0 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.149 O=C(O)CNCc1cccc(c1)Cl AIFCHEM-94542885656 [0,1,0,0,0,0|3,0,0]=4 3 B13R1.158 NC(=O)CNCc1ccccc1F AIFCHEM-94550118098 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.158 NC(=O)CNCc1ccccc1O AIFCHEM-94550120374 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.158 O=C(O)CNCc1ccccc1O AIFCHEM-94532467001 [0,1,0,0,0,0|3,0,0]=4 6 B13R1.513 Cc1ccc(cc1)CCNC(C)C AIFCHEM-94520536451 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl AIFCHEM-94542881087 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.718 CNC(=O)CNCc1ccncc1 AIFCHEM-94562545745 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.718 COC(=O)CNCc1ccncc1 AIFCHEM-6212392937 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.72 CC(=O)N1CCc2c1cncc2 AIFCHEM-5724062776 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.72 CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,0,0,1,0|2,0,0]=3 13 B11R1.91 CC(=O)NCc1ccncn1 AIFCHEM-94605339593 [0,0,0,0,1,0|3,0,0]=4 14 B11R1.91 CC(=O)NCc1cnccn1 AIFCHEM-94535589218 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.172 CC(=O)NCCc1cc[nH]n1 AIFCHEM-94535591087 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.172 CC(=O)NCCn1cccc1 AIFCHEM-94535595097 [0,0,0,0,1,0|2,0,0]=3 17 B13R1.337 CC(C)NCCCc1ccccc1 AIFCHEM-94520536453 [0,0,0,0,0,1|2,0,1]=4 18 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.8 O=COCNCc1cccnc1 AIFCHEM-94595107182 [1,1,0,0,0,0|1,0,0]=3 20 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,1,0,0,1,0|2,0,0]=4 21 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,1,0,0,1,0|2,0,0]=4 22 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,1,0,0,1,0|2,0,0]=4 23 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,1,0,0,1,0|2,0,0]=4 24 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,1,0,0,1,0|1,0,0]=3 26 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.148 CC(=O)NCCOc1cccc(c1)F AIFCHEM-5758332163 [0,1,0,0,0,1|1,0,0]=3 29 B14R1.148 NC(=O)CCNCc1cccc(c1)O AIFCHEM-5952888638 [0,1,0,0,0,1|2,0,0]=4 30 B14R1.148 O=C(O)CCNCc1cccc(c1)Br AIFCHEM-5831661558 [0,1,0,0,0,1|2,0,0]=4 31 B14R1.148 O=C(O)CCNCc1cccc(c1)Cl AIFCHEM-5845820754 [0,1,0,0,0,1|2,0,0]=4 32 B14R1.148 O=C(O)CCNCc1cccc(c1)I AIFCHEM-5845767537 [0,1,0,0,0,1|2,0,0]=4 33 B14R1.159 CC(=O)NCCOc1ccccc1Cl AIFCHEM-6256903415 [0,1,0,0,0,1|1,0,0]=3 34 B14R1.159 NC(=O)CCNCc1ccccc1O AIFCHEM-94532468064 [0,1,0,0,0,1|2,0,0]=4 35 B14R1.159 O=C(O)CCNCc1ccccc1Br AIFCHEM-5846395697 [0,1,0,0,0,1|2,0,0]=4 36 B14R1.159 O=C(O)CCNCc1ccccc1F AIFCHEM-5845962695 [0,1,0,0,0,1|2,0,0]=4 37 B14R1.159 O=C(O)CCNCc1ccccc1I AIFCHEM-5823414811 [0,1,0,0,0,1|2,0,0]=4 38 B14R1.159 O=C(O)CCNCc1ccccc1O AIFCHEM-94532456069 [0,1,0,0,0,1|2,0,0]=4 39 B14R1.159 O=C(O)CNCCc1ccccc1Cl AIFCHEM-94542884832 [0,1,0,0,0,1|2,0,0]=4 40 B14R1.423 CC(=O)OCC(C)Nc1ccccc1 AIFCHEM-94552036509 [0,1,0,0,0,1|0,0,0]=2 41 B14R1.423 CC(=O)OCC(C)Nc1cccnc1 AIFCHEM-94599181163 [0,1,0,0,0,1|1,0,0]=3 42 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl AIFCHEM-94579111371 [0,1,0,0,0,1|1,0,0]=3 43 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl AIFCHEM-94535594996 [0,1,0,0,0,1|1,0,0]=3 44 B14R1.677 CC(=O)NCCOc1ccc(cc1)F AIFCHEM-94605354701 [0,1,0,0,0,1|1,0,0]=3 45 B14R1.677 CC(=O)NCCOc1ccc(cn1)Cl AIFCHEM-94605344600 [0,1,0,0,0,1|2,0,0]=4 46 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N AIFCHEM-5952639267 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.677 NC(=O)CCNCc1ccc(cc1)I AIFCHEM-5978169360 [0,1,0,0,0,1|2,0,0]=4 48 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br AIFCHEM-94550117090 [0,1,0,0,0,1|2,0,0]=4 49 B14R1.716 CCC(=O)NCCCc1ccncc1 AIFCHEM-94526506117 [0,1,0,0,0,1|2,0,0]=4 50 B14R1.716 COC(=O)CCCNc1ccccc1 AIFCHEM-94552033058 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.716 COC(=O)CCCNc1ccncc1 AIFCHEM-94592442665 [0,1,0,0,0,1|2,0,0]=4 52 B14R1.716 COC(=O)CCNCc1ccccn1 AIFCHEM-6173863971 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.716 O=C(CO)NCC#Cc1ccccc1 AIFCHEM-5951408042 [0,1,0,0,0,1|1,0,1]=4 54 B14R1.6449 CC(=O)N(C)C/C=C/c1ccccc1 AIFCHEM-94535599825 [0,1,0,0,0,1|1,0,1]=4 55 B14R1.6449 CC(=O)N(C)CC=Cc1ccccc1 AIFCHEM-5879793677 [0,1,0,0,0,1|1,0,1]=4 56 B14R1.1025 COC(=O)CNCc1cccc(c1)Br AIFCHEM-6233615057 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.1025 COC(=O)CNCc1cccc(c1)F AIFCHEM-6215910319 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.837 CNC(=O)CNCc1ccccc1O AIFCHEM-94562545975 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.837 COC(=O)CNCc1ccccc1F AIFCHEM-6215795271 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.837 COC(=O)CNCc1ccccc1O AIFCHEM-94532467104 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.13 CNC(=O)CNCc1ccc(cc1)I AIFCHEM-94562541319 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.13 CNC(=O)CNCc1ccc(cc1)O AIFCHEM-94562540535 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.13 COC(=O)CNCc1ccc(cc1)Br AIFCHEM-6212458962 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.13 COC(=O)CNCc1ccc(cc1)C AIFCHEM-6234483971 [0,2,0,0,0,0|2,0,0]=4 65 B14R2.19 O=C1CC(CN1)Nc2ccccc2 AIFCHEM-94552035366 [0,0,0,1,0,1|1,0,0]=3 66 B14R2.21 O=C1C=C(CCC1)c2ccccc2 AIFCHEM-94590915155 [0,0,0,1,0,1|1,0,1]=4 67 B14R2.25733 CC(=O)N1CC(c2c1cccc2)C AIFCHEM-94519231567 [0,1,0,1,0,0|1,0,0]=3 68 B14R2.300 CC(=O)N1CCc2c1ccc(c2)C AIFCHEM-6156748225 [0,1,0,1,0,0|1,0,0]=3 69 B14R2.300 CC(=O)N1CCc2c1ccc(c2)F AIFCHEM-94535594315 [0,1,0,1,0,0|1,0,0]=3 70 B14R2.300 CC(=O)N1CCc2c1ccc(n2)Br AIFCHEM-94535590322 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.781 CC(=O)N1CCc2cnccc2C1 AIFCHEM-94605353307 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.5816 CC(=O)N1CCc2c1cc(cc2)Br AIFCHEM-5722837741 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.5816 CC(=O)N1CCc2c1cc(cc2)C AIFCHEM-6166264380 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [0,0,0,0,2,0|1,0,1]=4 75 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [0,0,0,0,2,0|2,0,0]=4 76 B10R1.66 CC(=O)NCc1ccc[nH]1 AIFCHEM-94605343937 [0,0,0,0,2,0|2,0,0]=4 77 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [0,0,0,0,2,0|2,0,0]=4 78 B14R1.422 CC(=O)NCCSCc1ccccn1 AIFCHEM-94596857342 [0,0,0,0,0,2|2,0,0]=4 79 B14R1.422 CC(=O)NCCSSc1ccccn1 AIFCHEM-5617032957 [0,0,0,0,0,2|2,0,0]=4 80 B14R1.422 CC(=O)OCCNCc1cncnc1 AIFCHEM-5598072721 [0,0,0,0,0,2|2,0,0]=4 81 B14R1.422 CC(=O)OCCNCc1ncccn1 AIFCHEM-5640527253 [0,0,0,0,0,2|2,0,0]=4