0 B13R1.42 CC#CC(=O)NCc1ccccn1 AIFCHEM-5687008164 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.42 COCC(=O)NCc1cccnc1 AIFCHEM-6237937685 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.42 COCC(=O)NCc1ccncc1 AIFCHEM-94574678558 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.42 CSCC(=O)NCc1ccccn1 AIFCHEM-5770002698 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.8 CCNCCCc1cccnc1 AIFCHEM-94537421400 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.32 COCC(=O)NCc1cccc(c1)O AIFCHEM-6127546607 [0,1,0,0,0,0|3,0,0]=4 8 B14R1.156 C#CCNC(=O)CCc1ccncc1 AIFCHEM-94588320305 [0,1,0,0,0,0|2,0,1]=4 9 B14R1.156 C/C=C/CC(=O)NCc1ccccc1 AIFCHEM-5834514380 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.156 CCCNC(=O)COc1ccccn1 AIFCHEM-5815026704 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.156 CCCNC(=O)CSc1ccccc1 AIFCHEM-94521372545 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.156 CCOCC(=O)NCc1ccncc1 AIFCHEM-5854853117 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.156 CCSCC(=O)NCc1ccncc1 AIFCHEM-94580219634 [0,1,0,0,0,0|2,1,0]=4 14 B14R1.156 COCCC(=O)NCc1cccnc1 AIFCHEM-6213107461 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.156 CSCCC(=O)NCc1ccccn1 AIFCHEM-5757251982 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.156 O=C(COc1ccccn1)NCCF AIFCHEM-5871206848 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.156 O=C(COc1ccncc1)NCCF AIFCHEM-5871364581 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.502 CC#CC(=O)NCc1ccc(cc1)Br AIFCHEM-5677969542 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.502 CC#CC(=O)NCc1ccc(cc1)Cl AIFCHEM-6052010686 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.502 CC#CC(=O)NCc1ccc(cc1)F AIFCHEM-5805288003 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.502 CCCN(C)CCc1ccc(cc1)Br AIFCHEM-5801716608 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl AIFCHEM-5801279449 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl AIFCHEM-94554522635 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.502 CSCC(=O)NCc1ccc(cc1)C AIFCHEM-94542350929 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.502 CSCC(=O)NCc1ccc(cc1)F AIFCHEM-94530373886 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.502 CSCC(=O)NCc1ccc(cc1)I AIFCHEM-6131561228 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.502 O=C(CCO)NCc1ccc(cc1)F AIFCHEM-94530375859 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.598 CC#CC(=O)NCc1ccccc1Cl AIFCHEM-94555022821 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.598 CC#CC(=O)NCc1ccccc1F AIFCHEM-94520805111 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.598 CC#CC(=O)NCc1ccccc1O AIFCHEM-94592073209 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.598 COCC(=O)NCc1ccccc1O AIFCHEM-94592073446 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.598 CSCC(=O)NCc1ccccc1F AIFCHEM-94520802424 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.598 CSCC(=O)NCc1ccccc1I AIFCHEM-94574483416 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.598 CSCC(=O)NCc1ccccc1O AIFCHEM-94592070522 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.598 Cc1ccccc1CNC(=O)CCO AIFCHEM-6159109346 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.598 O=C(CCO)NCc1ccccc1O AIFCHEM-94592072495 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.756 CCC(C)C(=O)NCc1cccnc1 AIFCHEM-6213184276 [0,1,0,0,0,0|3,0,0]=4 38 B14R1.756 CCN(C)C(=O)C#Cc1ccccc1 AIFCHEM-94563268852 [0,1,0,0,0,0|1,0,2]=4 39 B14R1.756 CCN(C)C(=O)COc1cccnc1 AIFCHEM-94563270058 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.756 CC[C@@H](C)C(=O)NCc1cccnc1 AIFCHEM-6263710997 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.756 CC[C@H](C)C(=O)NCc1cccnc1 AIFCHEM-6277259016 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.818 CC(C)CC(=O)NCc1cccnc1 AIFCHEM-6239813416 [0,1,0,0,0,0|3,0,0]=4 43 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 AIFCHEM-94520550380 [0,1,0,0,0,0|1,0,2]=4 44 B14R1.818 CC(C)NC(=O)CSc1ccncc1 AIFCHEM-94591216978 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.818 CC(O)CC(=O)NCc1ccccc1 AIFCHEM-94554639641 [0,1,0,0,0,0|2,0,0]=3 46 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158680 [0,1,0,0,0,0|2,0,0]=3 47 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158619 [0,1,0,0,0,0|2,0,0]=3 48 B14R1.818 O=C(CC(F)F)NCc1ccccc1 AIFCHEM-5794680680 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.21 O=C1C=C(CCC1)c2ccccc2 AIFCHEM-94590915155 [0,0,0,1,0,0|1,0,2]=4 50 B14R2.112 CCCN1CCc2ccccc2C1 AIFCHEM-94569024035 [0,0,0,1,0,0|3,0,0]=4 51 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [0,0,0,0,1,0|2,0,1]=4 52 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,0,0,0,1,0|3,0,0]=4 53 B14R1.520 CCNC(=O)CNCc1cnccn1 AIFCHEM-5844944741 [0,0,0,0,0,1|3,0,0]=4 54 B14R1.520 CCOC(=O)CNCc1ccncn1 AIFCHEM-5643676024 [0,0,0,0,0,1|2,0,0]=3 55 B14R1.520 CCOC(=O)CNCc1cnccn1 AIFCHEM-5593319234 [0,0,0,0,0,1|2,0,0]=3 56 B14R1.520 CCOC(=O)CNCc1ncccn1 AIFCHEM-5593123893 [0,0,0,0,0,1|2,0,0]=3 57 B11R1.28 CCOC=Cc1ccncc1 AIFCHEM-6380433924 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.6 CCNCCCc1cccc(c1)Cl AIFCHEM-94537417360 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.9 CCCNCCc1ccc(cc1)C AIFCHEM-5792900870 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.24 CCNCCC(O)c1ccccc1 AIFCHEM-94537422180 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.28 CCCNCCCc1ccccc1 AIFCHEM-5790560469 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.28 CCNCCCCc1ccccc1 AIFCHEM-94537420007 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.28 CCOCCNCc1cccnc1 AIFCHEM-94548606577 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.28 CCOCCNCc1ccncc1 AIFCHEM-94548608443 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.337 CC(C)NCCCc1ccccc1 AIFCHEM-94520536453 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.11 CCC(=O)NC(C)c1ccncc1 AIFCHEM-94575925208 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.11 CCC(=O)N[C@@H](C)c1ccncc1 AIFCHEM-94526505823 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.11 CCC(=O)N[C@H](C)c1ccncc1 AIFCHEM-94526498994 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.14 CCC(=O)NCc1ccc(cn1)Br AIFCHEM-94526501149 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.14 CCC(=O)NCc1ccc(cn1)F AIFCHEM-94526508447 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.15 CCC(=O)NCc1cccc(c1)O AIFCHEM-94526510073 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.15 CCC(=O)NCc1cncc(c1)Br AIFCHEM-94586404877 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.15 O=C(CO)NCc1cccc(c1)Br AIFCHEM-94532674370 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.351 CC(C)C(=O)NCc1ccncc1 AIFCHEM-94574679489 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.351 CC(O)C(=O)NCc1ccncc1 AIFCHEM-94574677736 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.351 C[C@@H](O)C(=O)NCc1ccncc1 AIFCHEM-94574671466 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 AIFCHEM-5828335704 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.528 CCC(=O)NCc1ccncc1F AIFCHEM-94526511127 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.528 CCC(=O)NCc1cnccc1C AIFCHEM-94526502485 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.528 CCC(=O)NCc1ncccc1Br AIFCHEM-94526499382 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.528 CCC(=O)NCc1ncccc1C AIFCHEM-94526506664 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.528 CCC(=O)NCc1ncccc1F AIFCHEM-94526506171 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.528 O=C(CO)NCc1ccccc1Br AIFCHEM-5867710510 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.528 O=C(CO)NCc1ccccc1I AIFCHEM-94532682311 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.528 O=C(CO)NCc1ccccc1O AIFCHEM-94532675766 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.153 CCCNC(=O)CCc1ccsc1 AIFCHEM-5791203907 [0,1,0,0,1,0|2,0,0]=4 92 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 AIFCHEM-5933873976 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.554 CCN(C)C(=O)CCc1cccs1 AIFCHEM-94563268513 [0,1,0,0,1,0|2,0,0]=4 94 B13R1.554 CCN(C)C(=O)CCc1ccsc1 AIFCHEM-94563264123 [0,1,0,0,1,0|2,0,0]=4 95 B15R1.11 CCNC(=O)CNCc1ccc(cn1)F AIFCHEM-5845303230 [0,1,0,0,0,1|2,0,0]=4 96 B15R1.11 CCOC(=O)CNCc1ccc(cn1)Cl AIFCHEM-5593249184 [0,1,0,0,0,1|1,0,0]=3 97 B15R1.11 CCOC(=O)CNCc1cnc(cn1)C AIFCHEM-5663204506 [0,1,0,0,0,1|2,0,0]=4 98 B15R1.89 CCNC(=O)CNC(C)c1ccccc1 AIFCHEM-94560531902 [0,1,0,0,0,1|1,0,0]=3 99 B15R1.157 CCCNC(=O)CCSc1ccccc1 AIFCHEM-94521378896 [0,1,0,0,0,1|1,0,0]=3 100 B15R1.633 CCNC(=O)CNCc1ccnc(c1)C AIFCHEM-5868937532 [0,1,0,0,0,1|2,0,0]=4 101 B15R1.633 CCNC(=O)CNCc1cncc(c1)Br AIFCHEM-5793402869 [0,1,0,0,0,1|2,0,0]=4 102 B15R1.633 CCOC(=O)CNCc1cc(ccn1)Cl AIFCHEM-5663245621 [0,1,0,0,0,1|1,0,0]=3 103 B15R1.633 CCOC(=O)CNCc1cccc(c1)I AIFCHEM-5592961134 [0,1,0,0,0,1|0,0,0]=2 104 B15R1.633 CCOC(=O)CNCc1cccc(n1)F AIFCHEM-5655379865 [0,1,0,0,0,1|1,0,0]=3 105 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 AIFCHEM-5819346205 [0,1,0,0,0,1|1,0,0]=3 106 B15R1.826 CCOC(=O)C(C)NCc1ccccn1 AIFCHEM-5832149572 [0,1,0,0,0,1|1,0,0]=3 107 B15R1.826 CCOC(=O)C(C)NCc1cncnc1 AIFCHEM-5851665690 [0,1,0,0,0,1|2,0,0]=4 108 B15R1.826 CCOC(=O)[C@@H](C)NCc1ccccn1 AIFCHEM-6153141758 [0,1,0,0,0,1|1,0,0]=3 109 B15R1.826 CCOC(=O)[C@@H](C)NCc1cncnc1 AIFCHEM-6132939065 [0,1,0,0,0,1|2,0,0]=4 110 B15R1.826 CCOC(=O)[C@H](C)NCc1ccccn1 AIFCHEM-5869945832 [0,1,0,0,0,1|1,0,0]=3 111 B15R1.826 CCOC(=O)[C@H](C)NCc1cncnc1 AIFCHEM-5797268814 [0,1,0,0,0,1|2,0,0]=4 112 B15R1.826 CCSC(=O)[C@H](C)NCc1cccnc1 AIFCHEM-5752969155 [0,1,0,0,0,1|1,1,0]=4 113 B15R1.1252 CCNC(=O)CNCc1ccccc1Br AIFCHEM-5793506292 [0,1,0,0,0,1|1,0,0]=3 114 B15R1.1252 CCNC(=O)CNCc1ccccc1O AIFCHEM-94532467747 [0,1,0,0,0,1|1,0,0]=3 115 B15R1.1252 CCOC(=O)CNCc1ccccc1F AIFCHEM-5592765854 [0,1,0,0,0,1|0,0,0]=2 116 B15R1.1252 CCOC(=O)CNCc1ccccc1I AIFCHEM-5592823750 [0,1,0,0,0,1|0,0,0]=2 117 B15R1.1252 CCOC(=O)CNCc1ccccc1O AIFCHEM-94532467783 [0,1,0,0,0,1|0,0,0]=2 118 B15R1.1252 CCOC(=O)CNCc1cccnc1O AIFCHEM-5593046096 [0,1,0,0,0,1|1,0,0]=3 119 B15R1.1252 CCOC(=O)CNCc1ccncc1Br AIFCHEM-5643718986 [0,1,0,0,0,1|1,0,0]=3 120 B15R1.1252 CCOC(=O)CNCc1ccncc1C AIFCHEM-5643802425 [0,1,0,0,0,1|1,0,0]=3 121 B15R1.1252 CCOC(=O)CNCc1ncccc1O AIFCHEM-5663258026 [0,1,0,0,0,1|1,0,0]=3 122 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 AIFCHEM-94563264578 [0,1,0,0,0,1|1,0,0]=3 123 B15R1.9084 CC(C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-94520546321 [0,1,0,0,0,1|1,0,1]=4 124 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 AIFCHEM-94520546106 [0,1,0,0,0,1|1,0,0]=3 125 B15R1.9084 CC(C)NC(=O)CCCc1ccncc1 AIFCHEM-94520543150 [0,1,0,0,0,1|2,0,0]=4 126 B15R1.9084 CC(C)NC(=O)CCOc1ccccc1 AIFCHEM-94520550804 [0,1,0,0,0,1|1,0,0]=3 127 B15R1.9084 CC(C)NC(=O)CCSc1ccccc1 AIFCHEM-94520549511 [0,1,0,0,0,1|1,0,0]=3 128 B15R1.9084 CC(C)NC(=O)CNCc1ccccn1 AIFCHEM-94530807779 [0,1,0,0,0,1|2,0,0]=4 129 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 AIFCHEM-94563266785 [0,2,0,0,0,0|1,0,0]=3 130 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 AIFCHEM-94563265461 [0,2,0,0,0,0|2,0,0]=4 131 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 AIFCHEM-94520548313 [0,2,0,0,0,0|1,0,0]=3 132 B15R1.127 CCC#CC(=O)NCc1cccc(c1)Cl AIFCHEM-6230788049 [0,2,0,0,0,0|2,0,0]=4 133 B15R1.127 CCC#CC(=O)NCc1cccc(c1)I AIFCHEM-5927155847 [0,2,0,0,0,0|2,0,0]=4 134 B15R1.127 CCCCC(=O)NCc1cccc(c1)C AIFCHEM-94534075228 [0,2,0,0,0,0|2,0,0]=4 135 B15R1.127 CCCNC(=O)CCc1cccc(c1)C AIFCHEM-5792003163 [0,2,0,0,0,0|1,0,0]=3 136 B15R1.127 O=C(CCc1cccc(c1)Br)NCCF AIFCHEM-5854431157 [0,2,0,0,0,0|1,0,0]=3 137 B15R1.127 O=C(COc1cccc(c1)Br)NCCF AIFCHEM-5828284913 [0,2,0,0,0,0|2,0,0]=4 138 B15R1.1002 CCC(C)C(=O)NCc1cccc(c1)Cl AIFCHEM-6229180887 [0,2,0,0,0,0|2,0,0]=4 139 B15R1.1002 CCN(C)C(=O)CCc1cccc(c1)Br AIFCHEM-94563267339 [0,2,0,0,0,0|1,0,0]=3 140 B15R1.1002 CC[C@@H](C)C(=O)NCc1cccc(c1)Cl AIFCHEM-6230979990 [0,2,0,0,0,0|2,0,0]=4 141 B15R1.1002 CC[C@H](C)C(=O)NCc1cccc(c1)Cl AIFCHEM-6225640667 [0,2,0,0,0,0|2,0,0]=4 142 B15R1.8263 CC(C)NC(=O)CCc1cccc(c1)Br AIFCHEM-94520548867 [0,2,0,0,0,0|1,0,0]=3 143 B15R1.8263 CC(C)NC(=O)CCc1cccc(c1)Cl AIFCHEM-94520546934 [0,2,0,0,0,0|1,0,0]=3 144 B15R1.8263 Cc1cccc(c1)OCC(=O)NC(C)C AIFCHEM-94520545666 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.496 CC(C)NC(=O)C(C)Oc1ccccc1 AIFCHEM-94520552285 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.496 CC(C)NC(=O)[C@@H](C)Oc1ccccc1 AIFCHEM-94520543552 [0,2,0,0,0,0|2,0,0]=4 147 B15R1.496 CC(C)NC(=O)[C@H](C)Oc1ccccc1 AIFCHEM-94520546313 [0,2,0,0,0,0|2,0,0]=4 148 B15R1.551 CCCNC(=O)C(O)Cc1ccccc1 AIFCHEM-94573426371 [0,2,0,0,0,0|1,0,0]=3 149 B15R1.551 CCCNC(=O)[C@@H](O)Cc1ccccc1 AIFCHEM-94521376007 [0,2,0,0,0,0|1,0,0]=3 150 B15R1.551 CCCNC(=O)[C@H](O)Cc1ccccc1 AIFCHEM-94521380286 [0,2,0,0,0,0|1,0,0]=3 151 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536107605 [0,2,0,0,0,0|1,0,0]=3 152 B15R1.551 CCOCC(=O)N(C)Cc1ccccn1 AIFCHEM-6111544654 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.551 CCOCC(=O)N(C)Cc1ccncc1 AIFCHEM-5985533161 [0,2,0,0,0,0|2,0,0]=4 154 B15R1.973 CCN(C)C(=O)C(C)Cc1ccncc1 AIFCHEM-6119954606 [0,2,0,0,0,0|2,0,0]=4 155 B15R1.78 CCCNCC(=O)OCc1ccccc1 AIFCHEM-94569013856 [0,2,0,0,0,0|2,0,0]=4 156 B15R1.78 CCCOCC(=O)NCc1ccccc1 AIFCHEM-5876740065 [0,2,0,0,0,0|1,0,0]=3 157 B15R1.78 COCC#CC(=O)NCc1ccccc1 AIFCHEM-94554639049 [0,2,0,0,0,0|2,0,0]=4 158 B15R1.78 COCCNC(=O)COc1ccccc1 AIFCHEM-6017076951 [0,2,0,0,0,0|2,0,0]=4 159 B15R1.78 CSCCNC(=O)CCc1ccccc1 AIFCHEM-94598931451 [0,2,0,0,0,0|1,0,0]=3 160 B15R1.78 CSCCNC(=O)CCc1ccccn1 AIFCHEM-5865688393 [0,2,0,0,0,0|2,0,0]=4 161 B15R1.78 CSCCNC(=O)COc1ccccc1 AIFCHEM-5882541722 [0,2,0,0,0,0|2,0,0]=4 162 B15R1.78 CSCCNC(=O)CSc1ccccc1 AIFCHEM-94598925315 [0,2,0,0,0,0|2,0,0]=4 163 B15R1.78 N#CCCNC(=O)CCc1ccccc1 AIFCHEM-5694569056 [0,2,0,0,0,0|1,0,0]=3 164 B15R1.139 C#CCNC(=O)CCc1ccc(cc1)Br AIFCHEM-6220087493 [0,2,0,0,0,0|1,0,1]=4 165 B15R1.139 CCC#CC(=O)NCc1ccc(cc1)F AIFCHEM-94530376606 [0,2,0,0,0,0|2,0,0]=4 166 B15R1.139 CCC#CC(=O)NCc1ccc(cc1)O AIFCHEM-5674953603 [0,2,0,0,0,0|2,0,0]=4 167 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C AIFCHEM-94534099934 [0,2,0,0,0,0|2,0,0]=4 168 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl AIFCHEM-94521373460 [0,2,0,0,0,0|2,0,0]=4 169 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F AIFCHEM-94521377560 [0,2,0,0,0,0|2,0,0]=4 170 B15R1.139 CCOCC(=O)NCc1ccc(cc1)O AIFCHEM-5675144093 [0,2,0,0,0,0|1,0,0]=3 171 B15R1.139 CCOCC(=O)NCc1ccc(cn1)O AIFCHEM-6035405424 [0,2,0,0,0,0|2,0,0]=4 172 B15R1.139 CCSCC(=O)NCc1ccc(cc1)O AIFCHEM-94544425448 [0,2,0,0,0,0|1,1,0]=4 173 B15R1.139 COCCC(=O)NCc1ccc(cc1)Cl AIFCHEM-5994726263 [0,2,0,0,0,0|2,0,0]=4 174 B15R1.139 COCCC(=O)NCc1ccc(cc1)F AIFCHEM-5805298935 [0,2,0,0,0,0|2,0,0]=4 175 B15R1.139 CSCCC(=O)NCc1ccc(cc1)C AIFCHEM-94542354007 [0,2,0,0,0,0|2,0,0]=4 176 B15R1.139 CSCCC(=O)NCc1ccc(cc1)Cl AIFCHEM-6019163189 [0,2,0,0,0,0|2,0,0]=4 177 B15R1.139 CSCCC(=O)NCc1ccc(cc1)F AIFCHEM-94530376964 [0,2,0,0,0,0|2,0,0]=4 178 B15R1.741 C#CC(C)NC(=O)CCc1ccccn1 AIFCHEM-5711586048 [0,2,0,0,0,0|2,0,0]=4 179 B15R1.741 C#CC(C)NC(=O)CSc1ccccc1 AIFCHEM-5755080984 [0,2,0,0,0,0|2,0,0]=4 180 B15R1.741 C#C[C@H](C)NC(=O)CCc1ccccn1 AIFCHEM-6008538806 [0,2,0,0,0,0|2,0,0]=4 181 B15R1.741 C#C[C@H](C)NC(=O)CSc1ccccc1 AIFCHEM-6036673016 [0,2,0,0,0,0|2,0,0]=4 182 B15R1.1208 C#CCNC(=O)CCc1ccccc1Cl AIFCHEM-6220650370 [0,2,0,0,0,0|1,0,1]=4 183 B15R1.1208 C#CCNC(=O)CCc1ccccc1I AIFCHEM-6216597955 [0,2,0,0,0,0|1,0,1]=4 184 B15R1.1208 CCC#CC(=O)NCc1ccccc1I AIFCHEM-94574486136 [0,2,0,0,0,0|2,0,0]=4 185 B15R1.1208 CCC#CC(=O)NCc1ccccc1O AIFCHEM-94592073242 [0,2,0,0,0,0|2,0,0]=4 186 B15R1.1208 CCCCC(=O)NCc1ccccc1O AIFCHEM-94592066588 [0,2,0,0,0,0|2,0,0]=4 187 B15R1.1208 CCCNC(=O)CCc1ccccc1C AIFCHEM-94521376435 [0,2,0,0,0,0|1,0,0]=3 188 B15R1.1208 CCOCC(=O)NCc1ccccc1O AIFCHEM-94592073458 [0,2,0,0,0,0|1,0,0]=3 189 B15R1.1208 CCSCC(=O)NCc1ccccc1O AIFCHEM-94580222291 [0,2,0,0,0,0|1,1,0]=4 190 B15R1.1208 COCCC(=O)NCc1ccccc1O AIFCHEM-94592070658 [0,2,0,0,0,0|2,0,0]=4 191 B15R1.1208 CSCCC(=O)NCc1ccccc1O AIFCHEM-94592073600 [0,2,0,0,0,0|2,0,0]=4 192 B15R1.1208 O=C(COc1ccccc1Cl)NCCF AIFCHEM-5802403061 [0,2,0,0,0,0|2,0,0]=4 193 B15R1.5919 CC(=O)CNC(=O)CCc1cccnc1 AIFCHEM-6075046136 [0,2,0,0,0,0|2,0,0]=4 194 B15R1.5919 CC(=O)CNC(=O)CCc1ccncc1 AIFCHEM-6074861966 [0,2,0,0,0,0|2,0,0]=4 195 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,2,0,0,0,0|1,0,0]=3 196 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 AIFCHEM-6144403566 [0,2,0,0,0,0|2,0,0]=4 197 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 AIFCHEM-94554639947 [0,2,0,0,0,0|1,0,0]=3 198 B15R1.5919 CC(C)OCC(=O)NCc1ccncc1 AIFCHEM-5828849454 [0,2,0,0,0,0|2,0,0]=4 199 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 AIFCHEM-5794768640 [0,2,0,0,0,0|1,1,0]=4 200 B15R1.5919 O=C(COC(F)F)NCc1ccccc1 AIFCHEM-5834432128 [0,2,0,0,0,0|2,0,0]=4 201 B15R1.5919 O=C(COc1ccccc1)NCC(F)F AIFCHEM-5987787411 [0,2,0,0,0,0|2,0,0]=4 202 B15R1.870 CC(C)NC(=O)COc1ccc(cc1)I AIFCHEM-94520546252 [0,2,0,0,0,0|2,0,0]=4 203 B15R1.870 Cc1ccc(cc1)CCC(=O)NC(C)C AIFCHEM-94520545318 [0,2,0,0,0,0|1,0,0]=3 204 B15R1.870 Cc1ccc(cc1)OCC(=O)NC(C)C AIFCHEM-94520552286 [0,2,0,0,0,0|2,0,0]=4 205 B15R1.870 Cc1ccc(cc1)SCC(=O)NC(C)C AIFCHEM-94520548717 [0,2,0,0,0,0|2,0,0]=4 206 B15R1.870 Cc1ccc(cn1)CCC(=O)NC(C)C AIFCHEM-94520543791 [0,2,0,0,0,0|2,0,0]=4 207 B15R1.1001 CCC(O)C(=O)NCc1ccc(cc1)Br AIFCHEM-5597292597 [0,2,0,0,0,0|2,0,0]=4 208 B15R1.1001 CCC(O)C(=O)NCc1ccc(cc1)Cl AIFCHEM-94554522460 [0,2,0,0,0,0|2,0,0]=4 209 B15R1.1001 CCN(C)C(=O)CCc1ccc(cc1)C AIFCHEM-94563263790 [0,2,0,0,0,0|1,0,0]=3 210 B15R1.1001 CCN(C)C(=O)CCc1ccc(cc1)I AIFCHEM-6126098973 [0,2,0,0,0,0|1,0,0]=3 211 B15R1.1001 CCN(C)C(=O)COc1ccc(cc1)Cl AIFCHEM-94580737766 [0,2,0,0,0,0|2,0,0]=4 212 B15R1.1001 CCN(C)C(=O)COc1ccc(cc1)F AIFCHEM-94563267252 [0,2,0,0,0,0|2,0,0]=4 213 B15R1.1001 CCN(C)C(=O)CSc1ccc(cc1)C AIFCHEM-6125981603 [0,2,0,0,0,0|2,0,0]=4 214 B15R1.1001 CCN(C)C(=O)CSc1ccc(cc1)Cl AIFCHEM-94563266725 [0,2,0,0,0,0|2,0,0]=4 215 B15R1.1001 CC[C@@H](O)C(=O)NCc1ccc(cc1)Br AIFCHEM-5678076415 [0,2,0,0,0,0|2,0,0]=4 216 B15R1.1001 CC[C@@H](O)C(=O)NCc1ccc(cc1)Cl AIFCHEM-5994838260 [0,2,0,0,0,0|2,0,0]=4 217 B15R1.1001 CC[C@H](O)C(=O)NCc1ccc(cc1)Br AIFCHEM-94592189625 [0,2,0,0,0,0|2,0,0]=4 218 B15R1.1001 CC[C@H](O)C(=O)NCc1ccc(cc1)Cl AIFCHEM-94554520582 [0,2,0,0,0,0|2,0,0]=4 219 B15R1.130 CC(C)CC(=O)NCc1ccccc1O AIFCHEM-94592072496 [0,2,0,0,0,0|2,0,0]=4 220 B15R1.130 CC(C)NC(=O)COc1ccccc1F AIFCHEM-94520548311 [0,2,0,0,0,0|2,0,0]=4 221 B15R1.130 CC(O)CC(=O)NCc1ccccc1I AIFCHEM-94574483979 [0,2,0,0,0,0|2,0,0]=4 222 B15R1.130 CC(O)CC(=O)NCc1ccccc1O AIFCHEM-94592071085 [0,2,0,0,0,0|2,0,0]=4 223 B15R1.130 C[C@@H](O)CC(=O)NCc1ccccc1I AIFCHEM-94574486341 [0,2,0,0,0,0|2,0,0]=4 224 B15R1.130 C[C@@H](O)CC(=O)NCc1ccccc1O AIFCHEM-94592073447 [0,2,0,0,0,0|2,0,0]=4 225 B15R1.130 C[C@H](O)CC(=O)NCc1ccccc1I AIFCHEM-94574486280 [0,2,0,0,0,0|2,0,0]=4 226 B15R1.130 C[C@H](O)CC(=O)NCc1ccccc1O AIFCHEM-94592073386 [0,2,0,0,0,0|2,0,0]=4 227 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C AIFCHEM-6159457016 [0,2,0,0,0,0|2,0,0]=4 228 B15R1.130 Cc1ccccc1OCC(=O)NC(C)C AIFCHEM-94520546235 [0,2,0,0,0,0|2,0,0]=4 229 B15R1.1323 CCC(C)C(=O)NCc1ccccc1Cl AIFCHEM-5878044037 [0,2,0,0,0,0|2,0,0]=4 230 B15R1.1323 CCC(C)C(=O)NCc1ccccc1O AIFCHEM-94592066860 [0,2,0,0,0,0|2,0,0]=4 231 B15R1.1323 CCC(O)C(=O)NCc1ccccc1Br AIFCHEM-94588416883 [0,2,0,0,0,0|2,0,0]=4 232 B15R1.1323 CCC(O)C(=O)NCc1ccccc1O AIFCHEM-94592073271 [0,2,0,0,0,0|2,0,0]=4 233 B15R1.1323 CCN(C)C(=O)CCc1ccccc1C AIFCHEM-6173202362 [0,2,0,0,0,0|1,0,0]=3 234 B15R1.1323 CCN(C)C(=O)COc1ccccc1F AIFCHEM-94563266783 [0,2,0,0,0,0|2,0,0]=4 235 B15R1.1323 CC[C@@H](C)C(=O)NCc1ccccc1Cl AIFCHEM-94555020872 [0,2,0,0,0,0|2,0,0]=4 236 B15R1.1323 CC[C@@H](C)C(=O)NCc1ccccc1O AIFCHEM-94592071260 [0,2,0,0,0,0|2,0,0]=4 237 B15R1.1323 CC[C@@H](O)C(=O)NCc1ccccc1Br AIFCHEM-5867654078 [0,2,0,0,0,0|2,0,0]=4 238 B15R1.1323 CC[C@@H](O)C(=O)NCc1ccccc1O AIFCHEM-94592069715 [0,2,0,0,0,0|2,0,0]=4 239 B15R1.1323 CC[C@H](C)C(=O)NCc1ccccc1Cl AIFCHEM-94555018661 [0,2,0,0,0,0|2,0,0]=4 240 B15R1.1323 CC[C@H](C)C(=O)NCc1ccccc1O AIFCHEM-94592069049 [0,2,0,0,0,0|2,0,0]=4 241 B15R1.1323 CC[C@H](O)C(=O)NCc1ccccc1Br AIFCHEM-94588415005 [0,2,0,0,0,0|2,0,0]=4 242 B15R1.1323 CC[C@H](O)C(=O)NCc1ccccc1O AIFCHEM-94592071393 [0,2,0,0,0,0|2,0,0]=4 243 B15R1.488 CCC(CC)C(=O)NCc1ccccc1 AIFCHEM-94539160118 [0,2,0,0,0,0|2,0,0]=4 244 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 AIFCHEM-94554636791 [0,2,0,0,0,0|2,0,0]=4 245 B15R1.3678 CC(C)C(O)C(=O)NCc1ccccc1 AIFCHEM-5834471916 [0,2,0,0,0,0|2,0,0]=4 246 B15R1.3678 CC(C)N(C)C(=O)CCc1ccccc1 AIFCHEM-94547948245 [0,2,0,0,0,0|1,0,0]=3 247 B15R1.3678 CC(C)N(C)C(=O)CCc1ccccn1 AIFCHEM-94547944303 [0,2,0,0,0,0|2,0,0]=4 248 B15R1.3678 CC(C)N(C)C(=O)COc1ccccc1 AIFCHEM-94547943023 [0,2,0,0,0,0|2,0,0]=4 249 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ccccc1 AIFCHEM-94554637630 [0,2,0,0,0,0|2,0,0]=4 250 B15R1.3678 CC(C)[C@H](O)C(=O)NCc1ccccc1 AIFCHEM-5867993911 [0,2,0,0,0,0|2,0,0]=4 251 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 AIFCHEM-94554635070 [0,2,0,0,0,0|2,0,0]=4 252 B15R1.3465 CC(C)(C)NC(=O)CCc1cccnc1 AIFCHEM-94589414680 [0,2,0,0,0,0|2,0,0]=4 253 B15R1.3465 CC(C)(C)NC(=O)CCc1ccncc1 AIFCHEM-94527128565 [0,2,0,0,0,0|2,0,0]=4 254 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 AIFCHEM-94539158678 [0,2,0,0,0,0|2,0,0]=4 255 B15R2.31 CC1CC(CCO1)Nc2ccccc2 AIFCHEM-94577022636 [0,0,0,1,0,1|1,0,1]=4 256 B15R2.31 O=C1CN(CCO1)Cc2ccncc2 AIFCHEM-5843982444 [0,0,0,1,0,1|1,0,0]=3 257 B15R2.55 O=C1OCCC1NCc2cccnn2 AIFCHEM-94548315411 [0,0,0,1,0,1|2,0,0]=4 258 B15R2.55 O=C1OCC[C@@H]1NCc2cccnn2 AIFCHEM-6178103640 [0,0,0,1,0,1|2,0,0]=4 259 B15R2.55 O=C1OCC[C@H]1NCc2cccnn2 AIFCHEM-5746988897 [0,0,0,1,0,1|2,0,0]=4 260 B15R2.55 O=C1SCCC1NCc2cccnc2 AIFCHEM-6242466122 [0,0,0,1,0,1|1,1,0]=4 261 B15R2.55 O=C1SCC[C@H]1NCc2cccnc2 AIFCHEM-6286453365 [0,0,0,1,0,1|1,1,0]=4 262 B15R2.73 CSCC(=O)N1CCc2c1cccc2 AIFCHEM-5816075517 [0,0,0,1,0,1|2,0,0]=4 263 B15R2.15389 O=C(NCc1cccc(c1)Br)C2CC2 AIFCHEM-6224082913 [0,1,0,1,0,0|2,0,0]=4 264 B15R2.505 CC1CC1C(=O)NCc2ccccc2 AIFCHEM-94539156284 [0,1,0,1,0,0|2,0,0]=4 265 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 AIFCHEM-5855539913 [0,1,0,1,0,0|2,0,0]=4 266 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ccccc2 AIFCHEM-94554636908 [0,1,0,1,0,0|2,0,0]=4 267 B15R2.24490 O=C(CCc1ccccc1)N2CCC2 AIFCHEM-94604931541 [0,1,0,1,0,0|1,0,0]=3 268 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 AIFCHEM-6146410233 [0,1,0,1,0,0|1,0,0]=3 269 B15R2.92869 C#CCNC(=O)C1Cc2c1cccc2 AIFCHEM-6221677166 [0,1,0,1,0,0|1,0,1]=4 270 B15R2.1530 O=C(NCc1ccc(cc1)F)C2CC2 AIFCHEM-5805752770 [0,1,0,1,0,0|2,0,0]=4 271 B15R2.7455 O=C(NCc1ccccc1O)C2CC2 AIFCHEM-94592069113 [0,1,0,1,0,0|2,0,0]=4 272 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [1,0,0,0,1,0|2,0,0]=4 273 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [1,0,0,0,1,0|2,0,0]=4 274 B15R1.778 CCOC(=O)CCNCc1cccnn1 AIFCHEM-6037179306 [0,0,0,0,0,2|2,0,0]=4 275 B15R1.778 CCOC(=O)CCNCc1ncccn1 AIFCHEM-6016641632 [0,0,0,0,0,2|2,0,0]=4