0 B13R1.348 CC(C)CC(=O)Nc1ccccn1 AIFCHEM-5962320555 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.348 CC(C)CC(=O)Nc1ccnnc1 AIFCHEM-5599030483 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.348 CC(C)CN(C)Cc1cccnc1 AIFCHEM-5722438368 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.348 CC(C)CN(C)Cc1cnccn1 AIFCHEM-5782327662 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.348 CC(C)CN(C)Cc1cncnc1 AIFCHEM-5736289770 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.348 CC(C)NC(=O)Cc1ccncn1 AIFCHEM-94520548109 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.348 CC(C)NC(=O)Cc1cnccn1 AIFCHEM-94520544962 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.348 CC(C)NC(=O)Cc1ncccn1 AIFCHEM-94520550543 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.32 CCCN(C)Cc1ccccn1 AIFCHEM-5860218756 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.32 COCC(=O)Nc1ccncc1 AIFCHEM-94533902369 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.252 CC(C)CNCc1ccncn1 AIFCHEM-6162129461 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.337 CC(C)CC(=O)Nc1ccc[nH]c1=O AIFCHEM-94549277101 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.337 CC(C)CC(=O)Nc1ccncc1Br AIFCHEM-5789873726 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.337 CC(C)CN(C)Cc1ccccc1O AIFCHEM-94534575895 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.337 CC(C)CN(C)Cc1cccnc1F AIFCHEM-5722410822 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.337 CC(C)CN(C)Cc1cccnc1O AIFCHEM-94541105690 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.337 CC(C)NC(=O)Cc1cccnc1Cl AIFCHEM-94520550204 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.337 CC(C)NC(=O)Cc1ncccc1Br AIFCHEM-94520550716 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.337 CC(C)NC(=O)Cc1ncccc1Cl AIFCHEM-94520551768 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.337 CC(O)CN(C)Cc1ccccc1O AIFCHEM-94532460671 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.337 Cc1ccccc1CC(=O)NC(C)C AIFCHEM-94520550415 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.337 Cc1ccccc1NC(=O)CC(C)C AIFCHEM-5892461333 [0,1,0,0,0,0|1,0,0]=2 29 B14R1.337 Cc1cccnc1NC(=O)CC(C)C AIFCHEM-6049868327 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.337 O=C(CC(F)F)Nc1ccccc1Br AIFCHEM-94569942976 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.337 O=C(CC(F)F)Nc1ccccc1F AIFCHEM-6046994688 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.417 CC(C)CC(=O)N(C)c1ccncc1 AIFCHEM-5829787156 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.417 CC(C)CN(C)C(C)c1ccccn1 AIFCHEM-94572971744 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.417 CN(C(=O)CC(F)F)c1ccccc1 AIFCHEM-94545184373 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.425 CC(C)C(C)C(=O)Nc1cccnc1 AIFCHEM-94531010027 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.425 CC(C)C(O)C(=O)Nc1ccccn1 AIFCHEM-94586368599 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.425 CC(C)C(O)C(=O)Nc1ccncc1 AIFCHEM-94533900851 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.425 CC(C)N(C)C(=O)Cc1ccncc1 AIFCHEM-94547946722 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.425 CC(C)N(C)C(=O)Cc1ccncn1 AIFCHEM-94547947058 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.425 CC(C)N(C)C(=O)Cc1cncnc1 AIFCHEM-94547948492 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.425 CC(C)[C@@H](O)C(=O)Nc1ccccn1 AIFCHEM-94586365745 [0,1,0,0,0,0|2,0,0]=3 42 B14R1.425 CC(C)[C@@H](O)C(=O)Nc1ccncc1 AIFCHEM-94533897997 [0,1,0,0,0,0|2,0,0]=3 43 B14R1.425 CC(C)[C@H](O)C(=O)Nc1ccccn1 AIFCHEM-94586365744 [0,1,0,0,0,0|2,0,0]=3 44 B14R1.425 CC(C)[C@H](O)C(=O)Nc1ccncc1 AIFCHEM-94533897996 [0,1,0,0,0,0|2,0,0]=3 45 B14R1.425 CC(O)C(C)N(C)Cc1ccccc1 AIFCHEM-94547061828 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.433 CC(C)(Br)CC(=O)Nc1cccnn1 AIFCHEM-94607816776 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.433 CC(C)(C)CC(=O)Nc1cncnc1 AIFCHEM-6125557426 [0,1,0,0,0,0|3,0,0]=4 48 B14R1.433 CC(C)(Cl)CC(=O)Nc1ccccc1 AIFCHEM-94604515586 [0,1,0,0,0,0|1,0,0]=2 49 B14R1.433 CC(C)(Cl)CC(=O)Nc1cccnn1 AIFCHEM-94604524763 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.433 CC(C)(Cl)CC(=O)Nc1ccncc1 AIFCHEM-94533902245 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.433 CC(C)(O)CC(=O)Nc1ccncc1 AIFCHEM-94533902368 [0,1,0,0,0,0|2,0,0]=3 52 B14R1.433 CC(CC(C)(C)C)Nc1ccccc1 AIFCHEM-94552036495 [0,1,0,0,0,0|2,0,1]=4 53 B14R1.433 CN(Cc1cccnc1)CC(C)(C)C AIFCHEM-6248376900 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.549 CCN(Cc1ccccc1)CC(C)O AIFCHEM-94537419522 [0,1,0,0,0,0|3,0,0]=4 55 B14R1.549 CCN(Cc1ccccn1)CC(C)C AIFCHEM-94572981665 [0,1,0,0,0,0|3,0,0]=4 56 B14R1.698 CC(C)CC(=O)Nc1ccc(cn1)Br AIFCHEM-5726684306 [0,1,0,0,0,0|2,0,0]=3 57 B14R1.698 CC(C)CN(C)Cc1ccc(cc1)Br AIFCHEM-5736479595 [0,1,0,0,0,0|2,0,0]=3 58 B14R1.698 CC(C)CN(C)Cc1ccc(cc1)Cl AIFCHEM-94572983444 [0,1,0,0,0,0|2,0,0]=3 59 B14R1.698 CC(C)CN(C)Cc1ccc(cc1)O AIFCHEM-94572984781 [0,1,0,0,0,0|2,0,0]=3 60 B14R1.698 CC(C)CN(C)Cc1ccc(nc1)Cl AIFCHEM-94572972551 [0,1,0,0,0,0|3,0,0]=4 61 B14R1.698 CC(C)NC(=O)Cc1ccc(cc1)F AIFCHEM-94520548779 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.698 CC(C)NC(=O)Cc1ccc(cc1)O AIFCHEM-94520545439 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.698 CC(C)NC(=O)Cc1ccc(cn1)Cl AIFCHEM-94520542951 [0,1,0,0,0,0|2,0,0]=3 64 B14R1.698 CC(C)NC(=O)Cn1ccc(=O)cc1 AIFCHEM-94520549058 [0,1,0,0,0,0|2,0,0]=3 65 B14R1.698 Cc1ccc(cc1)CC(=O)NC(C)C AIFCHEM-94520550257 [0,1,0,0,0,0|1,0,0]=2 66 B14R1.698 Cc1cnc(cn1)NC(=O)CC(C)C AIFCHEM-6077748984 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.743 C#CC(C)NC(=O)Cc1ccncc1 AIFCHEM-5770178074 [0,1,0,0,0,0|2,0,1]=4 68 B14R1.743 C#C[C@H](C)NC(=O)Cc1ccncc1 AIFCHEM-94603101427 [0,1,0,0,0,0|2,0,1]=4 69 B14R1.743 CC(CF)NC(=O)Cc1cccnc1 AIFCHEM-6129471111 [0,1,0,0,0,0|2,0,0]=3 70 B14R1.743 CCC(C)CN(C)Cc1ccccn1 AIFCHEM-6094618365 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.743 CCC(C)CN(C)Cc1cccnc1 AIFCHEM-5735452166 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.743 C[C@@H](CF)NC(=O)Cc1cccnc1 AIFCHEM-94529325677 [0,1,0,0,0,0|2,0,0]=3 73 B14R1.743 C[C@H](CF)NC(=O)Cc1cccnc1 AIFCHEM-6111679756 [0,1,0,0,0,0|2,0,0]=3 74 B14R1.5978 CC(C)CC(=O)Nc1cccc(c1)O AIFCHEM-94542290054 [0,1,0,0,0,0|1,0,0]=2 75 B14R1.5978 CC(C)CC(=O)Nc1cccc(n1)O AIFCHEM-94555800439 [0,1,0,0,0,0|2,0,0]=3 76 B14R1.5978 CC(C)CN(C)Cc1cccc(c1)O AIFCHEM-94572973057 [0,1,0,0,0,0|2,0,0]=3 77 B14R1.5978 CC(C)CN(C)Cc1cccc(n1)Cl AIFCHEM-5722326921 [0,1,0,0,0,0|3,0,0]=4 78 B14R1.5978 CC(C)NC(=O)Cc1cccc(c1)Br AIFCHEM-94520546241 [0,1,0,0,0,0|1,0,0]=2 79 B14R1.5978 CC(C)NC(=O)Cc1ccnc(c1)Cl AIFCHEM-94520551855 [0,1,0,0,0,0|2,0,0]=3 80 B14R1.5978 CC(O)CC(=O)Nc1cc(ccn1)O AIFCHEM-94535016002 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.5978 CC(O)CC(=O)Nc1cccc(c1)F AIFCHEM-94579360197 [0,1,0,0,0,0|2,0,0]=3 82 B14R1.5978 CC(O)CC(=O)Nc1ccnc(c1)O AIFCHEM-94552270662 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.5978 C[C@@H](O)CC(=O)Nc1cc(ccn1)O AIFCHEM-94535018364 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.5978 C[C@@H](O)CC(=O)Nc1cccc(c1)F AIFCHEM-94579362559 [0,1,0,0,0,0|2,0,0]=3 85 B14R1.5978 C[C@@H](O)CC(=O)Nc1ccnc(c1)O AIFCHEM-94552273024 [0,1,0,0,0,0|3,0,0]=4 86 B14R1.5978 C[C@H](O)CC(=O)Nc1cc(ccn1)O AIFCHEM-94535018303 [0,1,0,0,0,0|3,0,0]=4 87 B14R1.5978 C[C@H](O)CC(=O)Nc1cccc(c1)F AIFCHEM-94579362498 [0,1,0,0,0,0|2,0,0]=3 88 B14R1.5978 C[C@H](O)CC(=O)Nc1ccnc(c1)O AIFCHEM-94552272963 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.5978 Cc1cccc(c1)CN(C)CC(C)O AIFCHEM-6437047301 [0,1,0,0,0,0|3,0,0]=4 90 B14R1.5978 Cc1cccc(c1)NC(=O)CC(C)O AIFCHEM-94565754498 [0,1,0,0,0,0|2,0,0]=3 91 B14R1.5978 Cc1cccc(c1)NC(=O)C[C@@H](C)O AIFCHEM-94565756860 [0,1,0,0,0,0|2,0,0]=3 92 B14R1.5978 Cc1cccc(c1)NC(=O)C[C@H](C)O AIFCHEM-94565756799 [0,1,0,0,0,0|2,0,0]=3 93 B14R1.5978 O=C(CC(F)F)Nc1cccc(c1)F AIFCHEM-94579357708 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.19 CC1CCN(C1)Cc2ccncc2 AIFCHEM-5636915916 [0,0,0,1,0,0|3,0,0]=4 95 B14R2.19 C[C@@H]1CCN(C1)Cc2ccncc2 AIFCHEM-5819338429 [0,0,0,1,0,0|3,0,0]=4 96 B14R2.19 C[C@H]1CCN(C1)Cc2ccncc2 AIFCHEM-5609082581 [0,0,0,1,0,0|3,0,0]=4 97 B14R2.343 CC1CC1C(=O)Nc2ccccc2 AIFCHEM-94577033582 [0,0,0,1,0,0|1,0,0]=2 98 B14R2.343 CC1CC1C(=O)Nc2ccnnc2 AIFCHEM-5665816694 [0,0,0,1,0,0|3,0,0]=4 99 B14R2.343 C[C@@H]1C[C@H]1C(=O)Nc2ccccc2 AIFCHEM-94552045696 [0,0,0,1,0,0|1,0,0]=2 100 B14R2.343 C[C@@H]1C[C@H]1C(=O)Nc2ccnnc2 AIFCHEM-5648160664 [0,0,0,1,0,0|3,0,0]=4 101 B14R2.343 C[C@H]1C[C@@H]1C(=O)Nc2ccccc2 AIFCHEM-94577030883 [0,0,0,1,0,0|1,0,0]=2 102 B14R2.343 C[C@H]1C[C@@H]1C(=O)Nc2ccnnc2 AIFCHEM-5621326867 [0,0,0,1,0,0|3,0,0]=4 103 B14R2.343 O=C(Nc1ccncc1)C2CC2F AIFCHEM-94533897553 [0,0,0,1,0,0|3,0,0]=4 104 B14R2.343 O=C(Nc1ccncc1)[C@@H]2C[C@@H]2F AIFCHEM-94533895397 [0,0,0,1,0,0|3,0,0]=4 105 B14R2.343 O=C(Nc1ccncc1)[C@@H]2C[C@H]2F AIFCHEM-94593651059 [0,0,0,1,0,0|3,0,0]=4 106 B14R2.343 O=C(Nc1ccncc1)[C@H]2C[C@@H]2F AIFCHEM-6172560361 [0,0,0,1,0,0|3,0,0]=4 107 B14R2.343 O=C(Nc1ccncc1)[C@H]2C[C@H]2F AIFCHEM-6157784099 [0,0,0,1,0,0|3,0,0]=4 108 B12R1.43 CC(C)C(=O)Nc1ccncc1 AIFCHEM-94545049393 [0,0,0,0,1,0|2,0,0]=3 109 B12R1.43 CC(C)C(=O)Nc1ccncn1 AIFCHEM-94545050289 [0,0,0,0,1,0|3,0,0]=4 110 B12R1.43 CC(C)C(=O)Nc1ccnnc1 AIFCHEM-94545046115 [0,0,0,0,1,0|3,0,0]=4 111 B12R1.43 CC(C)N(C)Cc1cccnc1 AIFCHEM-94547939400 [0,0,0,0,1,0|3,0,0]=4 112 B12R1.107 CC(C)CN(C)c1cccnc1 AIFCHEM-94572976595 [0,0,0,0,1,0|3,0,0]=4 113 B12R1.107 CC(C)NC(=O)c1cnccn1 AIFCHEM-94520552475 [0,0,0,0,1,0|3,0,0]=4 114 B12R1.107 CC(C)NC(=O)c1cncnc1 AIFCHEM-94520549056 [0,0,0,0,1,0|3,0,0]=4 115 B12R1.260 CC(C)CC(=O)Nc1cnoc1 AIFCHEM-5916482704 [0,0,0,0,1,0|3,0,0]=4 116 B12R1.260 CC(C)CN(C)Cc1ccco1 AIFCHEM-94540089238 [0,0,0,0,1,0|3,0,0]=4 117 B12R1.260 CC(C)NC(=O)Cc1cc[nH]n1 AIFCHEM-94520543778 [0,0,0,0,1,0|3,0,0]=4 118 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 AIFCHEM-94520551225 [0,0,0,0,1,0|2,0,0]=3 119 B12R1.260 CC(C)NC(=O)Cc1nccs1 AIFCHEM-94520546273 [0,0,0,0,1,0|3,0,0]=4 120 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 AIFCHEM-94552045876 [0,0,0,0,0,1|1,0,0]=2 121 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 AIFCHEM-94576235871 [0,0,0,0,0,1|1,0,0]=2 122 B14R1.423 CC(C)SCC(=O)Nc1cccnn1 AIFCHEM-5866941997 [0,0,0,0,0,1|3,0,0]=4 123 B14R1.423 CN(C)CCC(=O)Nc1cccnc1 AIFCHEM-94531015275 [0,0,0,0,0,1|3,0,0]=4 124 B14R1.423 O=C(Cc1ccccn1)NCC(F)F AIFCHEM-94576238556 [0,0,0,0,0,1|3,0,0]=4 125 B14R1.818 CC(C)CC(=O)NCc1cccnc1 AIFCHEM-6239813416 [0,0,0,0,0,1|1,0,0]=2 126 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 AIFCHEM-94520550380 [0,0,0,0,0,1|1,0,1]=3 127 B14R1.818 CC(C)NC(=O)CSc1ccncc1 AIFCHEM-94591216978 [0,0,0,0,0,1|2,0,0]=3 128 B14R1.818 CC(C)NC(C)COc1ccccc1 AIFCHEM-94604160779 [0,0,0,0,0,1|2,0,1]=4 129 B14R1.818 CC(CN(C)C)NCc1ccccc1 AIFCHEM-94539146331 [0,0,0,0,0,1|2,0,1]=4 130 B14R1.818 CC(O)CC(=O)NCc1ccccc1 AIFCHEM-94554639641 [0,0,0,0,0,1|1,0,0]=2 131 B14R1.818 CC(O)CC(=O)NCc1ccncn1 AIFCHEM-94598735959 [0,0,0,0,0,1|3,0,0]=4 132 B14R1.818 CN(C)CC(=O)NCc1ccccn1 AIFCHEM-94594497977 [0,0,0,0,0,1|2,0,0]=3 133 B14R1.818 CN(C)CC(=O)NCc1ccncc1 AIFCHEM-5854384316 [0,0,0,0,0,1|2,0,0]=3 134 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158680 [0,0,0,0,0,1|1,0,0]=2 135 B14R1.818 C[C@@H](O)CC(=O)NCc1ccncn1 AIFCHEM-94598738321 [0,0,0,0,0,1|3,0,0]=4 136 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158619 [0,0,0,0,0,1|1,0,0]=2 137 B14R1.818 C[C@H](O)CC(=O)NCc1ccncn1 AIFCHEM-94598738260 [0,0,0,0,0,1|3,0,0]=4 138 B14R1.818 O=C(CC(F)F)NCc1ccccc1 AIFCHEM-5794680680 [0,0,0,0,0,1|2,0,0]=3 139 B14R1.818 O=C(CC(F)F)NCc1cccnc1 AIFCHEM-6235671316 [0,0,0,0,0,1|3,0,0]=4 140 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [2,0,0,0,0,0|2,0,0]=4 141 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [2,0,0,0,0,0|2,0,0]=4 142 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [2,0,0,0,0,0|2,0,0]=4 143 B13R1.19 CCCN(C)Cc1ccc(cc1)Br AIFCHEM-94538720467 [1,1,0,0,0,0|2,0,0]=4 144 B13R1.19 CCCN(C)Cc1ccc(cc1)C AIFCHEM-94569021655 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl AIFCHEM-5860345714 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.19 COCC(=O)Nc1ccc(cc1)C AIFCHEM-94547765747 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.19 COCC(=O)Nc1ccc(cc1)I AIFCHEM-6151507728 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608724827 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl AIFCHEM-94586018678 [1,1,0,0,0,0|2,0,0]=4 150 B13R1.20 COCC(=O)Nc1cccc(c1)Br AIFCHEM-94552712786 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.20 COCC(=O)Nc1cccc(c1)O AIFCHEM-94542291004 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523498229 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.20 CSCC(=O)Nc1cccc(c1)F AIFCHEM-5690598099 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.20 O=C(CCO)Nc1cccc(c1)Br AIFCHEM-94552711455 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.44 C/C=C/CC(=O)Nc1ccccc1 AIFCHEM-94577031294 [1,1,0,0,0,0|1,0,1]=4 156 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.44 CCCCN(C)Cc1ccccc1 AIFCHEM-94536079434 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.44 CCCNC(=O)Cc1ncccn1 AIFCHEM-94521379928 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.135 CCC(C)C(=O)Nc1ccncc1 AIFCHEM-94533895783 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.135 CCC(O)C(=O)Nc1ccncc1 AIFCHEM-94533902194 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.135 CCN(C)C(=O)Cc1cccnc1 AIFCHEM-94529327136 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.135 CC[C@@H](C)C(=O)Nc1ccncc1 AIFCHEM-94533900183 [1,1,0,0,0,0|2,0,0]=4 164 B13R1.135 CC[C@@H](O)C(=O)Nc1ccncc1 AIFCHEM-94533898638 [1,1,0,0,0,0|2,0,0]=4 165 B13R1.135 CC[C@H](C)C(=O)Nc1ccncc1 AIFCHEM-94533897972 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.135 CC[C@H](O)C(=O)Nc1ccncc1 AIFCHEM-94533900316 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.135 COC(C)C(=O)Nc1ccccc1 AIFCHEM-94552044371 [1,1,0,0,0,0|2,0,0]=4 168 B13R1.135 CO[C@@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032985 [1,1,0,0,0,0|2,0,0]=4 169 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032981 [1,1,0,0,0,0|2,0,0]=4 170 B13R1.470 CCCN(C)Cc1ccccc1Cl AIFCHEM-94569024444 [1,1,0,0,0,0|2,0,0]=4 171 B13R1.470 CCCN(C)Cc1ccccc1F AIFCHEM-5878765147 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.470 CCCN(C)Cc1ccccc1O AIFCHEM-94532467853 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.470 CSCC(=O)Nc1ccccc1C AIFCHEM-94578152707 [1,1,0,0,0,0|2,0,0]=4 174 B13R1.470 Cc1ccccc1NC(=O)CCO AIFCHEM-94578154680 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.149 CC(C)CNCc1cccc(n1)F AIFCHEM-6144922743 [1,1,0,0,0,0|2,0,0]=4 176 B13R1.149 CC(C)CNCc1ccnc(c1)F AIFCHEM-94596798812 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.149 CC(C)CNCc1cncc(c1)O AIFCHEM-94563718904 [1,1,0,0,0,0|2,0,0]=4 178 B13R1.149 CC(O)CNCc1cccc(c1)I AIFCHEM-6472397370 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I AIFCHEM-6491308892 [1,1,0,0,0,0|2,0,0]=4 180 B13R1.149 C[C@H](O)CNCc1cccc(c1)I AIFCHEM-6492983779 [1,1,0,0,0,0|2,0,0]=4 181 B13R1.149 Cc1cccc(c1)CNCC(C)C AIFCHEM-94563723600 [1,1,0,0,0,0|1,0,0]=3 182 B13R1.149 Cc1ccnc(c1)CNCC(C)C AIFCHEM-94599511258 [1,1,0,0,0,0|2,0,0]=4 183 B13R1.149 Cc1cncc(c1)CNCC(C)C AIFCHEM-6163330848 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.158 CC(C)CNCc1ccccc1Cl AIFCHEM-94555010845 [1,1,0,0,0,0|1,0,0]=3 185 B13R1.158 CC(C)CNCc1ccccc1O AIFCHEM-94572986585 [1,1,0,0,0,0|1,0,0]=3 186 B13R1.158 CC(C)CNCc1cccnc1Cl AIFCHEM-94563722233 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.158 CC(C)CNCc1ccncc1Cl AIFCHEM-94563724155 [1,1,0,0,0,0|2,0,0]=4 188 B13R1.158 CC(C)CNCc1ncccc1F AIFCHEM-94563721886 [1,1,0,0,0,0|2,0,0]=4 189 B13R1.158 CC(O)CNCc1ccccc1Br AIFCHEM-6466407006 [1,1,0,0,0,0|2,0,0]=4 190 B13R1.158 CC(O)CNCc1ccccc1O AIFCHEM-94558286349 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.158 C[C@@H](O)CNCc1ccccc1Br AIFCHEM-6499628157 [1,1,0,0,0,0|2,0,0]=4 192 B13R1.158 C[C@@H](O)CNCc1ccccc1O AIFCHEM-94532463768 [1,1,0,0,0,0|2,0,0]=4 193 B13R1.158 C[C@H](O)CNCc1ccccc1Br AIFCHEM-6493229318 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.158 C[C@H](O)CNCc1ccccc1O AIFCHEM-94532463769 [1,1,0,0,0,0|2,0,0]=4 195 B13R1.513 CC(C)CNCc1ccc(cc1)I AIFCHEM-94572980563 [1,1,0,0,0,0|1,0,0]=3 196 B13R1.513 CC(C)CNCc1ccc(nc1)F AIFCHEM-94563723909 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.513 Cc1ccc(cc1)CCNC(C)C AIFCHEM-94520536451 [1,1,0,0,0,0|1,0,1]=4 198 B13R1.513 Cc1ccc(cc1)CNCC(C)C AIFCHEM-6162336895 [1,1,0,0,0,0|1,0,0]=3 199 B13R1.718 CC(CO)CNCc1ccncc1 AIFCHEM-94540296278 [1,1,0,0,0,0|2,0,0]=4 200 B13R1.718 OCC(O)CNCc1ccccc1 AIFCHEM-5834193117 [1,1,0,0,0,0|2,0,0]=4 201 B13R1.718 OC[C@@H](O)CNCc1ccccc1 AIFCHEM-94590563845 [1,1,0,0,0,0|2,0,0]=4 202 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br AIFCHEM-94545040982 [0,1,0,0,1,0|1,0,0]=3 203 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)O AIFCHEM-94596166633 [0,1,0,0,1,0|1,0,0]=3 204 B13R1.133 CC(C)C(=O)Nc1ccc(cn1)I AIFCHEM-94545046042 [0,1,0,0,1,0|2,0,0]=4 205 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br AIFCHEM-94547935673 [0,1,0,0,1,0|2,0,0]=4 206 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl AIFCHEM-94547935404 [0,1,0,0,1,0|2,0,0]=4 207 B13R1.148 CC(C)C(=O)Nc1cc(ccn1)F AIFCHEM-94545055231 [0,1,0,0,1,0|2,0,0]=4 208 B13R1.148 CC(C)C(=O)Nc1cncc(c1)Cl AIFCHEM-94545046601 [0,1,0,0,1,0|2,0,0]=4 209 B13R1.148 CC(C)C(=O)Nc1cncc(c1)I AIFCHEM-94545047065 [0,1,0,0,1,0|2,0,0]=4 210 B13R1.148 CC(O)C(=O)Nc1cccc(c1)F AIFCHEM-94540231464 [0,1,0,0,1,0|2,0,0]=4 211 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F AIFCHEM-94579355466 [0,1,0,0,1,0|2,0,0]=4 212 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F AIFCHEM-94579363490 [0,1,0,0,1,0|2,0,0]=4 213 B13R1.152 CC(C)C(=O)N(C)c1ccncc1 AIFCHEM-94545041287 [0,1,0,0,1,0|2,0,0]=4 214 B13R1.202 CC(C)C(=O)Nc1ccccc1F AIFCHEM-94582115175 [0,1,0,0,1,0|1,0,0]=3 215 B13R1.202 CC(C)C(=O)Nc1ccccc1I AIFCHEM-94545050517 [0,1,0,0,1,0|1,0,0]=3 216 B13R1.202 CC(C)C(=O)Nc1cnccc1Br AIFCHEM-94545046859 [0,1,0,0,1,0|2,0,0]=4 217 B13R1.202 CC(C)C(=O)Nc1ncccc1F AIFCHEM-94545046416 [0,1,0,0,1,0|2,0,0]=4 218 B13R1.202 CC(C)N(C)Cc1ccccc1F AIFCHEM-94547939220 [0,1,0,0,1,0|2,0,0]=4 219 B13R1.202 CC(C)N(C)Cc1ccccc1O AIFCHEM-94547941496 [0,1,0,0,1,0|2,0,0]=4 220 B13R1.353 CC(C)(C)C(=O)Nc1ccccn1 AIFCHEM-94586370843 [0,1,0,0,1,0|2,0,0]=4 221 B13R1.11 C#CC(C)NC(=O)c1ccccc1 AIFCHEM-94565581145 [0,1,0,0,1,0|1,0,1]=4 222 B13R1.11 C#C[C@H](C)NC(=O)c1ccccc1 AIFCHEM-94565576077 [0,1,0,0,1,0|1,0,1]=4 223 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl AIFCHEM-94572986588 [0,1,0,0,1,0|2,0,0]=4 224 B13R1.132 CC(C)CN(C)c1ccc(cc1)F AIFCHEM-94572981185 [0,1,0,0,1,0|2,0,0]=4 225 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 AIFCHEM-94520549266 [0,1,0,0,1,0|2,0,0]=4 226 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I AIFCHEM-94520550233 [0,1,0,0,1,0|1,0,0]=3 227 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O AIFCHEM-94538165114 [0,1,0,0,1,0|2,0,0]=4 228 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C AIFCHEM-94572982996 [0,1,0,0,1,0|2,0,0]=4 229 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl AIFCHEM-94572983928 [0,1,0,0,1,0|2,0,0]=4 230 B13R1.147 CC(C)CN(C)c1cccc(c1)F AIFCHEM-94572977069 [0,1,0,0,1,0|2,0,0]=4 231 B13R1.147 CC(C)NC(=O)c1cncc(c1)O AIFCHEM-94520547728 [0,1,0,0,1,0|2,0,0]=4 232 B13R1.201 CC(C)NC(=O)c1ccc[nH]c1=O AIFCHEM-94520550156 [0,1,0,0,1,0|2,0,0]=4 233 B13R1.201 CC(C)NC(=O)c1ccncc1F AIFCHEM-94520548666 [0,1,0,0,1,0|2,0,0]=4 234 B13R1.201 CC(C)NC(=O)c1ccncc1I AIFCHEM-94520549940 [0,1,0,0,1,0|2,0,0]=4 235 B13R1.201 CC(C)NC(=O)c1ccncc1O AIFCHEM-94520543033 [0,1,0,0,1,0|2,0,0]=4 236 B13R1.201 CC(C)NC(=O)c1ncccc1O AIFCHEM-94520551654 [0,1,0,0,1,0|2,0,0]=4 237 B13R1.201 Cc1ccccc1N(C)CC(C)C AIFCHEM-94586631301 [0,1,0,0,1,0|2,0,0]=4 238 B13R1.713 CCN(CC(C)C)c1ccccc1 AIFCHEM-94562512824 [0,1,0,0,1,0|2,0,0]=4 239 B13R1.340 CC(C)CC(=O)N(C)c1ccsc1 AIFCHEM-94556447580 [0,1,0,0,1,0|2,0,0]=4 240 B13R1.340 CC(C)NC(=O)C(C)n1cccc1 AIFCHEM-94520550383 [0,1,0,0,1,0|2,0,0]=4 241 B13R1.346 CC(C)C(C)C(=O)Nc1ccsc1 AIFCHEM-94572623623 [0,1,0,0,1,0|2,0,0]=4 242 B13R1.1116 CC(C)(C)NC(=O)Cc1ccco1 AIFCHEM-94589413868 [0,1,0,0,1,0|2,0,0]=4 243 B13R1.3424 Cc1ccc(s1)NC(=O)CC(C)C AIFCHEM-6261417870 [0,1,0,0,1,0|2,0,0]=4 244 B15R1.111 CC(C)CCC(=O)Nc1ccc(=O)[nH]c1 AIFCHEM-5999825884 [0,1,0,0,0,1|2,0,0]=4 245 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl AIFCHEM-94563728617 [0,1,0,0,0,1|0,0,0]=2 246 B15R1.111 CC(C)CNC(=O)Cc1ccc(cn1)O AIFCHEM-6123065252 [0,1,0,0,0,1|1,0,0]=3 247 B15R1.111 CC(C)OCC(=O)Nc1ccc(cc1)F AIFCHEM-94540072368 [0,1,0,0,0,1|1,0,0]=3 248 B15R1.111 CC(C)OCC(=O)Nc1ccc(cc1)I AIFCHEM-6111723582 [0,1,0,0,0,1|1,0,0]=3 249 B15R1.111 CC(C)SCC(=O)Nc1ccc(cc1)O AIFCHEM-94574887434 [0,1,0,0,0,1|1,0,0]=3 250 B15R1.111 CN(C)CCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608727788 [0,1,0,0,0,1|2,0,0]=4 251 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C AIFCHEM-94584238624 [0,1,0,0,0,1|1,0,0]=3 252 B15R1.111 Cc1ccc(cc1)NC(=O)COC(C)C AIFCHEM-94584236414 [0,1,0,0,0,1|1,0,0]=3 253 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br AIFCHEM-94552712941 [0,1,0,0,0,1|1,0,0]=3 254 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523501308 [0,1,0,0,0,1|1,0,0]=3 255 B15R1.120 CC(C)CCN(C)Cc1cccc(c1)Br AIFCHEM-6096442749 [0,1,0,0,0,1|2,0,0]=4 256 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O AIFCHEM-6179570320 [0,1,0,0,0,1|0,0,0]=2 257 B15R1.120 CC(C)CNC(=O)Cc1cccc(n1)F AIFCHEM-94563725326 [0,1,0,0,0,1|1,0,0]=3 258 B15R1.120 CC(C)CNC(=O)Cc1cccc(n1)O AIFCHEM-94563734646 [0,1,0,0,0,1|1,0,0]=3 259 B15R1.120 CC(C)CNC(=O)Cc1ccnc(c1)Br AIFCHEM-6179745985 [0,1,0,0,0,1|1,0,0]=3 260 B15R1.120 CC(C)CNC(=O)Cc1ccnc(c1)Cl AIFCHEM-94563734232 [0,1,0,0,0,1|1,0,0]=3 261 B15R1.120 CC(C)SCC(=O)Nc1cc(ccn1)Cl AIFCHEM-5901773131 [0,1,0,0,0,1|2,0,0]=4 262 B15R1.120 CC(C)SCC(=O)Nc1cc(ccn1)O AIFCHEM-94535015231 [0,1,0,0,0,1|2,0,0]=4 263 B15R1.120 CC(C)SCC(=O)Nc1ccnc(c1)O AIFCHEM-94552269891 [0,1,0,0,0,1|2,0,0]=4 264 B15R1.120 CC(C)SCC(=O)Nc1cncc(c1)I AIFCHEM-5597299672 [0,1,0,0,0,1|2,0,0]=4 265 B15R1.120 CC(C)SCC(=O)Nc1cncc(c1)O AIFCHEM-94532893772 [0,1,0,0,0,1|2,0,0]=4 266 B15R1.120 Cc1cc(ccn1)NC(=O)CSC(C)C AIFCHEM-5835664905 [0,1,0,0,0,1|2,0,0]=4 267 B15R1.120 Cc1cccc(c1)NC(=O)COC(C)C AIFCHEM-94565754804 [0,1,0,0,0,1|1,0,0]=3 268 B15R1.120 Cc1ccnc(c1)NC(=O)CCC(C)C AIFCHEM-5859978047 [0,1,0,0,0,1|2,0,0]=4 269 B15R1.120 Cc1ccnc(c1)NC(=O)COC(C)C AIFCHEM-5840060150 [0,1,0,0,0,1|2,0,0]=4 270 B15R1.120 Cc1cncc(c1)NC(=O)CSC(C)C AIFCHEM-94524193913 [0,1,0,0,0,1|2,0,0]=4 271 B15R1.256 CC(=O)CNC(=O)Cc1ccccc1Br AIFCHEM-6038494314 [0,1,0,0,0,1|1,0,1]=4 272 B15R1.256 CC(=O)CNC(=O)Cc1ccccc1F AIFCHEM-6012929567 [0,1,0,0,0,1|1,0,1]=4 273 B15R1.256 CC(=O)CNC(=O)Cc1ccccc1I AIFCHEM-6039741741 [0,1,0,0,0,1|1,0,1]=4 274 B15R1.256 CC(C)CCN(C)Cc1ccccc1F AIFCHEM-6149216723 [0,1,0,0,0,1|2,0,0]=4 275 B15R1.256 CC(C)CCN(C)Cc1ccccc1O AIFCHEM-94532463159 [0,1,0,0,0,1|2,0,0]=4 276 B15R1.256 CC(C)OCC(=O)Nc1ccccc1F AIFCHEM-94582112189 [0,1,0,0,0,1|1,0,0]=3 277 B15R1.256 CC(C)OCC(=O)Nc1cccnc1O AIFCHEM-94551085092 [0,1,0,0,0,1|2,0,0]=4 278 B15R1.256 CC(C)OCC(=O)Nc1ccncc1O AIFCHEM-94608774547 [0,1,0,0,0,1|2,0,0]=4 279 B15R1.256 CC(C)SCC(=O)Nc1ccccc1Cl AIFCHEM-94556557408 [0,1,0,0,0,1|1,0,0]=3 280 B15R1.256 CC(C)SCC(=O)Nc1ccccc1I AIFCHEM-5921758989 [0,1,0,0,0,1|1,0,0]=3 281 B15R1.256 CC(C)SCC(=O)Nc1ccncc1Cl AIFCHEM-6057706267 [0,1,0,0,0,1|2,0,0]=4 282 B15R1.256 Cc1ccccc1CN(C)CCC(C)C AIFCHEM-6180032051 [0,1,0,0,0,1|2,0,0]=4 283 B15R1.256 Cc1ccccc1NC(=O)CSC(C)C AIFCHEM-5921307341 [0,1,0,0,0,1|1,0,0]=3 284 B15R1.256 Cc1cnccc1NC(=O)COC(C)C AIFCHEM-6057157641 [0,1,0,0,0,1|2,0,0]=4 285 B15R1.496 CC(C)CN(C)C(=O)Cc1ccccn1 AIFCHEM-5782349429 [0,1,0,0,0,1|1,0,0]=3 286 B15R1.964 CC(C#N)CNC(=O)Cc1ccccn1 AIFCHEM-94576240352 [0,1,0,0,0,1|1,0,1]=4 287 B15R1.964 CCC(C)CCC(=O)Nc1ccccn1 AIFCHEM-5962217347 [0,1,0,0,0,1|2,0,0]=4 288 B15R1.964 CCC(C)CNC(=O)Cc1ccncc1 AIFCHEM-94534481126 [0,1,0,0,0,1|1,0,0]=3 289 B15R1.964 CCC(C)CNC(=O)Cc1cncnc1 AIFCHEM-94534482896 [0,1,0,0,0,1|2,0,0]=4 290 B15R1.964 COC(C)CNC(=O)Cc1cncnc1 AIFCHEM-5789710575 [0,1,0,0,0,1|2,0,0]=4 291 B15R1.964 COC(C)CNC(=O)Cc1ncccn1 AIFCHEM-5874258275 [0,1,0,0,0,1|2,0,0]=4 292 B15R1.964 CO[C@@H](C)CNC(=O)Cc1cncnc1 AIFCHEM-5930888581 [0,1,0,0,0,1|2,0,0]=4 293 B15R1.964 CO[C@@H](C)CNC(=O)Cc1ncccn1 AIFCHEM-94588793718 [0,1,0,0,0,1|2,0,0]=4 294 B15R1.964 CO[C@H](C)CNC(=O)Cc1cncnc1 AIFCHEM-94608848812 [0,1,0,0,0,1|2,0,0]=4 295 B15R1.964 CO[C@H](C)CNC(=O)Cc1ncccn1 AIFCHEM-94608849812 [0,1,0,0,0,1|2,0,0]=4 296 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 AIFCHEM-94545189378 [0,1,0,0,0,1|1,0,0]=3 297 B15R1.1078 CC(C)OCC(=O)N(C)c1cccnc1 AIFCHEM-6150295618 [0,1,0,0,0,1|2,0,0]=4 298 B15R1.3675 CC(C)C(C)NC(=O)Cc1ccncc1 AIFCHEM-6191050616 [0,1,0,0,0,1|1,0,0]=3 299 B15R1.3675 CC(C)[C@@H](C)NC(=O)Cc1ccncc1 AIFCHEM-94576831407 [0,1,0,0,0,1|1,0,0]=3 300 B15R1.9108 CC(C)(C)C#CC(=O)Nc1ccccc1 AIFCHEM-94577035229 [0,1,0,0,0,1|1,0,1]=4 301 B15R1.9108 CC(C)(C)CNC(=O)Cc1cnccn1 AIFCHEM-94570504852 [0,1,0,0,0,1|2,0,0]=4 302 B15R1.9108 CC(C)(F)CNC(=O)Cc1cccnc1 AIFCHEM-5770919436 [0,1,0,0,0,1|1,0,0]=3 303 B15R1.130 CC(C)CC(=O)NCc1ccccc1O AIFCHEM-94592072496 [0,1,0,0,0,1|0,0,0]=2 304 B15R1.130 CC(C)NC(=O)COc1ccccc1F AIFCHEM-94520548311 [0,1,0,0,0,1|1,0,0]=3 305 B15R1.130 CC(O)CC(=O)NCc1ccccc1I AIFCHEM-94574483979 [0,1,0,0,0,1|1,0,0]=3 306 B15R1.130 CC(O)CC(=O)NCc1ccccc1O AIFCHEM-94592071085 [0,1,0,0,0,1|1,0,0]=3 307 B15R1.130 CN(C)CC(=O)NCc1ccccc1O AIFCHEM-94594503119 [0,1,0,0,0,1|1,0,0]=3 308 B15R1.130 C[C@@H](O)CC(=O)NCc1ccccc1I AIFCHEM-94574486341 [0,1,0,0,0,1|1,0,0]=3 309 B15R1.130 C[C@@H](O)CC(=O)NCc1ccccc1O AIFCHEM-94592073447 [0,1,0,0,0,1|1,0,0]=3 310 B15R1.130 C[C@H](O)CC(=O)NCc1ccccc1I AIFCHEM-94574486280 [0,1,0,0,0,1|1,0,0]=3 311 B15R1.130 C[C@H](O)CC(=O)NCc1ccccc1O AIFCHEM-94592073386 [0,1,0,0,0,1|1,0,0]=3 312 B15R1.130 Cc1ccccc1C#CC(=O)NC(C)C AIFCHEM-94520551006 [0,1,0,0,0,1|1,0,1]=4 313 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C AIFCHEM-6159457016 [0,1,0,0,0,1|0,0,0]=2 314 B15R1.130 Cc1ccccc1OCC(=O)NC(C)C AIFCHEM-94520546235 [0,1,0,0,0,1|1,0,0]=3 315 B15R1.130 O=C(CC(F)F)NCc1ccccc1O AIFCHEM-94592068596 [0,1,0,0,0,1|2,0,0]=4 316 B15R1.741 C#CC(C)NC(=O)CSc1ccccc1 AIFCHEM-5755080984 [0,1,0,0,0,1|1,0,1]=4 317 B15R1.741 C#C[C@H](C)NC(=O)CSc1ccccc1 AIFCHEM-6036673016 [0,1,0,0,0,1|1,0,1]=4 318 B15R1.741 CCC(C)CC(=O)NCc1ccncc1 AIFCHEM-94574671554 [0,1,0,0,0,1|1,0,0]=3 319 B15R1.741 CC[C@H](C)CC(=O)NCc1cccnc1 AIFCHEM-6238704371 [0,1,0,0,0,1|1,0,0]=3 320 B15R1.741 CC[C@H](C)CC(=O)NCc1ccncc1 AIFCHEM-94574674162 [0,1,0,0,0,1|1,0,0]=3 321 B15R1.741 CC[C@H](C)CC(=O)NCc1ncccn1 AIFCHEM-5836561352 [0,1,0,0,0,1|2,0,0]=4 322 B15R1.741 C[C@@H](CF)NC(=O)COc1ccccn1 AIFCHEM-6011937889 [0,1,0,0,0,1|2,0,0]=4 323 B15R1.741 C[C@@H](CF)NC(=O)COc1cccnc1 AIFCHEM-6086642330 [0,1,0,0,0,1|2,0,0]=4 324 B15R1.741 C[C@H](CF)NC(=O)COc1ccccn1 AIFCHEM-6116207012 [0,1,0,0,0,1|2,0,0]=4 325 B15R1.741 C[C@H](CF)NC(=O)COc1cccnc1 AIFCHEM-6169090111 [0,1,0,0,0,1|2,0,0]=4 326 B15R1.870 CC(C)CC(=O)NCc1ccc(cn1)F AIFCHEM-6131921615 [0,1,0,0,0,1|1,0,0]=3 327 B15R1.870 CC(C)CC(=O)NCc1ccc(cn1)O AIFCHEM-6078041168 [0,1,0,0,0,1|1,0,0]=3 328 B15R1.870 CC(C)CC(=O)NCc1ncc(cn1)Cl AIFCHEM-6235388670 [0,1,0,0,0,1|2,0,0]=4 329 B15R1.870 CC(C)CN(C)CCc1ccc(cc1)Br AIFCHEM-5768503760 [0,1,0,0,0,1|2,0,0]=4 330 B15R1.870 CC(C)NC(=O)COc1ccc(cc1)I AIFCHEM-94520546252 [0,1,0,0,0,1|1,0,0]=3 331 B15R1.870 CC(C)NC(=O)COc1ccc(nc1)Cl AIFCHEM-94520547204 [0,1,0,0,0,1|2,0,0]=4 332 B15R1.870 Cc1ccc(cc1)CCC(=O)NC(C)C AIFCHEM-94520545318 [0,1,0,0,0,1|1,0,0]=3 333 B15R1.870 Cc1ccc(cc1)OCC(=O)NC(C)C AIFCHEM-94520552286 [0,1,0,0,0,1|1,0,0]=3 334 B15R1.870 Cc1ccc(cc1)SCC(=O)NC(C)C AIFCHEM-94520548717 [0,1,0,0,0,1|1,0,0]=3 335 B15R1.870 Cc1ccc(cn1)CCC(=O)NC(C)C AIFCHEM-94520543791 [0,1,0,0,0,1|2,0,0]=4 336 B15R1.870 Cc1ccc(nc1)CNC(=O)CC(C)O AIFCHEM-5862833513 [0,1,0,0,0,1|2,0,0]=4 337 B15R1.870 Cc1ccc(nc1)CNC(=O)C[C@@H](C)O AIFCHEM-5862708380 [0,1,0,0,0,1|2,0,0]=4 338 B15R1.870 Cc1ccc(nc1)CNC(=O)C[C@H](C)O AIFCHEM-94544201555 [0,1,0,0,0,1|2,0,0]=4 339 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 AIFCHEM-94520548313 [0,1,0,0,0,1|1,0,0]=3 340 B15R1.1076 CC(NC(=O)C[C@@H](C)O)c1ccccn1 AIFCHEM-5791582172 [0,1,0,0,0,1|2,0,0]=4 341 B15R1.1076 CC(NC(=O)C[C@H](C)O)c1ccccn1 AIFCHEM-94521944837 [0,1,0,0,0,1|2,0,0]=4 342 B15R1.1076 CC(O)CC(=O)NC(C)c1ccccn1 AIFCHEM-94521942536 [0,1,0,0,0,1|2,0,0]=4 343 B15R1.1076 CC(O)CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5624668211 [0,1,0,0,0,1|2,0,0]=4 344 B15R1.1076 CC(O)CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-6022635183 [0,1,0,0,0,1|2,0,0]=4 345 B15R1.1076 C[C@@H](NC(=O)CN(C)C)c1ccncc1 AIFCHEM-5660463706 [0,1,0,0,0,1|2,0,0]=4 346 B15R1.1076 C[C@@H](O)CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-6061904893 [0,1,0,0,0,1|2,0,0]=4 347 B15R1.1076 C[C@H](NC(=O)CN(C)C)c1ccncc1 AIFCHEM-94567323652 [0,1,0,0,0,1|2,0,0]=4 348 B15R1.1076 C[C@H](NC(=O)C[C@@H](C)O)c1ccccn1 AIFCHEM-5681855324 [0,1,0,0,0,1|2,0,0]=4 349 B15R1.1076 C[C@H](O)CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-94521912273 [0,1,0,0,0,1|2,0,0]=4 350 B15R1.1076 C[C@H](O)CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582279668 [0,1,0,0,0,1|2,0,0]=4 351 B15R1.3465 CC(C)(Br)CC(=O)NCc1cccnc1 AIFCHEM-94607812117 [0,1,0,0,0,1|1,0,0]=3 352 B15R1.3465 CC(C)(Br)CC(=O)NCc1cnccn1 AIFCHEM-94604425887 [0,1,0,0,0,1|2,0,0]=4 353 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 AIFCHEM-94554635070 [0,1,0,0,0,1|0,0,0]=2 354 B15R1.3465 CC(C)(C)CC(=O)NCc1cnccn1 AIFCHEM-5844043264 [0,1,0,0,0,1|2,0,0]=4 355 B15R1.3465 CC(C)(C)NC(=O)CCc1cccnc1 AIFCHEM-94589414680 [0,1,0,0,0,1|2,0,0]=4 356 B15R1.3465 CC(C)(C)NC(=O)CCc1ccncc1 AIFCHEM-94527128565 [0,1,0,0,0,1|2,0,0]=4 357 B15R1.3465 CC(C)(C)NC(=O)COc1ccncc1 AIFCHEM-94527128228 [0,1,0,0,0,1|2,0,0]=4 358 B15R1.3465 CC(C)(Cl)CC(=O)NCc1ccccn1 AIFCHEM-94604520103 [0,1,0,0,0,1|1,0,0]=3 359 B15R1.3465 CC(C)(Cl)CC(=O)NCc1ccncc1 AIFCHEM-94604520105 [0,1,0,0,0,1|1,0,0]=3 360 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 AIFCHEM-94539158678 [0,1,0,0,0,1|0,0,0]=2 361 B15R1.3465 CC(C)(O)CC(=O)NCc1ccncn1 AIFCHEM-94598738319 [0,1,0,0,0,1|2,0,0]=4 362 B15R1.3465 CS(=O)(=O)CC(=O)NCc1ccccc1 AIFCHEM-94554639169 [0,1,0,0,0,1|2,0,0]=4 363 B15R1.3678 CC(C(=O)NCc1ccccc1)N(C)C AIFCHEM-94539154859 [0,1,0,0,0,1|1,0,0]=3 364 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 AIFCHEM-94554636791 [0,1,0,0,0,1|0,0,0]=2 365 B15R1.3678 CC(C)C(O)C(=O)NCc1ccccc1 AIFCHEM-5834471916 [0,1,0,0,0,1|0,0,0]=2 366 B15R1.3678 CC(C)C(O)C(=O)NCc1ncccn1 AIFCHEM-94601446766 [0,1,0,0,0,1|2,0,0]=4 367 B15R1.3678 CC(C)N(C)C(=O)CCc1ccccc1 AIFCHEM-94547948245 [0,1,0,0,0,1|1,0,0]=3 368 B15R1.3678 CC(C)N(C)C(=O)CCc1ccccn1 AIFCHEM-94547944303 [0,1,0,0,0,1|2,0,0]=4 369 B15R1.3678 CC(C)N(C)C(=O)COc1ccccc1 AIFCHEM-94547943023 [0,1,0,0,0,1|1,0,0]=3 370 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ccccc1 AIFCHEM-94554637630 [0,1,0,0,0,1|0,0,0]=2 371 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ccccn1 AIFCHEM-5717603218 [0,1,0,0,0,1|1,0,0]=3 372 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ncccn1 AIFCHEM-94601443912 [0,1,0,0,0,1|2,0,0]=4 373 B15R1.3678 CC(C)[C@H](O)C(=O)NCc1ccccc1 AIFCHEM-5867993911 [0,1,0,0,0,1|0,0,0]=2 374 B15R1.3678 CC(C)[C@H](O)C(=O)NCc1ccccn1 AIFCHEM-5708727952 [0,1,0,0,0,1|1,0,0]=3 375 B15R1.3678 CC(C)[C@H](O)C(=O)NCc1ncccn1 AIFCHEM-94601443911 [0,1,0,0,0,1|2,0,0]=4 376 B15R1.3678 C[C@@H](C(=O)NCc1ccccc1)N(C)C AIFCHEM-94539156157 [0,1,0,0,0,1|1,0,0]=3 377 B15R1.3678 C[C@H](C(=O)NCc1ccccc1)N(C)C AIFCHEM-5867817696 [0,1,0,0,0,1|1,0,0]=3 378 B15R1.8263 CC(C)NC(=O)CCc1cccc(c1)Br AIFCHEM-94520548867 [0,1,0,0,0,1|1,0,0]=3 379 B15R1.8263 CC(C)NC(=O)CCc1cccc(c1)Cl AIFCHEM-94520546934 [0,1,0,0,0,1|1,0,0]=3 380 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(F)F AIFCHEM-5757938876 [0,1,0,0,0,1|2,0,0]=4 381 B15R1.8263 Cc1cccc(c1)OCC(=O)NC(C)C AIFCHEM-94520545666 [0,1,0,0,0,1|1,0,0]=3 382 B15R1.363 CC(C)C(C)C(=O)Nc1ccccc1F AIFCHEM-94582109033 [0,2,0,0,0,0|1,0,0]=3 383 B15R1.363 CC(C)C(C)C(=O)Nc1ccccc1I AIFCHEM-5900962724 [0,2,0,0,0,0|1,0,0]=3 384 B15R1.363 CC(C)C(C)C(=O)Nc1ccncc1Br AIFCHEM-5790024642 [0,2,0,0,0,0|2,0,0]=4 385 B15R1.363 CC(C)C(C)C(=O)Nc1ncccc1F AIFCHEM-6000417171 [0,2,0,0,0,0|2,0,0]=4 386 B15R1.363 CC(C)C(C)N(C)Cc1ccccc1O AIFCHEM-94532463677 [0,2,0,0,0,0|2,0,0]=4 387 B15R1.363 CC(C)C(O)C(=O)Nc1cccnc1O AIFCHEM-94551085629 [0,2,0,0,0,0|2,0,0]=4 388 B15R1.363 CC(C)N(C)C(=O)Cc1ncccc1Cl AIFCHEM-94547950717 [0,2,0,0,0,0|2,0,0]=4 389 B15R1.363 CC(C)[C@@H](O)C(=O)Nc1cccnc1O AIFCHEM-94551082775 [0,2,0,0,0,0|2,0,0]=4 390 B15R1.363 CC(C)[C@H](O)C(=O)Nc1cccnc1O AIFCHEM-94551082774 [0,2,0,0,0,0|2,0,0]=4 391 B15R1.363 C[C@@H](C(=O)Nc1ccccc1O)N(C)C AIFCHEM-94521344570 [0,2,0,0,0,0|2,0,0]=4 392 B15R1.363 C[C@H](C(=O)Nc1ccccc1O)N(C)C AIFCHEM-94521342298 [0,2,0,0,0,0|2,0,0]=4 393 B15R1.363 Cc1ccccc1NC(=O)[C@@H](C)N(C)C AIFCHEM-94578150837 [0,2,0,0,0,0|2,0,0]=4 394 B15R1.363 Cc1ccccc1NC(=O)[C@H](C)N(C)C AIFCHEM-94578153109 [0,2,0,0,0,0|2,0,0]=4 395 B15R1.363 Cc1cccnc1NC(=O)C(C)C(C)C AIFCHEM-6004254763 [0,2,0,0,0,0|2,0,0]=4 396 B15R1.670 CCN(Cc1ccccc1I)CC(C)C AIFCHEM-6054139236 [0,2,0,0,0,0|2,0,0]=4 397 B15R1.670 CCN(Cc1ccccc1O)CC(C)C AIFCHEM-94572971357 [0,2,0,0,0,0|2,0,0]=4 398 B15R1.762 CC(CF)NC(=O)Cc1ncccc1Cl AIFCHEM-6176312517 [0,2,0,0,0,0|2,0,0]=4 399 B15R1.762 CC(CF)NC(=O)Cn1ccccc1=O AIFCHEM-6109529823 [0,2,0,0,0,0|2,0,0]=4 400 B15R1.762 CCC(C)CC(=O)Nc1cccnc1O AIFCHEM-94551080143 [0,2,0,0,0,0|2,0,0]=4 401 B15R1.762 CCC(C)CN(C)Cc1ccccc1Cl AIFCHEM-94532905785 [0,2,0,0,0,0|2,0,0]=4 402 B15R1.762 CCC(C)CN(C)Cc1ccccc1O AIFCHEM-94532458483 [0,2,0,0,0,0|2,0,0]=4 403 B15R1.762 CC[C@H](C)CC(=O)Nc1ccc[nH]c1=O AIFCHEM-94549273655 [0,2,0,0,0,0|2,0,0]=4 404 B15R1.762 CC[C@H](C)CC(=O)Nc1ccccc1Cl AIFCHEM-94546073435 [0,2,0,0,0,0|1,0,0]=3 405 B15R1.762 CC[C@H](C)CC(=O)Nc1ccncc1I AIFCHEM-5820395593 [0,2,0,0,0,0|2,0,0]=4 406 B15R1.762 CC[C@H](C)CC(=O)Nc1cnccc1Br AIFCHEM-5948713562 [0,2,0,0,0,0|2,0,0]=4 407 B15R1.762 CC[C@H](C)CC(=O)Nc1cnccc1I AIFCHEM-5845314771 [0,2,0,0,0,0|2,0,0]=4 408 B15R1.762 C[C@@H](CF)NC(=O)Cc1ncccc1Cl AIFCHEM-6012241716 [0,2,0,0,0,0|2,0,0]=4 409 B15R1.762 C[C@@H](CF)NC(=O)Cn1ccccc1=O AIFCHEM-6012064494 [0,2,0,0,0,0|2,0,0]=4 410 B15R1.762 C[C@H](CF)NC(=O)Cc1ncccc1Cl AIFCHEM-6110447635 [0,2,0,0,0,0|2,0,0]=4 411 B15R1.762 C[C@H](CF)NC(=O)Cn1ccccc1=O AIFCHEM-6116358386 [0,2,0,0,0,0|2,0,0]=4 412 B15R1.1145 C#Cc1ccccc1NC(=O)CC(C)C AIFCHEM-5794721626 [0,2,0,0,0,0|1,0,0]=3 413 B15R1.1145 CC(C)CN(C)Cc1ccccc1C#N AIFCHEM-5736400499 [0,2,0,0,0,0|2,0,0]=4 414 B15R1.1145 CC(C)CN(C)Cc1ccccc1CO AIFCHEM-94554560256 [0,2,0,0,0,0|2,0,0]=4 415 B15R1.1145 COc1ccccc1CC(=O)NC(C)C AIFCHEM-94520552212 [0,2,0,0,0,0|1,0,0]=3 416 B15R1.5792 CC(C)CC(=O)N(C)c1ccccc1Br AIFCHEM-5703359102 [0,2,0,0,0,0|1,0,0]=3 417 B15R1.5792 CC(C)NC(=O)C(C)c1ccccc1Cl AIFCHEM-94520546978 [0,2,0,0,0,0|1,0,0]=3 418 B15R1.5792 CC(C)NC(=O)C(O)c1ccccc1Cl AIFCHEM-94520543241 [0,2,0,0,0,0|1,0,0]=3 419 B15R1.5792 CC(C)NC(=O)[C@@H](O)c1ccccc1Cl AIFCHEM-94520549566 [0,2,0,0,0,0|1,0,0]=3 420 B15R1.5792 CC(C)NC(=O)[C@H](O)c1ccccc1Cl AIFCHEM-94520549565 [0,2,0,0,0,0|1,0,0]=3 421 B15R1.5802 CC(C)(C)CC(=O)Nc1ccccc1O AIFCHEM-94591823780 [0,2,0,0,0,0|1,0,0]=3 422 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Br AIFCHEM-94527124449 [0,2,0,0,0,0|1,0,0]=3 423 B15R1.5802 CC(C)(Cl)CC(=O)Nc1ccccc1Cl AIFCHEM-94604515214 [0,2,0,0,0,0|1,0,0]=3 424 B15R1.5802 CC(C)(Cl)CC(=O)Nc1ccccc1I AIFCHEM-94604522243 [0,2,0,0,0,0|1,0,0]=3 425 B15R1.5802 CC(C)(Cl)CC(=O)Nc1ccccc1O AIFCHEM-94604525491 [0,2,0,0,0,0|1,0,0]=3 426 B15R1.5802 CC(C)(Cl)CC(=O)Nc1cccnc1O AIFCHEM-94604519693 [0,2,0,0,0,0|2,0,0]=4 427 B15R1.5802 CC(C)(Cl)CC(=O)Nc1ccncc1Br AIFCHEM-94604515086 [0,2,0,0,0,0|2,0,0]=4 428 B15R1.5802 CC(C)(Cl)CC(=O)Nc1cnccc1Br AIFCHEM-94604518585 [0,2,0,0,0,0|2,0,0]=4 429 B15R1.5802 CC(C)(Cl)CC(=O)Nc1cnccc1O AIFCHEM-94604522448 [0,2,0,0,0,0|2,0,0]=4 430 B15R1.5802 CC(C)(O)CC(=O)Nc1ccccc1O AIFCHEM-94521347091 [0,2,0,0,0,0|1,0,0]=3 431 B15R1.5802 CN(Cc1ccccc1F)CC(C)(C)C AIFCHEM-6098752572 [0,2,0,0,0,0|2,0,0]=4 432 B15R1.5802 CN(Cc1ccccc1F)CC(C)(C)O AIFCHEM-6455118619 [0,2,0,0,0,0|2,0,0]=4 433 B15R1.5802 CN(Cc1ccccc1O)CC(C)(C)C AIFCHEM-94532464256 [0,2,0,0,0,0|2,0,0]=4 434 B15R1.5802 CN(Cc1ccccc1O)CC(C)(C)O AIFCHEM-94532468449 [0,2,0,0,0,0|2,0,0]=4 435 B15R1.5802 Cc1ccncc1NC(=O)CC(C)(C)Cl AIFCHEM-94604519744 [0,2,0,0,0,0|2,0,0]=4 436 B15R1.5802 Cc1cnccc1NC(=O)CC(C)(C)Br AIFCHEM-94607809603 [0,2,0,0,0,0|2,0,0]=4 437 B15R1.5802 Cc1cnccc1NC(=O)CC(C)(C)C AIFCHEM-6038741906 [0,2,0,0,0,0|2,0,0]=4 438 B15R1.5802 Cc1cnccc1NC(=O)CC(C)(C)Cl AIFCHEM-94604517590 [0,2,0,0,0,0|2,0,0]=4 439 B15R1.8274 CC(C)CC(=O)Nc1cccc(c1F)F AIFCHEM-5903481758 [0,2,0,0,0,0|1,0,0]=3 440 B15R1.8274 CC(C)CC(=O)Nc1cccc(c1I)F AIFCHEM-94568018758 [0,2,0,0,0,0|1,0,0]=3 441 B15R1.8274 CC(C)CC(=O)Nc1nccc(c1O)Br AIFCHEM-94599057388 [0,2,0,0,0,0|2,0,0]=4 442 B15R1.8274 CC(C)CN(C)Cc1cccc(c1Br)Cl AIFCHEM-5710894717 [0,2,0,0,0,0|2,0,0]=4 443 B15R1.8274 CC(C)CN(C)Cc1cccc(c1Br)F AIFCHEM-5768482479 [0,2,0,0,0,0|2,0,0]=4 444 B15R1.8274 CC(C)CN(C)Cc1cccc(c1Cl)Br AIFCHEM-5768431366 [0,2,0,0,0,0|2,0,0]=4 445 B15R1.8274 CC(C)CN(C)Cc1cccc(c1O)Br AIFCHEM-5722291171 [0,2,0,0,0,0|2,0,0]=4 446 B15R1.8274 CC(C)CN(C)Cc1cccc(c1O)F AIFCHEM-5739151961 [0,2,0,0,0,0|2,0,0]=4 447 B15R1.8274 CC(C)CN(C)Cc1cccc(c1O)I AIFCHEM-5782328853 [0,2,0,0,0,0|2,0,0]=4 448 B15R1.8274 CC(C)CN(C)Cc1cccc(c1O)O AIFCHEM-5768475905 [0,2,0,0,0,0|2,0,0]=4 449 B15R1.8274 CC(C)NC(=O)Cc1cccc(c1Cl)Cl AIFCHEM-94536371602 [0,2,0,0,0,0|1,0,0]=3 450 B15R1.8274 Cc1cccc(c1Br)CC(=O)NC(C)C AIFCHEM-94520547388 [0,2,0,0,0,0|1,0,0]=3 451 B15R1.8274 Cc1cccc(c1F)NC(=O)CC(C)C AIFCHEM-6122401195 [0,2,0,0,0,0|1,0,0]=3 452 B15R1.8274 Cc1cccc(c1O)NC(=O)CC(C)O AIFCHEM-94535819755 [0,2,0,0,0,0|2,0,0]=4 453 B15R1.8274 Cc1cccc(c1O)NC(=O)C[C@@H](C)O AIFCHEM-94535822117 [0,2,0,0,0,0|2,0,0]=4 454 B15R1.8274 Cc1cccc(c1O)NC(=O)C[C@H](C)O AIFCHEM-94535822056 [0,2,0,0,0,0|2,0,0]=4 455 B15R1.8274 Cc1nccc(c1F)NC(=O)CC(C)C AIFCHEM-6226486764 [0,2,0,0,0,0|2,0,0]=4 456 B15R1.8287 CC(C)CC(=O)Nc1c(cccc1F)F AIFCHEM-5989371476 [0,2,0,0,0,0|1,0,0]=3 457 B15R1.8287 CC(C)CN(C)Cc1c(cccc1Br)O AIFCHEM-5768389531 [0,2,0,0,0,0|2,0,0]=4 458 B15R1.8287 CC(C)CN(C)Cc1c(cccc1I)O AIFCHEM-5710625064 [0,2,0,0,0,0|2,0,0]=4 459 B15R1.8287 CC(C)NC(=O)Cc1c(cccc1Cl)F AIFCHEM-94520548546 [0,2,0,0,0,0|1,0,0]=3 460 B15R1.8287 Cc1cccc(c1NC(=O)CC(C)C)Br AIFCHEM-5914744000 [0,2,0,0,0,0|1,0,0]=3 461 B15R1.8426 CC(C)CC(=O)Nc1ccc(cc1F)F AIFCHEM-6025538746 [0,2,0,0,0,0|1,0,0]=3 462 B15R1.8426 CC(C)CN(C)Cc1ccc(cc1F)Cl AIFCHEM-5722447216 [0,2,0,0,0,0|2,0,0]=4 463 B15R1.8426 CC(C)CN(C)Cc1ccc(cc1F)F AIFCHEM-94572983871 [0,2,0,0,0,0|2,0,0]=4 464 B15R1.8426 CC(C)CN(C)Cc1ccc(cc1O)O AIFCHEM-5736355567 [0,2,0,0,0,0|2,0,0]=4 465 B15R1.8426 CC(C)NC(=O)Cc1ccc(cc1Cl)F AIFCHEM-94520545975 [0,2,0,0,0,0|1,0,0]=3 466 B15R1.8426 CC(C)NC(=O)Cc1ccc(cc1F)O AIFCHEM-94520550661 [0,2,0,0,0,0|1,0,0]=3 467 B15R1.8426 CC(C)NC(=O)Cc1ccc(cc1O)Br AIFCHEM-94520544338 [0,2,0,0,0,0|1,0,0]=3 468 B15R1.8426 CN(C)CC(=O)Nc1ccc(cc1O)Br AIFCHEM-94594498053 [0,2,0,0,0,0|2,0,0]=4 469 B15R1.8426 Cc1ccc(c(c1)C)NC(=O)CC(C)C AIFCHEM-94585838543 [0,2,0,0,0,0|1,0,0]=3 470 B15R1.8426 Cc1ccc(c(c1)C)NC(=O)CC(C)O AIFCHEM-94585837132 [0,2,0,0,0,0|2,0,0]=4 471 B15R1.8426 Cc1ccc(c(c1)C)NC(=O)C[C@@H](C)O AIFCHEM-94585839494 [0,2,0,0,0,0|2,0,0]=4 472 B15R1.8426 Cc1ccc(c(c1)C)NC(=O)C[C@H](C)O AIFCHEM-94585839433 [0,2,0,0,0,0|2,0,0]=4 473 B15R1.8426 Cc1ccc(c(c1)F)CC(=O)NC(C)C AIFCHEM-94520549484 [0,2,0,0,0,0|1,0,0]=3 474 B15R1.8426 Cc1ccc(c(c1)I)NC(=O)CC(C)C AIFCHEM-5920748604 [0,2,0,0,0,0|1,0,0]=3 475 B15R1.8439 CC(C)CC(=O)Nc1cc(c[nH]c1=O)Cl AIFCHEM-6052358366 [0,2,0,0,0,0|2,0,0]=4 476 B15R1.8439 CC(C)CC(=O)Nc1cc(ccc1F)F AIFCHEM-5764461201 [0,2,0,0,0,0|1,0,0]=3 477 B15R1.8439 CC(C)CN(C)Cc1cc(ccc1Cl)Br AIFCHEM-5710433436 [0,2,0,0,0,0|2,0,0]=4 478 B15R1.8439 CC(C)CN(C)Cc1cc(ccc1O)Br AIFCHEM-94572975452 [0,2,0,0,0,0|2,0,0]=4 479 B15R1.8439 CC(C)CN(C)Cc1cc(ccc1O)Cl AIFCHEM-94572980393 [0,2,0,0,0,0|2,0,0]=4 480 B15R1.8439 CC(C)CN(C)Cc1cc(ccc1O)F AIFCHEM-94572974161 [0,2,0,0,0,0|2,0,0]=4 481 B15R1.8439 CC(C)CN(C)Cc1cc(ccc1O)I AIFCHEM-5736588742 [0,2,0,0,0,0|2,0,0]=4 482 B15R1.8439 CC(C)NC(=O)Cc1cc(ccc1Br)Cl AIFCHEM-94520551303 [0,2,0,0,0,0|1,0,0]=3 483 B15R1.8439 CC(O)CC(=O)Nc1cc(ccc1O)O AIFCHEM-94523918766 [0,2,0,0,0,0|2,0,0]=4 484 B15R1.8439 C[C@@H](O)CC(=O)Nc1cc(ccc1O)O AIFCHEM-94523921128 [0,2,0,0,0,0|2,0,0]=4 485 B15R1.8439 C[C@H](O)CC(=O)Nc1cc(ccc1O)O AIFCHEM-94523921067 [0,2,0,0,0,0|2,0,0]=4 486 B15R1.8439 Cc1ccc(c(c1)CC(=O)NC(C)C)C AIFCHEM-94520544779 [0,2,0,0,0,0|1,0,0]=3 487 B15R1.8439 Cc1ccc(c(c1)CN(C)CC(C)C)C AIFCHEM-5739255203 [0,2,0,0,0,0|2,0,0]=4 488 B15R1.8439 Cc1ccc(c(c1)CN(C)CC(C)C)Cl AIFCHEM-5739131708 [0,2,0,0,0,0|2,0,0]=4 489 B15R1.8439 Cc1ccc(cc1CC(=O)NC(C)C)F AIFCHEM-94520547560 [0,2,0,0,0,0|1,0,0]=3 490 B15R1.8439 Cc1ccc(cc1NC(=O)CC(C)C)F AIFCHEM-6238051435 [0,2,0,0,0,0|1,0,0]=3 491 B15R1.502 CC(C(=O)N(C)C(C)C)c1ccccc1 AIFCHEM-94547948157 [0,2,0,0,0,0|1,0,0]=3 492 B15R1.502 CC(C(=O)N(C)c1ccccc1)N(C)C AIFCHEM-94581913514 [0,2,0,0,0,0|2,0,0]=4 493 B15R1.502 CC(C)C(C)C(=O)N(C)c1ccncc1 AIFCHEM-5803640791 [0,2,0,0,0,0|2,0,0]=4 494 B15R1.502 CC(C)N(C)C(=O)[C@@H](C)c1ccccc1 AIFCHEM-94547950100 [0,2,0,0,0,0|1,0,0]=3 495 B15R1.502 CC(C)N(C)C(=O)[C@H](C)c1ccccc1 AIFCHEM-94547950101 [0,2,0,0,0,0|1,0,0]=3 496 B15R1.502 C[C@@H](C(=O)N(C)c1ccccc1)N(C)C AIFCHEM-94545186701 [0,2,0,0,0,0|2,0,0]=4 497 B15R1.502 C[C@H](C(=O)N(C)c1ccccc1)N(C)C AIFCHEM-94545184429 [0,2,0,0,0,0|2,0,0]=4 498 B15R1.880 CC(C)CN(C)C(C)c1ccc(cc1)F AIFCHEM-94572982413 [0,2,0,0,0,0|2,0,0]=4 499 B15R1.880 CC(C)NC(=O)C(C)c1ccc(cc1)Cl AIFCHEM-94520552275 [0,2,0,0,0,0|1,0,0]=3 500 B15R1.880 CC(C)NC(=O)C(O)c1ccc(cc1)F AIFCHEM-94520548678 [0,2,0,0,0,0|1,0,0]=3 501 B15R1.880 CC(C)NC(=O)[C@@H](O)c1ccc(cc1)F AIFCHEM-94520549561 [0,2,0,0,0,0|1,0,0]=3 502 B15R1.880 CC(C)NC(=O)[C@H](O)c1ccc(cc1)F AIFCHEM-94520548083 [0,2,0,0,0,0|1,0,0]=3 503 B15R1.880 CC(O)CC(=O)N(C)c1ccc(cc1)O AIFCHEM-94520573790 [0,2,0,0,0,0|2,0,0]=4 504 B15R1.880 C[C@@H](O)CC(=O)N(C)c1ccc(cc1)O AIFCHEM-94520576152 [0,2,0,0,0,0|2,0,0]=4 505 B15R1.880 C[C@H](O)CC(=O)N(C)c1ccc(cc1)O AIFCHEM-94520576091 [0,2,0,0,0,0|2,0,0]=4 506 B15R1.880 Cc1ccc(cc1)C(O)C(=O)NC(C)C AIFCHEM-94520546176 [0,2,0,0,0,0|1,0,0]=3 507 B15R1.880 Cc1ccc(cc1)[C@@H](O)C(=O)NC(C)C AIFCHEM-94520547999 [0,2,0,0,0,0|1,0,0]=3 508 B15R1.950 CC(CF)NC(=O)C(O)c1ccccc1 AIFCHEM-6113526089 [0,2,0,0,0,0|1,0,0]=3 509 B15R1.950 CCC(C)CC(=O)N(C)c1ccccc1 AIFCHEM-94545182219 [0,2,0,0,0,0|1,0,0]=3 510 B15R1.950 CC[C@H](C)CC(=O)N(C)c1ccccc1 AIFCHEM-94545184827 [0,2,0,0,0,0|1,0,0]=3 511 B15R1.950 C[C@@H](CF)NC(=O)C(O)c1ccccc1 AIFCHEM-6055712223 [0,2,0,0,0,0|1,0,0]=3 512 B15R1.3977 CN(C(=O)CC(C)(C)Cl)c1ccncc1 AIFCHEM-94604513013 [0,2,0,0,0,0|2,0,0]=4 513 B15R1.8271 CC(C)CC(=O)N(C)c1cncc(c1)Br AIFCHEM-5785516817 [0,2,0,0,0,0|2,0,0]=4 514 B15R1.8271 CC(C)NC(=O)C(C)c1cccc(c1)Br AIFCHEM-94520549574 [0,2,0,0,0,0|1,0,0]=3 515 B15R1.8271 CC(C)NC(=O)[C@@H](C)c1cccc(c1)Br AIFCHEM-94520543625 [0,2,0,0,0,0|1,0,0]=3 516 B15R1.8271 CC(O)CC(=O)N(C)c1cccc(c1)Br AIFCHEM-94597180179 [0,2,0,0,0,0|2,0,0]=4 517 B15R1.8271 C[C@@H](O)CC(=O)N(C)c1cccc(c1)Br AIFCHEM-94597182541 [0,2,0,0,0,0|2,0,0]=4 518 B15R1.8271 C[C@H](O)CC(=O)N(C)c1cccc(c1)Br AIFCHEM-94597182480 [0,2,0,0,0,0|2,0,0]=4 519 B15R1.12173 CC(C)NC(=O)C(C)(C)c1ccccc1 AIFCHEM-94520551332 [0,2,0,0,0,0|1,0,0]=3 520 B15R1.12173 CC(C)NC(=O)C(C)(C)c1cccnc1 AIFCHEM-94520545776 [0,2,0,0,0,0|2,0,0]=4 521 B15R1.910 CC(C(=O)Nc1ccc(cc1)Br)N(C)C AIFCHEM-94581914133 [0,2,0,0,0,0|2,0,0]=4 522 B15R1.910 CC(C)C(C)C(=O)Nc1ccc(cc1)Cl AIFCHEM-6069035248 [0,2,0,0,0,0|1,0,0]=3 523 B15R1.910 CC(C)C(C)C(=O)Nc1ccc(cc1)O AIFCHEM-94574885355 [0,2,0,0,0,0|1,0,0]=3 524 B15R1.910 CC(C)C(C)N(C)Cc1ccc(cc1)Cl AIFCHEM-5605436632 [0,2,0,0,0,0|2,0,0]=4 525 B15R1.910 CC(C)N(C)C(=O)Cc1ccc(cc1)F AIFCHEM-94547947728 [0,2,0,0,0,0|1,0,0]=3 526 B15R1.910 CC(C)N(C)C(=O)Cc1ccc(cc1)I AIFCHEM-94547944975 [0,2,0,0,0,0|1,0,0]=3 527 B15R1.910 C[C@@H](C(=O)Nc1ccc(cc1)Br)N(C)C AIFCHEM-94608725229 [0,2,0,0,0,0|2,0,0]=4 528 B15R1.910 C[C@H](C(=O)Nc1ccc(cc1)Br)N(C)C AIFCHEM-94608722957 [0,2,0,0,0,0|2,0,0]=4 529 B15R1.910 Cc1ccc(cc1)NC(=O)C(C)C(C)C AIFCHEM-94584233258 [0,2,0,0,0,0|1,0,0]=3 530 B15R1.910 Cc1ccc(cc1)NC(=O)C(C)N(C)C AIFCHEM-94584234649 [0,2,0,0,0,0|2,0,0]=4 531 B15R1.910 Cc1ccc(cc1)NC(=O)C(O)C(C)C AIFCHEM-94547764229 [0,2,0,0,0,0|1,0,0]=3 532 B15R1.910 Cc1ccc(cc1)NC(=O)[C@@H](C)N(C)C AIFCHEM-94547760953 [0,2,0,0,0,0|2,0,0]=4 533 B15R1.910 Cc1ccc(cc1)NC(=O)[C@@H](O)C(C)C AIFCHEM-94547761374 [0,2,0,0,0,0|1,0,0]=3 534 B15R1.910 Cc1ccc(cc1)NC(=O)[C@H](C)N(C)C AIFCHEM-94584235947 [0,2,0,0,0,0|2,0,0]=4 535 B15R1.910 Cc1ccc(cc1)NC(=O)[C@H](O)C(C)C AIFCHEM-94584234097 [0,2,0,0,0,0|1,0,0]=3 536 B15R1.973 CCC(C)N(C)C(=O)Cc1cccnc1 AIFCHEM-94529328447 [0,2,0,0,0,0|2,0,0]=4 537 B15R1.8301 CC(C)C(C)C(=O)Nc1cncc(c1)Cl AIFCHEM-5673818794 [0,2,0,0,0,0|2,0,0]=4 538 B15R1.8301 CC(C)C(C)N(C)Cc1cccc(c1)Br AIFCHEM-5663974407 [0,2,0,0,0,0|2,0,0]=4 539 B15R1.8301 CC(C)C(C)N(C)Cc1cccc(c1)F AIFCHEM-94550001301 [0,2,0,0,0,0|2,0,0]=4 540 B15R1.8301 CC(C)C(C)N(C)Cc1cccc(c1)O AIFCHEM-5605436630 [0,2,0,0,0,0|2,0,0]=4 541 B15R1.8301 CC(C)C(O)C(=O)Nc1cccc(c1)Br AIFCHEM-94552710368 [0,2,0,0,0,0|1,0,0]=3 542 B15R1.8301 CC(C)C(O)C(=O)Nc1cccc(c1)F AIFCHEM-94579361040 [0,2,0,0,0,0|1,0,0]=3 543 B15R1.8301 CC(C)C(O)C(=O)Nc1cccc(c1)O AIFCHEM-94542289486 [0,2,0,0,0,0|1,0,0]=3 544 B15R1.8301 CC(C)C(O)C(=O)Nc1ccnc(c1)O AIFCHEM-94552271505 [0,2,0,0,0,0|2,0,0]=4 545 B15R1.8301 CC(C)N(C)C(=O)Cc1ccnc(c1)Br AIFCHEM-94547945086 [0,2,0,0,0,0|2,0,0]=4 546 B15R1.8301 CC(C)N(C)C(=O)Cc1cncc(c1)Br AIFCHEM-94547947653 [0,2,0,0,0,0|2,0,0]=4 547 B15R1.8301 CC(C)N(C)C(=O)Cc1cncc(c1)F AIFCHEM-94547947527 [0,2,0,0,0,0|2,0,0]=4 548 B15R1.8301 CC(C)[C@@H](O)C(=O)Nc1cccc(c1)Br AIFCHEM-94552704734 [0,2,0,0,0,0|1,0,0]=3 549 B15R1.8301 CC(C)[C@@H](O)C(=O)Nc1cccc(c1)F AIFCHEM-94579358186 [0,2,0,0,0,0|1,0,0]=3 550 B15R1.8301 CC(C)[C@@H](O)C(=O)Nc1cccc(c1)O AIFCHEM-94552455805 [0,2,0,0,0,0|1,0,0]=3 551 B15R1.8301 CC(C)[C@@H](O)C(=O)Nc1ccnc(c1)O AIFCHEM-94552268651 [0,2,0,0,0,0|2,0,0]=4 552 B15R1.8301 CC(C)[C@H](O)C(=O)Nc1cccc(c1)Br AIFCHEM-94552704733 [0,2,0,0,0,0|1,0,0]=3 553 B15R1.8301 CC(C)[C@H](O)C(=O)Nc1cccc(c1)F AIFCHEM-94579358185 [0,2,0,0,0,0|1,0,0]=3 554 B15R1.8301 CC(C)[C@H](O)C(=O)Nc1cccc(c1)O AIFCHEM-94542286631 [0,2,0,0,0,0|1,0,0]=3 555 B15R1.8301 C[C@@H](C(=O)Nc1cccc(c1)I)N(C)C AIFCHEM-5642694154 [0,2,0,0,0,0|2,0,0]=4 556 B15R1.8301 C[C@H](C(=O)Nc1cccc(c1)I)N(C)C AIFCHEM-5642956131 [0,2,0,0,0,0|2,0,0]=4 557 B15R1.8301 Cc1cccc(c1)CN(C)C(C)C(C)C AIFCHEM-94550002221 [0,2,0,0,0,0|2,0,0]=4 558 B15R1.8301 Cc1cccc(c1)NC(=O)C(O)C(C)C AIFCHEM-94565755341 [0,2,0,0,0,0|1,0,0]=3 559 B15R1.8301 Cc1cccc(c1)NC(=O)[C@@H](O)C(C)C AIFCHEM-94565752486 [0,2,0,0,0,0|1,0,0]=3 560 B15R1.8301 Cc1cccc(c1)NC(=O)[C@H](O)C(C)C AIFCHEM-94565752487 [0,2,0,0,0,0|1,0,0]=3 561 B15R1.9101 CC(C)(C)C(O)C(=O)Nc1cccnc1 AIFCHEM-94566315104 [0,2,0,0,0,0|2,0,0]=4 562 B15R1.9101 CC(C)(C)[C@@H](O)C(=O)Nc1cccnc1 AIFCHEM-94531012034 [0,2,0,0,0,0|2,0,0]=4 563 B15R1.9101 CC(C)(C)[C@H](O)C(=O)Nc1cccnc1 AIFCHEM-94531011902 [0,2,0,0,0,0|2,0,0]=4 564 B15R1.9101 CN(C(=O)Cc1cccnc1)C(C)(C)C AIFCHEM-5794002483 [0,2,0,0,0,0|2,0,0]=4 565 B15R1.339 CCC(C)(C)NC(=O)Cc1cccnc1 AIFCHEM-94529326852 [0,2,0,0,0,0|2,0,0]=4 566 B15R1.649 CCN(Cc1ccccc1)CC(C)(C)O AIFCHEM-94537425586 [0,2,0,0,0,0|2,0,0]=4 567 B15R1.913 CC(C)(Br)CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94607809714 [0,2,0,0,0,0|1,0,0]=3 568 B15R1.913 CC(C)(Br)CC(=O)Nc1ccc(cn1)Cl AIFCHEM-94607804778 [0,2,0,0,0,0|2,0,0]=4 569 B15R1.913 CC(C)(Br)CC(=O)Nc1ccc(cn1)O AIFCHEM-94607813696 [0,2,0,0,0,0|2,0,0]=4 570 B15R1.913 CC(C)(C)CC(=O)Nc1ccc(cc1)F AIFCHEM-94552022507 [0,2,0,0,0,0|1,0,0]=3 571 B15R1.913 CC(C)(C)NC(=O)Cc1ccc(cn1)O AIFCHEM-94589410171 [0,2,0,0,0,0|2,0,0]=4 572 B15R1.913 CC(C)(Cl)CC(=O)Nc1ccc(=O)[nH]c1 AIFCHEM-94595384336 [0,2,0,0,0,0|2,0,0]=4 573 B15R1.913 CC(C)(O)CC(=O)Nc1ccc(=O)[nH]c1 AIFCHEM-94595384459 [0,2,0,0,0,0|2,0,0]=4 574 B15R1.913 CN(Cc1ccc(cc1)Br)CC(C)(C)C AIFCHEM-6098674380 [0,2,0,0,0,0|2,0,0]=4 575 B15R1.8303 CC(C)(Br)CC(=O)Nc1cc(ccn1)I AIFCHEM-94607813652 [0,2,0,0,0,0|2,0,0]=4 576 B15R1.8303 CC(C)(Br)CC(=O)Nc1cncc(c1)Br AIFCHEM-94607807101 [0,2,0,0,0,0|2,0,0]=4 577 B15R1.8303 CC(C)(Br)CC(=O)Nc1cncc(c1)I AIFCHEM-94607810804 [0,2,0,0,0,0|2,0,0]=4 578 B15R1.8303 CC(C)(C)CC(=O)Nc1cc(ccn1)O AIFCHEM-94535011431 [0,2,0,0,0,0|2,0,0]=4 579 B15R1.8303 CC(C)(C)CC(=O)Nc1cccc(c1)Cl AIFCHEM-94552608319 [0,2,0,0,0,0|1,0,0]=3 580 B15R1.8303 CC(C)(C)NC(=O)Cc1cccc(c1)O AIFCHEM-94589416423 [0,2,0,0,0,0|1,0,0]=3 581 B15R1.8303 CC(C)(C)NC(=O)Cc1cccc(n1)Cl AIFCHEM-94527130009 [0,2,0,0,0,0|2,0,0]=4 582 B15R1.8303 CC(C)(Cl)CC(=O)Nc1cccc(c1)Br AIFCHEM-94604522013 [0,2,0,0,0,0|1,0,0]=3 583 B15R1.8303 CC(C)(Cl)CC(=O)Nc1cccc(c1)Cl AIFCHEM-94552615127 [0,2,0,0,0,0|1,0,0]=3 584 B15R1.8303 CC(C)(Cl)CC(=O)Nc1cccc(c1)O AIFCHEM-94604522897 [0,2,0,0,0,0|1,0,0]=3 585 B15R1.8303 CC(C)(Cl)CC(=O)Nc1cccc(n1)O AIFCHEM-94555801265 [0,2,0,0,0,0|2,0,0]=4 586 B15R1.8303 CN(Cc1cccc(c1)O)CC(C)(C)C AIFCHEM-6171945767 [0,2,0,0,0,0|2,0,0]=4 587 B15R1.8303 Cc1cccc(c1)NC(=O)CC(C)(C)O AIFCHEM-94565756858 [0,2,0,0,0,0|1,0,0]=3 588 B15R1.656 CCN(Cc1ccc(cc1)Cl)CC(C)C AIFCHEM-6086328592 [0,2,0,0,0,0|2,0,0]=4 589 B15R1.656 CCN(Cc1ccc(cc1)F)CC(C)C AIFCHEM-6011166184 [0,2,0,0,0,0|2,0,0]=4 590 B15R1.656 CCN(Cc1ccc(cc1)I)CC(C)C AIFCHEM-6086298124 [0,2,0,0,0,0|2,0,0]=4 591 B15R1.3565 CC(=O)N(Cc1ccccn1)CC(C)C AIFCHEM-94685539121 [0,2,0,0,0,0|2,0,0]=4 592 B15R1.3565 CC(=O)N(Cc1cccnc1)CC(C)C AIFCHEM-35985317095 [0,2,0,0,0,0|2,0,0]=4 593 B15R1.3565 CC(=O)N(Cc1ccncc1)CC(C)C AIFCHEM-35985290303 [0,2,0,0,0,0|2,0,0]=4 594 B15R1.204 CC(C)NC(=O)Cc1ccc(cc1)CO AIFCHEM-94520550907 [0,2,0,0,0,0|1,0,0]=3 595 B15R1.204 CCc1ccc(cc1)CC(=O)NC(C)C AIFCHEM-94520545113 [0,2,0,0,0,0|1,0,0]=3 596 B15R1.204 COc1ccc(cc1)NC(=O)CC(C)O AIFCHEM-94577710940 [0,2,0,0,0,0|2,0,0]=4 597 B15R1.204 COc1ccc(cc1)NC(=O)C[C@@H](C)O AIFCHEM-94577713302 [0,2,0,0,0,0|2,0,0]=4 598 B15R1.204 COc1ccc(cc1)NC(=O)C[C@H](C)O AIFCHEM-94577713241 [0,2,0,0,0,0|2,0,0]=4 599 B15R1.204 CSc1ccc(cn1)NC(=O)CC(C)C AIFCHEM-5879517829 [0,2,0,0,0,0|2,0,0]=4 600 B15R1.883 CC(C)CC(=O)Nc1ccc(c(c1)Br)I AIFCHEM-6270033289 [0,2,0,0,0,0|1,0,0]=3 601 B15R1.883 CC(C)CC(=O)Nc1ccc(c(c1)F)Cl AIFCHEM-6255931052 [0,2,0,0,0,0|1,0,0]=3 602 B15R1.883 CC(C)CC(=O)Nc1ccc(c(c1)F)F AIFCHEM-94519577083 [0,2,0,0,0,0|1,0,0]=3 603 B15R1.883 CC(C)CN(C)Cc1ccc(c(c1)Cl)F AIFCHEM-94572980322 [0,2,0,0,0,0|2,0,0]=4 604 B15R1.883 CC(C)CN(C)Cc1ccc(c(c1)O)Br AIFCHEM-5768424575 [0,2,0,0,0,0|2,0,0]=4 605 B15R1.883 CC(C)CN(C)Cc1ccc(c(c1)O)O AIFCHEM-94572970863 [0,2,0,0,0,0|2,0,0]=4 606 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)Cl)F AIFCHEM-94520550744 [0,2,0,0,0,0|1,0,0]=3 607 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)O)O AIFCHEM-94520543092 [0,2,0,0,0,0|1,0,0]=3 608 B15R1.883 CN(C)CC(=O)Nc1ccc(c(c1)I)F AIFCHEM-94594500483 [0,2,0,0,0,0|2,0,0]=4 609 B15R1.883 Cc1cc(ccc1F)CN(C)CC(C)C AIFCHEM-5710923337 [0,2,0,0,0,0|2,0,0]=4 610 B15R1.883 Cc1cc(ccc1F)NC(=O)CC(C)C AIFCHEM-5830673123 [0,2,0,0,0,0|1,0,0]=3 611 B15R1.883 Cc1cc(ccc1I)NC(=O)CC(C)C AIFCHEM-5927101566 [0,2,0,0,0,0|1,0,0]=3 612 B15R1.883 Cc1cc(ccc1O)CN(C)CC(C)C AIFCHEM-5739132610 [0,2,0,0,0,0|2,0,0]=4 613 B15R1.883 Cc1cc(ccc1O)NC(=O)CC(C)C AIFCHEM-94527210965 [0,2,0,0,0,0|1,0,0]=3 614 B15R1.883 Cc1ccc(cc1C)NC(=O)CC(C)C AIFCHEM-5859984721 [0,2,0,0,0,0|1,0,0]=3 615 B15R1.883 Cc1ccc(cc1F)CC(=O)NC(C)C AIFCHEM-94520547559 [0,2,0,0,0,0|1,0,0]=3 616 B15R1.883 Cc1ccc(cc1I)NC(=O)CC(C)C AIFCHEM-5784218057 [0,2,0,0,0,0|1,0,0]=3 617 B15R1.883 Cc1ccc(nc1C)NC(=O)CC(C)C AIFCHEM-5662629341 [0,2,0,0,0,0|2,0,0]=4 618 B15R1.883 Cc1nc(ccc1Cl)NC(=O)CC(C)C AIFCHEM-5639925566 [0,2,0,0,0,0|2,0,0]=4 619 B15R1.981 C#CC(C)NC(=O)Cc1ccc(cc1)F AIFCHEM-5755080982 [0,2,0,0,0,0|1,0,1]=4 620 B15R1.981 C#C[C@H](C)NC(=O)Cc1ccc(cc1)F AIFCHEM-6073817638 [0,2,0,0,0,0|1,0,1]=4 621 B15R1.981 CC(CF)NC(=O)Cn1ccc(=O)cc1 AIFCHEM-6109632135 [0,2,0,0,0,0|2,0,0]=4 622 B15R1.981 CCC(C)CN(C)Cc1ccc(cc1)C AIFCHEM-5605089933 [0,2,0,0,0,0|2,0,0]=4 623 B15R1.981 CCC(C)CN(C)Cc1ccc(cc1)O AIFCHEM-5735497377 [0,2,0,0,0,0|2,0,0]=4 624 B15R1.981 CC[C@H](C)CC(=O)Nc1ccc(nc1)C AIFCHEM-6008358997 [0,2,0,0,0,0|2,0,0]=4 625 B15R1.477 CCC(CC)NC(=O)Cc1ccncc1 AIFCHEM-5702112441 [0,2,0,0,0,0|2,0,0]=4 626 B15R1.477 COC(CC(=O)Nc1ccccn1)OC AIFCHEM-94586370086 [0,2,0,0,0,0|2,0,0]=4 627 B15R1.477 COC(CN(C)Cc1ccccc1)OC AIFCHEM-6201949668 [0,2,0,0,0,0|2,0,0]=4 628 B15R1.809 CCCC(C)NC(=O)Cc1ccccn1 AIFCHEM-94560478938 [0,2,0,0,0,0|2,0,0]=4 629 B15R1.809 CCCC(C)NC(=O)Cc1ccncc1 AIFCHEM-94560483872 [0,2,0,0,0,0|2,0,0]=4 630 B15R1.809 CCC[C@@H](C)NC(=O)Cc1ccccn1 AIFCHEM-94576227043 [0,2,0,0,0,0|2,0,0]=4 631 B15R1.809 CCC[C@@H](C)NC(=O)Cc1ccncc1 AIFCHEM-94603098196 [0,2,0,0,0,0|2,0,0]=4 632 B15R1.809 CCC[C@H](C)NC(=O)Cc1ccccn1 AIFCHEM-94576232866 [0,2,0,0,0,0|2,0,0]=4 633 B15R1.809 CCC[C@H](C)NC(=O)Cc1ccncc1 AIFCHEM-94603104019 [0,2,0,0,0,0|2,0,0]=4 634 B15R1.809 CCSC(C)CC(=O)Nc1ccccn1 AIFCHEM-5968947461 [0,2,0,0,0,0|2,0,0]=4 635 B15R1.809 COCC(C)NC(=O)Cc1ccccn1 AIFCHEM-94576234834 [0,2,0,0,0,0|2,0,0]=4 636 B15R1.809 COCC(C)NC(=O)Cc1cccnc1 AIFCHEM-94529324897 [0,2,0,0,0,0|2,0,0]=4 637 B15R1.809 COC[C@@H](C)NC(=O)Cc1ccccn1 AIFCHEM-5773952008 [0,2,0,0,0,0|2,0,0]=4 638 B15R1.809 COC[C@@H](C)NC(=O)Cc1cccnc1 AIFCHEM-94601274740 [0,2,0,0,0,0|2,0,0]=4 639 B15R1.809 COC[C@H](C)NC(=O)Cc1ccccn1 AIFCHEM-5685102735 [0,2,0,0,0,0|2,0,0]=4 640 B15R1.809 COC[C@H](C)NC(=O)Cc1cccnc1 AIFCHEM-94572809439 [0,2,0,0,0,0|2,0,0]=4 641 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccncc1 AIFCHEM-6027521130 [0,2,0,0,0,0|2,0,0]=4 642 B15R1.809 C[C@H](CC#N)NC(=O)Cc1ccncc1 AIFCHEM-6246666509 [0,2,0,0,0,0|2,0,0]=4 643 B15R1.982 C#CC(C)NC(=O)Cc1cccc(c1)C AIFCHEM-5754710183 [0,2,0,0,0,0|1,0,1]=4 644 B15R1.982 C#C[C@H](C)NC(=O)Cc1cccc(c1)C AIFCHEM-6072843854 [0,2,0,0,0,0|1,0,1]=4 645 B15R1.982 CC(CF)NC(=O)Cc1cccc(c1)F AIFCHEM-6176284675 [0,2,0,0,0,0|1,0,0]=3 646 B15R1.982 CC(CF)NC(=O)Cc1cncc(c1)F AIFCHEM-6127914580 [0,2,0,0,0,0|2,0,0]=4 647 B15R1.982 CCC(C)CC(=O)Nc1cccc(c1)Br AIFCHEM-94552699602 [0,2,0,0,0,0|1,0,0]=3 648 B15R1.982 CCC(C)CC(=O)Nc1cncc(c1)C AIFCHEM-94524190041 [0,2,0,0,0,0|2,0,0]=4 649 B15R1.982 CCC(C)CN(C)Cc1cccc(c1)Cl AIFCHEM-5789242369 [0,2,0,0,0,0|2,0,0]=4 650 B15R1.982 CC[C@H](C)CC(=O)Nc1cccc(c1)Br AIFCHEM-94552704690 [0,2,0,0,0,0|1,0,0]=3 651 B15R1.982 CC[C@H](C)CC(=O)Nc1cccc(c1)C AIFCHEM-6121675192 [0,2,0,0,0,0|1,0,0]=3 652 B15R1.982 CC[C@H](C)CC(=O)Nc1cncc(c1)C AIFCHEM-94524192649 [0,2,0,0,0,0|2,0,0]=4 653 B15R1.982 C[C@@H](CF)NC(=O)Cc1cccc(c1)F AIFCHEM-6055803714 [0,2,0,0,0,0|1,0,0]=3 654 B15R1.982 C[C@@H](CF)NC(=O)Cc1cncc(c1)F AIFCHEM-6082105767 [0,2,0,0,0,0|2,0,0]=4 655 B15R1.982 C[C@H](CF)NC(=O)Cc1cccc(c1)F AIFCHEM-6110673957 [0,2,0,0,0,0|1,0,0]=3 656 B15R1.982 C[C@H](CF)NC(=O)Cc1cncc(c1)F AIFCHEM-6169228563 [0,2,0,0,0,0|2,0,0]=4 657 B15R1.1624 C#Cc1cc(ccn1)NC(=O)CC(C)C AIFCHEM-6063319499 [0,2,0,0,0,0|2,0,0]=4 658 B15R1.1624 COc1cccc(c1)CC(=O)NC(C)C AIFCHEM-94520546027 [0,2,0,0,0,0|1,0,0]=3 659 B15R1.1624 COc1cccc(c1)NC(=O)CC(C)O AIFCHEM-94573857898 [0,2,0,0,0,0|2,0,0]=4 660 B15R1.1624 COc1cccc(c1)NC(=O)C[C@@H](C)O AIFCHEM-94573860260 [0,2,0,0,0,0|2,0,0]=4 661 B15R1.1624 COc1cccc(c1)NC(=O)C[C@H](C)O AIFCHEM-94573860199 [0,2,0,0,0,0|2,0,0]=4 662 B15R1.1624 CSc1cccc(c1)CN(C)CC(C)C AIFCHEM-5722489602 [0,2,0,0,0,0|2,0,0]=4 663 B15R1.1624 CSc1cccc(c1)NC(=O)CC(C)C AIFCHEM-94580162773 [0,2,0,0,0,0|1,0,0]=3 664 B15R1.5446 CC(C)NC(=O)Cc1cc(cc(c1)Br)F AIFCHEM-94520546600 [0,2,0,0,0,0|1,0,0]=3 665 B15R1.5446 Cc1cc(cc(c1)CN(C)CC(C)C)Cl AIFCHEM-5739180958 [0,2,0,0,0,0|2,0,0]=4 666 B15R1.5446 Cc1cc(cc(n1)NC(=O)CC(C)C)Br AIFCHEM-5783833702 [0,2,0,0,0,0|2,0,0]=4 667 B13R2.444 O=C(Nc1cccnc1)C2CC2 AIFCHEM-94531010905 [1,0,0,1,0,0|2,0,0]=4 668 B13R2.690 CN(CC1CC1)c2ccccc2 AIFCHEM-94545176794 [0,0,0,1,1,0|2,0,0]=4 669 B13R2.696 O=C(Cc1ccco1)NC2CC2 AIFCHEM-94573323710 [0,0,0,1,1,0|2,0,0]=4 670 B13R2.696 O=C(Cc1cccs1)NC2CC2 AIFCHEM-94573322349 [0,0,0,1,1,0|2,0,0]=4 671 B15R2.491 C[C@@H]1C[C@H]1NC(=O)Cc2ccncc2 AIFCHEM-94559019544 [0,0,0,1,0,1|1,0,0]=3 672 B15R2.596 CC1CC(C1)C(=O)Nc2ccccn2 AIFCHEM-5968895832 [0,0,0,1,0,1|2,0,0]=4 673 B15R2.596 CC1CN(C1)C(=O)Cc2ccncn2 AIFCHEM-5982460887 [0,0,0,1,0,1|2,0,0]=4 674 B15R2.596 O=C(Nc1ccccc1)C2CC(C2)O AIFCHEM-94552041848 [0,0,0,1,0,1|2,0,0]=4 675 B15R2.596 O=C(Nc1ccccc1)[C@H]2C[C@@H](C2)O AIFCHEM-94577030103 [0,0,0,1,0,1|2,0,0]=4 676 B15R2.596 O=C(Nc1ccccc1)[C@H]2C[C@H](C2)O AIFCHEM-94552045208 [0,0,0,1,0,1|2,0,0]=4 677 B15R2.993 CC(C)CN1c2ccccc2CC1C AIFCHEM-94572983761 [0,0,0,1,0,1|1,0,1]=4 678 B15R2.1256 O=C(Cc1cnccn1)NCC2CC2 AIFCHEM-5944467405 [0,0,0,1,0,1|2,0,0]=4 679 B15R2.1256 O=C(Cc1ncccn1)NCC2CC2 AIFCHEM-5974427592 [0,0,0,1,0,1|2,0,0]=4 680 B15R2.1660 CC(C)NCc1cc2ccccc2o1 AIFCHEM-94520540208 [0,0,0,1,0,1|0,0,2]=4 681 B15R2.1660 CC(C)NCc1cc2ccccc2s1 AIFCHEM-94520539797 [0,0,0,1,0,1|0,1,1]=4 682 B15R2.505 CC1CC1C(=O)NCc2ccccc2 AIFCHEM-94539156284 [0,0,0,1,0,1|0,0,0]=2 683 B15R2.505 CC1CC1C(=O)NCc2cnccn2 AIFCHEM-94604423814 [0,0,0,1,0,1|2,0,0]=4 684 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 AIFCHEM-5855539913 [0,0,0,1,0,1|0,0,0]=2 685 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2cnccn2 AIFCHEM-94547599762 [0,0,0,1,0,1|2,0,0]=4 686 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ncccn2 AIFCHEM-94601448259 [0,0,0,1,0,1|2,0,0]=4 687 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ccccc2 AIFCHEM-94554636908 [0,0,0,1,0,1|0,0,0]=2 688 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2cnccn2 AIFCHEM-94604421115 [0,0,0,1,0,1|2,0,0]=4 689 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ncccn2 AIFCHEM-94601443190 [0,0,0,1,0,1|2,0,0]=4 690 B15R2.505 O=C(NCc1ccccn1)C2CC2F AIFCHEM-5769952268 [0,0,0,1,0,1|2,0,0]=4 691 B15R2.505 O=C(NCc1ccccn1)[C@@H]2C[C@@H]2F AIFCHEM-5687774242 [0,0,0,1,0,1|2,0,0]=4 692 B15R2.505 O=C(NCc1ccccn1)[C@@H]2C[C@H]2F AIFCHEM-94593659020 [0,0,0,1,0,1|2,0,0]=4 693 B15R2.505 O=C(NCc1ccccn1)[C@H]2C[C@H]2F AIFCHEM-5746188055 [0,0,0,1,0,1|2,0,0]=4 694 B15R2.24494 O=C(C#Cc1ccccc1)NC2CC2 AIFCHEM-94573326393 [0,0,0,1,0,1|1,0,1]=4 695 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 AIFCHEM-6146410233 [0,0,0,1,0,1|1,0,0]=3 696 B15R2.305 CC1CCN(C1)Cc2ccccc2O AIFCHEM-94532457376 [0,1,0,1,0,0|2,0,0]=4 697 B15R2.305 C[C@@H]1CCN(C1)Cc2ccccc2O AIFCHEM-94532463025 [0,1,0,1,0,0|2,0,0]=4 698 B15R2.305 C[C@H]1CCN(C1)Cc2ccccc2O AIFCHEM-94532461489 [0,1,0,1,0,0|2,0,0]=4 699 B15R2.7439 CC1CC1C(=O)Nc2ccncc2Br AIFCHEM-5874850879 [0,1,0,1,0,0|2,0,0]=4 700 B15R2.7439 CC1CC1C(=O)Nc2ccncc2F AIFCHEM-5977821781 [0,1,0,1,0,0|2,0,0]=4 701 B15R2.7439 C[C@@H]1C[C@H]1C(=O)Nc2ccncc2Br AIFCHEM-5789615883 [0,1,0,1,0,0|2,0,0]=4 702 B15R2.7439 C[C@@H]1C[C@H]1C(=O)Nc2ccncc2F AIFCHEM-5929629694 [0,1,0,1,0,0|2,0,0]=4 703 B15R2.7439 C[C@H]1C[C@@H]1C(=O)Nc2ccncc2Br AIFCHEM-5789131400 [0,1,0,1,0,0|2,0,0]=4 704 B15R2.7439 C[C@H]1C[C@@H]1C(=O)Nc2ccncc2Cl AIFCHEM-6064186861 [0,1,0,1,0,0|2,0,0]=4 705 B15R2.7439 C[C@H]1C[C@@H]1C(=O)Nc2ccncc2F AIFCHEM-5910337920 [0,1,0,1,0,0|2,0,0]=4 706 B15R2.7439 O=C(Nc1ccccc1F)C2CC2F AIFCHEM-94582109428 [0,1,0,1,0,0|2,0,0]=4 707 B15R2.7439 O=C(Nc1ccccc1F)[C@@H]2C[C@@H]2F AIFCHEM-6062773710 [0,1,0,1,0,0|2,0,0]=4 708 B15R2.7439 O=C(Nc1ccccc1F)[C@@H]2C[C@H]2F AIFCHEM-6062666598 [0,1,0,1,0,0|2,0,0]=4 709 B15R2.7439 O=C(Nc1ccccc1F)[C@H]2C[C@@H]2F AIFCHEM-94582109693 [0,1,0,1,0,0|2,0,0]=4 710 B15R2.7439 O=C(Nc1ccccc1F)[C@H]2C[C@H]2F AIFCHEM-94596446151 [0,1,0,1,0,0|2,0,0]=4 711 B15R2.7460 CN(Cc1ccccc1I)CC2CC2 AIFCHEM-94594892330 [0,1,0,1,0,0|2,0,0]=4 712 B15R2.7460 CN(Cc1ccccc1O)CC2CC2 AIFCHEM-94532461566 [0,1,0,1,0,0|2,0,0]=4 713 B15R2.7460 O=C(CC1CC1)Nc2cccnc2O AIFCHEM-94551086394 [0,1,0,1,0,0|2,0,0]=4 714 B15R2.7460 O=C(CC1CC1)Nc2ccncc2O AIFCHEM-94608775849 [0,1,0,1,0,0|2,0,0]=4 715 B15R2.7460 O=C(Cc1ccccc1Cl)NC2CC2 AIFCHEM-94573323359 [0,1,0,1,0,0|1,0,0]=3 716 B15R2.7460 O=C(Cc1cccnc1Cl)NC2CC2 AIFCHEM-94573326217 [0,1,0,1,0,0|2,0,0]=4 717 B15R2.13461 CC(C)CN1Cc2cccc(c2C1)Cl AIFCHEM-94572986491 [0,1,0,1,0,0|2,0,0]=4 718 B15R2.13461 CC(C)CN1Cc2cccc(c2C1)O AIFCHEM-94572984168 [0,1,0,1,0,0|2,0,0]=4 719 B15R2.13461 Cc1cccc2c1CN(C2)CC(C)C AIFCHEM-94572977000 [0,1,0,1,0,0|2,0,0]=4 720 B15R2.14895 CC1(CN(C1)Cc2ccccc2I)C AIFCHEM-5725766298 [0,1,0,1,0,0|2,0,0]=4 721 B15R2.14895 CC1(CN(C1)Cc2ccccc2O)C AIFCHEM-94532470824 [0,1,0,1,0,0|2,0,0]=4 722 B15R2.16431 O=C(NC1CC1)C(O)c2ccccc2 AIFCHEM-6134079422 [0,1,0,1,0,0|1,0,0]=3 723 B15R2.16431 O=C(NC1CC1)[C@@H](O)c2ccccc2 AIFCHEM-94573321857 [0,1,0,1,0,0|1,0,0]=3 724 B15R2.16431 O=C(NC1CC1)[C@H](O)c2ccccc2 AIFCHEM-94573326184 [0,1,0,1,0,0|1,0,0]=3 725 B15R2.16454 CN(C(=O)Cc1ccncc1)C2CC2 AIFCHEM-5843708595 [0,1,0,1,0,0|2,0,0]=4 726 B15R2.1257 CC1(CC1)NC(=O)Cc2cccnc2 AIFCHEM-6135103432 [0,1,0,1,0,0|2,0,0]=4 727 B15R2.1546 CC1CC1C(=O)Nc2ccc(=O)[nH]c2 AIFCHEM-94595382065 [0,1,0,1,0,0|2,0,0]=4 728 B15R2.1546 CC1CC1C(=O)Nc2ccc(cc2)O AIFCHEM-94596163307 [0,1,0,1,0,0|1,0,0]=3 729 B15R2.1546 C[C@@H]1C[C@H]1C(=O)Nc2ccc(=O)[nH]c2 AIFCHEM-5999094517 [0,1,0,1,0,0|2,0,0]=4 730 B15R2.1546 C[C@@H]1C[C@H]1C(=O)Nc2ccc(cc2)O AIFCHEM-94574890541 [0,1,0,1,0,0|1,0,0]=3 731 B15R2.1546 C[C@H]1C[C@@H]1C(=O)Nc2ccc(=O)[nH]c2 AIFCHEM-5997726067 [0,1,0,1,0,0|2,0,0]=4 732 B15R2.1546 C[C@H]1C[C@@H]1C(=O)Nc2ccc(cc2)O AIFCHEM-94574885472 [0,1,0,1,0,0|1,0,0]=3 733 B15R2.1546 Cc1ccc(cc1)NC(=O)C2CC2F AIFCHEM-94584233653 [0,1,0,1,0,0|2,0,0]=4 734 B15R2.1546 Cc1ccc(cc1)NC(=O)[C@@H]2C[C@@H]2F AIFCHEM-94584231497 [0,1,0,1,0,0|2,0,0]=4 735 B15R2.1546 Cc1ccc(cc1)NC(=O)[C@@H]2C[C@H]2F AIFCHEM-94593660422 [0,1,0,1,0,0|2,0,0]=4 736 B15R2.1546 Cc1ccc(cc1)NC(=O)[C@H]2C[C@@H]2F AIFCHEM-94547761196 [0,1,0,1,0,0|2,0,0]=4 737 B15R2.1546 Cc1ccc(cc1)NC(=O)[C@H]2C[C@H]2F AIFCHEM-94547759884 [0,1,0,1,0,0|2,0,0]=4 738 B15R2.7252 CC(C)CN1Cc2ccc(cc2C1)O AIFCHEM-94572971162 [0,1,0,1,0,0|2,0,0]=4 739 B15R2.18927 CN(Cc1ccc(cc1)I)CC2CC2 AIFCHEM-5942983788 [0,1,0,1,0,0|2,0,0]=4 740 B15R2.18927 CN(Cc1ccc(cc1)O)CC2CC2 AIFCHEM-94594890229 [0,1,0,1,0,0|2,0,0]=4 741 B15R2.18927 Cc1ccc(cc1)CN(C)CC2CC2 AIFCHEM-5630399152 [0,1,0,1,0,0|2,0,0]=4 742 B15R2.18927 Cc1ccc(cc1)NC(=O)CC2CC2 AIFCHEM-94584237716 [0,1,0,1,0,0|1,0,0]=3 743 B15R2.18927 O=C(Cc1ccc(cc1)Cl)NC2CC2 AIFCHEM-6108776069 [0,1,0,1,0,0|1,0,0]=3 744 B15R2.18927 O=C(Cc1ccc(cn1)Br)NC2CC2 AIFCHEM-94573322361 [0,1,0,1,0,0|2,0,0]=4 745 B15R2.18927 O=C(Cc1ccc(cn1)Cl)NC2CC2 AIFCHEM-94573318964 [0,1,0,1,0,0|2,0,0]=4 746 B15R2.18927 O=C(Cn1ccc(=O)cc1)NC2CC2 AIFCHEM-6133208059 [0,1,0,1,0,0|2,0,0]=4 747 B15R2.19016 CC1(CN(C1)Cc2ccc(cc2)Cl)C AIFCHEM-5727210458 [0,1,0,1,0,0|2,0,0]=4 748 B15R2.7370 C[C@@H]1[C@@H]([C@H]1C(=O)Nc2ccccc2)C AIFCHEM-94552043748 [0,1,0,1,0,0|1,0,0]=3 749 B15R2.7370 C[C@@H]1[C@@H]([C@H]1C(=O)Nc2ccccn2)C AIFCHEM-94586368144 [0,1,0,1,0,0|2,0,0]=4 750 B15R2.16446 O=C(CC1COC1)Nc2ccccn2 AIFCHEM-94586364373 [0,1,0,1,0,0|2,0,0]=4 751 B15R2.16446 O=C(CN1CCC1)Nc2ccccc2 AIFCHEM-94552038739 [0,1,0,1,0,0|2,0,0]=4 752 B15R2.16446 O=C(Cc1ccccn1)NC2CCC2 AIFCHEM-94537771429 [0,1,0,1,0,0|2,0,0]=4 753 B15R2.16446 O=C(Cc1cccnc1)NC2CCC2 AIFCHEM-5738952893 [0,1,0,1,0,0|2,0,0]=4 754 B15R2.1115 CC1CCN(C1)Cc2cccc(c2)O AIFCHEM-5638303316 [0,1,0,1,0,0|2,0,0]=4 755 B15R2.1115 C[C@@H]1CCN(C1)Cc2cccc(c2)O AIFCHEM-5819608153 [0,1,0,1,0,0|2,0,0]=4 756 B15R2.1115 C[C@H]1CCN(C1)Cc2cccc(c2)O AIFCHEM-5609623927 [0,1,0,1,0,0|2,0,0]=4 757 B15R2.7145 CN(Cc1cccc(c1)Cl)CC2CC2 AIFCHEM-94594894146 [0,1,0,1,0,0|2,0,0]=4 758 B15R2.7145 CN(Cc1cccc(c1)F)CC2CC2 AIFCHEM-94594893425 [0,1,0,1,0,0|2,0,0]=4 759 B15R2.7145 CN(Cc1cccc(c1)I)CC2CC2 AIFCHEM-5897906141 [0,1,0,1,0,0|2,0,0]=4 760 B15R2.7145 Cc1ccnc(c1)NC(=O)CC2CC2 AIFCHEM-5801723147 [0,1,0,1,0,0|2,0,0]=4 761 B15R2.7145 O=C(CC1CC1)Nc2cc(ccn2)Br AIFCHEM-5896560890 [0,1,0,1,0,0|2,0,0]=4 762 B15R2.7145 O=C(Cc1cccc(c1)Br)NC2CC2 AIFCHEM-94573322254 [0,1,0,1,0,0|1,0,0]=3 763 B15R2.7145 O=C(Cc1cccc(c1)Cl)NC2CC2 AIFCHEM-6110147291 [0,1,0,1,0,0|1,0,0]=3 764 B15R2.7145 O=C(Cc1cncc(c1)F)NC2CC2 AIFCHEM-94573324591 [0,1,0,1,0,0|2,0,0]=4 765 B15R2.15413 CC1CC1C(=O)Nc2cc(ccn2)Br AIFCHEM-5979967571 [0,1,0,1,0,0|2,0,0]=4 766 B15R2.15413 CC1CC1C(=O)Nc2cc(ccn2)O AIFCHEM-94535015968 [0,1,0,1,0,0|2,0,0]=4 767 B15R2.15413 CC1CC1C(=O)Nc2cccc(c2)Cl AIFCHEM-94523498758 [0,1,0,1,0,0|1,0,0]=3 768 B15R2.15413 C[C@@H]1C[C@H]1C(=O)Nc2cc(ccn2)Br AIFCHEM-5895118926 [0,1,0,1,0,0|2,0,0]=4 769 B15R2.15413 C[C@@H]1C[C@H]1C(=O)Nc2cc(ccn2)O AIFCHEM-94535018338 [0,1,0,1,0,0|2,0,0]=4 770 B15R2.15413 C[C@@H]1C[C@H]1C(=O)Nc2cccc(c2)Cl AIFCHEM-94552615226 [0,1,0,1,0,0|1,0,0]=3 771 B15R2.15413 C[C@H]1C[C@@H]1C(=O)Nc2cc(ccn2)Br AIFCHEM-5894678086 [0,1,0,1,0,0|2,0,0]=4 772 B15R2.15413 C[C@H]1C[C@@H]1C(=O)Nc2cc(ccn2)O AIFCHEM-94535013269 [0,1,0,1,0,0|2,0,0]=4 773 B15R2.15413 C[C@H]1C[C@@H]1C(=O)Nc2cccc(c2)Cl AIFCHEM-94552610157 [0,1,0,1,0,0|1,0,0]=3 774 B15R2.15413 Cc1cccc(c1)NC(=O)C2CC2F AIFCHEM-6102606079 [0,1,0,1,0,0|2,0,0]=4 775 B15R2.15413 Cc1cccc(c1)NC(=O)[C@@H]2C[C@@H]2F AIFCHEM-6122107463 [0,1,0,1,0,0|2,0,0]=4 776 B15R2.15413 Cc1cccc(c1)NC(=O)[C@@H]2C[C@H]2F AIFCHEM-94593651725 [0,1,0,1,0,0|2,0,0]=4 777 B15R2.15413 Cc1cccc(c1)NC(=O)[C@H]2C[C@@H]2F AIFCHEM-6174223609 [0,1,0,1,0,0|2,0,0]=4 778 B15R2.15413 Cc1cccc(c1)NC(=O)[C@H]2C[C@H]2F AIFCHEM-6129075236 [0,1,0,1,0,0|2,0,0]=4 779 B15R2.15413 Cc1ccnc(c1)NC(=O)C2CC2C AIFCHEM-5839704602 [0,1,0,1,0,0|2,0,0]=4 780 B15R2.15413 Cc1ccnc(c1)NC(=O)[C@@H]2C[C@H]2C AIFCHEM-5822166621 [0,1,0,1,0,0|2,0,0]=4 781 B15R2.15413 Cc1ccnc(c1)NC(=O)[C@H]2C[C@@H]2C AIFCHEM-5879467966 [0,1,0,1,0,0|2,0,0]=4 782 B15R2.15413 Cc1cncc(c1)NC(=O)C2CC2C AIFCHEM-94524194650 [0,1,0,1,0,0|2,0,0]=4 783 B15R2.15413 Cc1cncc(c1)NC(=O)[C@@H]2C[C@H]2C AIFCHEM-94524197020 [0,1,0,1,0,0|2,0,0]=4 784 B15R2.15413 Cc1cncc(c1)NC(=O)[C@H]2C[C@@H]2C AIFCHEM-94524191951 [0,1,0,1,0,0|2,0,0]=4 785 B11R1.91 CC(C)CNc1ccccn1 AIFCHEM-94572981495 [1,0,0,0,1,0|2,0,0]=4 786 B11R1.91 CC(C)CNc1cccnc1 AIFCHEM-94572981207 [1,0,0,0,1,0|2,0,0]=4 787 B11R1.91 CC(C)NCc1cccnc1 AIFCHEM-94520540451 [1,0,0,0,1,0|2,0,0]=4 788 B11R1.77 CC(C)NC(=O)c1ccc[nH]1 AIFCHEM-94520550346 [0,0,0,0,2,0|2,0,0]=4 789 B13R1.42 COCC(=O)NCc1cccnc1 AIFCHEM-6237937685 [1,0,0,0,0,1|2,0,0]=4 790 B13R1.42 COCC(=O)NCc1ccncc1 AIFCHEM-94574678558 [1,0,0,0,0,1|2,0,0]=4 791 B13R1.42 CSCC(=O)NCc1ccccn1 AIFCHEM-5770002698 [1,0,0,0,0,1|2,0,0]=4 792 B13R1.337 CC(C)NCCCc1ccccc1 AIFCHEM-94520536453 [1,0,0,0,0,1|0,0,1]=3 793 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 AIFCHEM-94563733602 [0,0,0,0,1,1|1,0,0]=3 794 B13R1.344 CC(C)CNC(=O)Cn1cccn1 AIFCHEM-94563727928 [0,0,0,0,1,1|2,0,0]=4 795 B13R1.344 CC(C)CNC(=O)Cn1ccnc1 AIFCHEM-6179478995 [0,0,0,0,1,1|2,0,0]=4 796 B13R1.344 CC(C)OCC(=O)Nc1ccsc1 AIFCHEM-5665842743 [0,0,0,0,1,1|2,0,0]=4 797 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 AIFCHEM-94552042751 [0,0,0,0,0,2|1,0,0]=3 798 B15R1.1081 CC(C)COCC(=O)Nc1ccncc1 AIFCHEM-6172473925 [0,0,0,0,0,2|2,0,0]=4 799 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 AIFCHEM-5855615597 [0,0,0,0,0,2|1,0,1]=4 800 B15R1.5919 CC(=O)SCC(=O)NCc1ccccc1 AIFCHEM-94528296381 [0,0,0,0,0,2|1,0,1]=4 801 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,0,0,0,0,2|0,0,0]=2 802 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 AIFCHEM-6144403566 [0,0,0,0,0,2|1,0,0]=3 803 B15R1.5919 CC(C)CNC(=O)CSc1ncccn1 AIFCHEM-94568044658 [0,0,0,0,0,2|2,0,0]=4 804 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 AIFCHEM-94554639947 [0,0,0,0,0,2|0,0,0]=2 805 B15R1.5919 CC(C)OCC(=O)NCc1ccncc1 AIFCHEM-5828849454 [0,0,0,0,0,2|1,0,0]=3 806 B15R1.5919 CC(C)OCC(=O)NCc1ccncn1 AIFCHEM-5726117395 [0,0,0,0,0,2|2,0,0]=4 807 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 AIFCHEM-5794768640 [0,0,0,0,0,2|0,0,0]=2 808 B15R1.5919 CC(C)SCC(=O)NCc1cccnc1 AIFCHEM-6238933991 [0,0,0,0,0,2|1,0,0]=3 809 B15R1.5919 CC(C)SCC(=O)NCc1ccncc1 AIFCHEM-5828173720 [0,0,0,0,0,2|1,0,0]=3 810 B15R1.5919 O=C(COC(F)F)NCc1ccccc1 AIFCHEM-5834432128 [0,0,0,0,0,2|2,0,0]=4 811 B15R1.5919 O=C(COc1ccccc1)NCC(F)F AIFCHEM-5987787411 [0,0,0,0,0,2|2,0,0]=4 812 B15R1.9084 CC(C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-94520546321 [0,0,0,0,0,2|1,0,0]=3 813 B15R1.9084 CC(C)NC(=O)C/C=C/c1cccnc1 AIFCHEM-94572194987 [0,0,0,0,0,2|2,0,0]=4 814 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 AIFCHEM-94520546106 [0,0,0,0,0,2|1,0,0]=3 815 B15R1.9084 CC(C)NC(=O)CCCc1ccncc1 AIFCHEM-94520543150 [0,0,0,0,0,2|2,0,0]=4 816 B15R1.9084 CC(C)NC(=O)CCOc1ccccc1 AIFCHEM-94520550804 [0,0,0,0,0,2|1,0,0]=3 817 B15R1.9084 CC(C)NC(=O)CCSc1ccccc1 AIFCHEM-94520549511 [0,0,0,0,0,2|1,0,0]=3 818 B15R1.9084 CC(C)NC(=O)CNCc1ccccn1 AIFCHEM-94530807779 [0,0,0,0,0,2|2,0,0]=4