0 B14R1.423 C=C(C)CCC(=O)Cc1ccccc1 1458a_200000688413_100015291786 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 11a_100000106764_200000688413 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 1626a_100000106764_200000688413 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 22a_100000106764_200000688413 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 527a_100000106764_200000688413 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,0,0,0,0,0|1,0,2]=3 7 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000070787_100015196923 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000053229 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.423 CC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.423 CC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.423 CC(=O)NCC(=O)Cc1ccccc1 1458a_100000194580_100015291786 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000194580 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100015343762 [0,0,0,0,0,0|2,0,2]=4 16 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000194580 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100015343762 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000194580 [0,0,0,0,0,0|2,0,2]=4 19 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100015343762 [0,0,0,0,0,0|2,0,2]=4 20 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000194580 [0,0,0,0,0,0|2,0,2]=4 21 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100103153847 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,0,0,0,0,0|3,0,1]=4 24 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 1626a_100000106764_100000183556 [0,0,0,0,0,0|2,0,2]=4 26 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 22a_100000106764_100000183556 [0,0,0,0,0,0|2,0,2]=4 27 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 527a_100000106764_100000183556 [0,0,0,0,0,0|2,0,2]=4 28 B14R1.423 CC(=O)SCC(=O)Cc1ccccc1 1458a_100000049016_100015291786 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 11a_100000106764_100000049016 [0,0,0,0,0,0|2,0,2]=4 30 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 1626a_100000106764_100000049016 [0,0,0,0,0,0|2,0,2]=4 31 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [0,0,0,0,0,0|1,0,3]=4 33 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000186898_100000744528 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000730477_100015291786 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000186898_100000744528 [0,0,0,0,0,0|4,0,0]=4 38 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 270004a_100000730477_100015611070 [0,0,0,0,0,0|4,0,0]=4 39 B14R1.423 CN(CCC(=O)[13CH3])Cc1ccccc1 1458a_100000177486_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.423 NC(=O)CCC(=O)Cc1ccccn1 1458a_100011215257_100000721315 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.423 NC(=O)CCC(=O)Cc1cccnc1 1458a_100011215257_100000733263 [0,0,0,0,0,0|3,0,1]=4 43 B14R1.423 NC(=O)CCC(=O)Cc1ccncc1 1458a_100011215257_100000705612 [0,0,0,0,0,0|3,0,1]=4 44 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,0,0,0,0,0|1,0,2]=3 45 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,0,0,0,0,0|1,0,2]=3 46 B14R1.423 NC(=O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000711301 [0,0,0,0,0,0|2,0,2]=4 47 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000184981 [0,0,0,0,0,0|2,0,2]=4 49 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000184981 [0,0,0,0,0,0|2,0,2]=4 50 B14R1.423 O=C(CC[N+](=O)[O-])Cc1ccccc1 1458a_200000064761_100015291786 [0,0,0,0,0,0|2,0,2]=4 51 B14R1.423 O=C(CC[N+](=O)[O-])Nc1ccccc1 11a_100000106764_200000064761 [0,0,0,0,0,0|1,0,3]=4 52 B14R1.423 O=C(CC[N+](=O)[O-])Nc1ccccc1 1626a_100000106764_200000064761 [0,0,0,0,0,0|1,0,3]=4 53 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,0,0,0,0,0|1,0,2]=3 54 B14R1.423 [13CH3]C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.423 [13CH3]C(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [1,0,0,0,0,0|1,0,2]=4 60 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [1,0,0,0,0,0|1,0,2]=4 61 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [1,0,0,0,0,0|1,0,2]=4 62 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [1,0,0,0,0,0|1,0,2]=4 63 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [1,0,0,0,0,0|1,0,2]=4 66 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [1,0,0,0,0,0|2,0,1]=4 69 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [1,0,0,0,0,0|2,0,1]=4 70 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [1,0,0,0,0,0|2,0,1]=4 73 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,0,0,0,0|3,0,0]=4 76 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,0,0,0,0|3,0,0]=4 77 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,0,0,0,0|3,0,0]=4 78 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,0,0,0,0|3,0,0]=4 79 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [1,0,0,0,0,0|3,0,0]=4 80 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [1,0,0,0,0,0|3,0,0]=4 81 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [1,0,0,0,0,0|3,0,0]=4 82 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [1,0,0,0,0,0|3,0,0]=4 83 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [1,0,0,0,0,0|3,0,0]=4 84 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [1,0,0,0,0,0|3,0,0]=4 85 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [1,0,0,0,0,0|1,0,2]=4 89 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [1,0,0,0,0,0|2,0,1]=4 90 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [1,0,0,0,0,0|2,0,1]=4 91 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [1,0,0,0,0,0|2,0,1]=4 92 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [1,0,0,0,0,0|2,0,1]=4 93 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [1,0,0,0,0,0|3,0,0]=4 97 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [1,0,0,0,0,0|3,0,0]=4 98 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [1,0,0,0,0,0|3,0,0]=4 100 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [1,0,0,0,0,0|2,0,1]=4 103 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [1,0,0,0,0,0|2,0,1]=4 104 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [1,0,0,0,0,0|2,0,1]=4 106 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [1,0,0,0,0,0|2,0,1]=4 107 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [1,0,0,0,0,0|2,0,1]=4 108 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B15R1.111 CC(=O)CCC(=O)Nc1ccc(cc1)Br 1458a_200000185744_200000210301 [0,1,0,0,0,0|1,0,2]=4 111 B15R1.111 CC(=O)CCC(=O)Nc1ccc(cc1)C 1458a_100000070787_200000187088 [0,1,0,0,0,0|1,0,2]=4 112 B15R1.111 CC(=O)CCC(=O)Nc1ccc(cc1)C 1458a_200000180974_200000210301 [0,1,0,0,0,0|1,0,2]=4 113 B15R1.111 CC(=O)CCC(=O)Nc1ccc(cc1)Cl 1458a_200000180981_200000210301 [0,1,0,0,0,0|1,0,2]=4 114 B15R1.111 CC(=O)CCC(=O)Nc1ccc(cc1)F 1458a_200000180970_200000210301 [0,1,0,0,0,0|1,0,2]=4 115 B15R1.111 CC(=O)CCC(=O)Nc1ccc(cc1)O 1458a_200000180990_200000210301 [0,1,0,0,0,0|1,0,2]=4 116 B15R1.111 Cc1ccc(cc1)CC(=O)CCC(=O)N 1458a_100011215257_100000210814 [0,1,0,0,0,0|2,0,1]=4 117 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(=O)N 22a_100000124888_100011215257 [0,1,0,0,0,0|1,0,2]=4 118 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(=O)N 527a_100000124888_100011215257 [0,1,0,0,0,0|1,0,2]=4 119 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(=O)[13CH3] 1458a_200000180974_200025704644 [0,1,0,0,0,0|1,0,2]=4 120 B15R1.111 NC(=O)CCC(=O)Cc1ccc(cc1)Br 1458a_100011215257_100000189115 [0,1,0,0,0,0|2,0,1]=4 121 B15R1.111 NC(=O)CCC(=O)Cc1ccc(cc1)Cl 1458a_100011215257_100000694040 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.111 NC(=O)CCC(=O)Cc1ccc(cc1)F 1458a_100011215257_100000198546 [0,1,0,0,0,0|2,0,1]=4 123 B15R1.111 NC(=O)CCC(=O)Cc1ccc(cc1)I 1458a_100011215257_100000189116 [0,1,0,0,0,0|2,0,1]=4 124 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215257 [0,1,0,0,0,0|1,0,2]=4 125 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100011215257 [0,1,0,0,0,0|1,0,2]=4 126 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215257 [0,1,0,0,0,0|1,0,2]=4 127 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011215257 [0,1,0,0,0,0|1,0,2]=4 128 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100011215257 [0,1,0,0,0,0|1,0,2]=4 129 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100011215257 [0,1,0,0,0,0|1,0,2]=4 130 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100011215257 [0,1,0,0,0,0|1,0,2]=4 131 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100011215257 [0,1,0,0,0,0|1,0,2]=4 132 B15R1.111 NC(=O)CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100011215257 [0,1,0,0,0,0|1,0,2]=4 133 B15R1.111 [13CH3]C(=O)CCC(=O)Nc1ccc(cc1)Br 1458a_200000185744_200025704644 [0,1,0,0,0,0|1,0,2]=4 134 B15R1.111 [13CH3]C(=O)CCC(=O)Nc1ccc(cc1)Cl 1458a_200000180981_200025704644 [0,1,0,0,0,0|1,0,2]=4 135 B15R1.111 [13CH3]C(=O)CCC(=O)Nc1ccc(cc1)F 1458a_200000180970_200025704644 [0,1,0,0,0,0|1,0,2]=4 136 B15R1.111 [13CH3]C(=O)CCC(=O)Nc1ccc(cc1)O 1458a_200000180990_200025704644 [0,1,0,0,0,0|1,0,2]=4 137 B15R1.120 CC(=O)CCC(=O)Nc1cccc(c1)C 1458a_100000070787_100011194834 [0,1,0,0,0,0|1,0,2]=4 138 B15R1.120 CC(=O)CCC(=O)Nc1cccc(c1)C 1458a_200000180963_200000210301 [0,1,0,0,0,0|1,0,2]=4 139 B15R1.120 CC(=O)CCC(=O)Nc1cccc(c1)F 1458a_100000070787_100000242062 [0,1,0,0,0,0|1,0,2]=4 140 B15R1.120 CC(=O)CCC(=O)Nc1cccc(c1)F 1458a_100000180978_200000210301 [0,1,0,0,0,0|1,0,2]=4 141 B15R1.120 Cc1cccc(c1)CC(=O)CCC(=O)N 1458a_100011215257_100000211840 [0,1,0,0,0,0|2,0,1]=4 142 B15R1.120 Cc1cccc(c1)NC(=O)CCC(=O)N 22a_100000188690_100011215257 [0,1,0,0,0,0|1,0,2]=4 143 B15R1.120 Cc1cccc(c1)NC(=O)CCC(=O)N 527a_100000188690_100011215257 [0,1,0,0,0,0|1,0,2]=4 144 B15R1.120 Cc1cccc(c1)NC(=O)CCC(=O)[13CH3] 1458a_200000180963_200025704644 [0,1,0,0,0,0|1,0,2]=4 145 B15R1.120 NC(=O)CCC(=O)Cc1cccc(c1)Br 1458a_100011215257_100000211773 [0,1,0,0,0,0|2,0,1]=4 146 B15R1.120 NC(=O)CCC(=O)Cc1cccc(c1)Cl 1458a_100011215257_100000181238 [0,1,0,0,0,0|2,0,1]=4 147 B15R1.120 NC(=O)CCC(=O)Cc1cccc(c1)F 1458a_100011215257_100000230114 [0,1,0,0,0,0|2,0,1]=4 148 B15R1.120 NC(=O)CCC(=O)Cc1cccc(c1)I 1458a_100011215257_100011218688 [0,1,0,0,0,0|2,0,1]=4 149 B15R1.120 NC(=O)CCC(=O)Cc1cccc(c1)O 1458a_100011215257_100011660834 [0,1,0,0,0,0|2,0,1]=4 150 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100011215257 [0,1,0,0,0,0|1,0,2]=4 151 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100011215257 [0,1,0,0,0,0|1,0,2]=4 152 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215257 [0,1,0,0,0,0|1,0,2]=4 153 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)F 22a_100000210047_100011215257 [0,1,0,0,0,0|1,0,2]=4 154 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)F 527a_100000210047_100011215257 [0,1,0,0,0,0|1,0,2]=4 155 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)I 22a_100000211102_100011215257 [0,1,0,0,0,0|1,0,2]=4 156 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)I 527a_100000211102_100011215257 [0,1,0,0,0,0|1,0,2]=4 157 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)O 22a_100000210217_100011215257 [0,1,0,0,0,0|1,0,2]=4 158 B15R1.120 NC(=O)CCC(=O)Nc1cccc(c1)O 527a_100000210217_100011215257 [0,1,0,0,0,0|1,0,2]=4 159 B15R1.120 [13CH3]C(=O)CCC(=O)Nc1cccc(c1)F 1458a_100000180978_200025704644 [0,1,0,0,0,0|1,0,2]=4 160 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1C 1458a_200000180964_200000210301 [0,1,0,0,0,0|1,0,2]=4 161 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1O 1458a_100000011731_200000210301 [0,1,0,0,0,0|1,0,2]=4 162 B15R1.256 Cc1ccccc1CC(=O)CCC(=O)N 1458a_100011215257_100000211839 [0,1,0,0,0,0|2,0,1]=4 163 B15R1.256 Cc1ccccc1NC(=O)CCC(=O)N 22a_100015192222_100011215257 [0,1,0,0,0,0|1,0,2]=4 164 B15R1.256 Cc1ccccc1NC(=O)CCC(=O)N 527a_100015192222_100011215257 [0,1,0,0,0,0|1,0,2]=4 165 B15R1.256 Cc1ccccc1NC(=O)CCC(=O)[13CH3] 1458a_200000180964_200025704644 [0,1,0,0,0,0|1,0,2]=4 166 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1Br 1458a_100011215257_100000184730 [0,1,0,0,0,0|2,0,1]=4 167 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1Cl 1458a_100011215257_100000187162 [0,1,0,0,0,0|2,0,1]=4 168 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1F 1458a_100011215257_100000187165 [0,1,0,0,0,0|2,0,1]=4 169 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1I 1458a_100011215257_100011216222 [0,1,0,0,0,0|2,0,1]=4 170 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1Cl 22a_100000185783_100011215257 [0,1,0,0,0,0|1,0,2]=4 171 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1Cl 527a_100000185783_100011215257 [0,1,0,0,0,0|1,0,2]=4 172 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1F 22a_100000210422_100011215257 [0,1,0,0,0,0|1,0,2]=4 173 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1F 527a_100000210422_100011215257 [0,1,0,0,0,0|1,0,2]=4 174 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1O 22a_100000185747_100011215257 [0,1,0,0,0,0|1,0,2]=4 175 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1O 527a_100000185747_100011215257 [0,1,0,0,0,0|1,0,2]=4 176 B15R1.256 [13CH3]C(=O)CCC(=O)Nc1ccccc1O 1458a_100000011731_200025704644 [0,1,0,0,0,0|1,0,2]=4 177 B15R1.964 C#CC(=O)CCC(=O)Nc1ccccc1 1458a_100000211873_100000242058 [0,1,0,0,0,0|1,0,2]=4 178 B15R1.964 C#CC(=O)CCC(=O)Oc1ccccc1 1458a_100000211873_200000035796 [0,1,0,0,0,0|2,0,1]=4 179 B15R1.964 C=CC(=O)CCC(=O)Nc1ccccc1 1458a_100000185746_100000242058 [0,1,0,0,0,0|1,0,2]=4 180 B15R1.964 C=CC(=O)CCC(=O)Oc1ccccc1 1458a_100000185746_200000035796 [0,1,0,0,0,0|2,0,1]=4 181 B15R1.964 CCC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210202 [0,1,0,0,0,0|1,0,2]=4 182 B15R1.964 CCC(=O)CCC(=O)Nc1ccccc1 1458a_100000210414_100000242058 [0,1,0,0,0,0|1,0,2]=4 183 B15R1.964 CCC(=O)CCC(=O)Oc1ccccc1 1458a_100000210414_200000035796 [0,1,0,0,0,0|2,0,1]=4 184 B15R1.964 CN(CCC(=O)CO)Cc1ccccc1 1458a_100000210174_100015196923 [0,1,0,0,0,0|3,0,0]=4 185 B15R1.964 CNC(=O)CCC(=O)Cc1ccccc1 1458a_100011309844_100015291786 [0,1,0,0,0,0|2,0,1]=4 186 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100011309844 [0,1,0,0,0,0|1,0,2]=4 187 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 11a_106832991635_100000180958 [0,1,0,0,0,0|1,0,2]=4 188 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100011309844 [0,1,0,0,0,0|1,0,2]=4 189 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011309844 [0,1,0,0,0,0|1,0,2]=4 190 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 240690a_100102657272_100000180958 [0,1,0,0,0,0|1,0,2]=4 191 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011309844 [0,1,0,0,0,0|1,0,2]=4 192 B15R1.964 COC(=O)CCC(=O)Cc1ccccc1 1458a_100000187943_100015291786 [0,1,0,0,0,0|1,0,1]=3 193 B15R1.964 COC(=O)CCC(=O)Cc1ccccn1 1458a_100000187943_100000721315 [0,1,0,0,0,0|2,0,1]=4 194 B15R1.964 COC(=O)CCC(=O)Cc1cccnc1 1458a_100000187943_100000733263 [0,1,0,0,0,0|2,0,1]=4 195 B15R1.964 COC(=O)CCC(=O)Cc1ccncc1 1458a_100000187943_100000705612 [0,1,0,0,0,0|2,0,1]=4 196 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000187943 [0,1,0,0,0,0|0,0,2]=3 197 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000187943 [0,1,0,0,0,0|0,0,2]=3 198 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100000187943 [0,1,0,0,0,0|0,0,2]=3 199 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 2230a_100000177508_200000210301 [0,1,0,0,0,0|3,0,0]=4 200 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 2230a_100000186898_100000204255 [0,1,0,0,0,0|3,0,0]=4 201 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 269982a_100000177508_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000204255 [0,1,0,0,0,0|3,0,0]=4 203 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 269982a_100025711912_100000211182 [0,1,0,0,0,0|3,0,0]=4 204 B15R1.964 COC(=O)CCN([13CH3])Cc1ccccc1 2230a_100000177508_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B15R1.964 COC(=O)CCN([13CH3])Cc1ccccc1 269982a_100000177508_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B15R1.964 COC(=O)NCC(=O)Cc1ccccc1 1458a_100000215747_100015291786 [0,1,0,0,0,0|2,0,1]=4 207 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000215747 [0,1,0,0,0,0|1,0,2]=4 208 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000215747 [0,1,0,0,0,0|1,0,2]=4 209 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000215747 [0,1,0,0,0,0|1,0,2]=4 210 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000215747 [0,1,0,0,0,0|1,0,2]=4 211 B15R1.964 O=C(CF)CCC(=O)Nc1ccccc1 1458a_100000180958_100015361967 [0,1,0,0,0,0|1,0,2]=4 212 B15R1.964 O=C(CO)CCC(=O)Nc1ccccc1 1458a_100000210174_100000242058 [0,1,0,0,0,0|0,0,2]=3 213 B15R1.964 O=C(CO)CCC(=O)Oc1ccccc1 1458a_100000210174_200000035796 [0,1,0,0,0,0|1,0,1]=3 214 B15R1.964 O=C(CO)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210174 [0,1,0,0,0,0|1,0,2]=4 215 B15R1.964 O=C(CO)NCC(=O)Nc1ccccc1 527a_100000742222_100000210174 [0,1,0,0,0,0|1,0,2]=4 216 B15R1.964 O=C(CO)NCC(O)Cc1ccccc1 240690a_100000752270_100000210174 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.964 O=C(CO)NCC(O)Cc1ccccc1 527a_100000752270_100000210174 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.1078 CC(=O)CCC(=O)N(C)c1ccccc1 1458a_100000070787_100000691765 [0,1,0,0,0,0|1,0,2]=4 219 B15R1.1078 CC(C(=O)CCC(=O)N)c1ccccc1 1458a_100011215257_100000230085 [0,1,0,0,0,0|2,0,1]=4 220 B15R1.1078 CN(C(=O)CCC(=O)N)c1ccccc1 22a_100000210012_100011215257 [0,1,0,0,0,0|1,0,2]=4 221 B15R2.596 O=C1C[C@H](N1)C(=O)Cc2ccccc2 1458a_100016090685_100015291786 [0,0,0,1,0,0|2,0,1]=4 222 B15R2.596 O=C1C[C@H](N1)C(=O)Nc2ccccc2 22a_100000106764_100016090685 [0,0,0,1,0,0|1,0,2]=4 223 B15R2.596 O=C1C[C@H](N1)C(=O)Nc2ccccc2 527a_100000106764_100016090685 [0,0,0,1,0,0|1,0,2]=4 224 B15R2.988 NC(=O)c1cc(nc2c1cccc2)O 271570a_203496583355_200000188934 [0,0,0,1,0,0|1,0,2]=4 225 B15R2.993 CC(=O)Cn1c(nc2c1cccc2)C 1458a_100000766443_200000210301 [0,0,0,1,0,0|3,0,0]=4 226 B15R2.993 Cc1nc2ccccc2n1CC(=O)[13CH3] 1458a_100000766443_200025704644 [0,0,0,1,0,0|3,0,0]=4 227 B15R2.1660 CC(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_200000210301 [0,0,0,1,0,0|1,0,2]=4 228 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 1458a_200000069995_200000210301 [0,0,0,1,0,0|2,1,0]=4 229 B15R2.1660 CC(=O)CCc1cn2ccccc2n1 1458a_200011935298_200000210301 [0,0,0,1,0,0|3,0,0]=4 230 B15R2.1660 CC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_200000210301 [0,0,0,1,0,0|2,0,0]=3 231 B15R2.1660 CC(=O)CCc1nc2ccccc2s1 1458a_100000182949_200000210301 [0,0,0,1,0,0|1,1,0]=3 232 B15R2.1660 CC(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_200000210301 [0,0,0,1,0,0|3,0,0]=4 233 B15R2.1660 CC(=O)CSc1nc2ccccc2o1 1458a_200000179485_200000210301 [0,0,0,1,0,0|2,0,0]=3 234 B15R2.1660 CC(=O)CSc1nc2ccccc2s1 1458a_100000179486_200000210301 [0,0,0,1,0,0|2,1,0]=4 235 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 11a_100011220112_100015343762 [0,0,0,1,0,0|3,0,0]=4 236 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100015343762 [0,0,0,1,0,0|3,0,0]=4 237 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100015343762 [0,0,0,1,0,0|3,0,0]=4 238 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 527a_100011220112_100103153847 [0,0,0,1,0,0|3,0,0]=4 239 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100015343762 [0,0,0,1,0,0|3,0,0]=4 240 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100103153847 [0,0,0,1,0,0|3,0,0]=4 241 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 11a_100000733820_100015343762 [0,0,0,1,0,0|2,0,0]=3 242 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100015343762 [0,0,0,1,0,0|2,0,0]=3 243 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100015343762 [0,0,0,1,0,0|2,0,0]=3 244 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 527a_100000733820_100103153847 [0,0,0,1,0,0|2,0,0]=3 245 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 11a_100000174905_100015343762 [0,0,0,1,0,0|2,1,0]=4 246 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100015343762 [0,0,0,1,0,0|2,1,0]=4 247 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100015343762 [0,0,0,1,0,0|2,1,0]=4 248 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 527a_100000174905_100103153847 [0,0,0,1,0,0|2,1,0]=4 249 B15R2.1660 CC(=O)NNc1nc2ccccc2o1 22a_100000182307_100000070787 [0,0,0,1,0,0|3,0,0]=4 250 B15R2.1660 NC(=O)CSc1cc2ccccc2o1 62a_100000747473_100010159458 [0,0,0,1,0,0|3,0,0]=4 251 B15R2.1660 NC(=O)CSc1nc2ccccc2[nH]1 62a_100000747473_100009814255 [0,0,0,1,0,0|3,0,0]=4 252 B15R2.1660 NC(=O)CSc1nc2ccccc2s1 62a_100000747473_100000751744 [0,0,0,1,0,0|2,1,0]=4 253 B15R2.1660 O=C([O-])CSc1cc2ccccc2o1 62a_100020667443_100010159458 [0,0,0,1,0,0|2,0,1]=4 254 B15R2.1660 O=C([O-])CSc1nc2ccccc2[nH]1 62a_100020667443_100009814255 [0,0,0,1,0,0|2,0,1]=4 255 B15R2.1660 O=C([O-])CSc1nc2ccccc2s1 62a_100020667443_100000751744 [0,0,0,1,0,0|1,1,1]=4 256 B15R2.1660 [13CH3]C(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_200025704644 [0,0,0,1,0,0|1,0,2]=4 257 B15R2.1660 [13CH3]C(=O)CCc1cc2ccccc2s1 1458a_200000069995_200025704644 [0,0,0,1,0,0|2,1,0]=4 258 B15R2.1660 [13CH3]C(=O)CCc1cn2ccccc2n1 1458a_200011935298_200025704644 [0,0,0,1,0,0|3,0,0]=4 259 B15R2.1660 [13CH3]C(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_200025704644 [0,0,0,1,0,0|2,0,0]=3 260 B15R2.1660 [13CH3]C(=O)CCc1nc2ccccc2s1 1458a_100000182949_200025704644 [0,0,0,1,0,0|1,1,0]=3 261 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_200025704644 [0,0,0,1,0,0|3,0,0]=4 262 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2o1 1458a_200000179485_200025704644 [0,0,0,1,0,0|2,0,0]=3 263 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2s1 1458a_100000179486_200025704644 [0,0,0,1,0,0|2,1,0]=4 264 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,0,0,0,1,0|2,0,1]=4 265 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,1,0|1,0,1]=3 266 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,0,0,0,1,0|3,0,0]=4 267 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,0,0,0,1,0|1,0,1]=3 268 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,0,0,1,0|2,0,1]=4 269 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,1,0|2,0,1]=4 270 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,0,0,0,1,0|2,1,0]=4 271 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,0,0,0,1,0|2,0,1]=4 272 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,0,0,0,1,0|2,0,1]=4 273 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,0,0,0,1,0|2,0,1]=4 274 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,0,0,0,1,0|1,0,2]=4 275 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,0,0,0,1,0|3,0,0]=4 276 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,0,0,0,1,0|3,0,0]=4 277 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,0,0,0,1,0|3,0,0]=4 278 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,0,0,1,0|2,0,1]=4 279 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,0,0,1,0|2,0,1]=4 280 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,0,0,1,0|2,0,1]=4 281 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,0,0,1,0|2,0,1]=4 282 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,0,0,0,1,0|2,1,0]=4 283 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,0,0,0,1,0|2,0,1]=4 284 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,0,0,1,0|1,0,2]=4 285 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,0,0,0,1,0|2,0,1]=4 286 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,0,0,1,0|3,0,0]=4 287 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,0,0,1,0|3,0,0]=4 288 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,0,0,0,1,0|2,0,1]=4 289 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,0,0,1,0|1,0,2]=4 290 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,0,0,1,0|1,0,2]=4 291 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,0,0,1,0|3,0,0]=4 292 B15R1.1081 C/C(=C\c1ccccc1)/COCC(=O)N 34a_200025717232_100000187820 [0,0,0,0,0,1|3,0,0]=4 293 B15R1.1081 C/C(=C\c1ccccc1)/COCC(=O)N 7a_200025717232_100000187820 [0,0,0,0,0,1|3,0,0]=4 294 B15R1.1081 C/C(=C\c1ccccc1)/COCC(=O)[O-] 34a_200025717232_100020667443 [0,0,0,0,0,1|2,0,1]=4 295 B15R1.1081 CC(=O)CCCC(=O)Nc1ccccc1 1458a_100000070787_100011194425 [0,0,0,0,0,1|1,0,2]=4 296 B15R1.1081 CC(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_200000210301 [0,0,0,0,0,1|1,0,2]=4 297 B15R1.1081 CC(=O)COCC(=O)Nc1ccccc1 1458a_200000199795_200000210301 [0,0,0,0,0,1|1,0,2]=4 298 B15R1.1081 CC(=O)COCC(=O)Nc1ccccc1 34a_100000211253_100000182850 [0,0,0,0,0,1|1,0,2]=4 299 B15R1.1081 CC(=O)COCC(=O)Oc1ccccc1 34a_100000211253_100009813826 [0,0,0,0,0,1|2,0,1]=4 300 B15R1.1081 CC(=O)COC[C@@H](O)Cc1ccccc1 34a_100000211253_100000729385 [0,0,0,0,0,1|2,0,1]=4 301 B15R1.1081 CC(=O)NCCC(=O)Cc1ccccc1 1458a_100000183196_100015291786 [0,0,0,0,0,1|2,0,1]=4 302 B15R1.1081 CC(=O)NCCC(=O)Nc1ccccc1 11a_100000106764_100000183196 [0,0,0,0,0,1|1,0,2]=4 303 B15R1.1081 CC(=O)NCCC(=O)Nc1ccccc1 1626a_100000106764_100000183196 [0,0,0,0,0,1|1,0,2]=4 304 B15R1.1081 CC(=O)NCCC(=O)Nc1ccccc1 22a_100000106764_100000183196 [0,0,0,0,0,1|1,0,2]=4 305 B15R1.1081 CC(=O)NCCC(=O)Nc1ccccc1 527a_100000106764_100000183196 [0,0,0,0,0,1|1,0,2]=4 306 B15R1.1081 CC(=O)SCCC(=O)Cc1ccccc1 1458a_100000048949_100015291786 [0,0,0,0,0,1|2,0,1]=4 307 B15R1.1081 CC(=O)SCCC(=O)Nc1ccccc1 1626a_100000106764_100000048949 [0,0,0,0,0,1|1,0,2]=4 308 B15R1.1081 CN(CCCC(=O)O)Cc1ccccc1 269956a_100000719178_100015291786 [0,0,0,0,0,1|3,0,0]=4 309 B15R1.1081 NC(=O)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000740010 [0,0,0,0,0,1|1,0,2]=4 310 B15R1.1081 NC(=O)CNCC(=O)Cc1ccccc1 2230a_100000711301_100000233483 [0,0,0,0,0,1|2,0,1]=4 311 B15R1.1081 NC(=O)CNCC(=O)Nc1ccccc1 2230a_100000711301_100000182850 [0,0,0,0,0,1|1,0,2]=4 312 B15R1.1081 NC(=O)CNCC(=O)Oc1ccccc1 2230a_100000711301_100009813826 [0,0,0,0,0,1|2,0,1]=4 313 B15R1.1081 NC(=O)CNCC(O)Cc1ccccc1 2230a_100000752270_100000747473 [0,0,0,0,0,1|2,0,1]=4 314 B15R1.1081 NC(=O)CNC[C@@H](O)Cc1ccccc1 2230a_100000711301_100000729385 [0,0,0,0,0,1|2,0,1]=4 315 B15R1.1081 NC(=O)COCC(=O)Cc1ccccc1 1458a_100011219004_100015291786 [0,0,0,0,0,1|2,0,1]=4 316 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 1626a_100000106764_100011219004 [0,0,0,0,0,1|1,0,2]=4 317 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 22a_100000106764_100011219004 [0,0,0,0,0,1|1,0,2]=4 318 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 34a_100000246334_100000187820 [0,0,0,0,0,1|1,0,2]=4 319 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 527a_100000106764_100011219004 [0,0,0,0,0,1|1,0,2]=4 320 B15R1.1081 NC(=O)CSCC(=O)Cc1ccccc1 62a_100000233483_100000747473 [0,0,0,0,0,1|2,0,1]=4 321 B15R1.1081 NC(=O)CSCC(=O)Cc1ccccc1 62a_100000747473_100000233483 [0,0,0,0,0,1|2,0,1]=4 322 B15R1.1081 NC(=O)CSCC(=O)Nc1ccccc1 11a_100000106764_100000150265 [0,0,0,0,0,1|1,0,2]=4 323 B15R1.1081 NC(=O)CSCC(=O)Nc1ccccc1 22a_100000106764_100000150265 [0,0,0,0,0,1|1,0,2]=4 324 B15R1.1081 NC(=O)CSCC(=O)Nc1ccccc1 527a_100000106764_100000150265 [0,0,0,0,0,1|1,0,2]=4 325 B15R1.1081 NC(=O)CSCC(=O)Nc1ccccc1 62a_100000747473_100000182850 [0,0,0,0,0,1|1,0,2]=4 326 B15R1.1081 NC(=O)CSCC(=O)Nc1ccccc1 62a_100012148978_100000747473 [0,0,0,0,0,1|1,0,2]=4 327 B15R1.1081 NC(=O)CSCC(=O)Oc1ccccc1 62a_100000747473_100009813826 [0,0,0,0,0,1|2,0,1]=4 328 B15R1.1081 NC(=O)CSCC(=O)Oc1ccccc1 62a_100009813826_100000747473 [0,0,0,0,0,1|2,0,1]=4 329 B15R1.1081 NC(=O)CSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000747473 [0,0,0,0,0,1|2,0,1]=4 330 B15R1.1081 NC(=O)CSC[C@@H](O)Cc1ccccc1 62a_100000747473_100000729385 [0,0,0,0,0,1|2,0,1]=4 331 B15R1.1081 NC(=O)NCCC(=O)Cc1ccccc1 1458a_100000181464_100015291786 [0,0,0,0,0,1|2,0,1]=4 332 B15R1.1081 NC(=O)NCCC(=O)Nc1ccccc1 22a_100000106764_100000181464 [0,0,0,0,0,1|1,0,2]=4 333 B15R1.1081 NC(=O)NCCC(=O)Nc1ccccc1 527a_100000106764_100000181464 [0,0,0,0,0,1|1,0,2]=4 334 B15R1.1081 O=C(O)CNCC(=O)Cc1ccccc1 269956a_100016091260_100000233483 [0,0,0,0,0,1|1,0,1]=3 335 B15R1.1081 O=C(O)CNCC(=O)Nc1ccccc1 269956a_100016091260_100000182850 [0,0,0,0,0,1|0,0,2]=3 336 B15R1.1081 O=C(O)CNCC(=O)Nc1ccccn1 269956a_100016091260_100020662008 [0,0,0,0,0,1|1,0,2]=4 337 B15R1.1081 O=C(O)CNCC(=O)Nc1ccncc1 269956a_100016091260_100000754145 [0,0,0,0,0,1|1,0,2]=4 338 B15R1.1081 O=C(O)CNCC(=O)Oc1ccccc1 269956a_100016091260_100009813826 [0,0,0,0,0,1|1,0,1]=3 339 B15R1.1081 O=C(O)CNC[C@@H](O)Cc1ccccc1 269956a_100016091260_100000729385 [0,0,0,0,0,1|1,0,1]=3 340 B15R1.1081 O=C([O-])COCC(=O)Nc1ccccc1 34a_100000246334_100020667443 [0,0,0,0,0,1|0,0,3]=4 341 B15R1.1081 O=C([O-])CSCC(=O)Cc1ccccc1 62a_100000233483_100020667443 [0,0,0,0,0,1|1,0,2]=4 342 B15R1.1081 O=C([O-])CSCC(=O)Cc1ccccc1 62a_100020667443_100000233483 [0,0,0,0,0,1|1,0,2]=4 343 B15R1.1081 O=C([O-])CSCC(=O)Nc1ccccc1 62a_100012148978_100020667443 [0,0,0,0,0,1|0,0,3]=4 344 B15R1.1081 O=C([O-])CSCC(=O)Nc1ccccc1 62a_100020667443_100000182850 [0,0,0,0,0,1|0,0,3]=4 345 B15R1.1081 O=C([O-])CSCC(=O)Oc1ccccc1 62a_100009813826_100020667443 [0,0,0,0,0,1|1,0,2]=4 346 B15R1.1081 O=C([O-])CSCC(=O)Oc1ccccc1 62a_100020667443_100009813826 [0,0,0,0,0,1|1,0,2]=4 347 B15R1.1081 O=C([O-])CSC[C@@H](O)Cc1ccccc1 62a_100000729385_100020667443 [0,0,0,0,0,1|1,0,2]=4 348 B15R1.1081 O=C([O-])CSC[C@@H](O)Cc1ccccc1 62a_100020667443_100000729385 [0,0,0,0,0,1|1,0,2]=4 349 B15R1.1081 [13CH3]C(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_200025704644 [0,0,0,0,0,1|1,0,2]=4 350 B15R1.1081 [13CH3]C(=O)COCC(=O)Nc1ccccc1 1458a_200000199795_200025704644 [0,0,0,0,0,1|1,0,2]=4 351 B15R1.5919 CC(=O)CCC(=O)NCc1ccccc1 1458a_100000185749_200000210301 [0,0,0,0,0,1|1,0,2]=4 352 B15R1.5919 CC(=O)CCC(=O)OCc1ccccc1 1458a_100000066287_200000210301 [0,0,0,0,0,1|2,0,1]=4 353 B15R1.5919 CC(=O)CCC(=O)OCc1ccccc1 1458a_100000070787_100009813219 [0,0,0,0,0,1|2,0,1]=4 354 B15R1.5919 CC(=O)OCC(=NNc1ccccc1)C 4a_100015195140_100000000629 [0,0,0,0,0,1|3,0,0]=4 355 B15R1.5919 NC(=O)CCC(=O)CCc1ccccc1 1458a_100011215257_100000765856 [0,0,0,0,0,1|2,0,1]=4 356 B15R1.5919 NC(=O)CCC(=O)NCc1ccccc1 240690a_100015324214_100011215257 [0,0,0,0,0,1|1,0,2]=4 357 B15R1.5919 NC(=O)CCC(=O)NCc1ccccc1 527a_100015324214_100011215257 [0,0,0,0,0,1|1,0,2]=4 358 B15R1.5919 NC(=O)CCC(=O)NNc1ccccc1 22a_100015195140_100011215257 [0,0,0,0,0,1|1,0,2]=4 359 B15R1.5919 [13CH3]C(=O)CCC(=O)NCc1ccccc1 1458a_100000185749_200025704644 [0,0,0,0,0,1|1,0,2]=4 360 B15R1.5919 [13CH3]C(=O)CCC(=O)OCc1ccccc1 1458a_100000066287_200025704644 [0,0,0,0,0,1|2,0,1]=4 361 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [2,0,0,0,0,0|1,0,1]=4 362 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [2,0,0,0,0,0|1,0,1]=4 363 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [2,0,0,0,0,0|1,0,1]=4 364 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [2,0,0,0,0,0|1,0,1]=4 365 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [2,0,0,0,0,0|0,0,2]=4 366 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 34a_200025717232_200009817547 [1,1,0,0,0,0|2,0,0]=4 367 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 7a_200025717232_200015260668 [1,1,0,0,0,0|2,0,0]=4 368 B14R1.158 O=CCNCC(O)Cc1ccccc1 2230a_100000752270_200015260668 [1,1,0,0,0,0|1,0,1]=4 369 B14R1.158 O=CCOCC(=O)Nc1ccccc1 34a_100000246334_200009817547 [1,1,0,0,0,0|0,0,2]=4 370 B14R1.158 O=CCSCC(=O)Cc1ccccc1 62a_100000233483_200015260668 [1,1,0,0,0,0|1,0,1]=4 371 B14R1.158 O=CCSCC(=O)Cc1ccccc1 62a_200015260668_100000233483 [1,1,0,0,0,0|1,0,1]=4 372 B14R1.158 O=CCSCC(=O)Nc1ccccc1 62a_100012148978_200015260668 [1,1,0,0,0,0|0,0,2]=4 373 B14R1.158 O=CCSCC(=O)Nc1ccccc1 62a_200015260668_100000182850 [1,1,0,0,0,0|0,0,2]=4 374 B14R1.158 O=CCSCC(=O)Oc1ccccc1 62a_100009813826_200015260668 [1,1,0,0,0,0|1,0,1]=4 375 B14R1.158 O=CCSCC(=O)Oc1ccccc1 62a_200015260668_100009813826 [1,1,0,0,0,0|1,0,1]=4 376 B14R1.158 O=CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_200015260668 [1,1,0,0,0,0|1,0,1]=4 377 B14R1.158 O=CCSC[C@@H](O)Cc1ccccc1 62a_200015260668_100000729385 [1,1,0,0,0,0|1,0,1]=4 378 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [1,1,0,0,0,0|0,0,2]=4 379 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [1,1,0,0,0,0|1,0,1]=4 380 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [1,1,0,0,0,0|1,0,1]=4 381 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [1,1,0,0,0,0|1,0,1]=4 382 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [1,1,0,0,0,0|1,0,1]=4 383 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [1,1,0,0,0,0|2,0,0]=4 384 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [1,1,0,0,0,0|2,0,0]=4 385 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [1,1,0,0,0,0|2,0,0]=4 386 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [1,1,0,0,0,0|2,0,0]=4 387 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [1,1,0,0,0,0|2,0,0]=4 388 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [1,1,0,0,0,0|2,0,0]=4 389 B14R1.716 O=C(CO)CCCCc1ccccc1 1458a_100000210174_100000701786 [1,1,0,0,0,0|1,0,1]=4 390 B14R1.716 O=C(CO)CCCOc1ccccc1 1458a_100000210174_100000199009 [1,1,0,0,0,0|1,0,1]=4 391 B14R1.716 O=C(CO)CCCSc1ccccc1 1458a_100000210174_200011203293 [1,1,0,0,0,0|1,0,1]=4 392 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [1,1,0,0,0,0|2,0,0]=4 393 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [1,1,0,0,0,0|2,0,0]=4 394 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [1,1,0,0,0,0|2,0,0]=4 395 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [1,1,0,0,0,0|2,0,0]=4 396 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [1,1,0,0,0,0|2,0,0]=4 397 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [1,1,0,0,0,0|2,0,0]=4 398 B14R1.149 CN(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_200000210301 [0,1,0,0,1,0|2,0,0]=4 399 B14R1.149 [13CH3]N(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_200025704644 [0,1,0,0,1,0|2,0,0]=4 400 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [0,1,0,0,1,0|1,0,1]=4 401 B14R1.163 C#CC(=O)CCC(=O)c1ccccc1 1458a_100000211873_100000750707 [0,1,0,0,1,0|1,0,1]=4 402 B14R1.163 C#CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211873_100000729684 [0,1,0,0,1,0|1,0,1]=4 403 B14R1.163 C=CC(=O)CCC(=O)c1ccccc1 1458a_100000185746_100000750707 [0,1,0,0,1,0|1,0,1]=4 404 B14R1.163 C=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000185746_100000729684 [0,1,0,0,1,0|1,0,1]=4 405 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,1,0,0,1,0|1,0,1]=4 406 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,1,0,0,1,0|1,0,1]=4 407 B14R1.163 COC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000204255 [0,1,0,0,1,0|2,0,0]=4 408 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000204255 [0,1,0,0,1,0|2,0,0]=4 409 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100011203847_200000210301 [0,1,0,0,1,0|2,0,0]=4 410 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100000210012_100000742370 [0,1,0,0,1,0|2,0,0]=4 411 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100011203847_200000210301 [0,1,0,0,1,0|2,0,0]=4 412 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 269982a_100011203847_200025704644 [0,1,0,0,1,0|2,0,0]=4 413 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 34a_100011203847_200025704644 [0,1,0,0,1,0|2,0,0]=4 414 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,1,0,0,1,0|1,0,1]=4 415 B14R1.163 O=C(CO)CCC(=O)c1ccccc1 1458a_100000210174_100000750707 [0,1,0,0,1,0|0,0,1]=3 416 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [0,1,0,0,1,0|0,0,1]=3 417 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,1,0,0,1,0|1,0,1]=4 418 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [0,1,0,0,1,0|1,0,1]=4 419 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [0,1,0,0,1,0|1,0,1]=4 420 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,1,0,0,1,0|1,0,1]=4 421 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,1,0,0,1,0|1,0,1]=4 422 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000070787_100000701375 [0,1,0,0,1,0|1,0,1]=4 423 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000070787_100000211231 [0,1,0,0,1,0|1,0,1]=4 424 B16R1.613 CN(C(=O)CNCC(=O)O)c1ccccc1 269956a_100016091260_100000183487 [0,1,0,0,0,1|0,0,2]=4 425 B16R1.1067 Cc1ccc(cc1)NC(=O)CNCC(=O)O 269956a_100016091260_100000182914 [0,1,0,0,0,1|0,0,2]=4 426 B16R1.1067 O=C(O)CNCC(=O)Nc1ccc(cc1)Br 269956a_100016091260_100000183692 [0,1,0,0,0,1|0,0,2]=4 427 B16R1.1067 O=C(O)CNCC(=O)Nc1ccc(cc1)Cl 269956a_100016091260_100000182960 [0,1,0,0,0,1|0,0,2]=4 428 B16R1.1067 O=C(O)CNCC(=O)Nc1ccc(cc1)F 269956a_100016091260_100000181725 [0,1,0,0,0,1|0,0,2]=4 429 B16R1.1067 O=C(O)CNCC(=O)Nc1ccc(cc1)I 269956a_100016091260_100000183000 [0,1,0,0,0,1|0,0,2]=4 430 B16R1.1067 O=C(O)CNCC(=O)Nc1ccc(cc1)O 269956a_100016091260_100000233757 [0,1,0,0,0,1|0,0,2]=4 431 B16R1.1067 O=C(O)CNCC(=O)Oc1ccc(cc1)Br 269956a_100016091260_200010760497 [0,1,0,0,0,1|1,0,1]=4 432 B16R1.1284 CC(NCC(=O)O)C(=O)Nc1ccccc1 269956a_100016091260_100000183986 [0,1,0,0,0,1|0,0,2]=4 433 B16R1.1329 COC(=O)CCCC(=O)Cc1ccccc1 1458a_100000239890_100015291786 [0,1,0,0,0,1|1,0,1]=4 434 B16R1.1329 COC(=O)CCCC(=O)Nc1ccccc1 11a_100000106764_100000239890 [0,1,0,0,0,1|0,0,2]=4 435 B16R1.1329 COC(=O)CCCC(=O)Nc1ccccc1 1626a_100000106764_100000239890 [0,1,0,0,0,1|0,0,2]=4 436 B16R1.1329 COC(=O)CCCC(=O)Nc1ccccc1 22a_100000106764_100000239890 [0,1,0,0,0,1|0,0,2]=4 437 B16R1.1329 COC(=O)CCCC(=O)Nc1ccccc1 527a_100000106764_100000239890 [0,1,0,0,0,1|0,0,2]=4 438 B16R1.1329 COC(=O)CNCC(O)Cc1ccccc1 2230a_100000752270_100000747449 [0,1,0,0,0,1|1,0,1]=4 439 B16R1.1329 COC(=O)COC/C(=C/c1ccccc1)/C 34a_200025717232_100000747449 [0,1,0,0,0,1|2,0,0]=4 440 B16R1.1329 COC(=O)COC/C(=C/c1ccccc1)/C 7a_200025717232_100000747449 [0,1,0,0,0,1|2,0,0]=4 441 B16R1.1329 COC(=O)COCC(=O)Nc1ccccc1 34a_100000246334_100000747449 [0,1,0,0,0,1|0,0,2]=4 442 B16R1.1329 COC(=O)CSCC(=O)Cc1ccccc1 1458a_100000191316_100015291786 [0,1,0,0,0,1|1,0,1]=4 443 B16R1.1329 COC(=O)CSCC(=O)Cc1ccccc1 62a_100000233483_100000747449 [0,1,0,0,0,1|1,0,1]=4 444 B16R1.1329 COC(=O)CSCC(=O)Cc1ccccc1 62a_100000747449_100000233483 [0,1,0,0,0,1|1,0,1]=4 445 B16R1.1329 COC(=O)CSCC(=O)Nc1ccccc1 11a_100000106764_100000191316 [0,1,0,0,0,1|0,0,2]=4 446 B16R1.1329 COC(=O)CSCC(=O)Nc1ccccc1 1626a_100000106764_100000191316 [0,1,0,0,0,1|0,0,2]=4 447 B16R1.1329 COC(=O)CSCC(=O)Nc1ccccc1 22a_100000106764_100000191316 [0,1,0,0,0,1|0,0,2]=4 448 B16R1.1329 COC(=O)CSCC(=O)Nc1ccccc1 62a_100000747449_100000182850 [0,1,0,0,0,1|0,0,2]=4 449 B16R1.1329 COC(=O)CSCC(=O)Nc1ccccc1 62a_100012148978_100000747449 [0,1,0,0,0,1|0,0,2]=4 450 B16R1.1329 COC(=O)CSCC(=O)Oc1ccccc1 62a_100000747449_100009813826 [0,1,0,0,0,1|1,0,1]=4 451 B16R1.1329 COC(=O)CSCC(=O)Oc1ccccc1 62a_100009813826_100000747449 [0,1,0,0,0,1|1,0,1]=4 452 B16R1.1329 COC(=O)CSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000747449 [0,1,0,0,0,1|1,0,1]=4 453 B16R1.1329 COC(=O)CSC[C@@H](O)Cc1ccccc1 62a_100000747449_100000729385 [0,1,0,0,0,1|1,0,1]=4 454 B16R1.1329 O=C(CO)CCCC(=O)Nc1ccccc1 1458a_100000210174_100011194425 [0,1,0,0,0,1|0,0,2]=4 455 B16R1.4132 C[C@H](NCC(=O)Cc1ccccc1)C(=O)O 269956a_100000743915_100000233483 [0,1,0,0,0,1|1,0,1]=4 456 B16R1.4132 C[C@H](NCC(=O)Nc1ccccc1)C(=O)O 269956a_100000743915_100000182850 [0,1,0,0,0,1|0,0,2]=4 457 B16R1.4132 C[C@H](NCC(=O)Oc1ccccc1)C(=O)O 269956a_100000743915_100009813826 [0,1,0,0,0,1|1,0,1]=4 458 B16R1.4132 C[C@H](NC[C@@H](O)Cc1ccccc1)C(=O)O 269956a_100000743915_100000729385 [0,1,0,0,0,1|1,0,1]=4 459 B16R1.6940 CN(CC(=O)O)CC(=O)Cc1ccccc1 269956a_100000746989_100000233483 [0,1,0,0,0,1|1,0,1]=4 460 B16R1.6940 CN(CC(=O)O)CC(=O)Nc1ccccc1 269956a_100000746989_100000182850 [0,1,0,0,0,1|0,0,2]=4 461 B16R1.6940 CN(CC(=O)O)CC(=O)Oc1ccccc1 269956a_100000746989_100009813826 [0,1,0,0,0,1|1,0,1]=4 462 B16R1.6940 CN(CC(=O)O)C[C@@H](O)Cc1ccccc1 269956a_100000746989_100000729385 [0,1,0,0,0,1|1,0,1]=4 463 B16R1.7414 Cc1ccccc1CC(=O)CNCC(=O)O 269956a_100016091260_100011223134 [0,1,0,0,0,1|1,0,1]=4 464 B16R1.7414 Cc1ccccc1NC(=O)CNCC(=O)O 269956a_100016091260_100000183529 [0,1,0,0,0,1|0,0,2]=4 465 B16R1.7414 O=C(O)CNCC(=O)Cc1ccccc1Br 269956a_100016091260_100000700504 [0,1,0,0,0,1|1,0,1]=4 466 B16R1.7414 O=C(O)CNCC(=O)Nc1ccccc1Br 269956a_100016091260_100000182372 [0,1,0,0,0,1|0,0,2]=4 467 B16R1.7414 O=C(O)CNCC(=O)Nc1ccccc1Cl 269956a_100016091260_100000182448 [0,1,0,0,0,1|0,0,2]=4 468 B16R1.7414 O=C(O)CNCC(=O)Nc1ccccc1F 269956a_100016091260_100000182988 [0,1,0,0,0,1|0,0,2]=4 469 B16R1.7414 O=C(O)CNCC(=O)Nc1ccccc1I 269956a_100016091260_100000180142 [0,1,0,0,0,1|0,0,2]=4 470 B16R1.7414 O=C(O)CNCC(=O)Nc1ccccc1O 269956a_100016091260_100000014494 [0,1,0,0,0,1|0,0,2]=4 471 B16R1.11236 Cc1cccc(c1)NC(=O)CNCC(=O)O 269956a_100016091260_100000182861 [0,1,0,0,0,1|0,0,2]=4 472 B16R1.11236 O=C(O)CNCC(=O)Nc1cccc(c1)Br 269956a_100016091260_100000183509 [0,1,0,0,0,1|0,0,2]=4 473 B16R1.11236 O=C(O)CNCC(=O)Nc1cccc(c1)Cl 269956a_100016091260_100000182995 [0,1,0,0,0,1|0,0,2]=4 474 B16R1.11236 O=C(O)CNCC(=O)Nc1cccc(c1)F 269956a_100016091260_100000183335 [0,1,0,0,0,1|0,0,2]=4 475 B16R1.11236 O=C(O)CNCC(=O)Nc1cccc(c1)O 269956a_100016091260_100011236192 [0,1,0,0,0,1|0,0,2]=4 476 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210954 [0,1,0,0,0,1|1,0,1]=4 477 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210954 [0,1,0,0,0,1|1,0,1]=4 478 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210954 [0,1,0,0,0,1|1,0,1]=4 479 B16R1.1343 COC(=O)CCC(=NNc1ccccc1)C 4a_100015195140_100000756497 [0,1,0,0,0,1|1,0,0]=3 480 B16R1.1343 COC(=O)CCC(=NNc1ccccn1)C 4a_100000183288_100000756497 [0,1,0,0,0,1|2,0,0]=4 481 B16R1.1343 COC(=O)CCC(=NNc1cccnc1)C 4a_100000728903_100000756497 [0,1,0,0,0,1|2,0,0]=4 482 B16R1.1343 COC(=O)CCC(=NNc1ccncc1)C 4a_100000698918_100000756497 [0,1,0,0,0,1|2,0,0]=4 483 B16R1.1343 COC(=O)CCC(=O)CCc1ccccc1 1458a_100000187943_100000765856 [0,1,0,0,0,1|1,0,1]=4 484 B16R1.1343 COC(=O)CCC(=O)CNc1ccccc1 34a_100000106764_100000691467 [0,1,0,0,0,1|0,0,2]=4 485 B16R1.1343 COC(=O)CCC(=O)COc1ccccc1 34a_100000210340_100000691467 [0,1,0,0,0,1|1,0,1]=4 486 B16R1.1343 COC(=O)CCC(=O)COc1ccccc1 7a_100000210340_100000691467 [0,1,0,0,0,1|1,0,1]=4 487 B16R1.1343 COC(=O)CCC(=O)CSc1ccccc1 62a_100000691467_100000041952 [0,1,0,0,0,1|1,0,1]=4 488 B16R1.1343 COC(=O)CCC(=O)CSc1ccccc1 62a_100000719477_100000691467 [0,1,0,0,0,1|1,0,1]=4 489 B16R1.1343 COC(=O)CCC(=O)NCc1ccccc1 11a_100015324214_100000187943 [0,1,0,0,0,1|0,0,2]=4 490 B16R1.1343 COC(=O)CCC(=O)NCc1ccccc1 1626a_100015324214_100000187943 [0,1,0,0,0,1|0,0,2]=4 491 B16R1.1343 COC(=O)CCC(=O)NCc1ccccc1 240690a_100015324214_100000187943 [0,1,0,0,0,1|0,0,2]=4 492 B16R1.1343 COC(=O)CCC(=O)NCc1ccccc1 527a_100015324214_100000187943 [0,1,0,0,0,1|0,0,2]=4 493 B16R1.1343 O=C(CO)CCC(=O)OCc1ccccc1 1458a_100000210174_100009813219 [0,1,0,0,0,1|1,0,1]=4 494 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210954 [0,1,0,0,0,1|1,0,1]=4 495 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210954 [0,1,0,0,0,1|1,0,1]=4 496 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210954 [0,1,0,0,0,1|1,0,1]=4 497 B16R1.1147 COC(=O)CCC(=O)Cc1ccc(cc1)Br 1458a_100000187943_100000189115 [0,2,0,0,0,0|1,0,1]=4 498 B16R1.1147 COC(=O)CCC(=O)Cc1ccc(cc1)C 1458a_100000187943_100000210814 [0,2,0,0,0,0|1,0,1]=4 499 B16R1.1147 COC(=O)CCC(=O)Cc1ccc(cc1)Cl 1458a_100000187943_100000694040 [0,2,0,0,0,0|1,0,1]=4 500 B16R1.1147 COC(=O)CCC(=O)Cc1ccc(cc1)F 1458a_100000187943_100000198546 [0,2,0,0,0,0|1,0,1]=4 501 B16R1.1147 COC(=O)CCC(=O)Cc1ccc(cc1)I 1458a_100000187943_100000189116 [0,2,0,0,0,0|1,0,1]=4 502 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000187943 [0,2,0,0,0,0|0,0,2]=4 503 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000187943 [0,2,0,0,0,0|0,0,2]=4 504 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000187943 [0,2,0,0,0,0|0,0,2]=4 505 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000187943 [0,2,0,0,0,0|0,0,2]=4 506 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000187943 [0,2,0,0,0,0|0,0,2]=4 507 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000187943 [0,2,0,0,0,0|0,0,2]=4 508 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000187943 [0,2,0,0,0,0|0,0,2]=4 509 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000187943 [0,2,0,0,0,0|0,0,2]=4 510 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000187943 [0,2,0,0,0,0|0,0,2]=4 511 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000187943 [0,2,0,0,0,0|0,0,2]=4 512 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000187943 [0,2,0,0,0,0|0,0,2]=4 513 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000187943 [0,2,0,0,0,0|0,0,2]=4 514 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000187943 [0,2,0,0,0,0|0,0,2]=4 515 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000187943 [0,2,0,0,0,0|0,0,2]=4 516 B16R1.1147 COC(=O)CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000187943 [0,2,0,0,0,0|0,0,2]=4 517 B16R1.1147 Cc1ccc(cc1)NC(=O)CCC(=O)CO 1458a_100000210174_200000187088 [0,2,0,0,0,0|0,0,2]=4 518 B16R1.4671 N#CC(=Cc1ccc(cc1)Br)CCC(=O)O 6a_100000186029_100000075515 [0,2,0,0,0,0|2,0,0]=4 519 B16R1.4671 N#CC(=Cc1ccc(cc1)F)CCC(=O)O 6a_100000210084_100000075515 [0,2,0,0,0,0|2,0,0]=4 520 B16R1.4671 N#CC(=Cc1ccc(cc1)I)CCC(=O)O 6a_100000188517_100000075515 [0,2,0,0,0,0|2,0,0]=4 521 B16R1.1148 COC(=O)CCC(=O)Cc1cccc(c1)Br 1458a_100000187943_100000211773 [0,2,0,0,0,0|1,0,1]=4 522 B16R1.1148 COC(=O)CCC(=O)Cc1cccc(c1)C 1458a_100000187943_100000211840 [0,2,0,0,0,0|1,0,1]=4 523 B16R1.1148 COC(=O)CCC(=O)Cc1cccc(c1)Cl 1458a_100000187943_100000181238 [0,2,0,0,0,0|1,0,1]=4 524 B16R1.1148 COC(=O)CCC(=O)Cc1cccc(c1)F 1458a_100000187943_100000230114 [0,2,0,0,0,0|1,0,1]=4 525 B16R1.1148 COC(=O)CCC(=O)Cc1cccc(c1)I 1458a_100000187943_100011218688 [0,2,0,0,0,0|1,0,1]=4 526 B16R1.1148 COC(=O)CCC(=O)Cc1cccc(c1)O 1458a_100000187943_100011660834 [0,2,0,0,0,0|1,0,1]=4 527 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000187943 [0,2,0,0,0,0|0,0,2]=4 528 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000187943 [0,2,0,0,0,0|0,0,2]=4 529 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000187943 [0,2,0,0,0,0|0,0,2]=4 530 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000187943 [0,2,0,0,0,0|0,0,2]=4 531 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000187943 [0,2,0,0,0,0|0,0,2]=4 532 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000187943 [0,2,0,0,0,0|0,0,2]=4 533 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000187943 [0,2,0,0,0,0|0,0,2]=4 534 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000187943 [0,2,0,0,0,0|0,0,2]=4 535 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000187943 [0,2,0,0,0,0|0,0,2]=4 536 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000187943 [0,2,0,0,0,0|0,0,2]=4 537 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000187943 [0,2,0,0,0,0|0,0,2]=4 538 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000187943 [0,2,0,0,0,0|0,0,2]=4 539 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000187943 [0,2,0,0,0,0|0,0,2]=4 540 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000187943 [0,2,0,0,0,0|0,0,2]=4 541 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000187943 [0,2,0,0,0,0|0,0,2]=4 542 B16R1.1148 COC(=O)CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000187943 [0,2,0,0,0,0|0,0,2]=4 543 B16R1.1148 Cc1cccc(c1)NC(=O)CCC(=O)CO 1458a_100000210174_100011194834 [0,2,0,0,0,0|0,0,2]=4 544 B16R1.1148 O=C(CO)CCC(=O)Nc1cccc(c1)F 1458a_100000210174_100000242062 [0,2,0,0,0,0|0,0,2]=4 545 B16R1.4672 N#CC(=Cc1cccc(c1)Br)CCC(=O)O 6a_100000210085_100000075515 [0,2,0,0,0,0|2,0,0]=4 546 B16R1.4672 N#CC(=Cc1cccc(c1)F)CCC(=O)O 6a_100000210812_100000075515 [0,2,0,0,0,0|2,0,0]=4 547 B16R1.4672 N#CC(=Cc1cccc(c1)I)CCC(=O)O 6a_100000014684_100000075515 [0,2,0,0,0,0|2,0,0]=4 548 B16R1.7458 COC(=O)CCC(=O)Cc1ccccc1Br 1458a_100000187943_100000184730 [0,2,0,0,0,0|1,0,1]=4 549 B16R1.7458 COC(=O)CCC(=O)Cc1ccccc1C 1458a_100000187943_100000211839 [0,2,0,0,0,0|1,0,1]=4 550 B16R1.7458 COC(=O)CCC(=O)Cc1ccccc1Cl 1458a_100000187943_100000187162 [0,2,0,0,0,0|1,0,1]=4 551 B16R1.7458 COC(=O)CCC(=O)Cc1ccccc1F 1458a_100000187943_100000187165 [0,2,0,0,0,0|1,0,1]=4 552 B16R1.7458 COC(=O)CCC(=O)Cc1ccccc1I 1458a_100000187943_100011216222 [0,2,0,0,0,0|1,0,1]=4 553 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1Br 11a_100000210017_100000187943 [0,2,0,0,0,0|0,0,2]=4 554 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000187943 [0,2,0,0,0,0|0,0,2]=4 555 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1C 11a_100015192222_100000187943 [0,2,0,0,0,0|0,0,2]=4 556 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1C 1626a_100015192222_100000187943 [0,2,0,0,0,0|0,0,2]=4 557 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1C 527a_100015192222_100000187943 [0,2,0,0,0,0|0,0,2]=4 558 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000187943 [0,2,0,0,0,0|0,0,2]=4 559 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000187943 [0,2,0,0,0,0|0,0,2]=4 560 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000187943 [0,2,0,0,0,0|0,0,2]=4 561 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1F 11a_100000210422_100000187943 [0,2,0,0,0,0|0,0,2]=4 562 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1F 1626a_100000210422_100000187943 [0,2,0,0,0,0|0,0,2]=4 563 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1F 527a_100000210422_100000187943 [0,2,0,0,0,0|0,0,2]=4 564 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1I 11a_100000210053_100000187943 [0,2,0,0,0,0|0,0,2]=4 565 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1I 1626a_100000210053_100000187943 [0,2,0,0,0,0|0,0,2]=4 566 B16R1.7458 COC(=O)CCC(=O)Nc1ccccc1O 527a_100000185747_100000187943 [0,2,0,0,0,0|0,0,2]=4 567 B16R1.1127 COC(=O)CC(C)C(=O)Cc1ccccc1 1458a_100000037256_100015291786 [0,2,0,0,0,0|1,0,1]=4 568 B16R1.1127 COC(=O)CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000037256 [0,2,0,0,0,0|0,0,2]=4 569 B16R1.1127 COC(=O)CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000037256 [0,2,0,0,0,0|0,0,2]=4 570 B16R1.1127 COC(=O)CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000037256 [0,2,0,0,0,0|0,0,2]=4 571 B16R1.934 CCOC(=O)CCC(=O)Cc1ccccc1 1458a_100000183558_100015291786 [0,2,0,0,0,0|1,0,1]=4 572 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000183558 [0,2,0,0,0,0|0,0,2]=4 573 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000183558 [0,2,0,0,0,0|0,0,2]=4 574 B16R1.934 COCC(=O)CCC(=O)Nc1ccccc1 1458a_100000210968_100000242058 [0,2,0,0,0,0|0,0,2]=4 575 B16R1.934 COCC(=O)CCC(=O)Oc1ccccc1 1458a_100000210968_200000035796 [0,2,0,0,0,0|1,0,1]=4 576 B16R1.934 O=C(CCO)CCC(=O)Nc1ccccc1 1458a_100000180958_100000211926 [0,2,0,0,0,0|0,0,2]=4 577 B16R1.934 O=C(CCO)CCC(=O)Nc1ccccc1 1458a_100011216618_100000242058 [0,2,0,0,0,0|0,0,2]=4 578 B16R1.934 O=C(CCO)CCC(=O)Oc1ccccc1 1458a_100011216618_200000035796 [0,2,0,0,0,0|1,0,1]=4 579 B16R1.2925 CN(C(=O)CCC(=O)CO)c1ccccc1 1458a_100000210174_100000691765 [0,2,0,0,0,0|0,0,2]=4 580 B16R1.2925 COC(=O)CCC(=O)C(C)c1ccccc1 1458a_100000187943_100000230085 [0,2,0,0,0,0|1,0,1]=4 581 B16R1.2925 COC(=O)CCC(=O)N(C)c1ccccc1 11a_100000210012_100000187943 [0,2,0,0,0,0|0,0,2]=4 582 B16R1.2925 COC(=O)CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000187943 [0,2,0,0,0,0|0,0,2]=4 583 B16R1.3274 CNC(CC(=O)Nc1ccccc1)C(=O)O 269956a_100000067582_200000210301 [0,2,0,0,0,0|0,0,2]=4 584 B16R1.3274 [13CH3]NC(CC(=O)Nc1ccccc1)C(=O)O 269956a_100000067582_200025704644 [0,2,0,0,0,0|0,0,2]=4 585 B14R2.67 O=CCSc1cc2ccccc2o1 62a_200015260668_100010159458 [1,0,0,1,0,0|2,0,0]=4 586 B14R2.67 O=CCSc1nc2ccccc2[nH]1 62a_200015260668_100009814255 [1,0,0,1,0,0|2,0,0]=4 587 B14R2.67 O=CCSc1nc2ccccc2s1 62a_200015260668_100000751744 [1,0,0,1,0,0|1,1,0]=4 588 B14R2.2 CC(=O)Cn1cnc2c1cccc2 1458a_100025771165_200000210301 [1,0,0,1,0,0|2,0,0]=4 589 B14R2.2 [13CH3]C(=O)Cn1cnc2c1cccc2 1458a_100025771165_200025704644 [1,0,0,1,0,0|2,0,0]=4 590 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,0,0,1,1,0|1,0,1]=4 591 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,0,0,1,1,0|2,0,0]=4 592 B14R2.768 CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000070787_100000737899 [0,0,0,1,1,0|2,0,0]=4 593 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100000070787_100000195508 [0,0,0,1,1,0|1,0,0]=3 594 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000210301 [0,0,0,1,1,0|1,0,0]=3 595 B14R2.768 CC(=O)Cc1nc2ccccc2s1 1458a_100000070787_100011217541 [0,0,0,1,1,0|1,1,0]=4 596 B14R2.768 CC(=O)Cc1nc2ncccc2o1 1458a_100000070787_100000696355 [0,0,0,1,1,0|2,0,0]=4 597 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,0,0,1,1,0|2,0,0]=4 598 B14R2.768 [13CH3]C(=O)Cc1nc2ccccc2o1 1458a_100015185861_200025704644 [0,0,0,1,1,0|1,0,0]=3 599 B16R2.492 C=C(C)COCc1nc2ccccc2o1 34a_100000210245_200012361514 [0,0,0,1,0,1|2,0,0]=4 600 B16R2.492 C=C(C)CSCc1nc2ccccc2o1 62a_100000748629_100000195508 [0,0,0,1,0,1|2,0,0]=4 601 B16R2.492 C=C(F)COCc1nc2ccccc2o1 34a_200010262243_200012361514 [0,0,0,1,0,1|2,0,0]=4 602 B16R2.492 C=C(F)CSCc1nc2ccccc2o1 62a_100000042424_100000195508 [0,0,0,1,0,1|2,0,0]=4 603 B16R2.492 CC(=O)CCCc1nc2ccccc2[nH]1 1458a_100000738306_200000210301 [0,0,0,1,0,1|2,0,0]=4 604 B16R2.492 CC(=O)CCCc1nc2ccccc2s1 1458a_100000182738_200000210301 [0,0,0,1,0,1|1,1,0]=4 605 B16R2.492 CC(=O)CCSc1cc2ccccc2o1 62a_100000053229_100010159458 [0,0,0,1,0,1|2,0,0]=4 606 B16R2.492 CC(=O)CCSc1nc2ccccc2[nH]1 62a_100000053229_100009814255 [0,0,0,1,0,1|2,0,0]=4 607 B16R2.492 CC(=O)CCSc1nc2ccccc2s1 1458a_100000197518_200000210301 [0,0,0,1,0,1|1,1,0]=4 608 B16R2.492 CC(=O)CCSc1nc2ccccc2s1 62a_100000053229_100000751744 [0,0,0,1,0,1|1,1,0]=4 609 B16R2.492 CC(=O)COCc1nc2ccccc2o1 34a_100000211253_200012361514 [0,0,0,1,0,1|1,0,0]=3 610 B16R2.492 CC(=O)COCc1nc2ccccc2s1 1458a_100000203693_200000210301 [0,0,0,1,0,1|1,1,0]=4 611 B16R2.492 CC(=O)COCc1nc2ccccc2s1 34a_100000211253_100011217541 [0,0,0,1,0,1|1,1,0]=4 612 B16R2.492 CC(=O)CSCc1nc2ccccc2[nH]1 1458a_100000181157_200000210301 [0,0,0,1,0,1|2,0,0]=4 613 B16R2.492 CC(=O)CSCc1nc2ccccc2s1 1458a_100000150138_200000210301 [0,0,0,1,0,1|1,1,0]=4 614 B16R2.492 CC(=O)NCCc1nc2ccccc2[nH]1 240690a_100015184290_100015343762 [0,0,0,1,0,1|2,0,0]=4 615 B16R2.492 CC(=O)NCCc1nc2ccccc2[nH]1 527a_100015184290_100103153847 [0,0,0,1,0,1|2,0,0]=4 616 B16R2.492 CC(=O)NCCc1nc2ccccc2s1 11a_200000203819_100015343762 [0,0,0,1,0,1|1,1,0]=4 617 B16R2.492 CC(=O)NCCc1nc2ccccc2s1 1626a_200000203819_100015343762 [0,0,0,1,0,1|1,1,0]=4 618 B16R2.492 CC(=O)NCCc1nc2ccccc2s1 240690a_200000203819_100015343762 [0,0,0,1,0,1|1,1,0]=4 619 B16R2.492 CC(O)CNCc1nc2ccccc2o1 2230a_100000210904_100000195508 [0,0,0,1,0,1|1,0,1]=4 620 B16R2.492 CC(O)CNCc1nc2ccccc2o1 34a_100000210904_200012361514 [0,0,0,1,0,1|1,0,1]=4 621 B16R2.492 CC(O)CSCc1nc2ccccc2o1 62a_100011218427_100000195508 [0,0,0,1,0,1|1,0,1]=4 622 B16R2.492 C[C@@H](O)CSCc1nc2ccccc2o1 62a_100009817552_100000195508 [0,0,0,1,0,1|1,0,1]=4 623 B16R2.492 NC(=O)CCNc1nc2ccccc2[nH]1 27a_100000740010_100009814255 [0,0,0,1,0,1|2,0,0]=4 624 B16R2.492 NC(=O)CCNc1nc2ccccc2s1 27a_100000740010_100000751744 [0,0,0,1,0,1|1,1,0]=4 625 B16R2.492 NC(=O)CCSc1cc2ccccc2o1 62a_100000744528_100010159458 [0,0,0,1,0,1|2,0,0]=4 626 B16R2.492 NC(=O)CCSc1nc2ccccc2[nH]1 62a_100000744528_100009814255 [0,0,0,1,0,1|2,0,0]=4 627 B16R2.492 NC(=O)CCSc1nc2ccccc2s1 62a_100000744528_100000751744 [0,0,0,1,0,1|1,1,0]=4 628 B16R2.492 NC(=O)CNCc1nc2ccccc2[nH]1 2230a_100000711301_100000737899 [0,0,0,1,0,1|2,0,0]=4 629 B16R2.492 NC(=O)CNCc1nc2ccccc2o1 2230a_100000711301_100000195508 [0,0,0,1,0,1|1,0,0]=3 630 B16R2.492 NC(=O)CNCc1nc2ccccc2s1 2230a_100000711301_100000766747 [0,0,0,1,0,1|1,1,0]=4 631 B16R2.492 NC(=O)CNCc1nc2ncccc2o1 2230a_100000711301_100000696355 [0,0,0,1,0,1|2,0,0]=4 632 B16R2.492 NC(=O)COCc1cc2ccccc2o1 34a_100000233474_100000187820 [0,0,0,1,0,1|2,0,0]=4 633 B16R2.492 NC(=O)COCc1cc2ccccc2o1 7a_100000233474_100000187820 [0,0,0,1,0,1|2,0,0]=4 634 B16R2.492 NC(=O)CSCc1nc2ccccc2[nH]1 62a_100000747473_100000737899 [0,0,0,1,0,1|2,0,0]=4 635 B16R2.492 NC(=O)CSCc1nc2ccccc2o1 62a_100000747473_100000195508 [0,0,0,1,0,1|1,0,0]=3 636 B16R2.492 NC(=O)CSCc1nc2ccccc2s1 62a_100000747473_100000766747 [0,0,0,1,0,1|1,1,0]=4 637 B16R2.492 NC(=O)CSCc1nc2ccccc2s1 62a_100011217541_100000747473 [0,0,0,1,0,1|1,1,0]=4 638 B16R2.492 NC(=O)CSCc1nc2ncccc2o1 62a_100000747473_100000696355 [0,0,0,1,0,1|2,0,0]=4 639 B16R2.492 O=C(O)CNCc1cn2ccccc2n1 269956a_100016091260_100000689847 [0,0,0,1,0,1|2,0,0]=4 640 B16R2.492 O=C(O)CNCc1nc2ccccc2[nH]1 269956a_100016091260_100000737899 [0,0,0,1,0,1|1,0,0]=3 641 B16R2.492 O=C([O-])COCc1cc2ccccc2o1 34a_100000233474_100020667443 [0,0,0,1,0,1|1,0,1]=4 642 B16R2.492 O=C([O-])CSCc1nc2ccccc2[nH]1 62a_100020667443_100000737899 [0,0,0,1,0,1|1,0,1]=4 643 B16R2.492 O=C([O-])CSCc1nc2ccccc2o1 62a_100020667443_100000195508 [0,0,0,1,0,1|0,0,1]=3 644 B16R2.492 O=C([O-])CSCc1nc2ccccc2s1 62a_100011217541_100020667443 [0,0,0,1,0,1|0,1,1]=4 645 B16R2.492 O=C([O-])CSCc1nc2ccccc2s1 62a_100020667443_100000766747 [0,0,0,1,0,1|0,1,1]=4 646 B16R2.492 O=C([O-])CSCc1nc2ncccc2o1 62a_100020667443_100000696355 [0,0,0,1,0,1|1,0,1]=4 647 B16R2.492 [13CH3]C(=O)CCCc1nc2ccccc2[nH]1 1458a_100000738306_200025704644 [0,0,0,1,0,1|2,0,0]=4 648 B16R2.492 [13CH3]C(=O)CCCc1nc2ccccc2s1 1458a_100000182738_200025704644 [0,0,0,1,0,1|1,1,0]=4 649 B16R2.492 [13CH3]C(=O)CCSc1nc2ccccc2s1 1458a_100000197518_200025704644 [0,0,0,1,0,1|1,1,0]=4 650 B16R2.492 [13CH3]C(=O)COCc1nc2ccccc2s1 1458a_100000203693_200025704644 [0,0,0,1,0,1|1,1,0]=4 651 B16R2.492 [13CH3]C(=O)CSCc1nc2ccccc2[nH]1 1458a_100000181157_200025704644 [0,0,0,1,0,1|2,0,0]=4 652 B16R2.492 [13CH3]C(=O)CSCc1nc2ccccc2s1 1458a_100000150138_200025704644 [0,0,0,1,0,1|1,1,0]=4 653 B16R2.2843 O=C1CC[C@H](O1)C(=O)Cc2ccccc2 1458a_100009814974_100015291786 [0,0,0,1,0,1|1,0,1]=4 654 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 11a_100000106764_100009814974 [0,0,0,1,0,1|0,0,2]=4 655 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 1626a_100000106764_100009814974 [0,0,0,1,0,1|0,0,2]=4 656 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 22a_100000106764_100009814974 [0,0,0,1,0,1|0,0,2]=4 657 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 527a_100000106764_100009814974 [0,0,0,1,0,1|0,0,2]=4 658 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000070787_100000187625 [0,0,0,1,0,1|1,0,1]=4 659 B16R2.4003 CC(=O)CCn1c(nc2c1cccc2)C 1458a_100000704157_200000210301 [0,0,0,1,0,1|2,0,0]=4 660 B16R2.4003 Cc1nc2ccccc2n1CCC(=O)[13CH3] 1458a_100000704157_200025704644 [0,0,0,1,0,1|2,0,0]=4 661 B16R2.4003 O=C(O)CNC1C(=O)Nc2c1cccc2 269956a_100016091260_200009996675 [0,0,0,1,0,1|0,0,2]=4 662 B16R2.12099 CC(=O)CCc1nc2cc(ccc2[nH]1)Cl 1458a_100011243854_200000210301 [0,1,0,1,0,0|2,0,0]=4 663 B16R2.12099 CC(=O)CCc1nc2cc(ccc2[nH]1)F 1458a_100102525008_200000210301 [0,1,0,1,0,0|2,0,0]=4 664 B16R2.12099 [13CH3]C(=O)CCc1nc2cc(ccc2[nH]1)Cl 1458a_100011243854_200025704644 [0,1,0,1,0,0|2,0,0]=4 665 B16R2.12099 [13CH3]C(=O)CCc1nc2cc(ccc2[nH]1)F 1458a_100102525008_200025704644 [0,1,0,1,0,0|2,0,0]=4 666 B16R2.11592 CC(=O)CC(O)c1nc2ccccc2[nH]1 1458a_100000011586_200000210301 [0,1,0,1,0,0|2,0,0]=4 667 B16R2.11592 [13CH3]C(=O)CC(O)c1nc2ccccc2[nH]1 1458a_100000011586_200025704644 [0,1,0,1,0,0|2,0,0]=4 668 B16R2.1181 C=CC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100000185746 [0,1,0,1,0,0|2,0,0]=4 669 B16R2.1181 C=CC(=O)NCc1nc2ccccc2o1 240690a_100000733820_200121576911 [0,1,0,1,0,0|2,0,0]=4 670 B16R2.1181 CCC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_100000210202 [0,1,0,1,0,0|2,0,0]=4 671 B16R2.1181 CCC(=O)CCc1nc2ccccc2s1 1458a_100000182949_100000210202 [0,1,0,1,0,0|1,1,0]=4 672 B16R2.1181 CCC(=O)CSc1nc2ccccc2o1 1458a_200000179485_100000210202 [0,1,0,1,0,0|2,0,0]=4 673 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 11a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 674 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 675 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 676 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 527a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 677 B16R2.1181 CNC(=O)CCc1nc2ccccc2[nH]1 11a_106832991635_100102526157 [0,1,0,1,0,0|2,0,0]=4 678 B16R2.1181 CNC(=O)CCc1nc2ccccc2[nH]1 1626a_100102657272_100102526157 [0,1,0,1,0,0|2,0,0]=4 679 B16R2.1181 CNC(=O)CCc1nc2ccccc2[nH]1 240690a_100102657272_100102526157 [0,1,0,1,0,0|2,0,0]=4 680 B16R2.1181 CNC(=O)CCc1nc2ccccc2[nH]1 527a_100102657272_100102526157 [0,1,0,1,0,0|2,0,0]=4 681 B16R2.1181 CNC(=O)CCc1nc2ccccc2s1 11a_106832991635_100000182949 [0,1,0,1,0,0|1,1,0]=4 682 B16R2.1181 CNC(=O)CCc1nc2ccccc2s1 240690a_100102657272_100000182949 [0,1,0,1,0,0|1,1,0]=4 683 B16R2.1181 CNC(=O)CCc1nc2ccccc2s1 527a_100102657272_100000182949 [0,1,0,1,0,0|1,1,0]=4 684 B16R2.1181 CNC(=O)CSc1nc2ccccc2o1 527a_100102657272_200000179485 [0,1,0,1,0,0|2,0,0]=4 685 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 2708a_100000733820_106832991635 [0,1,0,1,0,0|2,0,0]=4 686 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 2708a_100102657272_100000733820 [0,1,0,1,0,0|2,0,0]=4 687 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 273464a_100000733820_100102657272 [0,1,0,1,0,0|2,0,0]=4 688 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 273464a_100102657272_100000733820 [0,1,0,1,0,0|2,0,0]=4 689 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 512a_100000733820_100102657272 [0,1,0,1,0,0|2,0,0]=4 690 B16R2.1181 CNC(=O)NCc1nc2ccccc2o1 512a_106832991638_100000733820 [0,1,0,1,0,0|2,0,0]=4 691 B16R2.1181 COC(=O)CSc1cc2ccccc2o1 62a_100000747449_100010159458 [0,1,0,1,0,0|2,0,0]=4 692 B16R2.1181 COC(=O)CSc1nc2ccccc2[nH]1 62a_100000747449_100009814255 [0,1,0,1,0,0|2,0,0]=4 693 B16R2.1181 COC(=O)CSc1nc2ccccc2s1 62a_100000747449_100000751744 [0,1,0,1,0,0|1,1,0]=4 694 B16R2.1181 O=C(CF)CCc1nc2ccccc2[nH]1 1458a_100102526157_100015361967 [0,1,0,1,0,0|2,0,0]=4 695 B16R2.1181 O=C(CF)CCc1nc2ccccc2s1 1458a_100000182949_100015361967 [0,1,0,1,0,0|1,1,0]=4 696 B16R2.1181 O=C(CF)CSc1nc2ccccc2o1 1458a_200000179485_100015361967 [0,1,0,1,0,0|2,0,0]=4 697 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 240690a_100011220112_100000210174 [0,1,0,1,0,0|2,0,0]=4 698 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 527a_100011220112_100000210174 [0,1,0,1,0,0|2,0,0]=4 699 B16R2.1181 O=C(CO)NCc1nc2ccccc2[nH]1 240690a_100000729406_100000210174 [0,1,0,1,0,0|2,0,0]=4 700 B16R2.1181 O=C(CO)NCc1nc2ccccc2[nH]1 527a_100000729406_100000210174 [0,1,0,1,0,0|2,0,0]=4 701 B16R2.1181 O=C(CO)NCc1nc2ccccc2o1 240690a_100000733820_100000210174 [0,1,0,1,0,0|1,0,0]=3 702 B16R2.1181 O=C(CO)NCc1nc2ccccc2o1 527a_100000733820_100000210174 [0,1,0,1,0,0|1,0,0]=3 703 B16R2.1181 O=C(CO)NCc1nc2ccccc2s1 240690a_100000174905_100000210174 [0,1,0,1,0,0|1,1,0]=4 704 B16R2.1181 O=C(CO)NCc1nc2ccccc2s1 527a_100000174905_100000210174 [0,1,0,1,0,0|1,1,0]=4 705 B16R2.1181 O=C(CO)NNc1nc2ccccc2o1 22a_100000182307_100000210174 [0,1,0,1,0,0|2,0,0]=4 706 B16R2.33951 COC(=O)c1cc(nc2c1cccc2)O 271570a_203496583355_100010890096 [0,1,0,1,0,0|0,0,2]=4 707 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [1,0,0,0,1,0|1,0,1]=4 708 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [1,0,0,0,1,0|0,0,2]=4 709 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,0,0,1,0|1,0,1]=4 710 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,0,0,1,0|1,0,1]=4 711 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,0,0,1,0|1,0,1]=4 712 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,0,0,1,0|1,0,1]=4 713 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,1,0|2,0,0]=4 714 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,1,0|2,0,0]=4 715 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,1,0|2,0,0]=4 716 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,0,0,0,1,0|2,0,0]=4 717 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,0,0,0,1,0|2,0,0]=4 718 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,0,0,0,1,0|2,0,0]=4 719 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,0,0,0,1,0|2,0,0]=4 720 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,0,0,0,1,0|1,0,1]=4 721 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,0,0,0,1,0|2,0,0]=4 722 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,0,0,0,1,0|2,0,0]=4 723 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,0,0,0,1,0|2,0,0]=4 724 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,0,0,0,1,0|2,0,0]=4 725 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,0,0,0,1,0|1,0,1]=4 726 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,0,0,1,0|1,0,1]=4 727 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,0,0,1,0|1,0,1]=4 728 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,1,0|2,0,0]=4 729 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,0,0,0,1,0|2,0,0]=4 730 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,2,0|1,0,1]=4 731 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,2,0|1,0,1]=4 732 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,2,0|1,0,1]=4 733 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,2,0|1,0,1]=4 734 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,0,0,2,0|2,0,0]=4 735 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,0,0,2,0|1,0,1]=4 736 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,0,0,2,0|0,0,2]=4 737 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,2,0|1,0,1]=4 738 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,0,0,2,0|2,0,0]=4 739 B14R1.156 C=CCCC(=NNc1ccccc1)C 4a_100015195140_100000762624 [1,0,0,0,0,1|2,0,0]=4 740 B14R1.156 CC(=NNc1ccccc1)CCCO 4a_100015195140_100000759063 [1,0,0,0,0,1|1,0,1]=4 741 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [1,0,0,0,0,1|2,0,0]=4 742 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100000711301_100016265936 [1,0,0,0,0,1|2,0,0]=4 743 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747473 [1,0,0,0,0,1|2,0,0]=4 744 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000187820 [1,0,0,0,0,1|2,0,0]=4 745 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [1,0,0,0,0,1|2,0,0]=4 746 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100000747473_100016265936 [1,0,0,0,0,1|2,0,0]=4 747 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747473 [1,0,0,0,0,1|2,0,0]=4 748 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [1,0,0,0,0,1|1,0,0]=3 749 B14R1.422 O=C(O)CNCC#Cc1ccccc1 269956a_100016091260_100011352542 [1,0,0,0,0,1|1,0,1]=4 750 B14R1.422 O=C(O)CNCCCc1ccccc1 269956a_100016091260_100000211621 [1,0,0,0,0,1|1,0,1]=4 751 B14R1.422 O=C(O)CNCCOc1ccccc1 269956a_100016091260_100000184471 [1,0,0,0,0,1|1,0,1]=4 752 B14R1.422 O=C(O)CNCCSc1ccccc1 269956a_100016091260_100000246102 [1,0,0,0,0,1|1,0,1]=4 753 B14R1.422 O=C(O)CNCOCc1ccccc1 269956a_100016091260_100000763385 [1,0,0,0,0,1|2,0,0]=4 754 B14R1.422 O=C(O)CNCSCc1ccccc1 269956a_100016091260_200011217039 [1,0,0,0,0,1|2,0,0]=4 755 B14R1.422 O=C([O-])CNC/C=C/c1ccccc1 34a_100020603302_100020667443 [1,0,0,0,0,1|1,0,1]=4 756 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [1,0,0,0,0,1|1,0,1]=4 757 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100016265936_100020667443 [1,0,0,0,0,1|1,0,1]=4 758 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100020667443_100016265936 [1,0,0,0,0,1|1,0,1]=4 759 B16R1.608 O=C(O)CNCC(=O)CCc1ccccc1 269956a_100016091260_100012361361 [0,0,0,0,0,2|1,0,1]=4 760 B16R1.608 O=C(O)CNCC(=O)NCc1ccccc1 269956a_100016091260_100000183539 [0,0,0,0,0,2|0,0,2]=4 761 B16R1.608 O=C(O)CNCC(=O)OCc1ccccc1 269956a_100016091260_100000753625 [0,0,0,0,0,2|1,0,1]=4 762 B16R1.610 O=C(O)CNCCC(=O)Nc1ccccc1 269956a_100016091260_100000242058 [0,0,0,0,0,2|0,0,2]=4 763 B16R1.610 O=C(O)CNCCC(=O)Oc1ccccc1 269956a_100016091260_200000035796 [0,0,0,0,0,2|1,0,1]=4 764 B16R1.610 O=C(O)CONCC(=O)Cc1ccccc1 269956a_100000106656_100000233483 [0,0,0,0,0,2|1,0,1]=4 765 B16R1.610 O=C(O)CONCC(=O)Nc1ccccc1 269956a_100000106656_100000182850 [0,0,0,0,0,2|0,0,2]=4 766 B16R1.610 O=C(O)CONCC(=O)Oc1ccccc1 269956a_100000106656_100009813826 [0,0,0,0,0,2|1,0,1]=4 767 B16R1.610 O=C(O)CONC[C@@H](O)Cc1ccccc1 269956a_100000106656_100000729385 [0,0,0,0,0,2|1,0,1]=4