0 B17R1.786 C=C(C)CNC(=O)C(C#N)Cc1ccccc1 11a_100000765925_100000075392 [0,0,0,0,0,0|3,0,1]=4 1 B17R1.786 C=C(C)CNC(=O)C(C#N)Cc1ccccc1 1626a_100000765925_100000075392 [0,0,0,0,0,0|3,0,1]=4 2 B17R1.786 C=C(C)CNC(=O)C(C#N)Cc1ccccc1 240690a_100000765925_100000075392 [0,0,0,0,0,0|3,0,1]=4 3 B17R1.786 C=C(C)CNC(=O)C(C#N)Cc1ccccc1 527a_100000765925_100000075392 [0,0,0,0,0,0|3,0,1]=4 4 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 11a_100000765925_100000211556 [0,0,0,0,0,0|4,0,0]=4 5 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 1626a_100000765925_100000211556 [0,0,0,0,0,0|4,0,0]=4 6 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 240690a_100000765925_100000211556 [0,0,0,0,0,0|4,0,0]=4 7 B17R1.786 C=C(C)CNC(=O)C(CC)Oc1ccccc1 527a_100000765925_100000211556 [0,0,0,0,0,0|4,0,0]=4 8 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 11a_100000765925_100000230495 [0,0,0,0,0,0|4,0,0]=4 9 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 1626a_100000765925_100000230495 [0,0,0,0,0,0|4,0,0]=4 10 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 240690a_100000765925_100000230495 [0,0,0,0,0,0|4,0,0]=4 11 B17R1.786 C=C(C)CNC(=O)C(CC)Sc1ccccc1 527a_100000765925_100000230495 [0,0,0,0,0,0|4,0,0]=4 12 B17R1.786 C=C(C)CNC(=O)N(CC)Cc1ccccc1 2708a_100000765925_100000186914 [0,0,0,0,0,0|4,0,0]=4 13 B17R1.786 C=C(C)CNC(=O)N(CC)Cc1ccccc1 273464a_100000765925_100000186914 [0,0,0,0,0,0|4,0,0]=4 14 B17R1.786 CC(=O)NNC(=O)C(C#N)Cc1ccccc1 22a_100000189765_100000075392 [0,0,0,0,0,0|3,0,1]=4 15 B17R1.786 CC(O)CNC(=O)C(C#N)Cc1ccccc1 11a_100000210904_100000075392 [0,0,0,0,0,0|2,0,2]=4 16 B17R1.786 CC(O)CNC(=O)C(C#N)Cc1ccccc1 240690a_100000210904_100000075392 [0,0,0,0,0,0|2,0,2]=4 17 B17R1.786 CC(O)CNC(=O)C(C#N)Cc1ccccc1 527a_100000210904_100000075392 [0,0,0,0,0,0|2,0,2]=4 18 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000211556 [0,0,0,0,0,0|3,0,0]=3 19 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000211556 [0,0,0,0,0,0|3,0,0]=3 20 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000211556 [0,0,0,0,0,0|3,0,0]=3 21 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(C)O 11a_100000210904_100000211556 [0,0,0,0,0,0|3,0,1]=4 22 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(C)O 240690a_100000210904_100000211556 [0,0,0,0,0,0|3,0,1]=4 23 B17R1.786 CCC(Oc1ccccc1)C(=O)NCC(C)O 527a_100000210904_100000211556 [0,0,0,0,0,0|3,0,1]=4 24 B17R1.786 CCC(Oc1ccccc1)C(=O)NNC(=O)C 22a_100000189765_100000211556 [0,0,0,0,0,0|4,0,0]=4 25 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000230495 [0,0,0,0,0,0|3,0,0]=3 26 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000230495 [0,0,0,0,0,0|3,0,0]=3 27 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000230495 [0,0,0,0,0,0|3,0,0]=3 28 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(C)O 11a_100000210904_100000230495 [0,0,0,0,0,0|3,0,1]=4 29 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(C)O 240690a_100000210904_100000230495 [0,0,0,0,0,0|3,0,1]=4 30 B17R1.786 CCC(Sc1ccccc1)C(=O)NCC(C)O 527a_100000210904_100000230495 [0,0,0,0,0,0|3,0,1]=4 31 B17R1.786 CCC(Sc1ccccc1)C(=O)NNC(=O)C 22a_100000189765_100000230495 [0,0,0,0,0,0|4,0,0]=4 32 B17R1.786 CCN(Cc1ccccc1)C(=O)CCC(=O)N 240690a_100000186914_100011215257 [0,0,0,0,0,0|4,0,0]=4 33 B17R1.786 CCN(Cc1ccccc1)C(=O)CCC(=O)N 527a_100000186914_100011215257 [0,0,0,0,0,0|4,0,0]=4 34 B17R1.786 CCN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000186914 [0,0,0,0,0,0|3,0,0]=3 35 B17R1.786 CCN(Cc1ccccc1)C(=O)NCC(C)O 273464a_100000210904_100000186914 [0,0,0,0,0,0|3,0,1]=4 36 B17R1.786 CCN(Cc1ccccn1)C(=O)NCC(=O)N 273464a_100000711301_100000201164 [0,0,0,0,0,0|4,0,0]=4 37 B17R1.786 CCN(Cc1cccnc1)C(=O)NCC(=O)N 273464a_100000711301_100000186920 [0,0,0,0,0,0|4,0,0]=4 38 B17R1.786 CCN(Cc1ccncc1)C(=O)NCC(=O)N 273464a_100000711301_100000186919 [0,0,0,0,0,0|4,0,0]=4 39 B17R1.786 CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B17R1.786 N#CC(Cc1ccccc1)C(=O)CCC(=O)N 1458a_100011215257_100000183401 [0,0,0,0,0,0|3,0,1]=4 41 B17R1.786 N#CC(Cc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000075392 [0,0,0,0,0,0|2,0,1]=3 42 B17R1.786 N#CC(Cc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000075392 [0,0,0,0,0,0|2,0,1]=3 43 B17R1.786 N#CC(Cc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000075392 [0,0,0,0,0,0|2,0,1]=3 44 B17R1.786 [13CH3]N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B16R1.126 C=CCNC(=O)C(C#N)Cc1ccccc1 1626a_100020586998_100000075392 [1,0,0,0,0,0|2,0,1]=4 46 B16R1.126 C=CCNC(=O)C(C#N)Cc1ccccc1 240690a_100020586998_100000075392 [1,0,0,0,0,0|2,0,1]=4 47 B16R1.126 C=CCNC(=O)C(C#N)Cc1ccccc1 527a_100020586998_100000075392 [1,0,0,0,0,0|2,0,1]=4 48 B16R1.126 C=CCNC(=O)C(CC)Oc1ccccc1 1626a_100020586998_100000211556 [1,0,0,0,0,0|3,0,0]=4 49 B16R1.126 C=CCNC(=O)C(CC)Oc1ccccc1 240690a_100020586998_100000211556 [1,0,0,0,0,0|3,0,0]=4 50 B16R1.126 C=CCNC(=O)C(CC)Oc1ccccc1 527a_100020586998_100000211556 [1,0,0,0,0,0|3,0,0]=4 51 B16R1.126 C=CCNC(=O)C(CC)Sc1ccccc1 1626a_100020586998_100000230495 [1,0,0,0,0,0|3,0,0]=4 52 B16R1.126 C=CCNC(=O)C(CC)Sc1ccccc1 240690a_100020586998_100000230495 [1,0,0,0,0,0|3,0,0]=4 53 B16R1.126 C=CCNC(=O)C(CC)Sc1ccccc1 527a_100020586998_100000230495 [1,0,0,0,0,0|3,0,0]=4 54 B16R1.126 C=CCNC(=O)N(CC)Cc1ccccc1 273464a_100020586998_100000186914 [1,0,0,0,0,0|3,0,0]=4 55 B16R1.126 CCC(Oc1ccccc1)C(=O)NCCO 240690a_100000210304_100000211556 [1,0,0,0,0,0|2,0,1]=4 56 B16R1.126 CCC(Oc1ccccc1)C(=O)NCCO 527a_100000210304_100000211556 [1,0,0,0,0,0|2,0,1]=4 57 B16R1.126 CCC(Sc1ccccc1)C(=O)NCCO 240690a_100000210304_100000230495 [1,0,0,0,0,0|2,0,1]=4 58 B16R1.126 CCC(Sc1ccccc1)C(=O)NCCO 527a_100000210304_100000230495 [1,0,0,0,0,0|2,0,1]=4 59 B16R1.126 CCN(Cc1ccccc1)C(=O)NCCO 273464a_100000210304_100000186914 [1,0,0,0,0,0|2,0,1]=4 60 B16R1.126 N#CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000075392 [1,0,0,0,0,0|1,0,2]=4 61 B16R1.126 N#CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000075392 [1,0,0,0,0,0|1,0,2]=4 62 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(=O)N 11a_100000711301_100016990649 [1,0,0,0,0,0|1,0,2]=4 63 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(=O)N 527a_100000711301_100016990649 [1,0,0,0,0,0|1,0,2]=4 64 B16R1.1284 C=C(C)CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000730704 [1,0,0,0,0,0|3,0,0]=4 65 B16R1.1284 C=C(C)CCC(=O)C(C)Cc1ccccc1 1458a_200000688413_200011218536 [1,0,0,0,0,0|3,0,0]=4 66 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccc1 11a_100000765925_100000754839 [1,0,0,0,0,0|2,0,0]=3 67 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccc1 1626a_100000765925_100000754839 [1,0,0,0,0,0|2,0,0]=3 68 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccc1 240690a_100000765925_100000754839 [1,0,0,0,0,0|2,0,0]=3 69 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccc1 527a_100000765925_100000754839 [1,0,0,0,0,0|2,0,0]=3 70 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccn1 1626a_100000765925_100012000792 [1,0,0,0,0,0|3,0,0]=4 71 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccn1 240690a_100000765925_100012000792 [1,0,0,0,0,0|3,0,0]=4 72 B16R1.1284 C=C(C)CNC(=O)C(C)Cc1ccccn1 527a_100000765925_100012000792 [1,0,0,0,0,0|3,0,0]=4 73 B16R1.1284 C=C(C)CNC(=O)C(C)Oc1ccccc1 11a_100000765925_100000188414 [1,0,0,0,0,0|3,0,0]=4 74 B16R1.1284 C=C(C)CNC(=O)C(C)Oc1ccccc1 1626a_100000765925_100000188414 [1,0,0,0,0,0|3,0,0]=4 75 B16R1.1284 C=C(C)CNC(=O)C(C)Oc1ccccc1 240690a_100000765925_100000188414 [1,0,0,0,0,0|3,0,0]=4 76 B16R1.1284 C=C(C)CNC(=O)C(C)Oc1ccccc1 527a_100000765925_100000188414 [1,0,0,0,0,0|3,0,0]=4 77 B16R1.1284 C=C(C)CNC(=O)C(C)Sc1ccccc1 11a_100000765925_100000199063 [1,0,0,0,0,0|3,0,0]=4 78 B16R1.1284 C=C(C)CNC(=O)C(C)Sc1ccccc1 1626a_100000765925_100000199063 [1,0,0,0,0,0|3,0,0]=4 79 B16R1.1284 C=C(C)CNC(=O)C(C)Sc1ccccc1 240690a_100000765925_100000199063 [1,0,0,0,0,0|3,0,0]=4 80 B16R1.1284 C=C(C)CNC(=O)C(C)Sc1ccccc1 527a_100000765925_100000199063 [1,0,0,0,0,0|3,0,0]=4 81 B16R1.1284 C=C(C)CNC(=O)N(C)Cc1ccccc1 2708a_100000765925_100000186898 [1,0,0,0,0,0|3,0,0]=4 82 B16R1.1284 C=C(C)CNC(=O)N(C)Cc1ccccc1 273464a_100000765925_100000186898 [1,0,0,0,0,0|3,0,0]=4 83 B16R1.1284 C=C(C)CNC(=O)[C@H](O)Cc1ccccc1 240690a_100000765925_100009816399 [1,0,0,0,0,0|2,1,0]=4 84 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000066491 [1,0,0,0,0,0|1,0,2]=4 85 B16R1.1284 CC(=O)CCC(=O)N(C)Cc1ccccc1 1458a_200000187328_200000210301 [1,0,0,0,0,0|3,0,0]=4 86 B16R1.1284 CC(=O)NCC(=O)C(C)Cc1ccccc1 1458a_100000194580_200011218536 [1,0,0,0,0,0|3,0,0]=4 87 B16R1.1284 CC(=O)NNC(=O)C(C)Cc1ccccc1 22a_100000189765_100000754839 [1,0,0,0,0,0|2,0,0]=3 88 B16R1.1284 CC(=O)NNC(=O)C(C)Cc1ccccn1 22a_100000189765_100012000792 [1,0,0,0,0,0|3,0,0]=4 89 B16R1.1284 CC(=O)NNC(=O)C(C)Oc1ccccc1 22a_100000189765_100000188414 [1,0,0,0,0,0|3,0,0]=4 90 B16R1.1284 CC(=O)NNC(=O)C(C)Oc1ccccc1 22a_200000188956_100000070787 [1,0,0,0,0,0|3,0,0]=4 91 B16R1.1284 CC(=O)NNC(=O)C(C)Sc1ccccc1 22a_100000189765_100000199063 [1,0,0,0,0,0|3,0,0]=4 92 B16R1.1284 CC(=O)NNC(=O)[C@H](O)Cc1ccccc1 22a_100000189765_100009816399 [1,0,0,0,0,0|2,1,0]=4 93 B16R1.1284 CC(=O)OCC(=O)C(C)Cc1ccccc1 1458a_100000183556_200011218536 [1,0,0,0,0,0|3,0,0]=4 94 B16R1.1284 CC(=O)SCC(=O)C(C)Cc1ccccc1 1458a_100000049016_200011218536 [1,0,0,0,0,0|3,0,0]=4 95 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 11a_100000210953_100000754839 [1,0,0,0,0,0|2,0,1]=4 96 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 1626a_100000210953_100000754839 [1,0,0,0,0,0|2,0,1]=4 97 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 240690a_100000210953_100000754839 [1,0,0,0,0,0|2,0,1]=4 98 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 527a_100000210953_100000754839 [1,0,0,0,0,0|2,0,1]=4 99 B16R1.1284 CC(Cc1ccccc1)C(=O)CCC(=O)N 1458a_100011215257_200011218536 [1,0,0,0,0,0|2,0,0]=3 100 B16R1.1284 CC(Cc1ccccc1)C(=O)CC[N+](=O)[O-] 1458a_200000064761_200011218536 [1,0,0,0,0,0|2,0,1]=4 101 B16R1.1284 CC(Cc1ccccc1)C(=O)CNC(=O)N 1458a_100000184981_200011218536 [1,0,0,0,0,0|3,0,0]=4 102 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000754839 [1,0,0,0,0,0|1,0,0]=2 103 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000754839 [1,0,0,0,0,0|1,0,0]=2 104 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000754839 [1,0,0,0,0,0|1,0,0]=2 105 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(F)F 11a_100000765723_100000754839 [1,0,0,0,0,0|2,0,1]=4 106 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(F)F 1626a_100000765723_100000754839 [1,0,0,0,0,0|2,0,1]=4 107 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(F)F 240690a_100000765723_100000754839 [1,0,0,0,0,0|2,0,1]=4 108 B16R1.1284 CC(Cc1ccccc1)C(=O)NCC(F)F 527a_100000765723_100000754839 [1,0,0,0,0,0|2,0,1]=4 109 B16R1.1284 CC(Cc1ccccn1)C(=O)NCC(=O)N 240690a_100000711301_100012000792 [1,0,0,0,0,0|2,0,0]=3 110 B16R1.1284 CC(Cc1ccccn1)C(=O)NCC(=O)N 527a_100000711301_100012000792 [1,0,0,0,0,0|2,0,0]=3 111 B16R1.1284 CC(O)CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100012276601 [1,0,0,0,0,0|2,0,1]=4 112 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccc1 11a_100000210904_100000754839 [1,0,0,0,0,0|1,0,1]=3 113 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccc1 240690a_100000210904_100000754839 [1,0,0,0,0,0|1,0,1]=3 114 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccc1 527a_100000210904_100000754839 [1,0,0,0,0,0|1,0,1]=3 115 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccn1 240690a_100000210904_100012000792 [1,0,0,0,0,0|2,0,1]=4 116 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccn1 527a_100000210904_100012000792 [1,0,0,0,0,0|2,0,1]=4 117 B16R1.1284 CC(O)CNC(=O)C(C)Oc1ccccc1 11a_100000210904_100000188414 [1,0,0,0,0,0|2,0,1]=4 118 B16R1.1284 CC(O)CNC(=O)C(C)Oc1ccccc1 240690a_100000210904_100000188414 [1,0,0,0,0,0|2,0,1]=4 119 B16R1.1284 CC(O)CNC(=O)C(C)Oc1ccccc1 527a_100000210904_100000188414 [1,0,0,0,0,0|2,0,1]=4 120 B16R1.1284 CC(O)CNC(=O)C(C)Sc1ccccc1 11a_100000210904_100000199063 [1,0,0,0,0,0|2,0,1]=4 121 B16R1.1284 CC(O)CNC(=O)C(C)Sc1ccccc1 240690a_100000210904_100000199063 [1,0,0,0,0,0|2,0,1]=4 122 B16R1.1284 CC(O)CNC(=O)C(C)Sc1ccccc1 527a_100000210904_100000199063 [1,0,0,0,0,0|2,0,1]=4 123 B16R1.1284 CC(O)CNC(=O)N(C)Cc1ccccc1 273464a_100000210904_100000186898 [1,0,0,0,0,0|2,0,1]=4 124 B16R1.1284 CC(O)CNC(=O)[C@H](O)Cc1ccccc1 240690a_100000210904_100009816399 [1,0,0,0,0,0|1,1,1]=4 125 B16R1.1284 CC(Oc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000188414 [1,0,0,0,0,0|2,0,0]=3 126 B16R1.1284 CC(Oc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000188414 [1,0,0,0,0,0|2,0,0]=3 127 B16R1.1284 CC(Oc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000188414 [1,0,0,0,0,0|2,0,0]=3 128 B16R1.1284 CC(Sc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000199063 [1,0,0,0,0,0|2,0,0]=3 129 B16R1.1284 CC(Sc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000199063 [1,0,0,0,0,0|2,0,0]=3 130 B16R1.1284 CC(Sc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000199063 [1,0,0,0,0,0|2,0,0]=3 131 B16R1.1284 CC(Sc1ccccn1)C(=O)NCC(=O)N 11a_100000711301_100000156770 [1,0,0,0,0,0|3,0,0]=4 132 B16R1.1284 CC(Sc1ccccn1)C(=O)NCC(=O)N 240690a_100000711301_100000156770 [1,0,0,0,0,0|3,0,0]=4 133 B16R1.1284 CC(Sc1ccccn1)C(=O)NCC(=O)N 527a_100000711301_100000156770 [1,0,0,0,0,0|3,0,0]=4 134 B16R1.1284 CN(Cc1ccccc1)C(=O)CCC(=O)N 240690a_100000186898_100011215257 [1,0,0,0,0,0|3,0,0]=4 135 B16R1.1284 CN(Cc1ccccc1)C(=O)CCC(=O)N 527a_100000186898_100011215257 [1,0,0,0,0,0|3,0,0]=4 136 B16R1.1284 CN(Cc1ccccc1)C(=O)CCC(=O)[13CH3] 1458a_200000187328_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B16R1.1284 CN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000186898 [1,0,0,0,0,0|2,0,0]=3 138 B16R1.1284 CN(Cc1ccccn1)C(=O)NCC(=O)N 273464a_100000711301_100000207498 [1,0,0,0,0,0|3,0,0]=4 139 B16R1.1284 CN(Cc1cccnc1)C(=O)NCC(=O)N 273464a_100000711301_100000184577 [1,0,0,0,0,0|3,0,0]=4 140 B16R1.1284 CN(Cc1ccncc1)C(=O)NCC(=O)N 273464a_100000711301_100000187231 [1,0,0,0,0,0|3,0,0]=4 141 B16R1.1284 NC(=O)CNC(=O)[C@H](O)Cc1ccccc1 240690a_100000711301_100009816399 [1,0,0,0,0,0|1,1,0]=3 142 B16R1.3379 NC(=O)CNCC(CO)Cc1ccccc1 34a_100160572655_100000187820 [1,0,0,0,0,0|1,1,1]=4 143 B16R1.3379 O=C([O-])CNCC(CO)Cc1ccccc1 34a_100160572655_100020667443 [1,0,0,0,0,0|0,1,2]=4 144 B18R1.1544 C#CCN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000730907 [0,1,0,0,0,0|3,0,0]=4 145 B18R1.1544 C=CCN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000196212 [0,1,0,0,0,0|3,0,0]=4 146 B18R1.1544 CCCN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000184400 [0,1,0,0,0,0|3,0,0]=4 147 B18R1.1544 CCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100000210202 [0,1,0,0,0,0|2,0,0]=3 148 B18R1.1544 N#CCN(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000743013 [0,1,0,0,0,0|3,0,0]=4 149 B18R1.1544 NC(=O)CNC(=O)N(CCO)Cc1ccccc1 273464a_100000711301_100000180844 [0,1,0,0,0,0|2,1,0]=4 150 B18R1.25967 CCC(Oc1ccc(cc1)C)C(=O)NCC(=O)N 11a_100000711301_100000216147 [0,1,0,0,0,0|3,0,0]=4 151 B18R1.25967 CCC(Oc1ccc(cc1)C)C(=O)NCC(=O)N 240690a_100000711301_100000216147 [0,1,0,0,0,0|3,0,0]=4 152 B18R1.25967 CCC(Oc1ccc(cc1)C)C(=O)NCC(=O)N 527a_100000711301_100000216147 [0,1,0,0,0,0|3,0,0]=4 153 B18R1.25967 CCC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)N 11a_100000711301_200000205294 [0,1,0,0,0,0|3,0,0]=4 154 B18R1.25967 CCC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)N 240690a_100000711301_200000205294 [0,1,0,0,0,0|3,0,0]=4 155 B18R1.25967 CCC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)N 527a_100000711301_200000205294 [0,1,0,0,0,0|3,0,0]=4 156 B18R1.25967 CCC(Oc1ccc(cc1)F)C(=O)NCC(=O)N 11a_100000711301_100011202367 [0,1,0,0,0,0|3,0,0]=4 157 B18R1.25967 CCC(Oc1ccc(cc1)F)C(=O)NCC(=O)N 240690a_100000711301_100011202367 [0,1,0,0,0,0|3,0,0]=4 158 B18R1.25967 CCC(Oc1ccc(cc1)F)C(=O)NCC(=O)N 527a_100000711301_100011202367 [0,1,0,0,0,0|3,0,0]=4 159 B18R1.25967 CCN(Cc1ccc(cc1)Br)C(=O)NCC(=O)N 273464a_100000711301_100000187385 [0,1,0,0,0,0|3,0,0]=4 160 B18R1.25967 CCN(Cc1ccc(cc1)C)C(=O)NCC(=O)N 273464a_100000711301_100000180869 [0,1,0,0,0,0|3,0,0]=4 161 B18R1.25967 CCN(Cc1ccc(cc1)Cl)C(=O)NCC(=O)N 273464a_100000711301_100000180830 [0,1,0,0,0,0|3,0,0]=4 162 B18R1.25967 CCN(Cc1ccc(cc1)F)C(=O)NCC(=O)N 273464a_100000711301_100015183324 [0,1,0,0,0,0|3,0,0]=4 163 B18R1.25967 CCN(Cc1ccc(cc1)O)C(=O)NCC(=O)N 273464a_100000711301_100000748449 [0,1,0,0,0,0|3,0,0]=4 164 B18R1.26233 CCN(Cc1cccc(c1)Br)C(=O)NCC(=O)N 273464a_100000711301_100000187426 [0,1,0,0,0,0|3,0,0]=4 165 B18R1.26233 CCN(Cc1cccc(c1)C)C(=O)NCC(=O)N 273464a_100000711301_102516607250 [0,1,0,0,0,0|3,0,0]=4 166 B18R1.26233 CCN(Cc1cccc(c1)Cl)C(=O)NCC(=O)N 273464a_100000711301_100000201194 [0,1,0,0,0,0|3,0,0]=4 167 B18R1.26233 CCN(Cc1cccc(c1)F)C(=O)NCC(=O)N 273464a_100000711301_100000195558 [0,1,0,0,0,0|3,0,0]=4 168 B18R1.26233 CCN(Cc1cccc(c1)O)C(=O)NCC(=O)N 273464a_100000711301_100000201218 [0,1,0,0,0,0|3,0,0]=4 169 B18R1.26484 CCC(Oc1ccccc1)C(=O)N(C)CC(=O)N 11a_100000739694_100000211556 [0,1,0,0,0,0|3,0,0]=4 170 B18R1.26484 CCC(Oc1ccccc1)C(=O)N(C)CC(=O)N 527a_100000739694_100000211556 [0,1,0,0,0,0|3,0,0]=4 171 B18R1.26484 CCC(Sc1ccccc1)C(=O)N(C)CC(=O)N 11a_100000739694_100000230495 [0,1,0,0,0,0|3,0,0]=4 172 B18R1.26484 CCC(Sc1ccccc1)C(=O)N(C)CC(=O)N 527a_100000739694_100000230495 [0,1,0,0,0,0|3,0,0]=4 173 B18R1.26484 CN(CC(=O)N)C(=O)C(C#N)Cc1ccccc1 11a_100000739694_100000075392 [0,1,0,0,0,0|2,0,1]=4 174 B18R1.26484 CN(CC(=O)N)C(=O)C(C#N)Cc1ccccc1 527a_100000739694_100000075392 [0,1,0,0,0,0|2,0,1]=4 175 B18R1.26485 CCC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211556 [0,1,0,0,0,0|3,0,0]=4 176 B18R1.26485 CCC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211556 [0,1,0,0,0,0|3,0,0]=4 177 B18R1.26485 CCC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211556 [0,1,0,0,0,0|3,0,0]=4 178 B18R1.26485 CCC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000230495 [0,1,0,0,0,0|3,0,0]=4 179 B18R1.26485 CCC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000230495 [0,1,0,0,0,0|3,0,0]=4 180 B18R1.26485 CCC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000230495 [0,1,0,0,0,0|3,0,0]=4 181 B18R1.26485 CCN(Cc1ccccc1)C(=O)N[C@H](C)C(=O)N 273464a_100000119354_100000186914 [0,1,0,0,0,0|3,0,0]=4 182 B18R1.26485 C[C@@H](NC(=O)C(C#N)Cc1ccccc1)C(=O)N 11a_100000119354_100000075392 [0,1,0,0,0,0|2,0,1]=4 183 B18R1.26485 C[C@@H](NC(=O)C(C#N)Cc1ccccc1)C(=O)N 240690a_100000119354_100000075392 [0,1,0,0,0,0|2,0,1]=4 184 B18R1.26485 C[C@@H](NC(=O)C(C#N)Cc1ccccc1)C(=O)N 527a_100000119354_100000075392 [0,1,0,0,0,0|2,0,1]=4 185 B18R1.26493 CCC(Oc1ccccc1Cl)C(=O)NCC(=O)N 11a_100000711301_100000205292 [0,1,0,0,0,0|3,0,0]=4 186 B18R1.26493 CCC(Oc1ccccc1Cl)C(=O)NCC(=O)N 240690a_100000711301_100000205292 [0,1,0,0,0,0|3,0,0]=4 187 B18R1.26493 CCC(Oc1ccccc1Cl)C(=O)NCC(=O)N 527a_100000711301_100000205292 [0,1,0,0,0,0|3,0,0]=4 188 B18R1.26493 CCN(Cc1ccccc1C)C(=O)NCC(=O)N 273464a_100000711301_100000201206 [0,1,0,0,0,0|3,0,0]=4 189 B18R1.26493 CCN(Cc1ccccc1Cl)C(=O)NCC(=O)N 273464a_100000711301_100000201176 [0,1,0,0,0,0|3,0,0]=4 190 B18R1.26493 CCN(Cc1ccccc1F)C(=O)NCC(=O)N 273464a_100000711301_100015186831 [0,1,0,0,0,0|3,0,0]=4 191 B18R1.26493 CCN(Cc1ccccc1O)C(=O)NCC(=O)N 273464a_100000711301_100011223546 [0,1,0,0,0,0|3,0,0]=4 192 B18R1.37845 CCC(Oc1ccccc1)C(=O)NCC(=O)NC 11a_100000693194_100000211556 [0,1,0,0,0,0|3,0,0]=4 193 B18R1.37845 CCC(Oc1ccccc1)C(=O)NCC(=O)NC 240690a_100000693194_100000211556 [0,1,0,0,0,0|3,0,0]=4 194 B18R1.37845 CCC(Oc1ccccc1)C(=O)NCC(=O)NC 527a_100000693194_100000211556 [0,1,0,0,0,0|3,0,0]=4 195 B18R1.37845 CCC(Oc1ccccc1)C(=O)NCC(=O)OC 188690a_100000185156_100000211556 [0,1,0,0,0,0|2,0,0]=3 196 B18R1.37845 CCC(Sc1ccccc1)C(=O)NCC(=O)NC 11a_100000693194_100000230495 [0,1,0,0,0,0|3,0,0]=4 197 B18R1.37845 CCC(Sc1ccccc1)C(=O)NCC(=O)NC 240690a_100000693194_100000230495 [0,1,0,0,0,0|3,0,0]=4 198 B18R1.37845 CCC(Sc1ccccc1)C(=O)NCC(=O)NC 527a_100000693194_100000230495 [0,1,0,0,0,0|3,0,0]=4 199 B18R1.37845 CCC(Sc1ccccc1)C(=O)NCC(=O)OC 188690a_100000185156_100000230495 [0,1,0,0,0,0|2,0,0]=3 200 B18R1.37845 CCN(Cc1ccccc1)C(=O)CCC(=O)OC 11a_100000186914_100000187943 [0,1,0,0,0,0|3,0,0]=4 201 B18R1.37845 CCN(Cc1ccccc1)C(=O)CCC(=O)OC 1626a_100000186914_100000187943 [0,1,0,0,0,0|3,0,0]=4 202 B18R1.37845 CCN(Cc1ccccc1)C(=O)CCC(=O)OC 240690a_100000186914_100000187943 [0,1,0,0,0,0|3,0,0]=4 203 B18R1.37845 CCN(Cc1ccccc1)C(=O)CCC(=O)OC 527a_100000186914_100000187943 [0,1,0,0,0,0|3,0,0]=4 204 B18R1.37845 CCN(Cc1ccccc1)C(=O)NCC(=O)NC 273464a_100000693194_100000186914 [0,1,0,0,0,0|3,0,0]=4 205 B18R1.37845 CNC(=O)CNC(=O)C(C#N)Cc1ccccc1 11a_100000693194_100000075392 [0,1,0,0,0,0|2,0,1]=4 206 B18R1.37845 CNC(=O)CNC(=O)C(C#N)Cc1ccccc1 240690a_100000693194_100000075392 [0,1,0,0,0,0|2,0,1]=4 207 B18R1.37845 CNC(=O)CNC(=O)C(C#N)Cc1ccccc1 527a_100000693194_100000075392 [0,1,0,0,0,0|2,0,1]=4 208 B18R1.37845 COC(=O)CCC(=O)C(C#N)Cc1ccccc1 1458a_100000187943_100000183401 [0,1,0,0,0,0|2,0,1]=4 209 B18R1.37845 COC(=O)CNC(=O)C(C#N)Cc1ccccc1 188690a_100000185156_100000075392 [0,1,0,0,0,0|1,0,1]=3 210 B18R1.106036 CC(C)C(Sc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000750438 [0,1,0,0,0,0|3,0,0]=4 211 B18R1.106036 CC(C)C(Sc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000750438 [0,1,0,0,0,0|3,0,0]=4 212 B18R1.106036 CC(C)C(Sc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000750438 [0,1,0,0,0,0|3,0,0]=4 213 B18R1.106036 CC(C)N(Cc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000068392 [0,1,0,0,0,0|3,0,0]=4 214 B18R1.106036 CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_102495365803 [0,1,0,0,0,0|3,0,0]=4 215 B18R1.106036 CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_102495365803 [0,1,0,0,0,0|3,0,0]=4 216 B18R2.14643 NC(=O)CNC(=O)N1CCC1c2ccccc2 273464a_100000711301_100000739605 [0,0,0,1,0,0|3,0,0]=4 217 B18R2.14644 C=C(C)CNC(=O)C1CCc2ccccc2C1 11a_100000765925_100011217706 [0,0,0,1,0,0|3,0,0]=4 218 B18R2.14644 C=C(C)CNC(=O)C1CCc2ccccc2C1 1626a_100000765925_100011217706 [0,0,0,1,0,0|3,0,0]=4 219 B18R2.14644 C=C(C)CNC(=O)C1CCc2ccccc2C1 240690a_100000765925_100011217706 [0,0,0,1,0,0|3,0,0]=4 220 B18R2.14644 C=C(C)CNC(=O)C1CCc2ccccc2C1 527a_100000765925_100011217706 [0,0,0,1,0,0|3,0,0]=4 221 B18R2.14644 C=C(C)CNC(=O)C1COc2ccccc2C1 11a_100000765925_100000203760 [0,0,0,1,0,0|2,1,0]=4 222 B18R2.14644 C=C(C)CNC(=O)C1COc2ccccc2C1 1626a_100000765925_100000203760 [0,0,0,1,0,0|2,1,0]=4 223 B18R2.14644 C=C(C)CNC(=O)C1COc2ccccc2C1 240690a_100000765925_100000203760 [0,0,0,1,0,0|2,1,0]=4 224 B18R2.14644 C=C(C)CNC(=O)C1COc2ccccc2C1 527a_100000765925_100000203760 [0,0,0,1,0,0|2,1,0]=4 225 B18R2.14644 CC(=O)NNC(=O)C1CCc2ccccc2C1 22a_100000189765_100011217706 [0,0,0,1,0,0|3,0,0]=4 226 B18R2.14644 CC(=O)NNC(=O)C1COc2ccccc2C1 22a_100000189765_100000203760 [0,0,0,1,0,0|2,1,0]=4 227 B18R2.14644 CC(O)CNC(=O)C1CCc2ccccc2C1 11a_100000210904_100011217706 [0,0,0,1,0,0|2,0,1]=4 228 B18R2.14644 CC(O)CNC(=O)C1CCc2ccccc2C1 240690a_100000210904_100011217706 [0,0,0,1,0,0|2,0,1]=4 229 B18R2.14644 CC(O)CNC(=O)C1CCc2ccccc2C1 527a_100000210904_100011217706 [0,0,0,1,0,0|2,0,1]=4 230 B18R2.14644 CC(O)CNC(=O)C1COc2ccccc2C1 11a_100000210904_100000203760 [0,0,0,1,0,0|1,1,1]=4 231 B18R2.14644 CC(O)CNC(=O)C1COc2ccccc2C1 240690a_100000210904_100000203760 [0,0,0,1,0,0|1,1,1]=4 232 B18R2.14644 CC(O)CNC(=O)C1COc2ccccc2C1 527a_100000210904_100000203760 [0,0,0,1,0,0|1,1,1]=4 233 B18R2.14644 NC(=O)CNC(=O)C1CCc2ccccc2C1 11a_100000711301_100011217706 [0,0,0,1,0,0|2,0,0]=3 234 B18R2.14644 NC(=O)CNC(=O)C1CCc2ccccc2C1 240690a_100000711301_100011217706 [0,0,0,1,0,0|2,0,0]=3 235 B18R2.14644 NC(=O)CNC(=O)C1CCc2ccccc2C1 527a_100000711301_100011217706 [0,0,0,1,0,0|2,0,0]=3 236 B18R2.14644 NC(=O)CNC(=O)C1CCc2ccccc2O1 11a_100000711301_100000065239 [0,0,0,1,0,0|3,0,0]=4 237 B18R2.14644 NC(=O)CNC(=O)C1CCc2ccccc2O1 240690a_100000711301_100000065239 [0,0,0,1,0,0|3,0,0]=4 238 B18R2.14644 NC(=O)CNC(=O)C1CCc2ccccc2O1 527a_100000711301_100000065239 [0,0,0,1,0,0|3,0,0]=4 239 B18R2.14644 NC(=O)CNC(=O)C1COc2ccccc2C1 11a_100000711301_100000203760 [0,0,0,1,0,0|1,1,0]=3 240 B18R2.14644 NC(=O)CNC(=O)C1COc2ccccc2C1 240690a_100000711301_100000203760 [0,0,0,1,0,0|1,1,0]=3 241 B18R2.14644 NC(=O)CNC(=O)C1COc2ccccc2C1 527a_100000711301_100000203760 [0,0,0,1,0,0|1,1,0]=3 242 B18R2.14644 NC(=O)CNC(=O)C1COc2ccccc2O1 11a_100000711301_100000182656 [0,0,0,1,0,0|2,1,0]=4 243 B18R2.14644 NC(=O)CNC(=O)C1COc2ccccc2O1 240690a_100000711301_100000182656 [0,0,0,1,0,0|2,1,0]=4 244 B18R2.14644 NC(=O)CNC(=O)C1COc2ccccc2O1 527a_100000711301_100000182656 [0,0,0,1,0,0|2,1,0]=4 245 B18R2.14644 NC(=O)CNC(=O)C1Cc2ccccc2CO1 11a_100000711301_100009880028 [0,0,0,1,0,0|3,0,0]=4 246 B18R2.14644 NC(=O)CNC(=O)C1Cc2ccccc2CO1 240690a_100000711301_100009880028 [0,0,0,1,0,0|3,0,0]=4 247 B18R2.14644 NC(=O)CNC(=O)C1Cc2ccccc2CO1 527a_100000711301_100009880028 [0,0,0,1,0,0|3,0,0]=4 248 B18R2.14644 NC(=O)CNC(=O)N1CCc2ccccc2C1 273464a_100000711301_100000188457 [0,0,0,1,0,0|3,0,0]=4 249 B16R1.750 CCC(Oc1ccccc1)C(=O)CC(=O)N 1458a_100000211556_100000187820 [0,0,0,0,1,0|3,0,0]=4 250 B16R1.750 CCC(Oc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000211556_100020667443 [0,0,0,0,1,0|2,0,1]=4 251 B16R1.750 CCC(Sc1ccccc1)C(=O)CC(=O)N 1458a_100000230495_100000187820 [0,0,0,0,1,0|3,0,0]=4 252 B16R1.750 CCC(Sc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000230495_100020667443 [0,0,0,0,1,0|2,0,1]=4 253 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)C 1458a_100000070787_100000183411 [0,0,0,0,1,0|3,0,0]=4 254 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000186914_100134613110 [0,0,0,0,1,0|3,0,0]=4 255 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)N 527a_100000186914_100134613110 [0,0,0,0,1,0|3,0,0]=4 256 B16R1.750 N#CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100000075392_100000187820 [0,0,0,0,1,0|2,0,1]=4 257 B16R1.750 N#CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100134613110_100000183401 [0,0,0,0,1,0|2,0,1]=4 258 B16R1.750 N#CC(Cc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000075392_100020667443 [0,0,0,0,1,0|1,0,2]=4 259 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 11a_100000765925_100000211302 [0,0,0,0,1,0|3,0,0]=4 260 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 1626a_100000765925_100000211302 [0,0,0,0,1,0|3,0,0]=4 261 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 240690a_100000765925_100000211302 [0,0,0,0,1,0|3,0,0]=4 262 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 527a_100000765925_100000211302 [0,0,0,0,1,0|3,0,0]=4 263 B16R1.1673 C=C(C)CNC(=O)C(CO)c1ccccc1 240690a_100000765925_100011218805 [0,0,0,0,1,0|2,1,0]=4 264 B16R1.1673 CC(=O)NNC(=O)C(CO)c1ccccc1 22a_100000189765_100011218805 [0,0,0,0,1,0|2,1,0]=4 265 B16R1.1673 CC(O)CNC(=O)C(CO)c1ccccc1 240690a_100000210904_100011218805 [0,0,0,0,1,0|1,1,1]=4 266 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000211302 [0,0,0,0,1,0|2,0,0]=3 267 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000211302 [0,0,0,0,1,0|2,0,0]=3 268 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000211302 [0,0,0,0,1,0|2,0,0]=3 269 B16R1.1673 CCC(C(=O)NCC(C)O)c1ccccc1 11a_100000210904_100000211302 [0,0,0,0,1,0|2,0,1]=4 270 B16R1.1673 CCC(C(=O)NCC(C)O)c1ccccc1 240690a_100000210904_100000211302 [0,0,0,0,1,0|2,0,1]=4 271 B16R1.1673 CCC(C(=O)NCC(C)O)c1ccccc1 527a_100000210904_100000211302 [0,0,0,0,1,0|2,0,1]=4 272 B16R1.1673 CCC(C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100000211302 [0,0,0,0,1,0|3,0,0]=4 273 B16R1.1673 CCC(C(=O)NNC(=O)C)c1ccccc1 22a_100000189840_100000070787 [0,0,0,0,1,0|3,0,0]=4 274 B16R1.1673 CN[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_200000210301 [0,0,0,0,1,0|2,0,0]=3 275 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000698336 [0,0,0,0,1,0|3,0,0]=4 276 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000698336 [0,0,0,0,1,0|3,0,0]=4 277 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000698336 [0,0,0,0,1,0|3,0,0]=4 278 B16R1.1673 NC(=O)CNC(=O)C(CO)c1ccccc1 240690a_100000711301_100011218805 [0,0,0,0,1,0|1,1,0]=3 279 B16R1.1673 [13CH3]N[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_200025704644 [0,0,0,0,1,0|2,0,0]=3 280 B18R1.718 C=C(C)CNC(=O)NC(CO)Cc1ccccc1 2708a_100000765925_100000739027 [0,0,0,0,0,1|2,1,0]=4 281 B18R1.718 C=C(C)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000765925 [0,0,0,0,0,1|2,1,0]=4 282 B18R1.718 C=C(C)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000765925_100000739027 [0,0,0,0,0,1|2,1,0]=4 283 B18R1.718 C=C(C)CNC(=O)NC(CO)Cc1ccccc1 512a_100000765925_100000739027 [0,0,0,0,0,1|2,1,0]=4 284 B18R1.718 CC(=O)NNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000189765 [0,0,0,0,0,1|2,1,0]=4 285 B18R1.718 CC(=O)NNC(=O)NC(CO)Cc1ccccc1 512a_100000189765_100000739027 [0,0,0,0,0,1|2,1,0]=4 286 B18R1.718 CC(O)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000210904_100000739027 [0,0,0,0,0,1|1,1,1]=4 287 B18R1.718 CC(O)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000210904 [0,0,0,0,0,1|1,1,1]=4 288 B18R1.718 CC(O)CNC(=O)NC(CO)Cc1ccccc1 512a_100000210904_100000739027 [0,0,0,0,0,1|1,1,1]=4 289 B18R1.718 N#CC(Cc1ccccc1)NC(=O)NCC(=O)N 2708a_100000746547_100000711301 [0,0,0,0,0,1|2,0,1]=4 290 B18R1.718 N#CC(Cc1ccccc1)NC(=O)NCC(=O)N 273464a_100000711301_100000746547 [0,0,0,0,0,1|2,0,1]=4 291 B18R1.718 N#CC(Cc1ccccc1)NC(=O)NCC(=O)N 273464a_100000746547_100000711301 [0,0,0,0,0,1|2,0,1]=4 292 B18R1.718 NC(=O)CCC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100011215257 [0,0,0,0,0,1|2,1,0]=4 293 B18R1.718 NC(=O)CCC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100011215257 [0,0,0,0,0,1|2,1,0]=4 294 B18R1.718 NC(=O)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000711301_100000739027 [0,0,0,0,0,1|1,1,0]=3 295 B18R1.718 NC(=O)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000711301 [0,0,0,0,0,1|1,1,0]=3 296 B18R1.718 NC(=O)CNC(=O)NC(CO)Cc1cccnc1 273464a_100000711301_100000717814 [0,0,0,0,0,1|2,1,0]=4 297 B18R1.718 NC(=O)CNC(=O)NC(CO)Cc1cccnc1 273464a_100000717814_100000711301 [0,0,0,0,0,1|2,1,0]=4 298 B18R1.718 NC(=O)CNC(=O)NC(CO)Cc1ccncc1 273464a_100000711301_100000717866 [0,0,0,0,0,1|2,1,0]=4 299 B18R1.718 NC(=O)CNC(=O)NC(CO)Cc1ccncc1 273464a_100000717866_100000711301 [0,0,0,0,0,1|2,1,0]=4 300 B18R1.8588 CCN(CCc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000741020 [0,0,0,0,0,1|3,0,0]=4 301 B18R1.26486 CCC(Oc1ccccc1)C(=O)NCCC(=O)N 11a_100000740010_100000211556 [0,0,0,0,0,1|3,0,0]=4 302 B18R1.26486 CCC(Oc1ccccc1)C(=O)NCCC(=O)N 240690a_100000740010_100000211556 [0,0,0,0,0,1|3,0,0]=4 303 B18R1.26486 CCC(Oc1ccccc1)C(=O)NCCC(=O)N 527a_100000740010_100000211556 [0,0,0,0,0,1|3,0,0]=4 304 B18R1.26486 CCC(Sc1ccccc1)C(=O)NCCC(=O)N 11a_100000740010_100000230495 [0,0,0,0,0,1|3,0,0]=4 305 B18R1.26486 CCC(Sc1ccccc1)C(=O)NCCC(=O)N 240690a_100000740010_100000230495 [0,0,0,0,0,1|3,0,0]=4 306 B18R1.26486 CCC(Sc1ccccc1)C(=O)NCCC(=O)N 527a_100000740010_100000230495 [0,0,0,0,0,1|3,0,0]=4 307 B18R1.26486 CCN(Cc1ccccc1)C(=O)CNCC(=O)N 2230a_100000711301_100000183411 [0,0,0,0,0,1|3,0,0]=4 308 B18R1.26486 CCN(Cc1ccccc1)C(=O)CNCC(=O)O 269956a_100016091260_100000183411 [0,0,0,0,0,1|2,0,0]=3 309 B18R1.26486 CCN(Cc1ccccc1)C(=O)NCCC(=O)N 273464a_100000740010_100000186914 [0,0,0,0,0,1|3,0,0]=4 310 B18R1.26486 N#CC(Cc1ccccc1)C(=O)NCCC(=O)N 11a_100000740010_100000075392 [0,0,0,0,0,1|2,0,1]=4 311 B18R1.26486 N#CC(Cc1ccccc1)C(=O)NCCC(=O)N 240690a_100000740010_100000075392 [0,0,0,0,0,1|2,0,1]=4 312 B18R1.26486 N#CC(Cc1ccccc1)C(=O)NCCC(=O)N 527a_100000740010_100000075392 [0,0,0,0,0,1|2,0,1]=4 313 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 11a_100000212058_100000754839 [2,0,0,0,0,0|1,0,1]=4 314 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 1626a_100000212058_100000754839 [2,0,0,0,0,0|1,0,1]=4 315 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 240690a_100000212058_100000754839 [2,0,0,0,0,0|1,0,1]=4 316 B15R1.551 C#CCNC(=O)C(C)Cc1ccccc1 527a_100000212058_100000754839 [2,0,0,0,0,0|1,0,1]=4 317 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000749702_200011218536 [2,0,0,0,0,0|2,0,0]=4 318 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000754431 [2,0,0,0,0,0|2,0,0]=4 319 B15R1.551 C=CCNC(=O)C(C)Cc1ccccc1 1626a_100020586998_100000754839 [2,0,0,0,0,0|1,0,0]=3 320 B15R1.551 C=CCNC(=O)C(C)Cc1ccccc1 240690a_100020586998_100000754839 [2,0,0,0,0,0|1,0,0]=3 321 B15R1.551 C=CCNC(=O)C(C)Cc1ccccc1 527a_100020586998_100000754839 [2,0,0,0,0,0|1,0,0]=3 322 B15R1.551 C=CCNC(=O)C(C)Cc1ccccn1 1626a_100020586998_100012000792 [2,0,0,0,0,0|2,0,0]=4 323 B15R1.551 C=CCNC(=O)C(C)Cc1ccccn1 240690a_100020586998_100012000792 [2,0,0,0,0,0|2,0,0]=4 324 B15R1.551 C=CCNC(=O)C(C)Cc1ccccn1 527a_100020586998_100012000792 [2,0,0,0,0,0|2,0,0]=4 325 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 1626a_100020586998_100000188414 [2,0,0,0,0,0|2,0,0]=4 326 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 240690a_100020586998_100000188414 [2,0,0,0,0,0|2,0,0]=4 327 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 527a_100020586998_100000188414 [2,0,0,0,0,0|2,0,0]=4 328 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230288 [2,0,0,0,0,0|2,0,0]=4 329 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 1626a_100020586998_100000199063 [2,0,0,0,0,0|2,0,0]=4 330 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 240690a_100020586998_100000199063 [2,0,0,0,0,0|2,0,0]=4 331 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 527a_100020586998_100000199063 [2,0,0,0,0,0|2,0,0]=4 332 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 62a_100000230288_100000041952 [2,0,0,0,0,0|2,0,0]=4 333 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230288 [2,0,0,0,0,0|2,0,0]=4 334 B15R1.551 C=CCNC(=O)N(C)Cc1ccccc1 273464a_100020586998_100000186898 [2,0,0,0,0,0|2,0,0]=4 335 B15R1.551 C=CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100020586998_100009816399 [2,0,0,0,0,0|1,1,0]=4 336 B15R1.551 CC(Cc1ccccc1)C(=O)CCCO 1458a_100000754839_100011215043 [2,0,0,0,0,0|1,0,1]=4 337 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000754839 [2,0,0,0,0,0|1,0,1]=4 338 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N 527a_100000734998_100000754839 [2,0,0,0,0,0|1,0,1]=4 339 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 11a_100000724931_100000754839 [2,0,0,0,0,0|1,0,1]=4 340 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 1626a_100000724931_100000754839 [2,0,0,0,0,0|1,0,1]=4 341 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 240690a_100000724931_100000754839 [2,0,0,0,0,0|1,0,1]=4 342 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 527a_100000724931_100000754839 [2,0,0,0,0,0|1,0,1]=4 343 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000754839 [2,0,0,0,0,0|0,0,1]=3 344 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000754839 [2,0,0,0,0,0|0,0,1]=3 345 B15R1.551 CC(Cc1ccccn1)C(=O)NCCO 240690a_100000210304_100012000792 [2,0,0,0,0,0|1,0,1]=4 346 B15R1.551 CC(Cc1ccccn1)C(=O)NCCO 527a_100000210304_100012000792 [2,0,0,0,0,0|1,0,1]=4 347 B15R1.551 CC(Oc1ccccc1)C(=O)NCCO 240690a_100000210304_100000188414 [2,0,0,0,0,0|1,0,1]=4 348 B15R1.551 CC(Oc1ccccc1)C(=O)NCCO 527a_100000210304_100000188414 [2,0,0,0,0,0|1,0,1]=4 349 B15R1.551 CC(Sc1ccccc1)C(=O)NCCO 240690a_100000210304_100000199063 [2,0,0,0,0,0|1,0,1]=4 350 B15R1.551 CC(Sc1ccccc1)C(=O)NCCO 527a_100000210304_100000199063 [2,0,0,0,0,0|1,0,1]=4 351 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 11a_100020643023_100000754839 [2,0,0,0,0,0|1,0,1]=4 352 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 1626a_100020643023_100000754839 [2,0,0,0,0,0|1,0,1]=4 353 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 240690a_100020643023_100000754839 [2,0,0,0,0,0|1,0,1]=4 354 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 527a_100020643023_100000754839 [2,0,0,0,0,0|1,0,1]=4 355 B15R1.551 CN(Cc1ccccc1)C(=O)NCCO 273464a_100000210304_100000186898 [2,0,0,0,0,0|1,0,1]=4 356 B15R1.551 O=C(NCCO)[C@H](O)Cc1ccccc1 240690a_100000210304_100009816399 [2,0,0,0,0,0|0,1,1]=4 357 B15R1.1035 O=CCNCC(CO)Cc1ccccc1 34a_100160572655_200009817547 [2,0,0,0,0,0|0,1,1]=4 358 B15R1.1081 CC(Cc1ccccc1)NOCC(=O)O 269956a_100000106656_200011218536 [2,0,0,0,0,0|2,0,0]=4 359 B15R1.1081 O=C(O)CNC[C@@H](O)Cc1ccccc1 269956a_100016091260_100000729385 [2,0,0,0,0,0|0,1,1]=4 360 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 11a_100000765925_100000185753 [2,0,0,0,0,0|2,0,0]=4 361 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 1626a_100000765925_100000185753 [2,0,0,0,0,0|2,0,0]=4 362 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 240690a_100000765925_100000185753 [2,0,0,0,0,0|2,0,0]=4 363 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 527a_100000765925_100000185753 [2,0,0,0,0,0|2,0,0]=4 364 B15R1.5919 CC(=O)CNC(=O)CCc1ccccc1 1458a_100000194590_200000210301 [2,0,0,0,0,0|1,0,0]=3 365 B15R1.5919 CC(=O)CNC(=O)COc1ccccc1 1458a_100000185185_200000210301 [2,0,0,0,0,0|2,0,0]=4 366 B15R1.5919 CC(=O)CNC(=O)OCc1ccccc1 1458a_100000744346_200000210301 [2,0,0,0,0,0|2,0,0]=4 367 B15R1.5919 CC(=O)NNC(=O)CCc1ccccc1 22a_100000189765_100000185753 [2,0,0,0,0,0|2,0,0]=4 368 B15R1.5919 CC(=O)NNC(=O)CCc1ccccc1 22a_100000189782_100000070787 [2,0,0,0,0,0|2,0,0]=4 369 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 11a_100000210904_100000185753 [2,0,0,0,0,0|1,0,1]=4 370 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 240690a_100000210904_100000185753 [2,0,0,0,0,0|1,0,1]=4 371 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 527a_100000210904_100000185753 [2,0,0,0,0,0|1,0,1]=4 372 B15R1.5919 NC(=O)CCC(=O)CCc1ccccc1 1458a_100011215257_100000765856 [2,0,0,0,0,0|2,0,0]=4 373 B15R1.5919 NC(=O)CNC(=O)CCc1ccccc1 11a_100000711301_100000185753 [2,0,0,0,0,0|1,0,0]=3 374 B15R1.5919 NC(=O)CNC(=O)CCc1ccccc1 240690a_100000711301_100000185753 [2,0,0,0,0,0|1,0,0]=3 375 B15R1.5919 NC(=O)CNC(=O)CCc1ccccc1 527a_100000711301_100000185753 [2,0,0,0,0,0|1,0,0]=3 376 B15R1.5919 NC(=O)CNC(=O)CCc1ccccn1 11a_100000711301_100015195070 [2,0,0,0,0,0|2,0,0]=4 377 B15R1.5919 NC(=O)CNC(=O)CCc1ccccn1 240690a_100000711301_100015195070 [2,0,0,0,0,0|2,0,0]=4 378 B15R1.5919 NC(=O)CNC(=O)CCc1ccccn1 527a_100000711301_100015195070 [2,0,0,0,0,0|2,0,0]=4 379 B15R1.5919 NC(=O)CNC(=O)CCc1cccnc1 11a_100000711301_100000198484 [2,0,0,0,0,0|2,0,0]=4 380 B15R1.5919 NC(=O)CNC(=O)CCc1cccnc1 240690a_100000711301_100000198484 [2,0,0,0,0,0|2,0,0]=4 381 B15R1.5919 NC(=O)CNC(=O)CCc1cccnc1 527a_100000711301_100000198484 [2,0,0,0,0,0|2,0,0]=4 382 B15R1.5919 NC(=O)CNC(=O)CCc1ccncc1 11a_100000711301_100011225043 [2,0,0,0,0,0|2,0,0]=4 383 B15R1.5919 NC(=O)CNC(=O)CCc1ccncc1 240690a_100000711301_100011225043 [2,0,0,0,0,0|2,0,0]=4 384 B15R1.5919 NC(=O)CNC(=O)CCc1ccncc1 527a_100000711301_100011225043 [2,0,0,0,0,0|2,0,0]=4 385 B15R1.5919 NC(=O)CNC(=O)COc1ccccc1 11a_100000711301_100000186222 [2,0,0,0,0,0|2,0,0]=4 386 B15R1.5919 NC(=O)CNC(=O)COc1ccccc1 240690a_100000711301_100000186222 [2,0,0,0,0,0|2,0,0]=4 387 B15R1.5919 NC(=O)CNC(=O)COc1ccccc1 527a_100000711301_100000186222 [2,0,0,0,0,0|2,0,0]=4 388 B15R1.5919 NC(=O)CNC(=O)CSc1ccccc1 11a_100000711301_100000211596 [2,0,0,0,0,0|2,0,0]=4 389 B15R1.5919 NC(=O)CNC(=O)CSc1ccccc1 240690a_100000711301_100000211596 [2,0,0,0,0,0|2,0,0]=4 390 B15R1.5919 NC(=O)CNC(=O)CSc1ccccc1 527a_100000711301_100000211596 [2,0,0,0,0,0|2,0,0]=4 391 B15R1.5919 NC(=O)CNC(=O)NCc1ccccc1 2708a_100015324214_100000711301 [2,0,0,0,0,0|2,0,0]=4 392 B15R1.5919 NC(=O)CNC(=O)NCc1ccccc1 273464a_100000711301_100015324214 [2,0,0,0,0,0|2,0,0]=4 393 B15R1.5919 NC(=O)CNC(=O)NCc1ccccc1 273464a_100015324214_100000711301 [2,0,0,0,0,0|2,0,0]=4 394 B15R1.5919 NC(=O)CNC(=O)NCc1ccccc1 512a_100015324214_100000711301 [2,0,0,0,0,0|2,0,0]=4 395 B15R1.5919 [13CH3]C(=O)CNC(=O)CCc1ccccc1 1458a_100000194590_200025704644 [2,0,0,0,0,0|1,0,0]=3 396 B15R1.5919 [13CH3]C(=O)CNC(=O)COc1ccccc1 1458a_100000185185_200025704644 [2,0,0,0,0,0|2,0,0]=4 397 B15R1.5919 [13CH3]C(=O)CNC(=O)OCc1ccccc1 1458a_100000744346_200025704644 [2,0,0,0,0,0|2,0,0]=4 398 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)Br 11a_100000765925_100000695199 [1,1,0,0,0,0|2,0,0]=4 399 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)Br 1626a_100000765925_100000695199 [1,1,0,0,0,0|2,0,0]=4 400 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100000765925_100000695199 [1,1,0,0,0,0|2,0,0]=4 401 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)Br 527a_100000765925_100000695199 [1,1,0,0,0,0|2,0,0]=4 402 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)F 11a_100000765925_100000746122 [1,1,0,0,0,0|2,0,0]=4 403 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)F 1626a_100000765925_100000746122 [1,1,0,0,0,0|2,0,0]=4 404 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)F 240690a_100000765925_100000746122 [1,1,0,0,0,0|2,0,0]=4 405 B17R1.1121 C=C(C)CNC(=O)C(C)Cc1ccc(cc1)F 527a_100000765925_100000746122 [1,1,0,0,0,0|2,0,0]=4 406 B17R1.1121 CC(=O)NNC(=O)C(C)Cc1ccc(cc1)Br 22a_100000189765_100000695199 [1,1,0,0,0,0|2,0,0]=4 407 B17R1.1121 CC(=O)NNC(=O)C(C)Cc1ccc(cc1)F 22a_100000189765_100000746122 [1,1,0,0,0,0|2,0,0]=4 408 B17R1.1121 CC(Cc1ccc(cc1)Br)C(=O)NCC(=O)N 11a_100000711301_100000695199 [1,1,0,0,0,0|1,0,0]=3 409 B17R1.1121 CC(Cc1ccc(cc1)Br)C(=O)NCC(=O)N 240690a_100000711301_100000695199 [1,1,0,0,0,0|1,0,0]=3 410 B17R1.1121 CC(Cc1ccc(cc1)Br)C(=O)NCC(=O)N 527a_100000711301_100000695199 [1,1,0,0,0,0|1,0,0]=3 411 B17R1.1121 CC(Cc1ccc(cc1)F)C(=O)NCC(=O)N 11a_100000711301_100000746122 [1,1,0,0,0,0|1,0,0]=3 412 B17R1.1121 CC(Cc1ccc(cc1)F)C(=O)NCC(=O)N 240690a_100000711301_100000746122 [1,1,0,0,0,0|1,0,0]=3 413 B17R1.1121 CC(Cc1ccc(cc1)F)C(=O)NCC(=O)N 527a_100000711301_100000746122 [1,1,0,0,0,0|1,0,0]=3 414 B17R1.1121 CC(O)CNC(=O)C(C)Cc1ccc(cc1)Br 11a_100000210904_100000695199 [1,1,0,0,0,0|1,0,1]=4 415 B17R1.1121 CC(O)CNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100000210904_100000695199 [1,1,0,0,0,0|1,0,1]=4 416 B17R1.1121 CC(O)CNC(=O)C(C)Cc1ccc(cc1)Br 527a_100000210904_100000695199 [1,1,0,0,0,0|1,0,1]=4 417 B17R1.1121 CC(O)CNC(=O)C(C)Cc1ccc(cc1)F 11a_100000210904_100000746122 [1,1,0,0,0,0|1,0,1]=4 418 B17R1.1121 CC(O)CNC(=O)C(C)Cc1ccc(cc1)F 240690a_100000210904_100000746122 [1,1,0,0,0,0|1,0,1]=4 419 B17R1.1121 CC(O)CNC(=O)C(C)Cc1ccc(cc1)F 527a_100000210904_100000746122 [1,1,0,0,0,0|1,0,1]=4 420 B17R1.1121 CC(Oc1ccc(cc1)Br)C(=O)NCC(=O)N 11a_100000711301_100000181392 [1,1,0,0,0,0|2,0,0]=4 421 B17R1.1121 CC(Oc1ccc(cc1)Br)C(=O)NCC(=O)N 240690a_100000711301_100000181392 [1,1,0,0,0,0|2,0,0]=4 422 B17R1.1121 CC(Oc1ccc(cc1)Br)C(=O)NCC(=O)N 527a_100000711301_100000181392 [1,1,0,0,0,0|2,0,0]=4 423 B17R1.1121 CC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)N 11a_100000711301_100000184027 [1,1,0,0,0,0|2,0,0]=4 424 B17R1.1121 CC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)N 240690a_100000711301_100000184027 [1,1,0,0,0,0|2,0,0]=4 425 B17R1.1121 CC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)N 527a_100000711301_100000184027 [1,1,0,0,0,0|2,0,0]=4 426 B17R1.1121 CC(Oc1ccc(cc1)F)C(=O)NCC(=O)N 11a_100000711301_100000203723 [1,1,0,0,0,0|2,0,0]=4 427 B17R1.1121 CC(Oc1ccc(cc1)F)C(=O)NCC(=O)N 240690a_100000711301_100000203723 [1,1,0,0,0,0|2,0,0]=4 428 B17R1.1121 CC(Oc1ccc(cc1)F)C(=O)NCC(=O)N 527a_100000711301_100000203723 [1,1,0,0,0,0|2,0,0]=4 429 B17R1.1121 CC(Sc1ccc(cc1)Cl)C(=O)NCC(=O)N 11a_100000711301_100000178403 [1,1,0,0,0,0|2,0,0]=4 430 B17R1.1121 CC(Sc1ccc(cc1)Cl)C(=O)NCC(=O)N 240690a_100000711301_100000178403 [1,1,0,0,0,0|2,0,0]=4 431 B17R1.1121 CC(Sc1ccc(cc1)Cl)C(=O)NCC(=O)N 527a_100000711301_100000178403 [1,1,0,0,0,0|2,0,0]=4 432 B17R1.1121 CC(Sc1ccc(cc1)F)C(=O)NCC(=O)N 11a_100000711301_100000181075 [1,1,0,0,0,0|2,0,0]=4 433 B17R1.1121 CC(Sc1ccc(cc1)F)C(=O)NCC(=O)N 240690a_100000711301_100000181075 [1,1,0,0,0,0|2,0,0]=4 434 B17R1.1121 CC(Sc1ccc(cc1)F)C(=O)NCC(=O)N 527a_100000711301_100000181075 [1,1,0,0,0,0|2,0,0]=4 435 B17R1.1121 CN(Cc1ccc(cc1)Br)C(=O)NCC(=O)N 273464a_100000711301_100000180866 [1,1,0,0,0,0|2,0,0]=4 436 B17R1.1121 CN(Cc1ccc(cc1)Cl)C(=O)NCC(=O)N 273464a_100000711301_100000184517 [1,1,0,0,0,0|2,0,0]=4 437 B17R1.1121 CN(Cc1ccc(cc1)F)C(=O)NCC(=O)N 273464a_100000711301_100000184576 [1,1,0,0,0,0|2,0,0]=4 438 B17R1.1121 CN(Cc1ccc(cc1)O)C(=O)NCC(=O)N 273464a_100000711301_100000207500 [1,1,0,0,0,0|2,0,0]=4 439 B17R1.1121 C[C@@H](Oc1ccc(cc1)O)C(=O)NCC(=O)N 240690a_100000711301_100000005562 [1,1,0,0,0,0|2,0,0]=4 440 B17R1.1121 C[C@@H](Oc1ccc(cc1)O)C(=O)NCC(=O)N 527a_100000711301_100000005562 [1,1,0,0,0,0|2,0,0]=4 441 B17R1.1121 Cc1ccc(cc1)CN(C)C(=O)NCC(=O)N 273464a_100000711301_100000744650 [1,1,0,0,0,0|2,0,0]=4 442 B17R1.1121 Cc1ccc(cc1)OC(C)C(=O)NCC(=O)N 11a_100000711301_100000183867 [1,1,0,0,0,0|2,0,0]=4 443 B17R1.1121 Cc1ccc(cc1)OC(C)C(=O)NCC(=O)N 240690a_100000711301_100000183867 [1,1,0,0,0,0|2,0,0]=4 444 B17R1.1121 Cc1ccc(cc1)OC(C)C(=O)NCC(=O)N 527a_100000711301_100000183867 [1,1,0,0,0,0|2,0,0]=4 445 B17R1.1121 Cc1ccc(cc1)SC(C)C(=O)NCC(=O)N 11a_100000711301_100000181072 [1,1,0,0,0,0|2,0,0]=4 446 B17R1.1121 Cc1ccc(cc1)SC(C)C(=O)NCC(=O)N 240690a_100000711301_100000181072 [1,1,0,0,0,0|2,0,0]=4 447 B17R1.1121 Cc1ccc(cc1)SC(C)C(=O)NCC(=O)N 527a_100000711301_100000181072 [1,1,0,0,0,0|2,0,0]=4 448 B17R1.1121 NC(=O)CNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100000711301_100012362158 [1,1,0,0,0,0|1,1,0]=4 449 B17R1.1121 NC(=O)CNC(=O)C(O)Cc1ccc(cc1)F 240690a_100000711301_100012179405 [1,1,0,0,0,0|1,1,0]=4 450 B17R1.1121 NC(=O)CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100000711301_100015278814 [1,1,0,0,0,0|1,1,0]=4 451 B17R1.1121 NC(=O)CNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100000711301_200015644258 [1,1,0,0,0,0|1,1,0]=4 452 B17R1.1375 C=C(Cc1ccccc1)C(=O)NCC(=O)OC 188690a_100000185156_100000066491 [1,1,0,0,0,0|0,0,2]=4 453 B17R1.1375 CC(CO)CNC(=O)C(C)Cc1ccccc1 240690a_100000744482_100000754839 [1,1,0,0,0,0|1,0,1]=4 454 B17R1.1375 CC(CO)CNC(=O)C(C)Cc1ccccc1 527a_100000744482_100000754839 [1,1,0,0,0,0|1,0,1]=4 455 B17R1.1375 CC(Cc1ccccc1)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000754839 [1,1,0,0,0,0|1,0,1]=4 456 B17R1.1375 CC(Cc1ccccc1)C(=O)NC[C@@H](F)CO 527a_100015665980_100000754839 [1,1,0,0,0,0|1,0,1]=4 457 B17R1.1375 CC(Cc1ccccc1)C(=O)NC[C@H](O)CO 240690a_100020644852_100000754839 [1,1,0,0,0,0|0,0,2]=4 458 B17R1.1375 CC(Cc1ccccc1)C(=O)NC[C@H](O)CO 527a_100020644852_100000754839 [1,1,0,0,0,0|0,0,2]=4 459 B17R1.1375 CC(Oc1ccccc1)C(=O)NNC(=O)CO 22a_200000188956_100000210174 [1,1,0,0,0,0|2,0,0]=4 460 B17R1.1375 CCC(=O)NNC(=O)C(C)Cc1ccccc1 22a_100000183195_100000754839 [1,1,0,0,0,0|2,0,0]=4 461 B17R1.1375 CCC(O)CNC(=O)C(C)Cc1ccccc1 11a_100011218483_100000754839 [1,1,0,0,0,0|1,0,1]=4 462 B17R1.1375 CCC(O)CNC(=O)C(C)Cc1ccccc1 240690a_100011218483_100000754839 [1,1,0,0,0,0|1,0,1]=4 463 B17R1.1375 CCC(O)CNC(=O)C(C)Cc1ccccc1 527a_100011218483_100000754839 [1,1,0,0,0,0|1,0,1]=4 464 B17R1.1375 CNC(=O)CCC(=O)C(C)Cc1ccccc1 1458a_100011309844_200011218536 [1,1,0,0,0,0|2,0,0]=4 465 B17R1.1375 CNC(=O)CNC(=O)C(C)Cc1ccccc1 11a_100000693194_100000754839 [1,1,0,0,0,0|1,0,0]=3 466 B17R1.1375 CNC(=O)CNC(=O)C(C)Cc1ccccc1 240690a_100000693194_100000754839 [1,1,0,0,0,0|1,0,0]=3 467 B17R1.1375 CNC(=O)CNC(=O)C(C)Cc1ccccc1 527a_100000693194_100000754839 [1,1,0,0,0,0|1,0,0]=3 468 B17R1.1375 CNC(=O)CNC(=O)C(C)Cc1ccccn1 240690a_100000693194_100012000792 [1,1,0,0,0,0|2,0,0]=4 469 B17R1.1375 CNC(=O)CNC(=O)C(C)Cc1ccccn1 527a_100000693194_100012000792 [1,1,0,0,0,0|2,0,0]=4 470 B17R1.1375 CNC(=O)CNC(=O)C(C)Oc1ccccc1 11a_100000693194_100000188414 [1,1,0,0,0,0|2,0,0]=4 471 B17R1.1375 CNC(=O)CNC(=O)C(C)Oc1ccccc1 240690a_100000693194_100000188414 [1,1,0,0,0,0|2,0,0]=4 472 B17R1.1375 CNC(=O)CNC(=O)C(C)Oc1ccccc1 527a_100000693194_100000188414 [1,1,0,0,0,0|2,0,0]=4 473 B17R1.1375 CNC(=O)CNC(=O)C(C)Sc1ccccc1 11a_100000693194_100000199063 [1,1,0,0,0,0|2,0,0]=4 474 B17R1.1375 CNC(=O)CNC(=O)C(C)Sc1ccccc1 240690a_100000693194_100000199063 [1,1,0,0,0,0|2,0,0]=4 475 B17R1.1375 CNC(=O)CNC(=O)C(C)Sc1ccccc1 527a_100000693194_100000199063 [1,1,0,0,0,0|2,0,0]=4 476 B17R1.1375 CNC(=O)CNC(=O)N(C)Cc1ccccc1 273464a_100000693194_100000186898 [1,1,0,0,0,0|2,0,0]=4 477 B17R1.1375 CNC(=O)CNC(=O)[C@H](O)Cc1ccccc1 240690a_100000693194_100009816399 [1,1,0,0,0,0|1,1,0]=4 478 B17R1.1375 COC(=O)CCC(=O)C(C)Cc1ccccc1 1458a_100000187943_200011218536 [1,1,0,0,0,0|1,0,0]=3 479 B17R1.1375 COC(=O)CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000187943 [1,1,0,0,0,0|2,0,0]=4 480 B17R1.1375 COC(=O)CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000187943 [1,1,0,0,0,0|2,0,0]=4 481 B17R1.1375 COC(=O)CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000187943 [1,1,0,0,0,0|2,0,0]=4 482 B17R1.1375 COC(=O)CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000187943 [1,1,0,0,0,0|2,0,0]=4 483 B17R1.1375 COC(=O)CNC(=O)/C(=C/c1ccccc1)/C 188690a_100000185156_100016990649 [1,1,0,0,0,0|0,0,2]=4 484 B17R1.1375 COC(=O)CNC(=O)C(C)Cc1ccccc1 188690a_100000185156_100000754839 [1,1,0,0,0,0|0,0,0]=2 485 B17R1.1375 COC(=O)CNC(=O)C(C)Cc1ccccn1 188690a_100000185156_100012000792 [1,1,0,0,0,0|1,0,0]=3 486 B17R1.1375 COC(=O)CNC(=O)C(C)Oc1ccccc1 188690a_100000185156_100000188414 [1,1,0,0,0,0|1,0,0]=3 487 B17R1.1375 COC(=O)CNC(=O)C(C)Sc1ccccc1 188690a_100000185156_100000199063 [1,1,0,0,0,0|1,0,0]=3 488 B17R1.1375 COC(=O)CNC(=O)[C@H](O)Cc1ccccc1 188690a_100000185156_100009816399 [1,1,0,0,0,0|0,1,0]=3 489 B17R1.1375 COC(=O)NCC(=O)C(C)Cc1ccccc1 1458a_100000215747_200011218536 [1,1,0,0,0,0|2,0,0]=4 490 B17R1.1375 CO[C@H](C)CNC(=O)C(C)Cc1ccccc1 11a_100020591295_100000754839 [1,1,0,0,0,0|1,0,1]=4 491 B17R1.1375 CO[C@H](C)CNC(=O)C(C)Cc1ccccc1 1626a_100020591295_100000754839 [1,1,0,0,0,0|1,0,1]=4 492 B17R1.1375 CO[C@H](C)CNC(=O)C(C)Cc1ccccc1 240690a_100020591295_100000754839 [1,1,0,0,0,0|1,0,1]=4 493 B17R1.1375 CO[C@H](C)CNC(=O)C(C)Cc1ccccc1 527a_100020591295_100000754839 [1,1,0,0,0,0|1,0,1]=4 494 B17R1.4482 CC(Cc1ccccc1)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000754839 [1,1,0,0,0,0|1,0,0]=3 495 B17R1.4482 CC(Cc1ccccc1)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000754839 [1,1,0,0,0,0|1,0,0]=3 496 B17R1.4482 CC(Cc1ccccc1)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000754839 [1,1,0,0,0,0|1,0,0]=3 497 B17R1.4482 CC(Cc1ccccn1)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100012000792 [1,1,0,0,0,0|2,0,0]=4 498 B17R1.4482 CC(Cc1ccccn1)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100012000792 [1,1,0,0,0,0|2,0,0]=4 499 B17R1.4482 CC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000188414 [1,1,0,0,0,0|2,0,0]=4 500 B17R1.4482 CC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000188414 [1,1,0,0,0,0|2,0,0]=4 501 B17R1.4482 CC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000188414 [1,1,0,0,0,0|2,0,0]=4 502 B17R1.4482 CC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000199063 [1,1,0,0,0,0|2,0,0]=4 503 B17R1.4482 CC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000199063 [1,1,0,0,0,0|2,0,0]=4 504 B17R1.4482 CC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000199063 [1,1,0,0,0,0|2,0,0]=4 505 B17R1.4482 C[C@@H](NC(=O)N(C)Cc1ccccc1)C(=O)N 273464a_100000119354_100000186898 [1,1,0,0,0,0|2,0,0]=4 506 B17R1.4482 C[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N 240690a_100000119354_100009816399 [1,1,0,0,0,0|1,1,0]=4 507 B17R1.8310 C=C(C)CN(C)C(=O)C(C)Cc1ccccc1 11a_100000225649_100000754839 [1,1,0,0,0,0|2,0,0]=4 508 B17R1.8310 C=C(C)CN(C)C(=O)C(C)Cc1ccccc1 1626a_100000225649_100000754839 [1,1,0,0,0,0|2,0,0]=4 509 B17R1.8310 C=C(C)CN(C)C(=O)C(C)Cc1ccccc1 527a_100000225649_100000754839 [1,1,0,0,0,0|2,0,0]=4 510 B17R1.8310 CC(Cc1ccccc1)C(=O)N(C)CC(=O)N 11a_100000739694_100000754839 [1,1,0,0,0,0|1,0,0]=3 511 B17R1.8310 CC(Cc1ccccc1)C(=O)N(C)CC(=O)N 527a_100000739694_100000754839 [1,1,0,0,0,0|1,0,0]=3 512 B17R1.8310 CC(Cc1ccccn1)C(=O)N(C)CC(=O)N 527a_100000739694_100012000792 [1,1,0,0,0,0|2,0,0]=4 513 B17R1.8310 CC(O)CN(C)C(=O)C(C)Cc1ccccc1 240690a_100000227577_100000754839 [1,1,0,0,0,0|1,0,1]=4 514 B17R1.8310 CC(O)CN(C)C(=O)C(C)Cc1ccccc1 527a_100000227577_100000754839 [1,1,0,0,0,0|1,0,1]=4 515 B17R1.8310 CC(Oc1ccccc1)C(=O)N(C)CC(=O)N 11a_100000739694_100000188414 [1,1,0,0,0,0|2,0,0]=4 516 B17R1.8310 CC(Oc1ccccc1)C(=O)N(C)CC(=O)N 527a_100000739694_100000188414 [1,1,0,0,0,0|2,0,0]=4 517 B17R1.8310 CC(Sc1ccccc1)C(=O)N(C)CC(=O)N 11a_100000739694_100000199063 [1,1,0,0,0,0|2,0,0]=4 518 B17R1.8310 CC(Sc1ccccc1)C(=O)N(C)CC(=O)N 527a_100000739694_100000199063 [1,1,0,0,0,0|2,0,0]=4 519 B17R1.8994 CC(Oc1ccccc1Br)C(=O)NCC(=O)N 11a_100000711301_100000246065 [1,1,0,0,0,0|2,0,0]=4 520 B17R1.8994 CC(Oc1ccccc1Br)C(=O)NCC(=O)N 240690a_100000711301_100000246065 [1,1,0,0,0,0|2,0,0]=4 521 B17R1.8994 CC(Oc1ccccc1Br)C(=O)NCC(=O)N 527a_100000711301_100000246065 [1,1,0,0,0,0|2,0,0]=4 522 B17R1.8994 CC(Oc1ccccc1Cl)C(=O)NCC(=O)N 11a_100000711301_100000191201 [1,1,0,0,0,0|2,0,0]=4 523 B17R1.8994 CC(Oc1ccccc1Cl)C(=O)NCC(=O)N 240690a_100000711301_100000191201 [1,1,0,0,0,0|2,0,0]=4 524 B17R1.8994 CC(Oc1ccccc1Cl)C(=O)NCC(=O)N 527a_100000711301_100000191201 [1,1,0,0,0,0|2,0,0]=4 525 B17R1.8994 CC(Oc1ccccc1F)C(=O)NCC(=O)N 11a_100000711301_100000191191 [1,1,0,0,0,0|2,0,0]=4 526 B17R1.8994 CC(Oc1ccccc1F)C(=O)NCC(=O)N 240690a_100000711301_100000191191 [1,1,0,0,0,0|2,0,0]=4 527 B17R1.8994 CC(Oc1ccccc1F)C(=O)NCC(=O)N 527a_100000711301_100000191191 [1,1,0,0,0,0|2,0,0]=4 528 B17R1.8994 CC(Sc1ccccc1Cl)C(=O)NCC(=O)N 11a_100000711301_100000181065 [1,1,0,0,0,0|2,0,0]=4 529 B17R1.8994 CC(Sc1ccccc1Cl)C(=O)NCC(=O)N 240690a_100000711301_100000181065 [1,1,0,0,0,0|2,0,0]=4 530 B17R1.8994 CC(Sc1ccccc1Cl)C(=O)NCC(=O)N 527a_100000711301_100000181065 [1,1,0,0,0,0|2,0,0]=4 531 B17R1.8994 CN(Cc1ccccc1Br)C(=O)NCC(=O)N 273464a_100000711301_100000184654 [1,1,0,0,0,0|2,0,0]=4 532 B17R1.8994 CN(Cc1ccccc1Cl)C(=O)NCC(=O)N 273464a_100000711301_100000184507 [1,1,0,0,0,0|2,0,0]=4 533 B17R1.8994 CN(Cc1ccccc1F)C(=O)NCC(=O)N 273464a_100000711301_100000742528 [1,1,0,0,0,0|2,0,0]=4 534 B17R1.8994 CN(Cc1ccccc1O)C(=O)NCC(=O)N 273464a_100000711301_100015189988 [1,1,0,0,0,0|2,0,0]=4 535 B17R1.8994 Cc1ccccc1CN(C)C(=O)NCC(=O)N 273464a_100000711301_100000184421 [1,1,0,0,0,0|2,0,0]=4 536 B17R1.8994 Cc1ccccc1OC(C)C(=O)NCC(=O)N 11a_100000711301_100000189243 [1,1,0,0,0,0|2,0,0]=4 537 B17R1.8994 Cc1ccccc1OC(C)C(=O)NCC(=O)N 240690a_100000711301_100000189243 [1,1,0,0,0,0|2,0,0]=4 538 B17R1.8994 Cc1ccccc1OC(C)C(=O)NCC(=O)N 527a_100000711301_100000189243 [1,1,0,0,0,0|2,0,0]=4 539 B17R1.8994 NC(=O)CNC(=O)C(O)Cc1ccccc1Br 240690a_100000711301_100012382637 [1,1,0,0,0,0|1,1,0]=4 540 B17R1.8994 NC(=O)CNC(=O)C(O)Cc1ccccc1Cl 240690a_100000711301_100000703902 [1,1,0,0,0,0|1,1,0]=4 541 B17R1.8994 NC(=O)CNC(=O)C(O)Cc1ccccc1Cl 527a_100000711301_100000703902 [1,1,0,0,0,0|1,1,0]=4 542 B17R1.9293 CC(c1ccccc1)N(C)C(=O)NCC(=O)N 273464a_100000711301_100000195388 [1,1,0,0,0,0|2,0,0]=4 543 B17R1.14407 CC(Oc1cccc(c1)Br)C(=O)NCC(=O)N 11a_100000711301_100000246016 [1,1,0,0,0,0|2,0,0]=4 544 B17R1.14407 CC(Oc1cccc(c1)Br)C(=O)NCC(=O)N 240690a_100000711301_100000246016 [1,1,0,0,0,0|2,0,0]=4 545 B17R1.14407 CC(Oc1cccc(c1)Br)C(=O)NCC(=O)N 527a_100000711301_100000246016 [1,1,0,0,0,0|2,0,0]=4 546 B17R1.14407 CC(Oc1cccc(c1)Cl)C(=O)NCC(=O)N 11a_100000711301_100000185161 [1,1,0,0,0,0|2,0,0]=4 547 B17R1.14407 CC(Oc1cccc(c1)Cl)C(=O)NCC(=O)N 240690a_100000711301_100000185161 [1,1,0,0,0,0|2,0,0]=4 548 B17R1.14407 CC(Oc1cccc(c1)Cl)C(=O)NCC(=O)N 527a_100000711301_100000185161 [1,1,0,0,0,0|2,0,0]=4 549 B17R1.14407 CN(Cc1cccc(c1)Br)C(=O)NCC(=O)N 273464a_100000711301_100000187585 [1,1,0,0,0,0|2,0,0]=4 550 B17R1.14407 CN(Cc1cccc(c1)Cl)C(=O)NCC(=O)N 273464a_100000711301_100020629429 [1,1,0,0,0,0|2,0,0]=4 551 B17R1.14407 CN(Cc1cccc(c1)F)C(=O)NCC(=O)N 273464a_100000711301_100000184398 [1,1,0,0,0,0|2,0,0]=4 552 B17R1.14407 CN(Cc1cccc(c1)O)C(=O)NCC(=O)N 273464a_100000711301_100000207540 [1,1,0,0,0,0|2,0,0]=4 553 B17R1.14407 Cc1cccc(c1)CN(C)C(=O)NCC(=O)N 273464a_100000711301_102495364743 [1,1,0,0,0,0|2,0,0]=4 554 B17R1.14407 Cc1cccc(c1)OC(C)C(=O)NCC(=O)N 11a_100000711301_100000183885 [1,1,0,0,0,0|2,0,0]=4 555 B17R1.14407 Cc1cccc(c1)OC(C)C(=O)NCC(=O)N 240690a_100000711301_100000183885 [1,1,0,0,0,0|2,0,0]=4 556 B17R1.14407 Cc1cccc(c1)OC(C)C(=O)NCC(=O)N 527a_100000711301_100000183885 [1,1,0,0,0,0|2,0,0]=4 557 B17R1.14407 NC(=O)CNC(=O)C(O)Cc1cccc(c1)Br 240690a_100000711301_100012362086 [1,1,0,0,0,0|1,1,0]=4 558 B17R1.14407 NC(=O)CNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100000711301_200016142683 [1,1,0,0,0,0|1,1,0]=4 559 B17R1.16665 CC(Cc1ccccc1)C(=O)NCC(C)(C)O 1626a_100000751335_100000754839 [1,1,0,0,0,0|1,0,1]=4 560 B17R1.16665 CC(Cc1ccccc1)C(=O)NCC(C)(C)O 240690a_100000751335_100000754839 [1,1,0,0,0,0|1,0,1]=4 561 B17R1.16665 CC(Cc1ccccc1)C(=O)NCC(C)(C)O 527a_100000751335_100000754839 [1,1,0,0,0,0|1,0,1]=4 562 B17R1.39616 C=C(C)CNC(=O)C(C)(C)Cc1ccccc1 11a_100000765925_100000757416 [1,1,0,0,0,0|2,0,0]=4 563 B17R1.39616 C=C(C)CNC(=O)C(C)(C)Cc1ccccc1 1626a_100000765925_100000757416 [1,1,0,0,0,0|2,0,0]=4 564 B17R1.39616 C=C(C)CNC(=O)C(C)(C)Cc1ccccc1 240690a_100000765925_100000757416 [1,1,0,0,0,0|2,0,0]=4 565 B17R1.39616 C=C(C)CNC(=O)C(C)(C)Cc1ccccc1 527a_100000765925_100000757416 [1,1,0,0,0,0|2,0,0]=4 566 B17R1.39616 CC(=O)NNC(=O)C(C)(C)Cc1ccccc1 22a_100000189765_100000757416 [1,1,0,0,0,0|2,0,0]=4 567 B17R1.39616 CC(C)(Cc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000757416 [1,1,0,0,0,0|1,0,0]=3 568 B17R1.39616 CC(C)(Cc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000757416 [1,1,0,0,0,0|1,0,0]=3 569 B17R1.39616 CC(C)(Cc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000757416 [1,1,0,0,0,0|1,0,0]=3 570 B17R1.39616 CC(C)(Oc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000743201 [1,1,0,0,0,0|2,0,0]=4 571 B17R1.39616 CC(C)(Oc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000743201 [1,1,0,0,0,0|2,0,0]=4 572 B17R1.39616 CC(C)(Oc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000743201 [1,1,0,0,0,0|2,0,0]=4 573 B17R1.39616 CC(O)CNC(=O)C(C)(C)Cc1ccccc1 11a_100000210904_100000757416 [1,1,0,0,0,0|1,0,1]=4 574 B17R1.39616 CC(O)CNC(=O)C(C)(C)Cc1ccccc1 240690a_100000210904_100000757416 [1,1,0,0,0,0|1,0,1]=4 575 B17R1.39616 CC(O)CNC(=O)C(C)(C)Cc1ccccc1 527a_100000210904_100000757416 [1,1,0,0,0,0|1,0,1]=4 576 B17R1.1367 COC(=O)CNCC(CO)Cc1ccccc1 34a_100160572655_100000747449 [1,1,0,0,0,0|0,1,1]=4 577 B17R1.757 CCN[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_100000210202 [0,1,0,0,1,0|1,0,0]=3 578 B17R1.757 O=C(O)CNC(=O)[C@@H](NCF)c1ccccc1 269956a_200012352031_100015361967 [0,1,0,0,1,0|1,0,0]=3 579 B17R1.2592 CCC(C(=O)NCC(=O)N)c1ccc(cc1)Br 11a_100000711301_100011934198 [0,1,0,0,1,0|2,0,0]=4 580 B17R1.2592 CCC(C(=O)NCC(=O)N)c1ccc(cc1)Br 240690a_100000711301_100011934198 [0,1,0,0,1,0|2,0,0]=4 581 B17R1.2592 CCC(C(=O)NCC(=O)N)c1ccc(cc1)Br 527a_100000711301_100011934198 [0,1,0,0,1,0|2,0,0]=4 582 B17R1.3104 CCC(C(=O)N(C)CC(=O)N)c1ccccc1 11a_100000739694_100000211302 [0,1,0,0,1,0|2,0,0]=4 583 B17R1.3104 CCC(C(=O)N(C)CC(=O)N)c1ccccc1 527a_100000739694_100000211302 [0,1,0,0,1,0|2,0,0]=4 584 B17R1.3105 CCC(C(=O)N[C@H](C)C(=O)N)c1ccccc1 11a_100000119354_100000211302 [0,1,0,0,1,0|2,0,0]=4 585 B17R1.3105 CCC(C(=O)N[C@H](C)C(=O)N)c1ccccc1 240690a_100000119354_100000211302 [0,1,0,0,1,0|2,0,0]=4 586 B17R1.3105 CCC(C(=O)N[C@H](C)C(=O)N)c1ccccc1 527a_100000119354_100000211302 [0,1,0,0,1,0|2,0,0]=4 587 B17R1.3105 C[C@@H](NC(=O)C(CO)c1ccccc1)C(=O)N 240690a_100000119354_100011218805 [0,1,0,0,1,0|1,1,0]=4 588 B17R1.3109 CCC(C(=O)NCC(=O)N)c1ccccc1Cl 11a_100000711301_100011667493 [0,1,0,0,1,0|2,0,0]=4 589 B17R1.3109 CCC(C(=O)NCC(=O)N)c1ccccc1Cl 240690a_100000711301_100011667493 [0,1,0,0,1,0|2,0,0]=4 590 B17R1.3109 CCC(C(=O)NCC(=O)N)c1ccccc1Cl 527a_100000711301_100011667493 [0,1,0,0,1,0|2,0,0]=4 591 B17R1.6453 CCC(O)(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100011434905 [0,1,0,0,1,0|2,0,0]=4 592 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 11a_100000693194_100000211302 [0,1,0,0,1,0|2,0,0]=4 593 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 240690a_100000693194_100000211302 [0,1,0,0,1,0|2,0,0]=4 594 B17R1.9046 CCC(C(=O)NCC(=O)NC)c1ccccc1 527a_100000693194_100000211302 [0,1,0,0,1,0|2,0,0]=4 595 B17R1.9046 CCC(C(=O)NCC(=O)OC)c1ccccc1 188690a_100000185156_100000211302 [0,1,0,0,1,0|1,0,0]=3 596 B17R1.9046 CCC(C(=O)NNC(=O)CO)c1ccccc1 22a_100000189840_100000210174 [0,1,0,0,1,0|2,0,0]=4 597 B17R1.9046 CNC(=O)CNC(=O)C(CO)c1ccccc1 240690a_100000693194_100011218805 [0,1,0,0,1,0|1,1,0]=4 598 B17R1.9046 COC(=O)CNC(=O)C(CO)c1ccccc1 188690a_100000185156_100011218805 [0,1,0,0,1,0|0,1,0]=3 599 B17R1.9046 COC(=O)CNC(=O)[C@H](OC)c1ccccc1 188690a_100000185156_100000698336 [0,1,0,0,1,0|2,0,0]=4 600 B17R1.151281 CC(C)C(C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000764467 [0,1,0,0,1,0|2,0,0]=4 601 B17R1.151281 CC(C)C(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000764467 [0,1,0,0,1,0|2,0,0]=4 602 B17R1.151281 CC(C)C(C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000764467 [0,1,0,0,1,0|2,0,0]=4 603 B19R1.1192 COCC(Cc1ccccc1)NC(=O)NCC(=O)N 2708a_100000766165_100000711301 [0,1,0,0,0,1|1,1,0]=4 604 B19R1.1192 COCC(Cc1ccccc1)NC(=O)NCC(=O)N 273464a_100000711301_100000766165 [0,1,0,0,0,1|1,1,0]=4 605 B19R1.1192 COCC(Cc1ccccc1)NC(=O)NCC(=O)N 273464a_100000766165_100000711301 [0,1,0,0,0,1|1,1,0]=4 606 B19R1.1192 COCC(Cc1ccccc1)NC(=O)NCC(=O)N 512a_100000766165_100000711301 [0,1,0,0,0,1|1,1,0]=4 607 B19R1.10657 CCN(CC(=O)NCC(=O)OC)Cc1ccccc1 2230a_100000186914_100000182966 [0,1,0,0,0,1|2,0,0]=4 608 B19R1.10657 CCN(CC(=O)NCC(=O)OC)Cc1ccccc1 269982a_100000186914_100000182966 [0,1,0,0,0,1|2,0,0]=4 609 B19R1.10657 CNC(=O)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000693194_100000739027 [0,1,0,0,0,1|1,1,0]=4 610 B19R1.10657 CNC(=O)CNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000693194 [0,1,0,0,0,1|1,1,0]=4 611 B19R1.10657 COC(=O)CCC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100000187943 [0,1,0,0,0,1|1,1,0]=4 612 B19R1.10657 COC(=O)CCC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100000187943 [0,1,0,0,0,1|1,1,0]=4 613 B19R1.33146 NC(=O)CNC(=O)NC(CO)Cc1ccc(cc1)Cl 273464a_100000711301_100025702442 [0,1,0,0,0,1|1,1,0]=4 614 B19R1.33146 NC(=O)CNC(=O)NC(CO)Cc1ccc(cc1)Cl 273464a_100025702442_100000711301 [0,1,0,0,0,1|1,1,0]=4 615 B19R1.33543 Cc1cccc(c1)CC(CO)NC(=O)NCC(=O)N 273464a_100000711301_100000716799 [0,1,0,0,0,1|1,1,0]=4 616 B19R1.33543 Cc1cccc(c1)CC(CO)NC(=O)NCC(=O)N 273464a_100000716799_100000711301 [0,1,0,0,0,1|1,1,0]=4 617 B19R1.33543 NC(=O)CNC(=O)NC(CO)Cc1cccc(c1)Br 273464a_100000711301_114802770106 [0,1,0,0,0,1|1,1,0]=4 618 B19R1.33543 NC(=O)CNC(=O)NC(CO)Cc1cccc(c1)Br 273464a_114802770106_100000711301 [0,1,0,0,0,1|1,1,0]=4 619 B19R1.33543 NC(=O)CNC(=O)NC(CO)Cc1cccc(c1)Br 512a_114802770106_100000711301 [0,1,0,0,0,1|1,1,0]=4 620 B19R1.33543 NC(=O)CNC(=O)NC(CO)Cc1cccc(c1)F 273464a_100000711301_200012000099 [0,1,0,0,0,1|1,1,0]=4 621 B19R1.33543 NC(=O)CNC(=O)NC(CO)Cc1cccc(c1)F 273464a_200012000099_100000711301 [0,1,0,0,0,1|1,1,0]=4 622 B19R1.33543 NC(=O)CNC(=O)NC(CO)Cc1cccc(c1)F 512a_200012000099_100000711301 [0,1,0,0,0,1|1,1,0]=4 623 B19R1.33902 CN(C(=O)NCC(=O)N)[C@H](CO)Cc1ccccc1 273464a_100000711301_100016995599 [0,1,0,0,0,1|1,1,0]=4 624 B19R1.33910 NC(=O)CNC(=O)NC(CO)Cc1ccccc1Cl 273464a_100000711301_100012001541 [0,1,0,0,0,1|1,1,0]=4 625 B19R1.33910 NC(=O)CNC(=O)NC(CO)Cc1ccccc1Cl 273464a_100012001541_100000711301 [0,1,0,0,0,1|1,1,0]=4 626 B19R1.33936 CN(CC(=O)N)C(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000739694 [0,1,0,0,0,1|1,1,0]=4 627 B19R1.33937 C[C@@H](NC(=O)NC(CO)Cc1ccccc1)C(=O)N 273464a_100000119354_100000739027 [0,1,0,0,0,1|1,1,0]=4 628 B19R1.33937 C[C@@H](NC(=O)NC(CO)Cc1ccccc1)C(=O)N 273464a_100000739027_100000119354 [0,1,0,0,0,1|1,1,0]=4 629 B19R1.33937 C[C@@H](NC(=O)NC(CO)Cc1ccccc1)C(=O)N 512a_100000119354_100000739027 [0,1,0,0,0,1|1,1,0]=4 630 B19R1.49134 CC(C)C(SCc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000750527 [0,1,0,0,0,1|2,0,0]=4 631 B19R1.49134 CC(C)C(SCc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000750527 [0,1,0,0,0,1|2,0,0]=4 632 B19R1.49134 CC(C)C(SCc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000750527 [0,1,0,0,0,1|2,0,0]=4 633 B19R1.33539 CCN(Cc1cccc(c1)F)C(=O)CNCC(=O)O 269956a_100016091260_100000230113 [0,1,0,0,0,1|2,0,0]=4 634 B19R1.33911 CCN(Cc1ccccc1)C(=O)CN(C)CC(=O)O 269956a_100000746989_100000183411 [0,1,0,0,0,1|2,0,0]=4 635 B19R1.33912 CCN(Cc1ccccc1)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183411 [0,1,0,0,0,1|2,0,0]=4 636 B19R1.46308 CCC(Oc1ccccc1)C(=O)NCCC(=O)OC 188690a_100000683876_100000211556 [0,1,0,0,0,1|2,0,0]=4 637 B19R1.46308 CCC(Sc1ccccc1)C(=O)NCCC(=O)OC 188690a_100000683876_100000230495 [0,1,0,0,0,1|2,0,0]=4 638 B19R1.46308 COC(=O)CCNC(=O)C(C#N)Cc1ccccc1 188690a_100000683876_100000075392 [0,1,0,0,0,1|1,0,1]=4 639 B19R1.60017 O=C(O)CNCC(=O)N(CCO)Cc1ccccc1 269956a_100016091260_200011379180 [0,1,0,0,0,1|1,1,0]=4 640 B19R1.4633 C#CCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100000038162 [0,2,0,0,0,0|2,0,0]=4 641 B19R1.4633 C=CCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100000210623 [0,2,0,0,0,0|2,0,0]=4 642 B19R1.4633 CCCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100000210303 [0,2,0,0,0,0|2,0,0]=4 643 B19R1.4633 COCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100000766300 [0,2,0,0,0,0|1,1,0]=4 644 B19R1.4633 CSCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100011218213 [0,2,0,0,0,0|1,0,0]=3 645 B19R1.4633 N#CCN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100011215382 [0,2,0,0,0,0|2,0,0]=4 646 B19R1.4633 NC(=O)CNC(=O)[C@H](Cc1ccccc1)NCC=O 2230a_206633780063_200015260668 [0,2,0,0,0,0|1,1,0]=4 647 B19R1.4633 NC(=O)CNC(=O)[C@H](Cc1ccccc1)NCCF 2230a_206633780063_100011217306 [0,2,0,0,0,0|2,0,0]=4 648 B19R1.4633 NC(=O)CNC(=O)[C@H](Cc1ccccc1)NCCO 2230a_206633780063_100000211926 [0,2,0,0,0,0|1,1,0]=4 649 B19R1.161069 CC(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N 2230a_206633780063_100000210206 [0,2,0,0,0,0|2,0,0]=4 650 B19R1.50833 CCC(Oc1ccc(cc1)C)C(=O)NCC(=O)OC 188690a_100000185156_100000216147 [0,2,0,0,0,0|2,0,0]=4 651 B19R1.50833 CCC(Oc1ccc(cc1)Cl)C(=O)NCC(=O)OC 188690a_100000185156_200000205294 [0,2,0,0,0,0|2,0,0]=4 652 B19R1.50833 CCC(Oc1ccc(cc1)F)C(=O)NCC(=O)OC 188690a_100000185156_100011202367 [0,2,0,0,0,0|2,0,0]=4 653 B19R1.37767 CCC(Oc1ccccc1)C(=O)N(C)CC(=O)OC 11a_100000198492_100000211556 [0,2,0,0,0,0|2,0,0]=4 654 B19R1.37767 CCC(Oc1ccccc1)C(=O)N(C)CC(=O)OC 1626a_100000198492_100000211556 [0,2,0,0,0,0|2,0,0]=4 655 B19R1.37767 CCC(Oc1ccccc1)C(=O)N(C)CC(=O)OC 240690a_100000198492_100000211556 [0,2,0,0,0,0|2,0,0]=4 656 B19R1.37767 CCC(Oc1ccccc1)C(=O)N(C)CC(=O)OC 527a_100000198492_100000211556 [0,2,0,0,0,0|2,0,0]=4 657 B19R1.37767 CCC(Sc1ccccc1)C(=O)N(C)CC(=O)OC 11a_100000198492_100000230495 [0,2,0,0,0,0|2,0,0]=4 658 B19R1.37767 CCC(Sc1ccccc1)C(=O)N(C)CC(=O)OC 1626a_100000198492_100000230495 [0,2,0,0,0,0|2,0,0]=4 659 B19R1.37767 CCC(Sc1ccccc1)C(=O)N(C)CC(=O)OC 240690a_100000198492_100000230495 [0,2,0,0,0,0|2,0,0]=4 660 B19R1.37767 CCC(Sc1ccccc1)C(=O)N(C)CC(=O)OC 527a_100000198492_100000230495 [0,2,0,0,0,0|2,0,0]=4 661 B19R1.37767 COC(=O)CN(C)C(=O)C(C#N)Cc1ccccc1 11a_100000198492_100000075392 [0,2,0,0,0,0|1,0,1]=4 662 B19R1.37767 COC(=O)CN(C)C(=O)C(C#N)Cc1ccccc1 1626a_100000198492_100000075392 [0,2,0,0,0,0|1,0,1]=4 663 B19R1.37767 COC(=O)CN(C)C(=O)C(C#N)Cc1ccccc1 240690a_100000198492_100000075392 [0,2,0,0,0,0|1,0,1]=4 664 B19R1.37767 COC(=O)CN(C)C(=O)C(C#N)Cc1ccccc1 527a_100000198492_100000075392 [0,2,0,0,0,0|1,0,1]=4 665 B19R1.62957 CCC(Oc1ccccc1)C(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000211556 [0,2,0,0,0,0|2,0,0]=4 666 B19R1.62957 CCC(Sc1ccccc1)C(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000230495 [0,2,0,0,0,0|2,0,0]=4 667 B19R1.62957 COC(=O)[C@@H](C)NC(=O)C(C#N)Cc1ccccc1 188690a_100000687819_100000075392 [0,2,0,0,0,0|1,0,1]=4 668 B19R1.446477 CCC(Oc1ccccc1Cl)C(=O)NCC(=O)OC 188690a_100000185156_100000205292 [0,2,0,0,0,0|2,0,0]=4 669 B19R1.50801 COC(=O)CNC(=O)C(Sc1ccccc1)C(C)C 188690a_100000185156_100000750438 [0,2,0,0,0,0|2,0,0]=4 670 B19R1.50801 COC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C 188690a_100000185156_102495365803 [0,2,0,0,0,0|2,0,0]=4 671 B19R1.58604 CCOC(=O)CNC(=O)C(C#N)Cc1ccccc1 188690a_100000741813_100000075392 [0,2,0,0,0,0|1,0,1]=4 672 B19R1.58604 CCOC(=O)CNC(=O)C(CC)Oc1ccccc1 188690a_100000741813_100000211556 [0,2,0,0,0,0|2,0,0]=4 673 B19R1.58604 CCOC(=O)CNC(=O)C(CC)Sc1ccccc1 188690a_100000741813_100000230495 [0,2,0,0,0,0|2,0,0]=4 674 B17R2.2104 C=CCNC(=O)C1CCc2ccccc2C1 1626a_100020586998_100011217706 [1,0,0,1,0,0|2,0,0]=4 675 B17R2.2104 C=CCNC(=O)C1CCc2ccccc2C1 240690a_100020586998_100011217706 [1,0,0,1,0,0|2,0,0]=4 676 B17R2.2104 C=CCNC(=O)C1CCc2ccccc2C1 527a_100020586998_100011217706 [1,0,0,1,0,0|2,0,0]=4 677 B17R2.2104 C=CCNC(=O)C1COc2ccccc2C1 1626a_100020586998_100000203760 [1,0,0,1,0,0|1,1,0]=4 678 B17R2.2104 C=CCNC(=O)C1COc2ccccc2C1 240690a_100020586998_100000203760 [1,0,0,1,0,0|1,1,0]=4 679 B17R2.2104 C=CCNC(=O)C1COc2ccccc2C1 527a_100020586998_100000203760 [1,0,0,1,0,0|1,1,0]=4 680 B17R2.2104 O=C(NCCO)C1CCc2ccccc2C1 240690a_100000210304_100011217706 [1,0,0,1,0,0|1,0,1]=4 681 B17R2.2104 O=C(NCCO)C1CCc2ccccc2C1 527a_100000210304_100011217706 [1,0,0,1,0,0|1,0,1]=4 682 B17R2.2104 O=C(NCCO)C1COc2ccccc2C1 240690a_100000210304_100000203760 [1,0,0,1,0,0|0,1,1]=4 683 B17R2.2104 O=C(NCCO)C1COc2ccccc2C1 527a_100000210304_100000203760 [1,0,0,1,0,0|0,1,1]=4 684 B17R2.4007 CC(Cc1ccccc1)C(=O)N2CC(C2)O 11a_100000749847_100000754839 [1,0,0,1,0,0|1,0,1]=4 685 B17R2.4007 CC(Cc1ccccc1)C(=O)N2CC(C2)O 240690a_100000749847_100000754839 [1,0,0,1,0,0|1,0,1]=4 686 B17R2.4007 CC(Cc1ccccc1)C(=O)N2CC(C2)O 527a_100000749847_100000754839 [1,0,0,1,0,0|1,0,1]=4 687 B17R2.4007 CC(Cc1ccccc1)C(=O)[C@@H]2CC(=O)N2 1458a_100016090685_200011218536 [1,0,0,1,0,0|2,0,0]=4 688 B17R2.10098 C=C(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000765925_100009815801 [1,0,0,1,0,0|2,0,0]=4 689 B17R2.10098 C=C(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000765925_100009815801 [1,0,0,1,0,0|2,0,0]=4 690 B17R2.10098 C=C(C)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000765925_100009815801 [1,0,0,1,0,0|2,0,0]=4 691 B17R2.10098 CC(=O)NNC(=O)[C@@H]1C[C@H]1c2ccccc2 22a_100000189765_100009815801 [1,0,0,1,0,0|2,0,0]=4 692 B17R2.10098 CC(O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000210904_100009815801 [1,0,0,1,0,0|1,0,1]=4 693 B17R2.10098 CC(O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000210904_100009815801 [1,0,0,1,0,0|1,0,1]=4 694 B17R2.10098 CC(O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000210904_100009815801 [1,0,0,1,0,0|1,0,1]=4 695 B17R2.10098 NC(=O)CNC(=O)C1CC1c2cccnc2 11a_100000711301_100000746292 [1,0,0,1,0,0|2,0,0]=4 696 B17R2.10098 NC(=O)CNC(=O)C1CC1c2cccnc2 240690a_100000711301_100000746292 [1,0,0,1,0,0|2,0,0]=4 697 B17R2.10098 NC(=O)CNC(=O)C1CC1c2cccnc2 527a_100000711301_100000746292 [1,0,0,1,0,0|2,0,0]=4 698 B17R2.10098 NC(=O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100000711301_100009815801 [1,0,0,1,0,0|1,0,0]=3 699 B17R2.10098 NC(=O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100000711301_100009815801 [1,0,0,1,0,0|1,0,0]=3 700 B17R2.10098 NC(=O)CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100000711301_100009815801 [1,0,0,1,0,0|1,0,0]=3 701 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2C1 11a_100000765925_100000685393 [1,0,0,1,0,0|2,0,0]=4 702 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2C1 1626a_100000765925_100000685393 [1,0,0,1,0,0|2,0,0]=4 703 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2C1 240690a_100000765925_100000685393 [1,0,0,1,0,0|2,0,0]=4 704 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2C1 527a_100000765925_100000685393 [1,0,0,1,0,0|2,0,0]=4 705 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2S1 11a_100000765925_100000024912 [1,0,0,1,0,0|2,0,0]=4 706 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2S1 1626a_100000765925_100000024912 [1,0,0,1,0,0|2,0,0]=4 707 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2S1 240690a_100000765925_100000024912 [1,0,0,1,0,0|2,0,0]=4 708 B17R2.10110 C=C(C)CNC(=O)C1Cc2ccccc2S1 527a_100000765925_100000024912 [1,0,0,1,0,0|2,0,0]=4 709 B17R2.10110 CC(=O)NNC(=O)C1Cc2ccccc2C1 22a_100000189765_100000685393 [1,0,0,1,0,0|2,0,0]=4 710 B17R2.10110 CC(=O)NNC(=O)C1Cc2ccccc2S1 22a_100000189765_100000024912 [1,0,0,1,0,0|2,0,0]=4 711 B17R2.10110 CC(O)CNC(=O)C1Cc2ccccc2C1 11a_100000210904_100000685393 [1,0,0,1,0,0|1,0,1]=4 712 B17R2.10110 CC(O)CNC(=O)C1Cc2ccccc2C1 240690a_100000210904_100000685393 [1,0,0,1,0,0|1,0,1]=4 713 B17R2.10110 CC(O)CNC(=O)C1Cc2ccccc2C1 527a_100000210904_100000685393 [1,0,0,1,0,0|1,0,1]=4 714 B17R2.10110 CC(O)CNC(=O)C1Cc2ccccc2S1 11a_100000210904_100000024912 [1,0,0,1,0,0|1,0,1]=4 715 B17R2.10110 CC(O)CNC(=O)C1Cc2ccccc2S1 240690a_100000210904_100000024912 [1,0,0,1,0,0|1,0,1]=4 716 B17R2.10110 CC(O)CNC(=O)C1Cc2ccccc2S1 527a_100000210904_100000024912 [1,0,0,1,0,0|1,0,1]=4 717 B17R2.10110 NC(=O)CCC(=O)C1Cc2ccccc2C1 1458a_100011215257_100000753484 [1,0,0,1,0,0|2,0,0]=4 718 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2C1 11a_100000711301_100000685393 [1,0,0,1,0,0|1,0,0]=3 719 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2C1 240690a_100000711301_100000685393 [1,0,0,1,0,0|1,0,0]=3 720 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2C1 527a_100000711301_100000685393 [1,0,0,1,0,0|1,0,0]=3 721 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2O1 11a_100000711301_100000209886 [1,0,0,1,0,0|1,1,0]=4 722 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2O1 240690a_100000711301_100000209886 [1,0,0,1,0,0|1,1,0]=4 723 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2O1 527a_100000711301_100000209886 [1,0,0,1,0,0|1,1,0]=4 724 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2S1 11a_100000711301_100000024912 [1,0,0,1,0,0|1,0,0]=3 725 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2S1 240690a_100000711301_100000024912 [1,0,0,1,0,0|1,0,0]=3 726 B17R2.10110 NC(=O)CNC(=O)C1Cc2ccccc2S1 527a_100000711301_100000024912 [1,0,0,1,0,0|1,0,0]=3 727 B17R2.10110 NC(=O)CNC(=O)N1Cc2ccccc2C1 273464a_100000711301_100000752595 [1,0,0,1,0,0|2,0,0]=4 728 B17R2.38353 CC(=O)CN1C(=O)N(Cc2c1cccc2)C 1458a_100000239466_200000210301 [1,0,0,1,0,0|2,0,0]=4 729 B17R2.38353 CN1Cc2ccccc2N(C1=O)CC(=O)[13CH3] 1458a_100000239466_200025704644 [1,0,0,1,0,0|2,0,0]=4 730 B17R2.18967 NC(=O)CC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000187820 [0,0,0,1,1,0|2,0,0]=4 731 B17R2.18967 NC(=O)CC(=O)C1COc2ccccc2C1 1458a_100000203760_100000187820 [0,0,0,1,1,0|1,1,0]=4 732 B17R2.18967 O=C([O-])CC(=O)C1CCc2ccccc2C1 1458a_100011217706_100020667443 [0,0,0,1,1,0|1,0,1]=4 733 B17R2.18967 O=C([O-])CC(=O)C1COc2ccccc2C1 1458a_100000203760_100020667443 [0,0,0,1,1,0|0,1,1]=4 734 B17R2.877 NC(=O)CNC(=O)C1CCc2c1cccc2 11a_100000711301_100000750891 [0,0,0,1,1,0|2,0,0]=4 735 B17R2.877 NC(=O)CNC(=O)C1CCc2c1cccc2 240690a_100000711301_100000750891 [0,0,0,1,1,0|2,0,0]=4 736 B17R2.877 NC(=O)CNC(=O)C1CCc2c1cccc2 527a_100000711301_100000750891 [0,0,0,1,1,0|2,0,0]=4 737 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccc2 11a_100000711301_100000211650 [0,0,0,1,1,0|2,0,0]=4 738 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccc2 240690a_100000711301_100000211650 [0,0,0,1,1,0|2,0,0]=4 739 B17R2.10114 NC(=O)CNC(=O)C1(CC1)c2ccccc2 527a_100000711301_100000211650 [0,0,0,1,1,0|2,0,0]=4 740 B19R2.112274 NC(=O)CNC(=O)NC1CCc2ccccc2C1 2708a_100000748446_100000711301 [0,0,0,1,0,1|2,0,0]=4 741 B19R2.112274 NC(=O)CNC(=O)NC1CCc2ccccc2C1 273464a_100000711301_100000748446 [0,0,0,1,0,1|2,0,0]=4 742 B19R2.112274 NC(=O)CNC(=O)NC1CCc2ccccc2C1 273464a_100000748446_100000711301 [0,0,0,1,0,1|2,0,0]=4 743 B19R2.112274 NC(=O)CNC(=O)NC1CCc2ccccc2C1 512a_100000748446_100000711301 [0,0,0,1,0,1|2,0,0]=4 744 B19R2.112274 NC(=O)CNC(=O)NC1COc2ccccc2C1 2708a_100000739546_100000711301 [0,0,0,1,0,1|1,1,0]=4 745 B19R2.112274 NC(=O)CNC(=O)NC1COc2ccccc2C1 273464a_100000711301_100000739546 [0,0,0,1,0,1|1,1,0]=4 746 B19R2.112274 NC(=O)CNC(=O)NC1COc2ccccc2C1 273464a_100000739546_100000711301 [0,0,0,1,0,1|1,1,0]=4 747 B19R2.112274 NC(=O)CNC(=O)NC1COc2ccccc2C1 512a_100000739546_100000711301 [0,0,0,1,0,1|1,1,0]=4 748 B19R2.2773 NC(=O)CNC(=O)[C@@H]1CSC(=N1)c2ccccc2 240690a_100000711301_100015766343 [0,0,0,1,0,1|1,0,1]=4 749 B19R2.62346 O=C(O)CNC1CCN(C1=O)Cc2ccccc2 269956a_100016091260_100011875758 [0,0,0,1,0,1|2,0,0]=4 750 B19R2.112185 NC(=O)CCNC(=O)C1CCc2ccccc2C1 11a_100000740010_100011217706 [0,0,0,1,0,1|2,0,0]=4 751 B19R2.112185 NC(=O)CCNC(=O)C1CCc2ccccc2C1 240690a_100000740010_100011217706 [0,0,0,1,0,1|2,0,0]=4 752 B19R2.112185 NC(=O)CCNC(=O)C1CCc2ccccc2C1 527a_100000740010_100011217706 [0,0,0,1,0,1|2,0,0]=4 753 B19R2.112185 NC(=O)CCNC(=O)C1COc2ccccc2C1 11a_100000740010_100000203760 [0,0,0,1,0,1|1,1,0]=4 754 B19R2.112185 NC(=O)CCNC(=O)C1COc2ccccc2C1 240690a_100000740010_100000203760 [0,0,0,1,0,1|1,1,0]=4 755 B19R2.112185 NC(=O)CCNC(=O)C1COc2ccccc2C1 527a_100000740010_100000203760 [0,0,0,1,0,1|1,1,0]=4 756 B19R2.112185 O=C(O)CNCC(=O)N1CCc2ccccc2C1 269956a_100016091260_100000733430 [0,0,0,1,0,1|2,0,0]=4 757 B19R2.2777 NC(=O)CNC(=O)N1CCSC1c2ccccc2 273464a_100000711301_100000215944 [0,1,0,1,0,0|2,0,0]=4 758 B19R2.48405 NC(=O)CNC(=O)C1CCc2ccc(cc2C1)O 240690a_100000711301_100000087082 [0,1,0,1,0,0|2,0,0]=4 759 B19R2.48405 NC(=O)CNC(=O)C1CCc2ccc(cc2C1)O 527a_100000711301_100000087082 [0,1,0,1,0,0|2,0,0]=4 760 B19R2.112051 CN(CC(=O)N)C(=O)C1CCc2ccccc2C1 11a_100000739694_100011217706 [0,1,0,1,0,0|2,0,0]=4 761 B19R2.112051 CN(CC(=O)N)C(=O)C1CCc2ccccc2C1 527a_100000739694_100011217706 [0,1,0,1,0,0|2,0,0]=4 762 B19R2.112051 CN(CC(=O)N)C(=O)C1COc2ccccc2C1 11a_100000739694_100000203760 [0,1,0,1,0,0|1,1,0]=4 763 B19R2.112051 CN(CC(=O)N)C(=O)C1COc2ccccc2C1 527a_100000739694_100000203760 [0,1,0,1,0,0|1,1,0]=4 764 B19R2.112009 C[C@@H](NC(=O)C1CCc2ccccc2C1)C(=O)N 11a_100000119354_100011217706 [0,1,0,1,0,0|2,0,0]=4 765 B19R2.112009 C[C@@H](NC(=O)C1CCc2ccccc2C1)C(=O)N 240690a_100000119354_100011217706 [0,1,0,1,0,0|2,0,0]=4 766 B19R2.112009 C[C@@H](NC(=O)C1CCc2ccccc2C1)C(=O)N 527a_100000119354_100011217706 [0,1,0,1,0,0|2,0,0]=4 767 B19R2.112009 C[C@@H](NC(=O)C1COc2ccccc2C1)C(=O)N 11a_100000119354_100000203760 [0,1,0,1,0,0|1,1,0]=4 768 B19R2.112009 C[C@@H](NC(=O)C1COc2ccccc2C1)C(=O)N 240690a_100000119354_100000203760 [0,1,0,1,0,0|1,1,0]=4 769 B19R2.112009 C[C@@H](NC(=O)C1COc2ccccc2C1)C(=O)N 527a_100000119354_100000203760 [0,1,0,1,0,0|1,1,0]=4 770 B19R2.50752 CNC(=O)CNC(=O)C1CCc2ccccc2C1 11a_100000693194_100011217706 [0,1,0,1,0,0|2,0,0]=4 771 B19R2.50752 CNC(=O)CNC(=O)C1CCc2ccccc2C1 240690a_100000693194_100011217706 [0,1,0,1,0,0|2,0,0]=4 772 B19R2.50752 CNC(=O)CNC(=O)C1CCc2ccccc2C1 527a_100000693194_100011217706 [0,1,0,1,0,0|2,0,0]=4 773 B19R2.50752 CNC(=O)CNC(=O)C1COc2ccccc2C1 11a_100000693194_100000203760 [0,1,0,1,0,0|1,1,0]=4 774 B19R2.50752 CNC(=O)CNC(=O)C1COc2ccccc2C1 240690a_100000693194_100000203760 [0,1,0,1,0,0|1,1,0]=4 775 B19R2.50752 CNC(=O)CNC(=O)C1COc2ccccc2C1 527a_100000693194_100000203760 [0,1,0,1,0,0|1,1,0]=4 776 B19R2.50752 COC(=O)CNC(=O)C1CCc2ccccc2C1 188690a_100000185156_100011217706 [0,1,0,1,0,0|1,0,0]=3 777 B19R2.50752 COC(=O)CNC(=O)C1CCc2ccccc2O1 188690a_100000185156_100000065239 [0,1,0,1,0,0|2,0,0]=4 778 B19R2.50752 COC(=O)CNC(=O)C1COc2ccccc2C1 188690a_100000185156_100000203760 [0,1,0,1,0,0|0,1,0]=3 779 B19R2.50752 COC(=O)CNC(=O)C1COc2ccccc2O1 188690a_100000185156_100000182656 [0,1,0,1,0,0|1,1,0]=4 780 B19R2.50752 COC(=O)CNC(=O)C1Cc2ccccc2CO1 188690a_100000185156_100009880028 [0,1,0,1,0,0|2,0,0]=4 781 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 1626a_100020586998_100000211302 [1,0,0,0,1,0|2,0,0]=4 782 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 240690a_100020586998_100000211302 [1,0,0,0,1,0|2,0,0]=4 783 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 527a_100020586998_100000211302 [1,0,0,0,1,0|2,0,0]=4 784 B15R1.1215 C=CCNC(=O)C(CO)c1ccccc1 240690a_100020586998_100011218805 [1,0,0,0,1,0|1,1,0]=4 785 B15R1.1215 CCC(C(=O)NCCO)c1ccccc1 240690a_100000210304_100000211302 [1,0,0,0,1,0|1,0,1]=4 786 B15R1.1215 CCC(C(=O)NCCO)c1ccccc1 527a_100000210304_100000211302 [1,0,0,0,1,0|1,0,1]=4 787 B15R1.1215 O=C(NCCO)C(CO)c1ccccc1 240690a_100000210304_100011218805 [1,0,0,0,1,0|0,1,1]=4 788 B15R1.496 C=C(C)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000748629 [1,0,0,0,1,0|2,0,0]=4 789 B15R1.496 C=C(F)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100009893438 [1,0,0,0,1,0|2,0,0]=4 790 B15R1.496 CC(=O)CC(=O)N(C)Cc1ccccc1 1458a_100000070787_100000182870 [1,0,0,0,1,0|2,0,0]=4 791 B15R1.496 CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100000754839_100000187820 [1,0,0,0,1,0|1,0,0]=3 792 B15R1.496 CC(Cc1ccccc1)C(=O)CC(=O)N 1458a_100134613110_200011218536 [1,0,0,0,1,0|1,0,0]=3 793 B15R1.496 CC(Cc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000754839_100020667443 [1,0,0,0,1,0|0,0,1]=3 794 B15R1.496 CC(Cc1ccccc1)C(=O)C[C@@H](C)O 1458a_100011933948_200011218536 [1,0,0,0,1,0|1,0,1]=4 795 B15R1.496 CC(Cc1ccccc1)C(=O)C[N+](=O)[O-] 1458a_100000754839_100000761209 [1,0,0,0,1,0|1,0,1]=4 796 B15R1.496 CC(Cc1ccccc1)N(C)CC(=O)O 269956a_100000746989_200011218536 [1,0,0,0,1,0|2,0,0]=4 797 B15R1.496 CC(Cc1ccccn1)C(=O)CC(=O)N 1458a_100012000792_100000187820 [1,0,0,0,1,0|2,0,0]=4 798 B15R1.496 CC(Cc1ccccn1)C(=O)CC(=O)[O-] 1458a_100012000792_100020667443 [1,0,0,0,1,0|1,0,1]=4 799 B15R1.496 CC(O)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011218427 [1,0,0,0,1,0|1,0,1]=4 800 B15R1.496 CC(Oc1ccccc1)C(=O)CC(=O)N 1458a_100000188414_100000187820 [1,0,0,0,1,0|2,0,0]=4 801 B15R1.496 CC(Oc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000188414_100020667443 [1,0,0,0,1,0|1,0,1]=4 802 B15R1.496 CC(Oc1ccccc1)C(=O)NC(=O)N 7a_100000210340_100000183865 [1,0,0,0,1,0|2,0,0]=4 803 B15R1.496 CC(Sc1ccccc1)C(=O)CC(=O)N 1458a_100000199063_100000187820 [1,0,0,0,1,0|2,0,0]=4 804 B15R1.496 CC(Sc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000199063_100020667443 [1,0,0,0,1,0|1,0,1]=4 805 B15R1.496 CC(Sc1ccccc1)C(=O)NC(=O)N 62a_100000183865_100000041952 [1,0,0,0,1,0|2,0,0]=4 806 B15R1.496 CC(Sc1ccccc1)C(=O)NC(=O)N 62a_100000719477_100000183865 [1,0,0,0,1,0|2,0,0]=4 807 B15R1.496 CN(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000186898_100134613110 [1,0,0,0,1,0|2,0,0]=4 808 B15R1.496 CN(Cc1ccccc1)C(=O)CC(=O)N 527a_100000186898_100134613110 [1,0,0,0,1,0|2,0,0]=4 809 B15R1.496 NC(=O)CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000187820 [1,0,0,0,1,0|1,1,0]=4 810 B15R1.496 O=C([O-])CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100020667443 [1,0,0,0,1,0|0,1,1]=4 811 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 11a_100000765925_100000751047 [1,0,0,0,1,0|2,0,0]=4 812 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 1626a_100000765925_100000751047 [1,0,0,0,1,0|2,0,0]=4 813 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 240690a_100000765925_100000751047 [1,0,0,0,1,0|2,0,0]=4 814 B15R1.1078 C=C(C)CNC(=O)[C@@H](C)c1ccccc1 527a_100000765925_100000751047 [1,0,0,0,1,0|2,0,0]=4 815 B15R1.1078 CC(=O)NNC(=O)[C@@H](C)c1ccccc1 22a_100000189765_100000751047 [1,0,0,0,1,0|2,0,0]=4 816 B15R1.1078 CC(C(=O)CCC(=O)N)c1ccccc1 1458a_100011215257_100000230085 [1,0,0,0,1,0|2,0,0]=4 817 B15R1.1078 CC(C(=O)NCC(=O)N)c1ccccn1 11a_100000711301_100000722050 [1,0,0,0,1,0|2,0,0]=4 818 B15R1.1078 CC(C(=O)NCC(=O)N)c1ccccn1 240690a_100000711301_100000722050 [1,0,0,0,1,0|2,0,0]=4 819 B15R1.1078 CC(C(=O)NCC(=O)N)c1ccccn1 527a_100000711301_100000722050 [1,0,0,0,1,0|2,0,0]=4 820 B15R1.1078 CC(O)CNC(=O)[C@@H](C)c1ccccc1 11a_100000210904_100000751047 [1,0,0,0,1,0|1,0,1]=4 821 B15R1.1078 CC(O)CNC(=O)[C@@H](C)c1ccccc1 240690a_100000210904_100000751047 [1,0,0,0,1,0|1,0,1]=4 822 B15R1.1078 CC(O)CNC(=O)[C@@H](C)c1ccccc1 527a_100000210904_100000751047 [1,0,0,0,1,0|1,0,1]=4 823 B15R1.1078 C[C@H](C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000751047 [1,0,0,0,1,0|1,0,0]=3 824 B15R1.1078 C[C@H](C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000751047 [1,0,0,0,1,0|1,0,0]=3 825 B15R1.1078 C[C@H](C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000751047 [1,0,0,0,1,0|1,0,0]=3 826 B15R1.1078 NC(=O)CNC(=O)C(F)c1ccccc1 11a_100000711301_100000698975 [1,0,0,0,1,0|2,0,0]=4 827 B15R1.1078 NC(=O)CNC(=O)C(F)c1ccccc1 240690a_100000711301_100000698975 [1,0,0,0,1,0|2,0,0]=4 828 B15R1.1078 NC(=O)CNC(=O)C(F)c1ccccc1 527a_100000711301_100000698975 [1,0,0,0,1,0|2,0,0]=4 829 B15R1.1078 NC(=O)CNC(=O)[C@H](O)c1ccccc1 240690a_100000711301_100000684486 [1,0,0,0,1,0|1,1,0]=4 830 B15R1.4008 N#CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_100000183401 [1,0,0,0,1,0|1,0,1]=4 831 B15R1.4008 NC(=O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000747473 [1,0,0,0,1,0|1,1,0]=4 832 B15R1.1350 CCC(C(=O)CC(=O)N)c1ccccc1 1458a_100000211302_100000187820 [0,0,0,0,2,0|2,0,0]=4 833 B15R1.1350 CCC(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211302_100020667443 [0,0,0,0,2,0|1,0,1]=4 834 B15R1.1350 NC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000187820 [0,0,0,0,2,0|1,1,0]=4 835 B15R1.1350 O=C([O-])CC(=O)C(CO)c1ccccc1 1458a_100011218805_100020667443 [0,0,0,0,2,0|0,1,1]=4 836 B17R1.1563 C=CCNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100020586998 [1,0,0,0,0,1|1,1,0]=4 837 B17R1.1563 C=CCNC(=O)NC(CO)Cc1ccccc1 273464a_100020586998_100000739027 [1,0,0,0,0,1|1,1,0]=4 838 B17R1.1563 C=CCNC(=O)NC(CO)Cc1ccccc1 512a_100020586998_100000739027 [1,0,0,0,0,1|1,1,0]=4 839 B17R1.1563 O=C(NCCO)NC(CO)Cc1ccccc1 273464a_100000210304_100000739027 [1,0,0,0,0,1|0,1,1]=4 840 B17R1.1563 O=C(NCCO)NC(CO)Cc1ccccc1 273464a_100000739027_100000210304 [1,0,0,0,0,1|0,1,1]=4 841 B17R1.5005 CC(=O)CCC(=O)NC(C)Cc1ccccc1 1458a_100000070787_200011792965 [1,0,0,0,0,1|2,0,0]=4 842 B17R1.5005 CC(Cc1ccccn1)NC(=O)NCC(=O)N 2708a_100000238496_100000711301 [1,0,0,0,0,1|2,0,0]=4 843 B17R1.5005 CC(Cc1ccccn1)NC(=O)NCC(=O)N 273464a_100000238496_100000711301 [1,0,0,0,0,1|2,0,0]=4 844 B17R1.5005 CC(Cc1ccccn1)NC(=O)NCC(=O)N 273464a_100000711301_100000238496 [1,0,0,0,0,1|2,0,0]=4 845 B17R1.5005 CC(Cc1ccccn1)NC(=O)NCC(=O)N 512a_100000238496_100000711301 [1,0,0,0,0,1|2,0,0]=4 846 B17R1.5005 CC(Cc1cccnc1)NC(=O)NCC(=O)N 2708a_100011207255_100000711301 [1,0,0,0,0,1|2,0,0]=4 847 B17R1.5005 CC(Cc1cccnc1)NC(=O)NCC(=O)N 273464a_100000711301_100011207255 [1,0,0,0,0,1|2,0,0]=4 848 B17R1.5005 CC(Cc1cccnc1)NC(=O)NCC(=O)N 273464a_100011207255_100000711301 [1,0,0,0,0,1|2,0,0]=4 849 B17R1.5005 CC(Cc1cccnc1)NC(=O)NCC(=O)N 512a_100011207255_100000711301 [1,0,0,0,0,1|2,0,0]=4 850 B17R1.5005 CN(CC(=O)NCC(=O)N)Cc1ccccc1 11a_100000711301_100000745601 [1,0,0,0,0,1|2,0,0]=4 851 B17R1.5005 CN(CC(=O)NCC(=O)N)Cc1ccccc1 240690a_100000711301_100000745601 [1,0,0,0,0,1|2,0,0]=4 852 B17R1.5005 CN(CC(=O)NCC(=O)N)Cc1ccccc1 527a_100000711301_100000745601 [1,0,0,0,0,1|2,0,0]=4 853 B17R1.5010 C=C(C)CNC(=O)C(C)CCc1ccccc1 11a_100000765925_100011435293 [1,0,0,0,0,1|2,0,0]=4 854 B17R1.5010 C=C(C)CNC(=O)C(C)CCc1ccccc1 1626a_100000765925_100011435293 [1,0,0,0,0,1|2,0,0]=4 855 B17R1.5010 C=C(C)CNC(=O)C(C)CCc1ccccc1 240690a_100000765925_100011435293 [1,0,0,0,0,1|2,0,0]=4 856 B17R1.5010 C=C(C)CNC(=O)C(C)CCc1ccccc1 527a_100000765925_100011435293 [1,0,0,0,0,1|2,0,0]=4 857 B17R1.5010 C=C(C)CNC(=O)C(C)SCc1ccccc1 11a_100000765925_100000149570 [1,0,0,0,0,1|2,0,0]=4 858 B17R1.5010 C=C(C)CNC(=O)C(C)SCc1ccccc1 1626a_100000765925_100000149570 [1,0,0,0,0,1|2,0,0]=4 859 B17R1.5010 C=C(C)CNC(=O)C(C)SCc1ccccc1 240690a_100000765925_100000149570 [1,0,0,0,0,1|2,0,0]=4 860 B17R1.5010 C=C(C)CNC(=O)C(C)SCc1ccccc1 527a_100000765925_100000149570 [1,0,0,0,0,1|2,0,0]=4 861 B17R1.5010 C=C(C)CNC(=O)[C@H](C)OCc1ccccc1 11a_100000765925_100000703211 [1,0,0,0,0,1|2,0,0]=4 862 B17R1.5010 C=C(C)CNC(=O)[C@H](C)OCc1ccccc1 1626a_100000765925_100000703211 [1,0,0,0,0,1|2,0,0]=4 863 B17R1.5010 C=C(C)CNC(=O)[C@H](C)OCc1ccccc1 240690a_100000765925_100000703211 [1,0,0,0,0,1|2,0,0]=4 864 B17R1.5010 C=C(C)CNC(=O)[C@H](C)OCc1ccccc1 527a_100000765925_100000703211 [1,0,0,0,0,1|2,0,0]=4 865 B17R1.5010 CC(=O)NNC(=O)C(C)CCc1ccccc1 22a_100000189765_100011435293 [1,0,0,0,0,1|2,0,0]=4 866 B17R1.5010 CC(=O)NNC(=O)C(C)SCc1ccccc1 22a_100000189765_100000149570 [1,0,0,0,0,1|2,0,0]=4 867 B17R1.5010 CC(=O)NNC(=O)[C@H](C)OCc1ccccc1 22a_100000189765_100000703211 [1,0,0,0,0,1|2,0,0]=4 868 B17R1.5010 CC(CCc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100011435293 [1,0,0,0,0,1|1,0,0]=3 869 B17R1.5010 CC(CCc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100011435293 [1,0,0,0,0,1|1,0,0]=3 870 B17R1.5010 CC(CCc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100011435293 [1,0,0,0,0,1|1,0,0]=3 871 B17R1.5010 CC(O)CNC(=O)C(C)CCc1ccccc1 11a_100000210904_100011435293 [1,0,0,0,0,1|1,0,1]=4 872 B17R1.5010 CC(O)CNC(=O)C(C)CCc1ccccc1 240690a_100000210904_100011435293 [1,0,0,0,0,1|1,0,1]=4 873 B17R1.5010 CC(O)CNC(=O)C(C)CCc1ccccc1 527a_100000210904_100011435293 [1,0,0,0,0,1|1,0,1]=4 874 B17R1.5010 CC(O)CNC(=O)C(C)SCc1ccccc1 11a_100000210904_100000149570 [1,0,0,0,0,1|1,0,1]=4 875 B17R1.5010 CC(O)CNC(=O)C(C)SCc1ccccc1 240690a_100000210904_100000149570 [1,0,0,0,0,1|1,0,1]=4 876 B17R1.5010 CC(O)CNC(=O)C(C)SCc1ccccc1 527a_100000210904_100000149570 [1,0,0,0,0,1|1,0,1]=4 877 B17R1.5010 CC(O)CNC(=O)[C@H](C)OCc1ccccc1 11a_100000210904_100000703211 [1,0,0,0,0,1|1,0,1]=4 878 B17R1.5010 CC(O)CNC(=O)[C@H](C)OCc1ccccc1 240690a_100000210904_100000703211 [1,0,0,0,0,1|1,0,1]=4 879 B17R1.5010 CC(O)CNC(=O)[C@H](C)OCc1ccccc1 527a_100000210904_100000703211 [1,0,0,0,0,1|1,0,1]=4 880 B17R1.5010 CC(SCc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000149570 [1,0,0,0,0,1|1,0,0]=3 881 B17R1.5010 CC(SCc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000149570 [1,0,0,0,0,1|1,0,0]=3 882 B17R1.5010 CC(SCc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000149570 [1,0,0,0,0,1|1,0,0]=3 883 B17R1.5010 CN(CCc1ccccc1)C(=O)NCC(=O)N 273464a_100000711301_100000207497 [1,0,0,0,0,1|2,0,0]=4 884 B17R1.5010 C[C@H](NCc1ccccc1)C(=O)NCC(=O)O 269956a_200011416764_100015291786 [1,0,0,0,0,1|0,0,0]=2 885 B17R1.5010 C[C@H](NCc1ccccn1)C(=O)NCC(=O)O 269956a_200011416764_100000721315 [1,0,0,0,0,1|1,0,0]=3 886 B17R1.5010 C[C@H](NCc1cccnc1)C(=O)NCC(=O)O 269956a_200011416764_100000733263 [1,0,0,0,0,1|1,0,0]=3 887 B17R1.5010 C[C@H](NCc1cccnn1)C(=O)NCC(=O)O 269956a_200011416764_100016990269 [1,0,0,0,0,1|2,0,0]=4 888 B17R1.5010 C[C@H](NCc1ccncc1)C(=O)NCC(=O)O 269956a_200011416764_100015193705 [1,0,0,0,0,1|1,0,0]=3 889 B17R1.5010 C[C@H](NCc1cnccn1)C(=O)NCC(=O)O 269956a_200011416764_100016995436 [1,0,0,0,0,1|2,0,0]=4 890 B17R1.5010 C[C@H](NCc1cncnc1)C(=O)NCC(=O)O 269956a_200011416764_100016991940 [1,0,0,0,0,1|2,0,0]=4 891 B17R1.5010 C[C@H](NCc1ncccn1)C(=O)NCC(=O)O 269956a_200011416764_100000703007 [1,0,0,0,0,1|2,0,0]=4 892 B17R1.5010 C[C@H](OCc1ccccc1)C(=O)NCC(=O)N 11a_100000711301_100000703211 [1,0,0,0,0,1|1,0,0]=3 893 B17R1.5010 C[C@H](OCc1ccccc1)C(=O)NCC(=O)N 240690a_100000711301_100000703211 [1,0,0,0,0,1|1,0,0]=3 894 B17R1.5010 C[C@H](OCc1ccccc1)C(=O)NCC(=O)N 527a_100000711301_100000703211 [1,0,0,0,0,1|1,0,0]=3 895 B17R1.5010 NC(=O)CNC(=O)C(O)CCc1ccccc1 240690a_100000711301_100000242596 [1,0,0,0,0,1|1,1,0]=4 896 B17R1.9289 C=C(C)CNNC(=O)C(C)Cc1ccccc1 22a_100000729518_100000754839 [1,0,0,0,0,1|2,0,0]=4 897 B17R1.9289 CC(=CCNC(=O)C(C)Cc1ccccc1)C 11a_100000718196_100000754839 [1,0,0,0,0,1|2,0,0]=4 898 B17R1.9289 CC(=CCNC(=O)C(C)Cc1ccccc1)C 1626a_100000718196_100000754839 [1,0,0,0,0,1|2,0,0]=4 899 B17R1.9289 CC(=CCNC(=O)C(C)Cc1ccccc1)C 527a_100000718196_100000754839 [1,0,0,0,0,1|2,0,0]=4 900 B17R1.9289 CC(=O)CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011215641 [1,0,0,0,0,1|2,0,0]=4 901 B17R1.9289 CC(=O)NCCC(=O)C(C)Cc1ccccc1 1458a_100000183196_200011218536 [1,0,0,0,0,1|2,0,0]=4 902 B17R1.9289 CC(=O)NCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000189650 [1,0,0,0,0,1|2,0,0]=4 903 B17R1.9289 CC(=O)OCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100009814007 [1,0,0,0,0,1|2,0,0]=4 904 B17R1.9289 CC(=O)SCCC(=O)C(C)Cc1ccccc1 1458a_100000048949_200011218536 [1,0,0,0,0,1|2,0,0]=4 905 B17R1.9289 CC(Cc1ccccc1)C(=O)CCCC(=O)N 1458a_100000754839_100102525003 [1,0,0,0,0,1|2,0,0]=4 906 B17R1.9289 CC(Cc1ccccc1)C(=O)CCNC(=O)N 1458a_100000181464_200011218536 [1,0,0,0,0,1|2,0,0]=4 907 B17R1.9289 CC(Cc1ccccc1)C(=O)CCNC(=O)N 1458a_100000754839_200000034859 [1,0,0,0,0,1|2,0,0]=4 908 B17R1.9289 CC(Cc1ccccc1)C(=O)CCOC(=O)N 1458a_100000754839_200011214921 [1,0,0,0,0,1|2,0,0]=4 909 B17R1.9289 CC(Cc1ccccc1)C(=O)COCC(=O)N 1458a_100011219004_200011218536 [1,0,0,0,0,1|2,0,0]=4 910 B17R1.9289 CC(Cc1ccccc1)C(=O)NCCC(=O)N 11a_100000740010_100000754839 [1,0,0,0,0,1|1,0,0]=3 911 B17R1.9289 CC(Cc1ccccc1)C(=O)NCCC(=O)N 240690a_100000740010_100000754839 [1,0,0,0,0,1|1,0,0]=3 912 B17R1.9289 CC(Cc1ccccc1)C(=O)NCCC(=O)N 527a_100000740010_100000754839 [1,0,0,0,0,1|1,0,0]=3 913 B17R1.9289 CC(Cc1ccccn1)C(=O)NCCC(=O)N 240690a_100000740010_100012000792 [1,0,0,0,0,1|2,0,0]=4 914 B17R1.9289 CC(Cc1ccccn1)C(=O)NCCC(=O)N 527a_100000740010_100012000792 [1,0,0,0,0,1|2,0,0]=4 915 B17R1.9289 CC(O)CCNC(=O)C(C)Cc1ccccc1 240690a_200000755665_100000754839 [1,0,0,0,0,1|1,0,1]=4 916 B17R1.9289 CC(O)CCNC(=O)C(C)Cc1ccccc1 527a_200000755665_100000754839 [1,0,0,0,0,1|1,0,1]=4 917 B17R1.9289 CC(O)CNNC(=O)C(C)Cc1ccccc1 22a_200000730056_100000754839 [1,0,0,0,0,1|1,0,1]=4 918 B17R1.9289 CC(Oc1ccccc1)C(=O)NCCC(=O)N 11a_100000740010_100000188414 [1,0,0,0,0,1|2,0,0]=4 919 B17R1.9289 CC(Oc1ccccc1)C(=O)NCCC(=O)N 240690a_100000740010_100000188414 [1,0,0,0,0,1|2,0,0]=4 920 B17R1.9289 CC(Oc1ccccc1)C(=O)NCCC(=O)N 527a_100000740010_100000188414 [1,0,0,0,0,1|2,0,0]=4 921 B17R1.9289 CC(Sc1ccccc1)C(=O)NCCC(=O)N 11a_100000740010_100000199063 [1,0,0,0,0,1|2,0,0]=4 922 B17R1.9289 CC(Sc1ccccc1)C(=O)NCCC(=O)N 240690a_100000740010_100000199063 [1,0,0,0,0,1|2,0,0]=4 923 B17R1.9289 CC(Sc1ccccc1)C(=O)NCCC(=O)N 527a_100000740010_100000199063 [1,0,0,0,0,1|2,0,0]=4 924 B17R1.9289 CN(Cc1ccccc1)C(=O)CNCC(=O)N 2230a_100000711301_100000182870 [1,0,0,0,0,1|2,0,0]=4 925 B17R1.9289 CN(Cc1ccccc1)C(=O)CNCC(=O)O 269956a_100016091260_100000182870 [1,0,0,0,0,1|1,0,0]=3 926 B17R1.9289 CN(Cc1ccccc1)C(=O)NCCC(=O)N 273464a_100000740010_100000186898 [1,0,0,0,0,1|2,0,0]=4 927 B17R1.9289 NC(=O)CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000740010_100009816399 [1,0,0,0,0,1|1,1,0]=4 928 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 2708a_100000737752_100000711301 [0,0,0,0,1,1|2,0,0]=4 929 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 273464a_100000711301_100000737752 [0,0,0,0,1,1|2,0,0]=4 930 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 273464a_100000737752_100000711301 [0,0,0,0,1,1|2,0,0]=4 931 B17R1.3047 CCC(NC(=O)NCC(=O)N)c1ccccc1 512a_100000737752_100000711301 [0,0,0,0,1,1|2,0,0]=4 932 B17R1.3047 NC(=O)CNC(=O)CC(CO)c1ccccc1 240690a_100000711301_106726389045 [0,0,0,0,1,1|1,1,0]=4 933 B17R1.3047 NC(=O)CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000711301_100000751927 [0,0,0,0,1,1|1,1,0]=4 934 B17R1.3047 NC(=O)CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100000711301 [0,0,0,0,1,1|1,1,0]=4 935 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 11a_100000740010_100000211302 [0,0,0,0,1,1|2,0,0]=4 936 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 240690a_100000740010_100000211302 [0,0,0,0,1,1|2,0,0]=4 937 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 527a_100000740010_100000211302 [0,0,0,0,1,1|2,0,0]=4 938 B17R1.3106 CCN(C(=O)CNCC(=O)O)c1ccccc1 269956a_100016091260_100000183513 [0,0,0,0,1,1|2,0,0]=4 939 B17R1.3106 NC(=O)CCNC(=O)C(CO)c1ccccc1 240690a_100000740010_100011218805 [0,0,0,0,1,1|1,1,0]=4 940 B19R1.33938 NC(=O)CCNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100000740010 [0,0,0,0,0,2|1,1,0]=4 941 B19R1.33938 NC(=O)CCNC(=O)NC(CO)Cc1ccccc1 273464a_100000740010_100000739027 [0,0,0,0,0,2|1,1,0]=4 942 B19R1.33938 NC(=O)CNCC(=O)N[C@H](CO)Cc1ccccc1 2230a_100000711301_100014296151 [0,0,0,0,0,2|1,1,0]=4 943 B19R1.33938 O=C(O)CNCC(=O)N[C@H](CO)Cc1ccccc1 269956a_100016091260_100014296151 [0,0,0,0,0,2|0,1,0]=3 944 B19R1.34002 N#CC(Cc1ccccc1)NCC(=O)NCC(=O)O 269956a_100000183575_100000183401 [0,0,0,0,0,2|1,0,1]=4 945 B19R1.34002 NC(=O)CNC(=O)NCC(CO)Cc1ccccc1 273464a_100000711301_100160572655 [0,0,0,0,0,2|1,1,0]=4 946 B19R1.34002 NC(=O)CNC(=O)NCC(CO)Cc1ccccc1 273464a_100160572655_100000711301 [0,0,0,0,0,2|1,1,0]=4 947 B19R1.33901 CCN(Cc1ccccc1)C(=O)CNOCC(=O)O 269956a_100000106656_100000183411 [0,0,0,0,0,2|2,0,0]=4