0 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(=C1)Br TMT00014 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.9184 CC1=CC(=C2NC(=O)C(=O)C2=C1)Br OTV000673 [0,0,0,0,0,0|2,1,1]=4 2 B13R2.3028 NC1C(=O)NC2=CC=C(C=C12)F CBR02325 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [1,0,0,0,0,0|1,1,0]=3 4 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [1,0,0,0,0,0|1,1,0]=3 5 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [1,0,0,0,0,0|2,1,0]=4 7 B13R2.5397 CC1=CC2=C(NC(=S)N2)C(=C1)C L202940 [1,0,0,0,0,0|2,1,0]=4 8 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,0,1,0,0,0|2,1,0]=4 11 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,0,1,0,0,0|1,2,0]=4 12 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Br)F TMT00589 [0,0,1,0,0,0|2,1,0]=4 13 B13R1.2679 O=C(NO)NC1=CC=C(C=C1Cl)Cl S647268 [0,0,1,0,0,0|0,2,0]=3 14 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [1,0,1,0,0,0|1,1,0]=4 16 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [1,0,1,0,0,0|1,1,0]=4 18 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [1,0,1,0,0,0|1,1,0]=4 19 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [1,0,1,0,0,0|1,1,0]=4 21 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [1,0,1,0,0,0|1,1,0]=4 23 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [1,0,1,0,0,0|0,1,0]=3 24 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [1,0,1,0,0,0|0,1,0]=3 25 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [1,0,1,0,0,0|1,1,0]=4 27 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.233 FC1=CC(=C(C=C1)NC(=S)S)F S693715 [1,0,1,0,0,0|0,2,0]=4 29 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [1,0,1,0,0,0|0,2,0]=4 30 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [1,0,1,0,0,0|0,0,0]=2 31 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [1,0,1,0,0,0|1,1,0]=4 33 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|0,1,0]=3 37 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [1,0,1,0,0,0|0,2,0]=4 39 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.511 O=C(O)C1=CC(=CC(=C1F)F)F CDS002688 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [1,0,1,0,0,0|2,0,0]=4 42 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [2,0,0,0,0,0|1,0,0]=3 43 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [2,0,0,0,0,0|1,0,0]=3 47 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [2,0,0,0,0,0|0,1,0]=3 48 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [2,0,0,0,0,0|1,0,0]=3 49 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [2,0,0,0,0,0|1,1,0]=4 52 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [2,0,0,0,0,0|1,1,0]=4 53 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [2,0,0,0,0,0|1,1,0]=4 54 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [2,0,0,0,0,0|1,1,0]=4 55 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [2,0,0,0,0,0|0,1,0]=3 56 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [2,0,0,0,0,0|1,1,0]=4 59 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [2,0,0,0,0,0|1,1,0]=4 60 B14R1.6823 CCNC(=S)NC1=CC=C(C=C1F)F S690252 [0,1,1,0,0,0|1,1,0]=4 61 B14R2.645 O=C1NC2=C(C1=O)C=C(C(=C2)Cl)F PH000435 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.1060 CC1=C(NC2=CC=C(C=C12)F)C=O CDS001923 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.8716 CC1=CC=C2C(=C1)N(C(=O)N2C)C TMT00069 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,0,1,0,1,0|1,0,1]=4 65 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,0,1,0,1,0|0,2,0]=4 68 B14R2.8038 O=C1COC2=C(C=CC=C2N1O)Cl T320749 [1,0,0,0,0,1|1,1,0]=4