JFD02742 [0,1,0,0,0,0|2,1,0]=4 9 B13R2.45 CSC1=NC2=CC=CC=C2N1C BTB14440 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.45 O=C1C2=CC=CC=C2C\C1=C/O FM00016 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.135 CC[N+]1=C(C)SC2=CC=CC=C21 RJC03274 [0,1,0,0,0,0|1,1,0]=3 12 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 RH00963 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.135 O=C1NC2=CC=CC=C2\C1=N\O BTB09934 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.359 CC1(C)C(=S)NC2=C1C=CC=C2 RJC02408 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.3028 CC1=C(Br)SC2=CC=C(Cl)C=C21 KM08172 [0,1,0,0,0,0|1,1,0]=3 16 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O JA00002 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.3028 CC1=CC2=C(C=C1)SC(=O)C2=O KM09178 [0,1,0,0,0,0|2,1,0]=4 18 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O RH00683 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O BTB01627 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 RH01105 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 TL00838 [0,0,1,0,0,0|2,1,0]=4 22 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CD03238 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [0,0,1,0,0,0|3,0,0]=4 28 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,0,1,0,0,0|3,0,0]=4 29 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 NRB00705 [0,0,1,0,0,0|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 B11R1.222 NNC(=O)C1=CC=CC=C1O SEW04563 [0,0,1,0,0,0|3,0,0]=4 32 B13R2.32 CC1=COC2=CC=CC=C2C1=O BTB12529 [0,0,0,0,0,1|1,0,0]=2 33 B13R2.32 CN1N=CC2=CC=CC=C2C1=O DP00854 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.32 OC1=C(O)C2=CC=CC=C2N=N1 RF03470 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 JFD02612 [0,0,0,0,0,1|1,0,0]=2 37 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 BTB12654 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.328 CC1=CC(O)=NC2=C1C=CC=C2 AC12157 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 BTB01126 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 BTB05782 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 JFD03657 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 PD00036 [0,0,0,0,0,1|3,0,0]=4 43 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC13220 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.328 OC1=NC(O)=C2C=CC=CC2=N1 BTB02356 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.328 S=C1NC(=S)C2=C(C=CC=C2)N1 PD00041 [0,0,0,0,0,1|3,0,0]=4 46 B13R2.369 CC1=NC2=C(C=CC=C2)NC1=O XBX00029 [0,0,0,0,0,1|2,0,0]=3 47 B13R2.369 CC1=NC2=CC=CC=C2N=C1C XBX00028 [0,0,0,0,0,1|1,0,0]=2 48 B13R2.369 CC1=NC2=CC=CC=C2N=C1O RF02078 [0,0,0,0,0,1|2,0,0]=3 49 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 MGH00027 [0,0,0,0,0,1|3,0,0]=4 50 B13R2.369 SC1=NC2=CC=CC=C2N=C1S JFD01548 [0,0,0,0,0,1|3,0,0]=4 51 B12R1.34 C=C(C1=CC=CC=C1)\C(C)=N\O BTBG00181 [0,1,1,0,0,0|0,0,1]=3 52 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 GK02977 [0,1,1,0,0,0|1,0,0]=3 53 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 JFD02109 [0,1,1,0,0,0|1,0,1]=4 54 B12R1.478 CC(=O)\C(=N/O)C1=CC=CC=C1 CD01161 [0,1,1,0,0,0|1,0,1]=4 55 B12R1.478 C\C=C(/C(=O)O)C1=CC=CC=C1 BTBG00057 [0,1,1,0,0,0|1,0,0]=3 56 B12R1.478 C\C=C(\C(=O)O)C1=CC=CC=C1 NRB02306 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.32 CCNC(=O)OC1=CC=CC=C1 BTB13270 [0,1,1,0,0,0|1,0,1]=4 58 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.75 CCC1=CC=CC=C1NC(C)=O TL00639 [0,1,1,0,0,0|1,0,1]=4 60 B12R2.1 NCC1=CSC2=C1C=CC=C2 CC12313 [1,1,0,0,0,0|0,1,0]=3 61 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [1,1,0,0,0,0|0,1,0]=3 62 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 RF01288 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.32 CSC1=NC2=CC=CC=C2N1 DP01217 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.32 CSC1=NC2=CC=CC=C2N1 RH00984 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.32 CSC1=NC2=CC=CC=C2S1 KM06784 [1,1,0,0,0,0|1,1,0]=4 66 B12R2.32 NCC1=NC2=CC=CC=C2S1 CC06013 [1,1,0,0,0,0|1,1,0]=4 67 B12R2.32 OCC1=NC2=CC=CC=C2S1 CC06009 [1,1,0,0,0,0|1,1,0]=4 68 B12R2.606 CC1=CC2=C(C=C1)NC(=S)O2 S06035 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)S1 XBX00175 [1,1,0,0,0,0|0,1,0]=3 70 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 S10307 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.606 OC1=NC2=C(C=C(Cl)C=C2)O1 AC29726 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 S04169 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 RH00653 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.92 N#CC1=COC2=CC=CC=C2C1=O RF01263 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.203 CC[N+]1=C(C)C=CC2=CC=CC=C21 JFD03940 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O SB01122 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.8188 CC1=C(Cl)C(O)=NC2=CC=CC=C21 JM00483 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.29369 CC1=[N+](C)C2=CC=C(F)C=C2C=C1 BTB02615 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.1019 CSC1=CC(=O)C2=C(C=CC=C2)S1 RJC00282 [0,1,0,0,0,1|1,1,0]=4 80 B14R2.1019 CSC1=NC2=C(C=CC=C2)C(N)=N1 AC29790 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 S11995 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.1146 CSC1=CC(C)=NC2=CC=CC=C21 BTB09602 [0,1,0,0,0,1|1,0,0]=3 83 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(O)=C1 NRB00906 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.8235 CC1=CC(=O)C2=CC(Cl)=CC=C2S1 HTS01507 [0,1,0,0,0,1|1,1,0]=4 85 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 JFD00974 [0,1,0,0,0,1|1,0,0]=3 86 B14R2.8235 CC1=CC=C2N=C(C)C=C(C)C2=C1 BTB10702 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 JFD02341 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.8235 CC1=NC2=C(C=C(Cl)C=C2)C(O)=C1 BTB01152 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.8235 CC1=NC2=C(C=C(F)C=C2)C(O)=C1 BTB01148 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)O1 BTB02093 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2O1 BTB14073 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 BTB14361 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.29365 CC1=CC(=O)C2=C(C=C(O)C=C2)O1 JFD00137 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 BTB10779 [0,1,0,0,0,1|1,0,0]=3 95 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BTB10013 [0,1,0,0,0,1|1,0,0]=3 96 B14R2.29365 CC1=CC(C)=C2C=CC(N)=NC2=N1 KM01901 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O BTB01247 [0,1,0,0,0,1|1,0,1]=4 98 B14R2.8239 CC1=CC=C2C=C(C)C(C)=CC2=C1 JFD03643 [0,1,0,0,0,1|1,0,0]=3 99 B14R2.8239 CC1=NC2=CC=C(Cl)C=C2N=C1C RDP00197 [0,1,0,0,0,1|1,0,0]=3 100 B14R2.44 CC1=C(\C=N\O)SC2=CC=CC=C21 MWP00783 [0,2,0,0,0,0|0,1,1]=4 101 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 MWP00008 [0,2,0,0,0,0|0,1,0]=3 102 B14R2.517 CC1=C(CC#N)C2=CC=CC=C2N1 BTB13427 [0,2,0,0,0,0|1,0,0]=3 103 B14R2.4507 CC1=CC=C2N=C(C)C(C)(C)C2=C1 RJC04033 [0,2,0,0,0,0|1,0,1]=4 104 B14R3.49 C1=CC=C2C(=C1)NC3=C2CCC3 RH00738 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [0,0,1,0,0,1|0,0,2]=4 106 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [0,0,1,0,0,1|0,0,2]=4 107 B14R2.52 O=C1COC2=CC=CC=C2C(=O)N1 BTB12993 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.738 CC1CC(=O)NC2=CC=CC=C2O1 JFD00283 [0,0,0,0,0,2|1,0,1]=4