0 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [1,0,0,0,0,0|2,0,1]=4 1 B12R1.3 CCNC(CC)c1ccccn1 AIFCHEM-94537413631 [0,0,1,0,0,0|3,0,0]=4 2 B12R1.3 CCNC(CC)c1ccncc1 AIFCHEM-94537423405 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.27 CC(CF)NCc1ccncc1 AIFCHEM-6106353417 [0,0,1,0,0,0|3,0,0]=4 4 B12R1.27 CC(CO)NCc1cccnn1 AIFCHEM-6411322817 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.27 CC(CO)NCc1cncnc1 AIFCHEM-6481355407 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.27 C[C@@H](CF)NCc1ccncc1 AIFCHEM-6033408698 [0,0,1,0,0,0|3,0,0]=4 7 B12R1.27 C[C@@H](CO)NCc1cccnn1 AIFCHEM-6436821149 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.27 C[C@@H](CO)NCc1cncnc1 AIFCHEM-6438178079 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.27 C[C@H](CF)NCc1ccncc1 AIFCHEM-6088513543 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.27 C[C@H](CO)NCc1cccnn1 AIFCHEM-6461011387 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.27 C[C@H](CO)NCc1cncnc1 AIFCHEM-6394973147 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,0,1,0,0,0|1,0,2]=4 13 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [0,0,1,0,0,0|3,0,0]=4 14 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [0,0,1,0,0,0|2,0,0]=3 15 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [0,0,1,0,0,0|2,0,0]=3 16 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [0,0,1,0,0,0|2,0,0]=3 17 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.91 CC(C)NCc1cccnc1 AIFCHEM-94520540451 [1,0,1,0,0,0|2,0,0]=4 22 B13R1.1 CCNC(CC)c1ccc(cc1)Br AIFCHEM-94537426868 [0,1,1,0,0,0|2,0,0]=4 23 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br AIFCHEM-94605842372 [0,1,1,0,0,0|2,0,0]=4 24 B13R1.1 CCN[C@H](CC)c1ccc(cc1)Br AIFCHEM-94537426028 [0,1,1,0,0,0|2,0,0]=4 25 B13R1.398 CCN[C@@H](COC)c1ccccc1 AIFCHEM-94537424022 [0,1,1,0,0,0|1,0,0]=3 26 B13R1.398 CCN[C@H](COC)c1ccccc1 AIFCHEM-94522829725 [0,1,1,0,0,0|1,0,0]=3 27 B13R1.11 CC(CO)NC(C)c1cccnc1 AIFCHEM-94523871213 [0,1,1,0,0,0|2,0,0]=4 28 B13R1.11 CC(CO)NC(C)c1ccncc1 AIFCHEM-5639757445 [0,1,1,0,0,0|2,0,0]=4 29 B13R1.11 CC(CO)N[C@@H](C)c1cccnc1 AIFCHEM-94593281198 [0,1,1,0,0,0|2,0,0]=4 30 B13R1.11 CC(CO)N[C@@H](C)c1ccncc1 AIFCHEM-94567316975 [0,1,1,0,0,0|2,0,0]=4 31 B13R1.11 CC(CO)N[C@H](C)c1cccnc1 AIFCHEM-94529444783 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.11 CC(CO)N[C@H](C)c1ccncc1 AIFCHEM-94598513404 [0,1,1,0,0,0|2,0,0]=4 33 B13R1.11 CC(N[C@@H](C)CO)c1cccnc1 AIFCHEM-6446510979 [0,1,1,0,0,0|2,0,0]=4 34 B13R1.11 CC(N[C@@H](C)CO)c1ccncc1 AIFCHEM-6438563531 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 AIFCHEM-6394434017 [0,1,1,0,0,0|2,0,0]=4 36 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 AIFCHEM-6394773356 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.14 CC(CF)NCc1ccc(cc1)Br AIFCHEM-6128710076 [0,1,1,0,0,0|2,0,0]=4 38 B13R1.14 CC(CF)NCc1ccc(cc1)O AIFCHEM-6135589724 [0,1,1,0,0,0|2,0,0]=4 39 B13R1.14 CC(CO)NCc1ccc(cc1)O AIFCHEM-94592109195 [0,1,1,0,0,0|1,0,0]=3 40 B13R1.14 CC(CO)NCc1ccc(cn1)Cl AIFCHEM-6058896123 [0,1,1,0,0,0|2,0,0]=4 41 B13R1.14 CC(CO)NCc1ccc(cn1)F AIFCHEM-6130029858 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.14 CC(CO)NCc1ccc(nc1)Br AIFCHEM-6463297471 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.14 C[C@@H](CF)NCc1ccc(cc1)Br AIFCHEM-6011630420 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.14 C[C@@H](CO)NCc1ccc(cc1)O AIFCHEM-6438542793 [0,1,1,0,0,0|1,0,0]=3 45 B13R1.14 C[C@@H](CO)NCc1ccc(cn1)Cl AIFCHEM-6433316388 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.14 C[C@@H](CO)NCc1ccc(cn1)F AIFCHEM-6419388425 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.14 C[C@@H](CO)NCc1ccc(nc1)Br AIFCHEM-6438589079 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.14 C[C@H](CF)NCc1ccc(cc1)O AIFCHEM-6110289191 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.14 C[C@H](CO)NCc1ccc(cc1)O AIFCHEM-6477211542 [0,1,1,0,0,0|1,0,0]=3 50 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl AIFCHEM-6395142683 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F AIFCHEM-6461245930 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Br AIFCHEM-6477253516 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.15 CC(CF)NCc1cccc(c1)O AIFCHEM-6135653591 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.15 C[C@@H](CF)NCc1cccc(c1)O AIFCHEM-6033646253 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.15 C[C@H](CF)NCc1cccc(c1)O AIFCHEM-6110073556 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.15 Cc1cc(ccn1)CNC(C)CO AIFCHEM-6389393724 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.15 Cc1cc(ccn1)CN[C@@H](C)CO AIFCHEM-6433057477 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO AIFCHEM-6477272253 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.15 Cc1ccnc(c1)CNC(C)CO AIFCHEM-94538740367 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.15 Cc1ccnc(c1)CN[C@@H](C)CO AIFCHEM-6438045047 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO AIFCHEM-6394966908 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.42 CC(CCO)NCc1ccccc1 AIFCHEM-94539149454 [0,1,1,0,0,0|1,0,0]=3 63 B13R1.42 COCC(C)NCc1ccccc1 AIFCHEM-5867416017 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.135 CC(CO)N(C)Cc1cccnc1 AIFCHEM-6466472087 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.135 C[C@@H](CO)N(C)Cc1cccnc1 AIFCHEM-94590939334 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.135 C[C@H](CO)N(C)Cc1cccnc1 AIFCHEM-6438012936 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.351 CC(O)C(C)NCc1cccnc1 AIFCHEM-94547071147 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.417 OCC(CO)NCc1cccnc1 AIFCHEM-6465418557 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.528 CC(CF)NCc1ccccc1O AIFCHEM-94532471253 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.528 CC(CO)NCc1ccccc1O AIFCHEM-94532467701 [0,1,1,0,0,0|1,0,0]=3 71 B13R1.528 CC(CO)NCc1cccnc1Br AIFCHEM-6435485163 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.528 CC(CO)NCc1ncccc1Cl AIFCHEM-6431830024 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.528 CC(CO)NCc1ncccc1O AIFCHEM-6431977252 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.528 C[C@@H](CF)NCc1ccccc1O AIFCHEM-94532465968 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.528 C[C@@H](CO)NCc1ccccc1O AIFCHEM-94532463697 [0,1,1,0,0,0|1,0,0]=3 76 B13R1.528 C[C@@H](CO)NCc1cccnc1Br AIFCHEM-6463353491 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.528 C[C@@H](CO)NCc1ncccc1Cl AIFCHEM-6418478837 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.528 C[C@@H](CO)NCc1ncccc1O AIFCHEM-6419411498 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.528 C[C@H](CF)NCc1ccccc1O AIFCHEM-94532463673 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.528 C[C@H](CO)NCc1ccccc1O AIFCHEM-94532464764 [0,1,1,0,0,0|1,0,0]=3 81 B13R1.528 C[C@H](CO)NCc1cccnc1Br AIFCHEM-6453059163 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.528 C[C@H](CO)NCc1ncccc1Cl AIFCHEM-6452677975 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.528 C[C@H](CO)NCc1ncccc1O AIFCHEM-6477275534 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.18 CCCNC(C)c1cccc(c1)Cl AIFCHEM-94569018313 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.18 CCCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94569021460 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.18 CCCN[C@@H](C)c1cccc(c1)O AIFCHEM-94569016771 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.18 CCCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94569013764 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.18 CCCN[C@H](C)c1cccc(c1)O AIFCHEM-94569023112 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.24 CCNCCC(O)c1ccccc1 AIFCHEM-94537422180 [0,1,1,0,0,0|1,0,0]=3 90 B13R1.122 CCCNC(C)(C)c1ccccc1 AIFCHEM-94569020291 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.674 CCCNC(C)c1ccccc1Br AIFCHEM-94569009466 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.674 CCCNC(C)c1ccccc1F AIFCHEM-94569022140 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.674 CCCNC(C)c1ccccc1O AIFCHEM-94569023871 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.674 CCCN[C@@H](C)c1ccccc1Br AIFCHEM-94569010019 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.674 CCCN[C@@H](C)c1ccccc1F AIFCHEM-94569011627 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.674 CCCN[C@@H](C)c1ccccc1O AIFCHEM-94543548893 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.674 CCCN[C@H](C)c1ccccc1Br AIFCHEM-94569009469 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.674 CCCN[C@H](C)c1ccccc1F AIFCHEM-94606296364 [0,1,1,0,0,0|2,0,0]=4 99 B13R1.674 CCCN[C@H](C)c1ccccc1O AIFCHEM-94569010819 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.149 CC(O)CNCc1cc(ccn1)Br AIFCHEM-6395096461 [0,1,1,0,0,0|2,0,0]=4 101 B13R1.149 CC(O)CNCc1cccc(c1)I AIFCHEM-6472397370 [0,1,1,0,0,0|1,0,0]=3 102 B13R1.149 CC(O)CNCc1ccnc(c1)Br AIFCHEM-94558280689 [0,1,1,0,0,0|2,0,0]=4 103 B13R1.149 CC(O)CNCc1cncc(c1)Br AIFCHEM-94558280554 [0,1,1,0,0,0|2,0,0]=4 104 B13R1.149 CC(O)CNCc1cncc(c1)F AIFCHEM-6436365925 [0,1,1,0,0,0|2,0,0]=4 105 B13R1.149 CC(O)CNCc1cncc(c1)O AIFCHEM-6466272331 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.149 C[C@@H](O)CNCc1cc(ccn1)Br AIFCHEM-6491024367 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I AIFCHEM-6491308892 [0,1,1,0,0,0|1,0,0]=3 108 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Br AIFCHEM-6491362141 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.149 C[C@@H](O)CNCc1cncc(c1)Br AIFCHEM-6498406247 [0,1,1,0,0,0|2,0,0]=4 110 B13R1.149 C[C@@H](O)CNCc1cncc(c1)F AIFCHEM-6509496058 [0,1,1,0,0,0|2,0,0]=4 111 B13R1.149 C[C@@H](O)CNCc1cncc(c1)O AIFCHEM-6491085156 [0,1,1,0,0,0|2,0,0]=4 112 B13R1.149 C[C@H](O)CNCc1cc(ccn1)Br AIFCHEM-6492801409 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.149 C[C@H](O)CNCc1cccc(c1)I AIFCHEM-6492983779 [0,1,1,0,0,0|1,0,0]=3 114 B13R1.149 C[C@H](O)CNCc1ccnc(c1)Br AIFCHEM-6500631482 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.149 C[C@H](O)CNCc1cncc(c1)Br AIFCHEM-6500381211 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.149 C[C@H](O)CNCc1cncc(c1)F AIFCHEM-6500579958 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.149 C[C@H](O)CNCc1cncc(c1)O AIFCHEM-6495518155 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.149 Cc1cccc(c1)CNCC(C)C AIFCHEM-94563723600 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.158 CC(C)CNCc1ccccc1Cl AIFCHEM-94555010845 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.158 CC(C)CNCc1ccccc1O AIFCHEM-94572986585 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.158 CC(O)CNCc1ccccc1Br AIFCHEM-6466407006 [0,1,1,0,0,0|1,0,0]=3 122 B13R1.158 CC(O)CNCc1ccccc1O AIFCHEM-94558286349 [0,1,1,0,0,0|1,0,0]=3 123 B13R1.158 CC(O)CNCc1cccnc1O AIFCHEM-94541107378 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.158 CC(O)CNCc1ccncc1Br AIFCHEM-94558285449 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.158 CC(O)CNCc1ccncc1F AIFCHEM-94558283877 [0,1,1,0,0,0|2,0,0]=4 126 B13R1.158 CC(O)CNCc1ncccc1Cl AIFCHEM-94558282488 [0,1,1,0,0,0|2,0,0]=4 127 B13R1.158 CC(O)CNCc1ncccc1F AIFCHEM-6395264213 [0,1,1,0,0,0|2,0,0]=4 128 B13R1.158 CC(O)CNCc1ncccc1O AIFCHEM-94558282213 [0,1,1,0,0,0|2,0,0]=4 129 B13R1.158 C[C@@H](O)CNCc1ccccc1Br AIFCHEM-6499628157 [0,1,1,0,0,0|1,0,0]=3 130 B13R1.158 C[C@@H](O)CNCc1ccccc1O AIFCHEM-94532463768 [0,1,1,0,0,0|1,0,0]=3 131 B13R1.158 C[C@@H](O)CNCc1cccnc1O AIFCHEM-6491431720 [0,1,1,0,0,0|2,0,0]=4 132 B13R1.158 C[C@@H](O)CNCc1ccncc1Br AIFCHEM-6509408295 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.158 C[C@@H](O)CNCc1ccncc1F AIFCHEM-6491122281 [0,1,1,0,0,0|2,0,0]=4 134 B13R1.158 C[C@@H](O)CNCc1ncccc1Cl AIFCHEM-6490857897 [0,1,1,0,0,0|2,0,0]=4 135 B13R1.158 C[C@@H](O)CNCc1ncccc1F AIFCHEM-6490866076 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.158 C[C@@H](O)CNCc1ncccc1O AIFCHEM-6493141058 [0,1,1,0,0,0|2,0,0]=4 137 B13R1.158 C[C@H](O)CNCc1ccccc1Br AIFCHEM-6493229318 [0,1,1,0,0,0|1,0,0]=3 138 B13R1.158 C[C@H](O)CNCc1ccccc1O AIFCHEM-94532463769 [0,1,1,0,0,0|1,0,0]=3 139 B13R1.158 C[C@H](O)CNCc1cccnc1O AIFCHEM-94541101642 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.158 C[C@H](O)CNCc1ccncc1Br AIFCHEM-6493449298 [0,1,1,0,0,0|2,0,0]=4 141 B13R1.158 C[C@H](O)CNCc1ccncc1F AIFCHEM-6493181391 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.158 C[C@H](O)CNCc1ncccc1Cl AIFCHEM-6495194095 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.158 C[C@H](O)CNCc1ncccc1F AIFCHEM-6492866123 [0,1,1,0,0,0|2,0,0]=4 144 B13R1.158 C[C@H](O)CNCc1ncccc1O AIFCHEM-6492687415 [0,1,1,0,0,0|2,0,0]=4 145 B13R1.158 Cc1cccnc1CNCC(C)O AIFCHEM-6436281521 [0,1,1,0,0,0|2,0,0]=4 146 B13R1.158 Cc1cccnc1CNC[C@@H](C)O AIFCHEM-6493883469 [0,1,1,0,0,0|2,0,0]=4 147 B13R1.158 Cc1cccnc1CNC[C@H](C)O AIFCHEM-6500544734 [0,1,1,0,0,0|2,0,0]=4 148 B13R1.158 Cc1ccncc1CNCC(C)O AIFCHEM-6395326321 [0,1,1,0,0,0|2,0,0]=4 149 B13R1.158 Cc1ccncc1CNC[C@@H](C)O AIFCHEM-6509452827 [0,1,1,0,0,0|2,0,0]=4 150 B13R1.158 Cc1ccncc1CNC[C@H](C)O AIFCHEM-6509836461 [0,1,1,0,0,0|2,0,0]=4 151 B13R1.513 CC(C)CNCc1ccc(cc1)I AIFCHEM-94572980563 [0,1,1,0,0,0|2,0,0]=4 152 B13R1.513 CC(O)CNCc1ccc(cn1)Br AIFCHEM-6466172883 [0,1,1,0,0,0|2,0,0]=4 153 B13R1.513 CC(O)CNCc1ccc(cn1)Cl AIFCHEM-6472695990 [0,1,1,0,0,0|2,0,0]=4 154 B13R1.513 CC(O)CNCc1ccc(cn1)F AIFCHEM-94558283307 [0,1,1,0,0,0|2,0,0]=4 155 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Br AIFCHEM-6509413064 [0,1,1,0,0,0|2,0,0]=4 156 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Cl AIFCHEM-6491362118 [0,1,1,0,0,0|2,0,0]=4 157 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)F AIFCHEM-6491840637 [0,1,1,0,0,0|2,0,0]=4 158 B13R1.513 C[C@H](O)CNCc1ccc(cn1)Br AIFCHEM-6509815196 [0,1,1,0,0,0|2,0,0]=4 159 B13R1.513 C[C@H](O)CNCc1ccc(cn1)Cl AIFCHEM-6493645360 [0,1,1,0,0,0|2,0,0]=4 160 B13R1.513 C[C@H](O)CNCc1ccc(cn1)F AIFCHEM-6500636166 [0,1,1,0,0,0|2,0,0]=4 161 B13R1.513 Cc1ccc(cc1)CNCC(C)C AIFCHEM-6162336895 [0,1,1,0,0,0|2,0,0]=4 162 B13R1.718 CC(CO)CNCc1ccncc1 AIFCHEM-94540296278 [0,1,1,0,0,0|2,0,0]=4 163 B13R1.718 OCC(O)CNCc1ccccc1 AIFCHEM-5834193117 [0,1,1,0,0,0|1,0,0]=3 164 B13R1.718 OC[C@@H](O)CNCc1ccccc1 AIFCHEM-94590563845 [0,1,1,0,0,0|1,0,0]=3 165 B15R2.305 Cc1ccccc1NC2CCC(C2)C AIFCHEM-94545926608 [0,1,0,0,0,1|2,0,0]=4 166 B15R2.1115 CC1CCC(C1)Nc2cccc(c2)Br AIFCHEM-94545925991 [0,1,0,0,0,1|2,0,0]=4 167 B15R2.1115 CC1CCC(C1)Nc2cccc(c2)Cl AIFCHEM-94552603242 [0,1,0,0,0,1|2,0,0]=4 168 B15R2.1115 CC1CCC(C1)Nc2cccc(c2)O AIFCHEM-94552448168 [0,1,0,0,0,1|2,0,0]=4 169 B13R2.2383 c1ccc(cc1)CNC2COC2 AIFCHEM-94539149906 [0,0,1,1,0,0|1,0,0]=3 170 B11R1.25 CC(CO)NCc1cccs1 AIFCHEM-94562635155 [0,0,1,0,1,0|2,0,0]=4 171 B11R1.25 CC(CO)NCc1ccoc1 AIFCHEM-6145837237 [0,0,1,0,1,0|2,0,0]=4 172 B11R1.25 C[C@@H](CO)NCc1cccs1 AIFCHEM-6432870219 [0,0,1,0,1,0|2,0,0]=4 173 B11R1.25 C[C@@H](CO)NCc1ccoc1 AIFCHEM-6432724326 [0,0,1,0,1,0|2,0,0]=4 174 B11R1.25 C[C@H](CO)NCc1cccs1 AIFCHEM-6395146224 [0,0,1,0,1,0|2,0,0]=4 175 B11R1.25 C[C@H](CO)NCc1ccoc1 AIFCHEM-6477229276 [0,0,1,0,1,0|2,0,0]=4 176 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,1,0,1,0|2,0,0]=4 177 B11R1.172 CC(O)CNCc1cc[nH]c1 AIFCHEM-94558285511 [0,0,1,0,1,0|2,0,0]=4 178 B11R1.172 CC(O)CNCc1ccsc1 AIFCHEM-6466172880 [0,0,1,0,1,0|2,0,0]=4 179 B11R1.172 C[C@@H](O)CNCc1ccsc1 AIFCHEM-6492925846 [0,0,1,0,1,0|2,0,0]=4 180 B11R1.172 C[C@H](O)CNCc1ccsc1 AIFCHEM-6492705573 [0,0,1,0,1,0|2,0,0]=4 181 B13R1.337 CC(C)NCCCc1ccccc1 AIFCHEM-94520536453 [0,0,1,0,0,1|2,0,0]=4 182 B15R2.31 CC1CC(CCO1)Nc2ccccc2 AIFCHEM-94577022636 [0,0,0,0,0,2|2,0,0]=4