0 B13R1.344 C=C(C)CCC(=O)Cc1cccs1 1458a_100000210189_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.344 C=C(C)CNC(=O)Cc1ccc[nH]1 11a_100000765925_100000238377 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.344 C=C(C)CNC(=O)Cc1ccc[nH]1 240690a_100000765925_100000238377 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.344 C=C(C)CNC(=O)Cc1ccc[nH]1 527a_100000765925_100000238377 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 11a_100000765925_100011217309 [0,0,0,0,0,0|3,1,0]=4 5 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 527a_100000765925_100011217309 [0,0,0,0,0,0|3,1,0]=4 6 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 11a_100000765925_100000210189 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 1626a_100000765925_100000210189 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.344 C=C(C)CNC(=O)Cc1cccs1 240690a_100000765925_100000210189 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.344 CC(=O)NNC(=O)Cc1cccs1 22a_100000189765_100000210189 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.344 CC(=O)NNC(=O)Cc1cccs1 22a_100000189772_100000070787 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.344 CC(C)CCC(=O)Cc1cccs1 1458a_100000210189_100000210312 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 11a_100000210953_100000238377 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 240690a_100000210953_100000238377 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 527a_100000210953_100000238377 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.344 CC(C)CNC(=O)Cc1ccco1 11a_100000210953_100011217309 [0,0,0,0,0,0|3,1,0]=4 16 B13R1.344 CC(C)CNC(=O)Cc1ccco1 527a_100000210953_100011217309 [0,0,0,0,0,0|3,1,0]=4 17 B13R1.344 CC(C)CNC(=O)Cc1cccs1 11a_100000210953_100000210189 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.344 CC(C)CNC(=O)Cc1cccs1 1626a_100000210953_100000210189 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.344 CC(C)CNC(=O)Cc1cccs1 240690a_100000210953_100000210189 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.344 CC(C)NNC(=O)Cc1cccs1 22a_100000741168_100000210189 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.344 CC(Cc1cccs1)NC[C@@H](C)O 2230a_100000751415_100009817552 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.344 CC(O)CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100012276601 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.344 CC(O)CCC(=O)Cc1ccco1 1458a_100011217309_100012276601 [0,0,0,0,0,0|3,1,0]=4 24 B13R1.344 CC(O)CCC(=O)Cc1cccs1 1458a_100000210189_100012276601 [0,0,0,0,0,0|3,0,0]=3 25 B13R1.344 CC(O)CNC(=O)Cc1c[nH]cn1 240690a_100000210904_100015291406 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.344 CC(O)CNC(=O)Cc1ccc[nH]1 11a_100000210904_100000238377 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.344 CC(O)CNC(=O)Cc1ccc[nH]1 240690a_100000210904_100000238377 [0,0,0,0,0,0|3,0,0]=3 28 B13R1.344 CC(O)CNC(=O)Cc1ccc[nH]1 527a_100000210904_100000238377 [0,0,0,0,0,0|3,0,0]=3 29 B13R1.344 CC(O)CNC(=O)Cc1ccco1 11a_100000210904_100011217309 [0,0,0,0,0,0|2,1,0]=3 30 B13R1.344 CC(O)CNC(=O)Cc1ccco1 527a_100000210904_100011217309 [0,0,0,0,0,0|2,1,0]=3 31 B13R1.344 CC(O)CNC(=O)Cc1cccs1 11a_100000210904_100000210189 [0,0,0,0,0,0|2,0,0]=2 32 B13R1.344 CC(O)CNC(=O)Cc1cccs1 240690a_100000210904_100000210189 [0,0,0,0,0,0|2,0,0]=2 33 B13R1.344 CC(O)CNC(=O)Cc1ccn[nH]1 11a_100000210904_100000752941 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.344 CC(O)CNC(=O)Cc1ccn[nH]1 240690a_100000210904_100000752941 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.344 CC(O)CNC(=O)Cc1ccn[nH]1 527a_100000210904_100000752941 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.344 CC(O)CNC(=O)Cc1ccoc1 11a_100000210904_100000684892 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.344 CC(O)CNC(=O)Cc1ccoc1 240690a_100000210904_100000684892 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.344 CC(O)CNC(=O)Cc1ccoc1 527a_100000210904_100000684892 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.344 CC(O)CNC(=O)Cc1ccsc1 11a_100000210904_100000184062 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.344 CC(O)CNC(=O)Cc1ccsc1 240690a_100000210904_100000184062 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.344 CC(O)CNC(=O)Cc1ccsc1 527a_100000210904_100000184062 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.344 CC(O)CNC(=O)Cc1cscn1 11a_100000210904_100011438297 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.344 CC(O)CNC(=O)Cc1cscn1 240690a_100000210904_100011438297 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.344 CC(O)CNC(=O)Cc1cscn1 527a_100000210904_100011438297 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.344 CC(O)CNC(=O)Cn1cccc1 11a_100000210904_100011196272 [0,0,0,0,0,0|4,0,0]=4 46 B13R1.344 CC(O)CNC(=O)Cn1cccc1 527a_100000210904_100011196272 [0,0,0,0,0,0|4,0,0]=4 47 B13R1.344 CC(O)CNC(=O)Cn1cccn1 11a_100000210904_100000233772 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.344 CC(O)CNC(=O)Cn1cccn1 240690a_100000210904_100000233772 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.344 CC(O)CNC(=O)Cn1cccn1 527a_100000210904_100000233772 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.344 CC(O)CNC(C)Cc1cccs1 2230a_100000751415_100011218427 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.344 NC(=O)CNC(=O)Cc1ccc[nH]1 11a_100000711301_100000238377 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.344 NC(=O)CNC(=O)Cc1ccc[nH]1 240690a_100000711301_100000238377 [0,0,0,0,0,0|3,0,1]=4 53 B13R1.344 NC(=O)CNC(=O)Cc1ccc[nH]1 527a_100000711301_100000238377 [0,0,0,0,0,0|3,0,1]=4 54 B13R1.344 NC(=O)CNC(=O)Cc1ccco1 11a_100000711301_100011217309 [0,0,0,0,0,0|2,1,1]=4 55 B13R1.344 NC(=O)CNC(=O)Cc1ccco1 527a_100000711301_100011217309 [0,0,0,0,0,0|2,1,1]=4 56 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 11a_100000711301_100000210189 [0,0,0,0,0,0|2,0,1]=3 57 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 240690a_100000711301_100000210189 [0,0,0,0,0,0|2,0,1]=3 58 B13R1.344 O=C(Cc1ccc[nH]1)NCC(F)F 11a_100000765723_100000238377 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.344 O=C(Cc1ccc[nH]1)NCC(F)F 240690a_100000765723_100000238377 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.344 O=C(Cc1ccc[nH]1)NCC(F)F 527a_100000765723_100000238377 [0,0,0,0,0,0|4,0,0]=4 61 B13R1.344 O=C(Cc1ccco1)NCC(F)F 11a_100000765723_100011217309 [0,0,0,0,0,0|3,1,0]=4 62 B13R1.344 O=C(Cc1ccco1)NCC(F)F 527a_100000765723_100011217309 [0,0,0,0,0,0|3,1,0]=4 63 B13R1.344 O=C(Cc1cccs1)NCC(F)F 11a_100000765723_100000210189 [0,0,0,0,0,0|3,0,0]=3 64 B13R1.344 O=C(Cc1cccs1)NCC(F)F 1626a_100000765723_100000210189 [0,0,0,0,0,0|3,0,0]=3 65 B13R1.344 O=C(Cc1cccs1)NCC(F)F 240690a_100000765723_100000210189 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.53 C#CCCC(=O)Cc1cccs1 1458a_100000210189_100000753159 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.53 C#CCNC(=O)Cc1ccc[nH]1 11a_100000212058_100000238377 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.53 C#CCNC(=O)Cc1ccc[nH]1 240690a_100000212058_100000238377 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.53 C#CCNC(=O)Cc1ccc[nH]1 527a_100000212058_100000238377 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.53 C#CCNC(=O)Cc1ccco1 11a_100000212058_100011217309 [1,0,0,0,0,0|2,1,0]=4 71 B12R1.53 C#CCNC(=O)Cc1ccco1 527a_100000212058_100011217309 [1,0,0,0,0,0|2,1,0]=4 72 B12R1.53 C#CCNC(=O)Cc1cccs1 11a_100000212058_100000210189 [1,0,0,0,0,0|2,0,0]=3 73 B12R1.53 C#CCNC(=O)Cc1cccs1 1626a_100000212058_100000210189 [1,0,0,0,0,0|2,0,0]=3 74 B12R1.53 C#CCNC(=O)Cc1cccs1 240690a_100000212058_100000210189 [1,0,0,0,0,0|2,0,0]=3 75 B12R1.53 C=CCCC(=O)Cc1cccs1 1458a_100000210189_100000754431 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.53 C=CCNC(=O)Cc1ccc[nH]1 240690a_100020586998_100000238377 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.53 C=CCNC(=O)Cc1ccc[nH]1 527a_100020586998_100000238377 [1,0,0,0,0,0|3,0,0]=4 78 B12R1.53 C=CCNC(=O)Cc1ccco1 527a_100020586998_100011217309 [1,0,0,0,0,0|2,1,0]=4 79 B12R1.53 C=CCNC(=O)Cc1cccs1 1626a_100020586998_100000210189 [1,0,0,0,0,0|2,0,0]=3 80 B12R1.53 C=CCNC(=O)Cc1cccs1 240690a_100020586998_100000210189 [1,0,0,0,0,0|2,0,0]=3 81 B12R1.53 CC(Cc1cccs1)NCCO 2230a_100000751415_100000211926 [1,0,0,0,0,0|2,0,1]=4 82 B12R1.53 CC=NNC(=O)Cc1cccs1 4a_100000189772_200000210099 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.53 CCCCC(=O)Cc1cccs1 1458a_100000210189_100000210211 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 11a_100020643023_100000238377 [1,0,0,0,0,0|3,0,0]=4 85 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 240690a_100020643023_100000238377 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 527a_100020643023_100000238377 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.53 CCCNC(=O)Cc1ccco1 11a_100020643023_100011217309 [1,0,0,0,0,0|2,1,0]=4 88 B12R1.53 CCCNC(=O)Cc1ccco1 527a_100020643023_100011217309 [1,0,0,0,0,0|2,1,0]=4 89 B12R1.53 CCCNC(=O)Cc1cccs1 11a_100020643023_100000210189 [1,0,0,0,0,0|2,0,0]=3 90 B12R1.53 CCCNC(=O)Cc1cccs1 1626a_100020643023_100000210189 [1,0,0,0,0,0|2,0,0]=3 91 B12R1.53 CCCNC(=O)Cc1cccs1 240690a_100020643023_100000210189 [1,0,0,0,0,0|2,0,0]=3 92 B12R1.53 CCNNC(=O)Cc1cccs1 22a_100000756455_100000210189 [1,0,0,0,0,0|3,0,0]=4 93 B12R1.53 COCCC(=O)Cc1cccs1 1458a_100000210189_100000233755 [1,0,0,0,0,0|3,0,0]=4 94 B12R1.53 CSCCC(=O)Cc1cccs1 1458a_100000210189_100000751147 [1,0,0,0,0,0|3,0,0]=4 95 B12R1.53 N#CCCC(=O)Cc1cccs1 1458a_100000210189_100011215226 [1,0,0,0,0,0|3,0,0]=4 96 B12R1.53 N#CCNC(=O)Cc1ccc[nH]1 527a_100000734998_100000238377 [1,0,0,0,0,0|3,0,0]=4 97 B12R1.53 N#CCNC(=O)Cc1ccco1 527a_100000734998_100011217309 [1,0,0,0,0,0|2,1,0]=4 98 B12R1.53 N#CCNC(=O)Cc1cccs1 1626a_100000734998_100000210189 [1,0,0,0,0,0|2,0,0]=3 99 B12R1.53 O=C(CCCF)Cc1cccs1 1458a_100000210189_100011934791 [1,0,0,0,0,0|3,0,0]=4 100 B12R1.53 O=C(CCCO)Cc1ccc[nH]1 1458a_100000238377_100011215043 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.53 O=C(CCCO)Cc1ccco1 1458a_100011217309_100011215043 [1,0,0,0,0,0|2,1,0]=4 102 B12R1.53 O=C(CCCO)Cc1cccs1 1458a_100000210189_100011215043 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.53 O=C(Cc1c[nH]cn1)NCCO 240690a_100000210304_100015291406 [1,0,0,0,0,0|3,0,0]=4 104 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 11a_100000724931_100000238377 [1,0,0,0,0,0|3,0,0]=4 105 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 240690a_100000724931_100000238377 [1,0,0,0,0,0|3,0,0]=4 106 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 527a_100000724931_100000238377 [1,0,0,0,0,0|3,0,0]=4 107 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 240690a_100000210304_100000238377 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 527a_100000210304_100000238377 [1,0,0,0,0,0|2,0,0]=3 109 B12R1.53 O=C(Cc1ccco1)NCCF 11a_100000724931_100011217309 [1,0,0,0,0,0|2,1,0]=4 110 B12R1.53 O=C(Cc1ccco1)NCCF 527a_100000724931_100011217309 [1,0,0,0,0,0|2,1,0]=4 111 B12R1.53 O=C(Cc1ccco1)NCCO 527a_100000210304_100011217309 [1,0,0,0,0,0|1,1,0]=3 112 B12R1.53 O=C(Cc1cccs1)NCCF 11a_100000724931_100000210189 [1,0,0,0,0,0|2,0,0]=3 113 B12R1.53 O=C(Cc1cccs1)NCCF 1626a_100000724931_100000210189 [1,0,0,0,0,0|2,0,0]=3 114 B12R1.53 O=C(Cc1cccs1)NCCF 240690a_100000724931_100000210189 [1,0,0,0,0,0|2,0,0]=3 115 B12R1.53 O=C(Cc1cccs1)NCCO 240690a_100000210304_100000210189 [1,0,0,0,0,0|1,0,0]=2 116 B12R1.53 O=C(Cc1ccn[nH]1)NCCO 240690a_100000210304_100000752941 [1,0,0,0,0,0|3,0,0]=4 117 B12R1.53 O=C(Cc1ccn[nH]1)NCCO 527a_100000210304_100000752941 [1,0,0,0,0,0|3,0,0]=4 118 B12R1.53 O=C(Cc1ccoc1)NCCO 240690a_100000210304_100000684892 [1,0,0,0,0,0|3,0,0]=4 119 B12R1.53 O=C(Cc1ccoc1)NCCO 527a_100000210304_100000684892 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.53 O=C(Cc1ccsc1)NCCO 240690a_100000210304_100000184062 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.53 O=C(Cc1ccsc1)NCCO 527a_100000210304_100000184062 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.53 O=C(Cc1cscn1)NCCO 240690a_100000210304_100011438297 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.53 O=C(Cc1cscn1)NCCO 527a_100000210304_100011438297 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.53 O=C(Cn1cccc1)NCCO 527a_100000210304_100011196272 [1,0,0,0,0,0|3,0,0]=4 125 B12R1.53 O=C(Cn1cccn1)NCCO 240690a_100000210304_100000233772 [1,0,0,0,0,0|3,0,0]=4 126 B12R1.53 O=C(Cn1cccn1)NCCO 527a_100000210304_100000233772 [1,0,0,0,0,0|3,0,0]=4 127 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000203755_100011218427 [1,0,0,0,0,0|2,0,1]=4 128 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000210904_100000748579 [1,0,0,0,0,0|2,0,1]=4 129 B12R1.255 CC(O)CNCCc1cccs1 34a_100000203755_100011218427 [1,0,0,0,0,0|2,0,1]=4 130 B12R1.255 CC(O)CNCCc1cccs1 34a_100000210904_100000748579 [1,0,0,0,0,0|2,0,1]=4 131 B12R1.255 C[C@@H](O)CNCCc1cccs1 2230a_100000203755_100009817552 [1,0,0,0,0,0|2,0,1]=4 132 B12R1.255 C[C@@H](O)CNCCc1cccs1 34a_100000203755_100009817552 [1,0,0,0,0,0|2,0,1]=4 133 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [1,0,0,0,0,0|1,0,2]=4 134 B14R1.129 C=C(C)CNC(=O)Cc1cc(cs1)Br 11a_100000765925_100011542370 [0,1,0,0,0,0|3,0,0]=4 135 B14R1.129 C=C(C)CNC(=O)Cc1cc(cs1)Br 1626a_100000765925_100011542370 [0,1,0,0,0,0|3,0,0]=4 136 B14R1.129 C=C(C)CNC(=O)Cc1cc(cs1)Br 240690a_100000765925_100011542370 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.129 C=C(C)CNC(=O)Cc1ccc(s1)Br 11a_100000765925_100000238643 [0,1,0,0,0,0|3,0,0]=4 138 B14R1.129 C=C(C)CNC(=O)Cc1ccc(s1)Br 1626a_100000765925_100000238643 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.129 C=C(C)CNC(=O)Cc1ccc(s1)Cl 11a_100000765925_100000238644 [0,1,0,0,0,0|3,0,0]=4 140 B14R1.129 C=C(C)CNC(=O)Cc1ccc(s1)Cl 1626a_100000765925_100000238644 [0,1,0,0,0,0|3,0,0]=4 141 B14R1.129 C=C(C)CNC(=O)Cc1ccc(s1)Cl 240690a_100000765925_100000238644 [0,1,0,0,0,0|3,0,0]=4 142 B14R1.129 CC(C)CNC(=O)Cc1cc(cs1)Br 11a_100000210953_100011542370 [0,1,0,0,0,0|3,0,0]=4 143 B14R1.129 CC(C)CNC(=O)Cc1cc(cs1)Br 1626a_100000210953_100011542370 [0,1,0,0,0,0|3,0,0]=4 144 B14R1.129 CC(C)CNC(=O)Cc1cc(cs1)Br 240690a_100000210953_100011542370 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.129 CC(C)CNC(=O)Cc1ccc(s1)Br 11a_100000210953_100000238643 [0,1,0,0,0,0|3,0,0]=4 146 B14R1.129 CC(C)CNC(=O)Cc1ccc(s1)Br 1626a_100000210953_100000238643 [0,1,0,0,0,0|3,0,0]=4 147 B14R1.129 CC(C)CNC(=O)Cc1ccc(s1)Cl 11a_100000210953_100000238644 [0,1,0,0,0,0|3,0,0]=4 148 B14R1.129 CC(C)CNC(=O)Cc1ccc(s1)Cl 1626a_100000210953_100000238644 [0,1,0,0,0,0|3,0,0]=4 149 B14R1.129 CC(C)CNC(=O)Cc1ccc(s1)Cl 240690a_100000210953_100000238644 [0,1,0,0,0,0|3,0,0]=4 150 B14R1.129 CC(O)CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100012276601 [0,1,0,0,0,0|3,0,0]=4 151 B14R1.129 CC(O)CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100012276601 [0,1,0,0,0,0|3,0,0]=4 152 B14R1.129 CC(O)CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100012276601 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.129 CC(O)CNC(=O)Cc1cc(cs1)Br 11a_100000210904_100011542370 [0,1,0,0,0,0|2,0,0]=3 154 B14R1.129 CC(O)CNC(=O)Cc1cc(cs1)Br 240690a_100000210904_100011542370 [0,1,0,0,0,0|2,0,0]=3 155 B14R1.129 CC(O)CNC(=O)Cc1ccc(s1)Br 11a_100000210904_100000238643 [0,1,0,0,0,0|2,0,0]=3 156 B14R1.129 CC(O)CNC(=O)Cc1ccc(s1)Cl 11a_100000210904_100000238644 [0,1,0,0,0,0|2,0,0]=3 157 B14R1.129 CC(O)CNC(=O)Cc1ccc(s1)Cl 240690a_100000210904_100000238644 [0,1,0,0,0,0|2,0,0]=3 158 B14R1.129 Cc1csc(n1)CC(=O)NCC(C)O 240690a_100000210904_100000734950 [0,1,0,0,0,0|3,0,0]=4 159 B14R1.129 NC(=O)CNC(=O)Cc1cc(cs1)Br 11a_100000711301_100011542370 [0,1,0,0,0,0|2,0,1]=4 160 B14R1.129 NC(=O)CNC(=O)Cc1cc(cs1)Br 240690a_100000711301_100011542370 [0,1,0,0,0,0|2,0,1]=4 161 B14R1.129 NC(=O)CNC(=O)Cc1ccc(s1)Br 11a_100000711301_100000238643 [0,1,0,0,0,0|2,0,1]=4 162 B14R1.129 NC(=O)CNC(=O)Cc1ccc(s1)Cl 11a_100000711301_100000238644 [0,1,0,0,0,0|2,0,1]=4 163 B14R1.129 NC(=O)CNC(=O)Cc1ccc(s1)Cl 240690a_100000711301_100000238644 [0,1,0,0,0,0|2,0,1]=4 164 B14R1.129 O=C(Cc1cc(cs1)Br)NCC(F)F 11a_100000765723_100011542370 [0,1,0,0,0,0|3,0,0]=4 165 B14R1.129 O=C(Cc1cc(cs1)Br)NCC(F)F 1626a_100000765723_100011542370 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.129 O=C(Cc1cc(cs1)Br)NCC(F)F 240690a_100000765723_100011542370 [0,1,0,0,0,0|3,0,0]=4 167 B14R1.129 O=C(Cc1ccc(s1)Br)NCC(F)F 11a_100000765723_100000238643 [0,1,0,0,0,0|3,0,0]=4 168 B14R1.129 O=C(Cc1ccc(s1)Br)NCC(F)F 1626a_100000765723_100000238643 [0,1,0,0,0,0|3,0,0]=4 169 B14R1.129 O=C(Cc1ccc(s1)Cl)NCC(F)F 11a_100000765723_100000238644 [0,1,0,0,0,0|3,0,0]=4 170 B14R1.129 O=C(Cc1ccc(s1)Cl)NCC(F)F 1626a_100000765723_100000238644 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.129 O=C(Cc1ccc(s1)Cl)NCC(F)F 240690a_100000765723_100000238644 [0,1,0,0,0,0|3,0,0]=4 172 B14R1.416 C=C(C)CN(C)C(=O)Cc1cccs1 11a_100000225649_100000210189 [0,1,0,0,0,0|3,0,0]=4 173 B14R1.416 C=C(C)CN(C)C(=O)Cc1cccs1 1626a_100000225649_100000210189 [0,1,0,0,0,0|3,0,0]=4 174 B14R1.416 CC(C)CN(C)C(=O)Cc1cccs1 11a_100000747067_100000210189 [0,1,0,0,0,0|3,0,0]=4 175 B14R1.416 CC(C)CN(C)C(=O)Cc1cccs1 1626a_100000747067_100000210189 [0,1,0,0,0,0|3,0,0]=4 176 B14R1.416 CC(C)CN(C)C(=O)Cc1cccs1 240690a_100000747067_100000210189 [0,1,0,0,0,0|3,0,0]=4 177 B14R1.416 CC(O)CN(C)C(=O)Cc1ccc[nH]1 240690a_100000227577_100000238377 [0,1,0,0,0,0|3,0,0]=4 178 B14R1.416 CC(O)CN(C)C(=O)Cc1ccc[nH]1 527a_100000227577_100000238377 [0,1,0,0,0,0|3,0,0]=4 179 B14R1.416 CC(O)CN(C)C(=O)Cc1ccco1 527a_100000227577_100011217309 [0,1,0,0,0,0|2,1,0]=4 180 B14R1.416 CC(O)CN(C)C(=O)Cc1cccs1 240690a_100000227577_100000210189 [0,1,0,0,0,0|2,0,0]=3 181 B14R1.416 CN(CC(=O)N)C(=O)Cc1cccs1 11a_100000739694_100000210189 [0,1,0,0,0,0|2,0,1]=4 182 B14R1.731 CC(=NNC(=O)Cc1cccs1)CO 4a_100000189772_100000211253 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.731 CC(CO)CNC(=O)Cc1ccc[nH]1 240690a_100000744482_100000238377 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.731 CC(CO)CNC(=O)Cc1ccc[nH]1 527a_100000744482_100000238377 [0,1,0,0,0,0|3,0,0]=4 185 B14R1.731 CC(CO)CNC(=O)Cc1ccco1 527a_100000744482_100011217309 [0,1,0,0,0,0|2,1,0]=4 186 B14R1.731 CC(CO)CNC(=O)Cc1cccs1 240690a_100000744482_100000210189 [0,1,0,0,0,0|2,0,0]=3 187 B14R1.731 CC(Cc1cccs1)NCC(O)CO 2230a_100000751415_100011219619 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.731 CC(Cc1cccs1)NC[C@@H](O)CO 2230a_100000751415_100009815848 [0,1,0,0,0,0|2,0,1]=4 189 B14R1.731 CCC(C)CNC(=O)Cc1cccs1 11a_100020588543_100000210189 [0,1,0,0,0,0|3,0,0]=4 190 B14R1.731 CCC(C)CNC(=O)Cc1cccs1 1626a_100020588543_100000210189 [0,1,0,0,0,0|3,0,0]=4 191 B14R1.731 CCC(C)CNC(=O)Cc1cccs1 240690a_100020588543_100000210189 [0,1,0,0,0,0|3,0,0]=4 192 B14R1.731 CCC(O)CNC(=O)Cc1ccc[nH]1 11a_100011218483_100000238377 [0,1,0,0,0,0|3,0,0]=4 193 B14R1.731 CCC(O)CNC(=O)Cc1ccc[nH]1 240690a_100011218483_100000238377 [0,1,0,0,0,0|3,0,0]=4 194 B14R1.731 CCC(O)CNC(=O)Cc1ccc[nH]1 527a_100011218483_100000238377 [0,1,0,0,0,0|3,0,0]=4 195 B14R1.731 CCC(O)CNC(=O)Cc1ccco1 11a_100011218483_100011217309 [0,1,0,0,0,0|2,1,0]=4 196 B14R1.731 CCC(O)CNC(=O)Cc1ccco1 527a_100011218483_100011217309 [0,1,0,0,0,0|2,1,0]=4 197 B14R1.731 CCC(O)CNC(=O)Cc1cccs1 11a_100011218483_100000210189 [0,1,0,0,0,0|2,0,0]=3 198 B14R1.731 CCC(O)CNC(=O)Cc1cccs1 240690a_100011218483_100000210189 [0,1,0,0,0,0|2,0,0]=3 199 B14R1.731 CNC(=O)CNC(=O)Cc1cccs1 11a_100000693194_100000210189 [0,1,0,0,0,0|2,0,1]=4 200 B14R1.731 CNC(=O)CNC(=O)Cc1cccs1 240690a_100000693194_100000210189 [0,1,0,0,0,0|2,0,1]=4 201 B14R1.731 COC(=O)CNC(=O)Cc1ccc[nH]1 188690a_100000185156_100000238377 [0,1,0,0,0,0|2,0,1]=4 202 B14R1.731 COC(=O)CNC(=O)Cc1ccco1 188690a_100000185156_100011217309 [0,1,0,0,0,0|1,1,1]=4 203 B14R1.731 COC(=O)CNC(=O)Cc1cccs1 188690a_100000185156_100000210189 [0,1,0,0,0,0|1,0,1]=3 204 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccc[nH]1 11a_100020591295_100000238377 [0,1,0,0,0,0|3,0,0]=4 205 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccc[nH]1 240690a_100020591295_100000238377 [0,1,0,0,0,0|3,0,0]=4 206 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccc[nH]1 527a_100020591295_100000238377 [0,1,0,0,0,0|3,0,0]=4 207 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccco1 11a_100020591295_100011217309 [0,1,0,0,0,0|2,1,0]=4 208 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccco1 527a_100020591295_100011217309 [0,1,0,0,0,0|2,1,0]=4 209 B14R1.731 CO[C@H](C)CNC(=O)Cc1cccs1 11a_100020591295_100000210189 [0,1,0,0,0,0|2,0,0]=3 210 B14R1.731 CO[C@H](C)CNC(=O)Cc1cccs1 1626a_100020591295_100000210189 [0,1,0,0,0,0|2,0,0]=3 211 B14R1.731 CO[C@H](C)CNC(=O)Cc1cccs1 240690a_100020591295_100000210189 [0,1,0,0,0,0|2,0,0]=3 212 B14R1.731 O=C(CO)NNC(=O)Cc1cccs1 22a_100000189772_100000210174 [0,1,0,0,0,0|2,0,1]=4 213 B14R1.731 O=C(Cc1c[nH]cn1)NC[C@H](O)CO 240690a_100020644852_100015291406 [0,1,0,0,0,0|3,0,0]=4 214 B14R1.731 O=C(Cc1ccc[nH]1)NC[C@@H](F)CO 240690a_100015665980_100000238377 [0,1,0,0,0,0|3,0,0]=4 215 B14R1.731 O=C(Cc1ccc[nH]1)NC[C@@H](F)CO 527a_100015665980_100000238377 [0,1,0,0,0,0|3,0,0]=4 216 B14R1.731 O=C(Cc1ccc[nH]1)NC[C@H](O)CO 240690a_100020644852_100000238377 [0,1,0,0,0,0|2,0,0]=3 217 B14R1.731 O=C(Cc1ccc[nH]1)NC[C@H](O)CO 527a_100020644852_100000238377 [0,1,0,0,0,0|2,0,0]=3 218 B14R1.731 O=C(Cc1ccco1)NC[C@@H](F)CO 527a_100015665980_100011217309 [0,1,0,0,0,0|2,1,0]=4 219 B14R1.731 O=C(Cc1ccco1)NC[C@H](O)CO 527a_100020644852_100011217309 [0,1,0,0,0,0|1,1,0]=3 220 B14R1.731 O=C(Cc1cccs1)NC[C@@H](F)CO 240690a_100015665980_100000210189 [0,1,0,0,0,0|2,0,0]=3 221 B14R1.731 O=C(Cc1cccs1)NC[C@H](O)CO 240690a_100020644852_100000210189 [0,1,0,0,0,0|1,0,0]=2 222 B14R1.731 O=C(Cc1ccn[nH]1)NC[C@H](O)CO 240690a_100020644852_100000752941 [0,1,0,0,0,0|3,0,0]=4 223 B14R1.731 O=C(Cc1ccn[nH]1)NC[C@H](O)CO 527a_100020644852_100000752941 [0,1,0,0,0,0|3,0,0]=4 224 B14R1.731 O=C(Cc1ccoc1)NC[C@H](O)CO 240690a_100020644852_100000684892 [0,1,0,0,0,0|3,0,0]=4 225 B14R1.731 O=C(Cc1ccoc1)NC[C@H](O)CO 527a_100020644852_100000684892 [0,1,0,0,0,0|3,0,0]=4 226 B14R1.731 O=C(Cc1ccsc1)NC[C@H](O)CO 240690a_100020644852_100000184062 [0,1,0,0,0,0|3,0,0]=4 227 B14R1.731 O=C(Cc1ccsc1)NC[C@H](O)CO 527a_100020644852_100000184062 [0,1,0,0,0,0|3,0,0]=4 228 B14R1.731 O=C(Cc1cscn1)NC[C@H](O)CO 240690a_100020644852_100011438297 [0,1,0,0,0,0|3,0,0]=4 229 B14R1.731 O=C(Cc1cscn1)NC[C@H](O)CO 527a_100020644852_100011438297 [0,1,0,0,0,0|3,0,0]=4 230 B14R1.731 O=C(Cn1cccc1)NC[C@H](O)CO 527a_100020644852_100011196272 [0,1,0,0,0,0|3,0,0]=4 231 B14R1.731 O=C(Cn1cccn1)NC[C@H](O)CO 240690a_100020644852_100000233772 [0,1,0,0,0,0|3,0,0]=4 232 B14R1.731 O=C(Cn1cccn1)NC[C@H](O)CO 527a_100020644852_100000233772 [0,1,0,0,0,0|3,0,0]=4 233 B14R1.3221 CC(C)C(C)NC(=O)Cc1cccs1 11a_100000211541_100000210189 [0,1,0,0,0,0|3,0,0]=4 234 B14R1.3221 CC(C)C(C)NC(=O)Cc1cccs1 1626a_100000211541_100000210189 [0,1,0,0,0,0|3,0,0]=4 235 B14R1.3221 CC(C)C(C)NC(=O)Cc1cccs1 240690a_100000211541_100000210189 [0,1,0,0,0,0|3,0,0]=4 236 B14R1.3221 C[C@@H](NC(=O)Cc1cccs1)C(=O)N 11a_100000119354_100000210189 [0,1,0,0,0,0|2,0,1]=4 237 B14R1.3221 C[C@@H](NC(=O)Cc1cccs1)C(=O)N 240690a_100000119354_100000210189 [0,1,0,0,0,0|2,0,1]=4 238 B14R1.6470 CC(C)(C)CNC(=O)Cc1cccs1 11a_100000743828_100000210189 [0,1,0,0,0,0|3,0,0]=4 239 B14R1.6470 CC(C)(C)CNC(=O)Cc1cccs1 1626a_100000743828_100000210189 [0,1,0,0,0,0|3,0,0]=4 240 B14R1.6470 CC(C)(C)CNC(=O)Cc1cccs1 240690a_100000743828_100000210189 [0,1,0,0,0,0|3,0,0]=4 241 B14R1.6470 CC(C)(F)CNC(=O)Cc1cccs1 11a_100020643315_100000210189 [0,1,0,0,0,0|3,0,0]=4 242 B14R1.6470 CC(C)(F)CNC(=O)Cc1cccs1 1626a_100020643315_100000210189 [0,1,0,0,0,0|3,0,0]=4 243 B14R1.6470 CC(C)(F)CNC(=O)Cc1cccs1 240690a_100020643315_100000210189 [0,1,0,0,0,0|3,0,0]=4 244 B14R1.6470 CC(C)(O)CNC(=O)Cc1ccc[nH]1 240690a_100000751335_100000238377 [0,1,0,0,0,0|3,0,0]=4 245 B14R1.6470 CC(C)(O)CNC(=O)Cc1ccc[nH]1 527a_100000751335_100000238377 [0,1,0,0,0,0|3,0,0]=4 246 B14R1.6470 CC(C)(O)CNC(=O)Cc1ccco1 527a_100000751335_100011217309 [0,1,0,0,0,0|2,1,0]=4 247 B14R1.6470 CC(C)(O)CNC(=O)Cc1cccs1 1626a_100000751335_100000210189 [0,1,0,0,0,0|2,0,0]=3 248 B14R1.6470 CC(C)(O)CNC(=O)Cc1cccs1 240690a_100000751335_100000210189 [0,1,0,0,0,0|2,0,0]=3 249 B14R1.6470 CC(F)(F)CNC(=O)Cc1cccs1 11a_100000731000_100000210189 [0,1,0,0,0,0|3,0,0]=4 250 B14R1.6470 CC(F)(F)CNC(=O)Cc1cccs1 1626a_100000731000_100000210189 [0,1,0,0,0,0|3,0,0]=4 251 B14R1.6470 CC(F)(F)CNC(=O)Cc1cccs1 240690a_100000731000_100000210189 [0,1,0,0,0,0|3,0,0]=4 252 B14R1.6470 C[Si](C)(C)CNC(=O)Cc1cccs1 11a_102516607284_100000210189 [0,1,0,0,0,0|3,0,0]=4 253 B14R1.6470 C[Si](C)(C)CNC(=O)Cc1cccs1 1626a_102516607284_100000210189 [0,1,0,0,0,0|3,0,0]=4 254 B14R1.6470 C[Si](C)(C)CNC(=O)Cc1cccs1 240690a_102516607284_100000210189 [0,1,0,0,0,0|3,0,0]=4 255 B14R1.6470 O=C(Cc1cccs1)NCC(F)(F)F 11a_100000717047_100000210189 [0,1,0,0,0,0|3,0,0]=4 256 B14R1.6470 O=C(Cc1cccs1)NCC(F)(F)F 1626a_100000717047_100000210189 [0,1,0,0,0,0|3,0,0]=4 257 B14R1.6470 O=C(Cc1cccs1)NCC(F)(F)F 240690a_100000717047_100000210189 [0,1,0,0,0,0|3,0,0]=4 258 B14R2.357 O=C(Cc1cccs1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000210189 [0,0,0,1,0,0|3,0,0]=4 259 B14R2.357 O=C(Cc1cccs1)N[C@@H]2C[C@H]2F 11a_100025746932_100000210189 [0,0,0,1,0,0|3,0,0]=4 260 B14R2.357 O=C(Cc1cccs1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000210189 [0,0,0,1,0,0|3,0,0]=4 261 B14R2.357 O=C(Cc1cccs1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000210189 [0,0,0,1,0,0|3,0,0]=4 262 B14R2.428 CC1CN(C1)C(=O)Cc2cccs2 11a_100000702820_100000210189 [0,0,0,1,0,0|3,0,0]=4 263 B14R2.428 CC1CN(C1)C(=O)Cc2cccs2 240690a_100000702820_100000210189 [0,0,0,1,0,0|3,0,0]=4 264 B14R2.428 O=C(Cc1ccc[nH]1)N2CC(C2)O 11a_100000749847_100000238377 [0,0,0,1,0,0|3,0,0]=4 265 B14R2.428 O=C(Cc1ccc[nH]1)N2CC(C2)O 240690a_100000749847_100000238377 [0,0,0,1,0,0|3,0,0]=4 266 B14R2.428 O=C(Cc1ccc[nH]1)N2CC(C2)O 527a_100000749847_100000238377 [0,0,0,1,0,0|3,0,0]=4 267 B14R2.428 O=C(Cc1ccco1)N2CC(C2)O 11a_100000749847_100011217309 [0,0,0,1,0,0|2,1,0]=4 268 B14R2.428 O=C(Cc1ccco1)N2CC(C2)O 527a_100000749847_100011217309 [0,0,0,1,0,0|2,1,0]=4 269 B14R2.428 O=C(Cc1cccs1)N2CC(C2)F 11a_100000690557_100000210189 [0,0,0,1,0,0|3,0,0]=4 270 B14R2.428 O=C(Cc1cccs1)N2CC(C2)F 240690a_100000690557_100000210189 [0,0,0,1,0,0|3,0,0]=4 271 B14R2.428 O=C(Cc1cccs1)N2CC(C2)O 11a_100000749847_100000210189 [0,0,0,1,0,0|2,0,0]=3 272 B14R2.428 O=C(Cc1cccs1)N2CC(C2)O 240690a_100000749847_100000210189 [0,0,0,1,0,0|2,0,0]=3 273 B14R2.9599 O=C(CCC1CO1)Cc2cccs2 1458a_100000210189_100000732470 [0,0,0,1,0,0|3,0,0]=4 274 B14R2.9599 O=C(Cc1cccs1)NCC2CC2 11a_100000735609_100000210189 [0,0,0,1,0,0|3,0,0]=4 275 B14R2.9599 O=C(Cc1cccs1)NCC2CC2 1626a_100000735609_100000210189 [0,0,0,1,0,0|3,0,0]=4 276 B14R2.9599 O=C(Cc1cccs1)NCC2CC2 240690a_100000735609_100000210189 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,0,0,0,1,0|2,0,1]=4 278 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,0,0,0,1,0|2,0,1]=4 279 B12R1.260 C=C(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748629 [0,0,0,0,1,0|3,0,0]=4 280 B12R1.260 C=C(F)CC(=O)Cc1cccs1 1458a_100000210189_100009893438 [0,0,0,0,1,0|3,0,0]=4 281 B12R1.260 CC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000210624 [0,0,0,0,1,0|3,0,0]=4 282 B12R1.260 CC(C)NC(=O)Cc1cccs1 11a_100138425928_100000210189 [0,0,0,0,1,0|3,0,0]=4 283 B12R1.260 CC(C)NC(=O)Cc1cccs1 1626a_100138425928_100000210189 [0,0,0,0,1,0|3,0,0]=4 284 B12R1.260 CC(C)NC(=O)Cc1cccs1 240690a_100138425928_100000210189 [0,0,0,0,1,0|3,0,0]=4 285 B12R1.260 CC(O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218427 [0,0,0,0,1,0|3,0,0]=4 286 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,0,0,0,1,0|2,1,0]=4 287 B12R1.260 CC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218427 [0,0,0,0,1,0|2,0,0]=3 288 B12R1.260 C[C@@H](O)CC(=O)Cc1cncs1 1458a_100011933948_100015185245 [0,0,0,0,1,0|3,0,0]=4 289 B12R1.260 C[C@@H](O)CC(=O)Cc1nccs1 1458a_100011933948_100015184050 [0,0,0,0,1,0|3,0,0]=4 290 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,0,0,0,1,0|2,0,1]=4 291 B12R1.260 O=C(Cc1cccs1)CC(F)F 1458a_100000210189_100011934356 [0,0,0,0,1,0|3,0,0]=4 292 B12R1.260 O=C(Cc1cccs1)C[N+](=O)[O-] 1458a_100000210189_100000761209 [0,0,0,0,1,0|1,0,2]=4 293 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,0,0,0,1,0|1,0,2]=4 294 B14R1.423 CC(O)CNC(=O)Cc1ccccn1 11a_100000210904_100000233486 [0,0,0,0,0,1|3,0,0]=4 295 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 11a_100000210904_100000737805 [0,0,0,0,0,1|3,0,0]=4 296 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 240690a_100000210904_100000737805 [0,0,0,0,0,1|3,0,0]=4 297 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 527a_100000210904_100000737805 [0,0,0,0,0,1|3,0,0]=4 298 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 11a_100000210904_100011201483 [0,0,0,0,0,1|3,0,0]=4 299 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 240690a_100000210904_100011201483 [0,0,0,0,0,1|3,0,0]=4 300 B14R1.423 CC(O)CNC(=O)Cc1cnccn1 11a_100000210904_100000726051 [0,0,0,0,0,1|3,0,0]=4 301 B14R1.423 CC(O)CNC(=O)Cc1cnccn1 240690a_100000210904_100000726051 [0,0,0,0,0,1|3,0,0]=4 302 B14R1.423 CC(O)CNC(=O)Cc1cnccn1 527a_100000210904_100000726051 [0,0,0,0,0,1|3,0,0]=4 303 B14R1.810 C=C(C)CNNC(=O)Cc1cccs1 22a_100000729518_100000210189 [0,0,0,0,0,1|3,0,0]=4 304 B14R1.810 CC(=CCNC(=O)Cc1cccs1)C 11a_100000718196_100000210189 [0,0,0,0,0,1|3,0,0]=4 305 B14R1.810 CC(=CCNC(=O)Cc1cccs1)C 1626a_100000718196_100000210189 [0,0,0,0,0,1|3,0,0]=4 306 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 11a_100000210545_100000210189 [0,0,0,0,0,1|3,0,0]=4 307 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 1626a_100000210545_100000210189 [0,0,0,0,0,1|3,0,0]=4 308 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 240690a_100000210545_100000210189 [0,0,0,0,0,1|3,0,0]=4 309 B14R1.810 CC(C)CNNC(=O)Cc1cccs1 22a_100000696102_100000210189 [0,0,0,0,0,1|3,0,0]=4 310 B14R1.810 CC(O)CCCC(=O)Cc1cccs1 1458a_100000210189_200000718107 [0,0,0,0,0,1|3,0,0]=4 311 B14R1.810 CC(O)CCNC(=O)Cc1ccc[nH]1 240690a_200000755665_100000238377 [0,0,0,0,0,1|3,0,0]=4 312 B14R1.810 CC(O)CCNC(=O)Cc1ccc[nH]1 527a_200000755665_100000238377 [0,0,0,0,0,1|3,0,0]=4 313 B14R1.810 CC(O)CCNC(=O)Cc1ccco1 527a_200000755665_100011217309 [0,0,0,0,0,1|2,1,0]=4 314 B14R1.810 CC(O)CCNC(=O)Cc1cccs1 240690a_200000755665_100000210189 [0,0,0,0,0,1|2,0,0]=3 315 B14R1.810 CC(O)CNNC(=O)Cc1ccc[nH]1 22a_200000730056_100000238377 [0,0,0,0,0,1|3,0,0]=4 316 B14R1.810 CC(O)CNNC(=O)Cc1ccco1 22a_200000730056_100011217309 [0,0,0,0,0,1|2,1,0]=4 317 B14R1.810 CC(O)CNNC(=O)Cc1cccs1 22a_200000730056_100000210189 [0,0,0,0,0,1|2,0,0]=3 318 B14R1.810 CN(C)CCNC(=O)Cc1cccs1 240690a_100000210585_100000210189 [0,0,0,0,0,1|3,0,0]=4 319 B14R1.810 NC(=O)CCNC(=O)Cc1cccs1 11a_100000740010_100000210189 [0,0,0,0,0,1|2,0,1]=4 320 B14R1.810 NC(=O)CCNC(=O)Cc1cccs1 240690a_100000740010_100000210189 [0,0,0,0,0,1|2,0,1]=4 321 B14R1.810 O=C(C/C=C/B(O)O)Cc1ccc[nH]1 1458a_100000238377_100016262062 [0,0,0,0,0,1|2,0,1]=4 322 B14R1.810 O=C(C/C=C/B(O)O)Cc1ccco1 1458a_100011217309_100016262062 [0,0,0,0,0,1|1,1,1]=4 323 B14R1.810 O=C(C/C=C/B(O)O)Cc1cccs1 1458a_100000210189_100016262062 [0,0,0,0,0,1|1,0,1]=3 324 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 11a_100000765925_100000185280 [0,0,0,0,0,1|3,0,0]=4 325 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 1626a_100000765925_100000185280 [0,0,0,0,0,1|3,0,0]=4 326 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 240690a_100000765925_100000185280 [0,0,0,0,0,1|3,0,0]=4 327 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 527a_100000765925_100000185280 [0,0,0,0,0,1|3,0,0]=4 328 B14R1.4526 C=C(C)CNC(=O)NCc1cccs1 2708a_100000211653_100000765925 [0,0,0,0,0,1|3,0,0]=4 329 B14R1.4526 C=C(C)CNC(=O)NCc1cccs1 2708a_100000765925_100000211653 [0,0,0,0,0,1|3,0,0]=4 330 B14R1.4526 C=C(C)CNC(=O)NCc1cccs1 273464a_100000211653_100000765925 [0,0,0,0,0,1|3,0,0]=4 331 B14R1.4526 C=C(C)CNC(=O)NCc1cccs1 273464a_100000765925_100000211653 [0,0,0,0,0,1|3,0,0]=4 332 B14R1.4526 C=C(C)CNC(=O)NCc1cccs1 512a_100000211653_100000765925 [0,0,0,0,0,1|3,0,0]=4 333 B14R1.4526 C=C(C)CNC(=O)NCc1cccs1 512a_100000765925_100000211653 [0,0,0,0,0,1|3,0,0]=4 334 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 11a_100000210953_100000185280 [0,0,0,0,0,1|3,0,0]=4 335 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 1626a_100000210953_100000185280 [0,0,0,0,0,1|3,0,0]=4 336 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 240690a_100000210953_100000185280 [0,0,0,0,0,1|3,0,0]=4 337 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 527a_100000210953_100000185280 [0,0,0,0,0,1|3,0,0]=4 338 B14R1.4526 CC(C)CNC(=O)CSc1cccs1 62a_100000183291_100011215356 [0,0,0,0,0,1|3,0,0]=4 339 B14R1.4526 CC(C)CNC(=O)CSc1cccs1 62a_100011215356_100000183291 [0,0,0,0,0,1|3,0,0]=4 340 B14R1.4526 CC(C)CNC(=O)NCc1cccs1 2708a_100000210953_100000211653 [0,0,0,0,0,1|3,0,0]=4 341 B14R1.4526 CC(C)CNC(=O)NCc1cccs1 2708a_100000211653_100000210953 [0,0,0,0,0,1|3,0,0]=4 342 B14R1.4526 CC(C)CNC(=O)NCc1cccs1 273464a_100000210953_100000211653 [0,0,0,0,0,1|3,0,0]=4 343 B14R1.4526 CC(C)CNC(=O)NCc1cccs1 273464a_100000211653_100000210953 [0,0,0,0,0,1|3,0,0]=4 344 B14R1.4526 CC(C)CNC(=O)NCc1cccs1 512a_100000210953_100000211653 [0,0,0,0,0,1|3,0,0]=4 345 B14R1.4526 CC(C)CNC(=O)NCc1cccs1 512a_100000211653_100000210953 [0,0,0,0,0,1|3,0,0]=4 346 B14R1.4526 CC(O)CCC(=O)CCc1cccs1 1458a_100000185280_100012276601 [0,0,0,0,0,1|3,0,0]=4 347 B14R1.4526 CC(O)CCC(=O)NCc1cccs1 1626a_100000211653_100000718519 [0,0,0,0,0,1|3,0,0]=4 348 B14R1.4526 CC(O)CNC(=O)C=Cc1cccs1 11a_100000210904_100000182767 [0,0,0,0,0,1|2,0,1]=4 349 B14R1.4526 CC(O)CNC(=O)C=Cc1cccs1 240690a_100000210904_100000182767 [0,0,0,0,0,1|2,0,1]=4 350 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 11a_100000210904_200011998680 [0,0,0,0,0,1|3,0,0]=4 351 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 240690a_100000210904_200011998680 [0,0,0,0,0,1|3,0,0]=4 352 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 527a_100000210904_200011998680 [0,0,0,0,0,1|3,0,0]=4 353 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 11a_100000210904_100000185103 [0,0,0,0,0,1|2,1,0]=4 354 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 527a_100000210904_100000185103 [0,0,0,0,0,1|2,1,0]=4 355 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 11a_100000210904_100000185280 [0,0,0,0,0,1|2,0,0]=3 356 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 240690a_100000210904_100000185280 [0,0,0,0,0,1|2,0,0]=3 357 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 527a_100000210904_100000185280 [0,0,0,0,0,1|2,0,0]=3 358 B14R1.4526 CC(O)CNC(=O)CCc1cncs1 11a_100000210904_100012184922 [0,0,0,0,0,1|3,0,0]=4 359 B14R1.4526 CC(O)CNC(=O)CCc1cncs1 240690a_100000210904_100012184922 [0,0,0,0,0,1|3,0,0]=4 360 B14R1.4526 CC(O)CNC(=O)CCc1cncs1 527a_100000210904_100012184922 [0,0,0,0,0,1|3,0,0]=4 361 B14R1.4526 CC(O)CNC(=O)CCc1nccs1 11a_100000210904_100000742873 [0,0,0,0,0,1|3,0,0]=4 362 B14R1.4526 CC(O)CNC(=O)CCc1nccs1 240690a_100000210904_100000742873 [0,0,0,0,0,1|3,0,0]=4 363 B14R1.4526 CC(O)CNC(=O)CCc1nccs1 527a_100000210904_100000742873 [0,0,0,0,0,1|3,0,0]=4 364 B14R1.4526 CC(O)CNC(=O)CSc1nccs1 11a_100000210904_100000739254 [0,0,0,0,0,1|3,0,0]=4 365 B14R1.4526 CC(O)CNC(=O)CSc1nccs1 240690a_100000210904_100000739254 [0,0,0,0,0,1|3,0,0]=4 366 B14R1.4526 CC(O)CNC(=O)NCc1ccc[nH]1 273464a_100000210904_100000764082 [0,0,0,0,0,1|3,0,0]=4 367 B14R1.4526 CC(O)CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100000210904 [0,0,0,0,0,1|3,0,0]=4 368 B14R1.4526 CC(O)CNC(=O)NCc1ccc[nH]1 512a_100000210904_100000764082 [0,0,0,0,0,1|3,0,0]=4 369 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 2708a_100000185738_100000210904 [0,0,0,0,0,1|2,1,0]=4 370 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 273464a_100000185738_100000210904 [0,0,0,0,0,1|2,1,0]=4 371 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 512a_100000185738_100000210904 [0,0,0,0,0,1|2,1,0]=4 372 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 512a_100000210904_100000185738 [0,0,0,0,0,1|2,1,0]=4 373 B14R1.4526 CC(O)CNC(=O)NCc1cccs1 2708a_100000211653_100000210904 [0,0,0,0,0,1|2,0,0]=3 374 B14R1.4526 CC(O)CNC(=O)NCc1cccs1 273464a_100000210904_100000211653 [0,0,0,0,0,1|2,0,0]=3 375 B14R1.4526 CC(O)CNC(=O)NCc1cccs1 273464a_100000211653_100000210904 [0,0,0,0,0,1|2,0,0]=3 376 B14R1.4526 CC(O)CNC(=O)NCc1cccs1 512a_100000210904_100000211653 [0,0,0,0,0,1|2,0,0]=3 377 B14R1.4526 CC(O)CNC(=O)NCc1cccs1 512a_100000211653_100000210904 [0,0,0,0,0,1|2,0,0]=3 378 B14R1.4526 CC(O)CNC(=O)NCc1cncs1 2708a_100016987365_100000210904 [0,0,0,0,0,1|3,0,0]=4 379 B14R1.4526 CC(O)CNC(=O)NCc1cncs1 273464a_100000210904_100016987365 [0,0,0,0,0,1|3,0,0]=4 380 B14R1.4526 CC(O)CNC(=O)NCc1cncs1 273464a_100016987365_100000210904 [0,0,0,0,0,1|3,0,0]=4 381 B14R1.4526 CC(O)CNC(=O)NCc1cncs1 512a_100000210904_100016987365 [0,0,0,0,0,1|3,0,0]=4 382 B14R1.4526 CC(O)CNC(=O)NCc1cncs1 512a_100016987365_100000210904 [0,0,0,0,0,1|3,0,0]=4 383 B14R1.4526 CC(O)CNC(=O)NCc1nccs1 2708a_100000740555_100000210904 [0,0,0,0,0,1|3,0,0]=4 384 B14R1.4526 CC(O)CNC(=O)NCc1nccs1 273464a_100000210904_100000740555 [0,0,0,0,0,1|3,0,0]=4 385 B14R1.4526 CC(O)CNC(=O)NCc1nccs1 273464a_100000740555_100000210904 [0,0,0,0,0,1|3,0,0]=4 386 B14R1.4526 CC(O)CNC(=O)NCc1nccs1 512a_100000210904_100000740555 [0,0,0,0,0,1|3,0,0]=4 387 B14R1.4526 CC(O)CNC(=O)NCc1nccs1 512a_100000740555_100000210904 [0,0,0,0,0,1|3,0,0]=4 388 B14R1.4526 NC(=O)CNC(=O)CCc1cccs1 11a_100000711301_100000185280 [0,0,0,0,0,1|2,0,1]=4 389 B14R1.4526 NC(=O)CNC(=O)CCc1cccs1 240690a_100000711301_100000185280 [0,0,0,0,0,1|2,0,1]=4 390 B14R1.4526 NC(=O)CNC(=O)CCc1cccs1 527a_100000711301_100000185280 [0,0,0,0,0,1|2,0,1]=4 391 B14R1.4526 NC(=O)CNC(=O)NCc1cccs1 2708a_100000211653_100000711301 [0,0,0,0,0,1|2,0,1]=4 392 B14R1.4526 NC(=O)CNC(=O)NCc1cccs1 273464a_100000211653_100000711301 [0,0,0,0,0,1|2,0,1]=4 393 B14R1.4526 NC(=O)CNC(=O)NCc1cccs1 273464a_100000711301_100000211653 [0,0,0,0,0,1|2,0,1]=4 394 B14R1.4526 NC(=O)CNC(=O)NCc1cccs1 512a_100000211653_100000711301 [0,0,0,0,0,1|2,0,1]=4 395 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 11a_100000765723_100000185280 [0,0,0,0,0,1|3,0,0]=4 396 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 1626a_100000765723_100000185280 [0,0,0,0,0,1|3,0,0]=4 397 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 240690a_100000765723_100000185280 [0,0,0,0,0,1|3,0,0]=4 398 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 527a_100000765723_100000185280 [0,0,0,0,0,1|3,0,0]=4 399 B14R1.4526 O=C(NCc1cccs1)NCC(F)F 2708a_100000211653_100000765723 [0,0,0,0,0,1|3,0,0]=4 400 B14R1.4526 O=C(NCc1cccs1)NCC(F)F 273464a_100000211653_100000765723 [0,0,0,0,0,1|3,0,0]=4 401 B14R1.4526 O=C(NCc1cccs1)NCC(F)F 273464a_100000765723_100000211653 [0,0,0,0,0,1|3,0,0]=4 402 B14R1.4526 O=C(NCc1cccs1)NCC(F)F 512a_100000211653_100000765723 [0,0,0,0,0,1|3,0,0]=4 403 B14R1.4526 O=C(NCc1cccs1)NCC(F)F 512a_100000765723_100000211653 [0,0,0,0,0,1|3,0,0]=4 404 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [2,0,0,0,0,0|1,0,1]=4 405 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [2,0,0,0,0,0|1,0,1]=4 406 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [2,0,0,0,0,0|1,0,1]=4 407 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [2,0,0,0,0,0|1,0,1]=4 408 B11R1.30 C#CCC(=O)Cc1cccs1 1458a_100000210189_100000184674 [2,0,0,0,0,0|2,0,0]=4 409 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [2,0,0,0,0,0|2,0,0]=4 410 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [2,0,0,0,0,0|2,0,0]=4 411 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [2,0,0,0,0,0|2,0,0]=4 412 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [2,0,0,0,0,0|2,0,0]=4 413 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [2,0,0,0,0,0|2,0,0]=4 414 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [2,0,0,0,0,0|1,1,0]=4 415 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [2,0,0,0,0,0|1,1,0]=4 416 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [2,0,0,0,0,0|1,0,0]=3 417 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [2,0,0,0,0,0|1,0,0]=3 418 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [2,0,0,0,0,0|2,0,0]=4 419 B11R1.30 N#CCC(=O)Cc1cccs1 1458a_100000210189_100011214920 [2,0,0,0,0,0|2,0,0]=4 420 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [2,0,0,0,0,0|2,0,0]=4 421 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [2,0,0,0,0,0|2,0,0]=4 422 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [2,0,0,0,0,0|1,1,0]=4 423 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [2,0,0,0,0,0|1,0,0]=3 424 B11R1.30 O=C(CCO)Cc1cncs1 1458a_100011216618_100015185245 [2,0,0,0,0,0|2,0,0]=4 425 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [2,0,0,0,0,0|2,0,0]=4 426 B13R1.43 C#CCNC(=O)Cc1cc(cs1)Br 11a_100000212058_100011542370 [1,1,0,0,0,0|2,0,0]=4 427 B13R1.43 C#CCNC(=O)Cc1cc(cs1)Br 1626a_100000212058_100011542370 [1,1,0,0,0,0|2,0,0]=4 428 B13R1.43 C#CCNC(=O)Cc1cc(cs1)Br 240690a_100000212058_100011542370 [1,1,0,0,0,0|2,0,0]=4 429 B13R1.43 C#CCNC(=O)Cc1ccc(s1)Br 11a_100000212058_100000238643 [1,1,0,0,0,0|2,0,0]=4 430 B13R1.43 C#CCNC(=O)Cc1ccc(s1)Br 1626a_100000212058_100000238643 [1,1,0,0,0,0|2,0,0]=4 431 B13R1.43 C#CCNC(=O)Cc1ccc(s1)Cl 11a_100000212058_100000238644 [1,1,0,0,0,0|2,0,0]=4 432 B13R1.43 C#CCNC(=O)Cc1ccc(s1)Cl 1626a_100000212058_100000238644 [1,1,0,0,0,0|2,0,0]=4 433 B13R1.43 C#CCNC(=O)Cc1ccc(s1)Cl 240690a_100000212058_100000238644 [1,1,0,0,0,0|2,0,0]=4 434 B13R1.43 C=CCNC(=O)Cc1cc(cs1)Br 1626a_100020586998_100011542370 [1,1,0,0,0,0|2,0,0]=4 435 B13R1.43 C=CCNC(=O)Cc1cc(cs1)Br 240690a_100020586998_100011542370 [1,1,0,0,0,0|2,0,0]=4 436 B13R1.43 C=CCNC(=O)Cc1ccc(s1)Br 1626a_100020586998_100000238643 [1,1,0,0,0,0|2,0,0]=4 437 B13R1.43 C=CCNC(=O)Cc1ccc(s1)Cl 1626a_100020586998_100000238644 [1,1,0,0,0,0|2,0,0]=4 438 B13R1.43 C=CCNC(=O)Cc1ccc(s1)Cl 240690a_100020586998_100000238644 [1,1,0,0,0,0|2,0,0]=4 439 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br 11a_100020643023_100011542370 [1,1,0,0,0,0|2,0,0]=4 440 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br 1626a_100020643023_100011542370 [1,1,0,0,0,0|2,0,0]=4 441 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br 240690a_100020643023_100011542370 [1,1,0,0,0,0|2,0,0]=4 442 B13R1.43 CCCNC(=O)Cc1ccc(s1)Br 11a_100020643023_100000238643 [1,1,0,0,0,0|2,0,0]=4 443 B13R1.43 CCCNC(=O)Cc1ccc(s1)Br 1626a_100020643023_100000238643 [1,1,0,0,0,0|2,0,0]=4 444 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl 11a_100020643023_100000238644 [1,1,0,0,0,0|2,0,0]=4 445 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl 1626a_100020643023_100000238644 [1,1,0,0,0,0|2,0,0]=4 446 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl 240690a_100020643023_100000238644 [1,1,0,0,0,0|2,0,0]=4 447 B13R1.43 Cc1csc(n1)CC(=O)NCCO 240690a_100000210304_100000734950 [1,1,0,0,0,0|2,0,0]=4 448 B13R1.43 N#CCNC(=O)Cc1cc(cs1)Br 1626a_100000734998_100011542370 [1,1,0,0,0,0|2,0,0]=4 449 B13R1.43 N#CCNC(=O)Cc1ccc(s1)Br 1626a_100000734998_100000238643 [1,1,0,0,0,0|2,0,0]=4 450 B13R1.43 N#CCNC(=O)Cc1ccc(s1)Cl 1626a_100000734998_100000238644 [1,1,0,0,0,0|2,0,0]=4 451 B13R1.43 O=C(CCCO)Cc1cc(cs1)Br 1458a_100011542370_100011215043 [1,1,0,0,0,0|2,0,0]=4 452 B13R1.43 O=C(CCCO)Cc1ccc(s1)Br 1458a_100000238643_100011215043 [1,1,0,0,0,0|2,0,0]=4 453 B13R1.43 O=C(CCCO)Cc1ccc(s1)Cl 1458a_100000238644_100011215043 [1,1,0,0,0,0|2,0,0]=4 454 B13R1.43 O=C(Cc1cc(cs1)Br)NCCF 11a_100000724931_100011542370 [1,1,0,0,0,0|2,0,0]=4 455 B13R1.43 O=C(Cc1cc(cs1)Br)NCCF 1626a_100000724931_100011542370 [1,1,0,0,0,0|2,0,0]=4 456 B13R1.43 O=C(Cc1cc(cs1)Br)NCCF 240690a_100000724931_100011542370 [1,1,0,0,0,0|2,0,0]=4 457 B13R1.43 O=C(Cc1cc(cs1)Br)NCCO 240690a_100000210304_100011542370 [1,1,0,0,0,0|1,0,0]=3 458 B13R1.43 O=C(Cc1ccc(s1)Br)NCCF 11a_100000724931_100000238643 [1,1,0,0,0,0|2,0,0]=4 459 B13R1.43 O=C(Cc1ccc(s1)Br)NCCF 1626a_100000724931_100000238643 [1,1,0,0,0,0|2,0,0]=4 460 B13R1.43 O=C(Cc1ccc(s1)Cl)NCCF 11a_100000724931_100000238644 [1,1,0,0,0,0|2,0,0]=4 461 B13R1.43 O=C(Cc1ccc(s1)Cl)NCCF 1626a_100000724931_100000238644 [1,1,0,0,0,0|2,0,0]=4 462 B13R1.43 O=C(Cc1ccc(s1)Cl)NCCF 240690a_100000724931_100000238644 [1,1,0,0,0,0|2,0,0]=4 463 B13R1.43 O=C(Cc1ccc(s1)Cl)NCCO 240690a_100000210304_100000238644 [1,1,0,0,0,0|1,0,0]=3 464 B13R1.66 C#CCN(C)C(=O)Cc1cccs1 11a_100000225692_100000210189 [1,1,0,0,0,0|2,0,0]=4 465 B13R1.66 C#CCN(C)C(=O)Cc1cccs1 1626a_100000225692_100000210189 [1,1,0,0,0,0|2,0,0]=4 466 B13R1.66 C=CCN(C)C(=O)Cc1cccs1 11a_100000225617_100000210189 [1,1,0,0,0,0|2,0,0]=4 467 B13R1.66 C=CCN(C)C(=O)Cc1cccs1 1626a_100000225617_100000210189 [1,1,0,0,0,0|2,0,0]=4 468 B13R1.66 C=CCN(C)C(=O)Cc1cccs1 240690a_100000225617_100000210189 [1,1,0,0,0,0|2,0,0]=4 469 B13R1.66 CC(CCO)C(=O)Cc1cccs1 1458a_100000210189_100009893172 [1,1,0,0,0,0|2,0,0]=4 470 B13R1.66 CCCN(C)C(=O)Cc1cccs1 11a_100000747261_100000210189 [1,1,0,0,0,0|2,0,0]=4 471 B13R1.66 CCCN(C)C(=O)Cc1cccs1 1626a_100000747261_100000210189 [1,1,0,0,0,0|2,0,0]=4 472 B13R1.66 CCCN(C)C(=O)Cc1cccs1 240690a_100000747261_100000210189 [1,1,0,0,0,0|2,0,0]=4 473 B13R1.66 CN(CC#N)C(=O)Cc1cccs1 11a_100000748184_100000210189 [1,1,0,0,0,0|2,0,0]=4 474 B13R1.66 CN(CC#N)C(=O)Cc1cccs1 1626a_100000748184_100000210189 [1,1,0,0,0,0|2,0,0]=4 475 B13R1.66 CN(CCO)C(=O)Cc1ccc[nH]1 240690a_100000210263_100000238377 [1,1,0,0,0,0|2,0,0]=4 476 B13R1.66 CN(CCO)C(=O)Cc1ccc[nH]1 527a_100000210263_100000238377 [1,1,0,0,0,0|2,0,0]=4 477 B13R1.66 CN(CCO)C(=O)Cc1ccco1 527a_100000210263_100011217309 [1,1,0,0,0,0|1,1,0]=4 478 B13R1.66 CN(CCO)C(=O)Cc1cccs1 240690a_100000210263_100000210189 [1,1,0,0,0,0|1,0,0]=3 479 B13R1.156 C#CCCNC(=O)Cc1cccs1 11a_100000755551_100000210189 [1,1,0,0,0,0|2,0,0]=4 480 B13R1.156 C#CCCNC(=O)Cc1cccs1 1626a_100000755551_100000210189 [1,1,0,0,0,0|2,0,0]=4 481 B13R1.156 C#CCCNC(=O)Cc1cccs1 240690a_100000755551_100000210189 [1,1,0,0,0,0|2,0,0]=4 482 B13R1.156 C=CCCNC(=O)Cc1cccs1 11a_100015191253_100000210189 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.156 C=CCCNC(=O)Cc1cccs1 1626a_100015191253_100000210189 [1,1,0,0,0,0|2,0,0]=4 484 B13R1.156 C=CCCNC(=O)Cc1cccs1 240690a_100015191253_100000210189 [1,1,0,0,0,0|2,0,0]=4 485 B13R1.156 C=CCNNC(=O)Cc1cccs1 22a_100020588587_100000210189 [1,1,0,0,0,0|2,0,0]=4 486 B13R1.156 CC#CCNC(=O)Cc1cccs1 11a_100000685387_100000210189 [1,1,0,0,0,0|2,0,0]=4 487 B13R1.156 CC#CCNC(=O)Cc1cccs1 1626a_100000685387_100000210189 [1,1,0,0,0,0|2,0,0]=4 488 B13R1.156 CCCCNC(=O)Cc1cccs1 11a_100000102301_100000210189 [1,1,0,0,0,0|2,0,0]=4 489 B13R1.156 CCCCNC(=O)Cc1cccs1 1626a_100000102301_100000210189 [1,1,0,0,0,0|2,0,0]=4 490 B13R1.156 CCCCNC(=O)Cc1cccs1 240690a_100000102301_100000210189 [1,1,0,0,0,0|2,0,0]=4 491 B13R1.156 CCCNNC(=O)Cc1cccs1 22a_100000740057_100000210189 [1,1,0,0,0,0|2,0,0]=4 492 B13R1.156 COCCCC(=O)Cc1cccs1 1458a_100000210189_100000740836 [1,1,0,0,0,0|2,0,0]=4 493 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 240690a_100000209980_100000238377 [1,1,0,0,0,0|2,0,0]=4 494 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 527a_100000209980_100000238377 [1,1,0,0,0,0|2,0,0]=4 495 B13R1.156 COCCNC(=O)Cc1ccco1 527a_100000209980_100011217309 [1,1,0,0,0,0|1,1,0]=4 496 B13R1.156 COCCNC(=O)Cc1cccs1 1626a_100000209980_100000210189 [1,1,0,0,0,0|1,0,0]=3 497 B13R1.156 COCCNC(=O)Cc1cccs1 240690a_100000209980_100000210189 [1,1,0,0,0,0|1,0,0]=3 498 B13R1.156 CSCCNC(=O)Cc1cccs1 11a_100020590264_100000210189 [1,1,0,0,0,0|1,1,0]=4 499 B13R1.156 CSCCNC(=O)Cc1cccs1 1626a_100020590264_100000210189 [1,1,0,0,0,0|1,1,0]=4 500 B13R1.156 CSCCNC(=O)Cc1cccs1 240690a_100020590264_100000210189 [1,1,0,0,0,0|1,1,0]=4 501 B13R1.156 N#CCCNC(=O)Cc1cccs1 11a_100000720768_100000210189 [1,1,0,0,0,0|2,0,0]=4 502 B13R1.156 N#CCCNC(=O)Cc1cccs1 1626a_100000720768_100000210189 [1,1,0,0,0,0|2,0,0]=4 503 B13R1.156 N#CCCNC(=O)Cc1cccs1 240690a_100000720768_100000210189 [1,1,0,0,0,0|2,0,0]=4 504 B13R1.156 O=C(CCCCO)Cc1cccs1 1458a_100000210189_100000210776 [1,1,0,0,0,0|2,0,0]=4 505 B13R1.156 O=C(Cc1ccc[nH]1)NCCCO 240690a_100000182051_100000238377 [1,1,0,0,0,0|2,0,0]=4 506 B13R1.156 O=C(Cc1ccc[nH]1)NCCCO 527a_100000182051_100000238377 [1,1,0,0,0,0|2,0,0]=4 507 B13R1.156 O=C(Cc1ccc[nH]1)NNCCO 22a_100000210001_100000238377 [1,1,0,0,0,0|2,0,0]=4 508 B13R1.156 O=C(Cc1ccco1)NCCCO 527a_100000182051_100011217309 [1,1,0,0,0,0|1,1,0]=4 509 B13R1.156 O=C(Cc1ccco1)NNCCO 22a_100000210001_100011217309 [1,1,0,0,0,0|1,1,0]=4 510 B13R1.156 O=C(Cc1cccs1)NCCCF 11a_100015189416_100000210189 [1,1,0,0,0,0|2,0,0]=4 511 B13R1.156 O=C(Cc1cccs1)NCCCF 1626a_100015189416_100000210189 [1,1,0,0,0,0|2,0,0]=4 512 B13R1.156 O=C(Cc1cccs1)NCCCF 240690a_100015189416_100000210189 [1,1,0,0,0,0|2,0,0]=4 513 B13R1.156 O=C(Cc1cccs1)NCCCO 240690a_100000182051_100000210189 [1,1,0,0,0,0|1,0,0]=3 514 B13R1.156 O=C(Cc1cccs1)NNCCO 22a_100000210001_100000210189 [1,1,0,0,0,0|1,0,0]=3 515 B13R1.545 C#CC(C)NC(=O)Cc1cccs1 11a_100000707721_100000210189 [1,1,0,0,0,0|2,0,0]=4 516 B13R1.545 C#CC(C)NC(=O)Cc1cccs1 1626a_100000707721_100000210189 [1,1,0,0,0,0|2,0,0]=4 517 B13R1.545 C#CC(C)NC(=O)Cc1cccs1 240690a_100000707721_100000210189 [1,1,0,0,0,0|2,0,0]=4 518 B13R1.545 CC(C#N)NC(=O)Cc1cccs1 11a_100000737613_100000210189 [1,1,0,0,0,0|2,0,0]=4 519 B13R1.545 CC(C#N)NC(=O)Cc1cccs1 1626a_100000737613_100000210189 [1,1,0,0,0,0|2,0,0]=4 520 B13R1.545 CCC(C)NC(=O)Cc1cccs1 11a_100000209981_100000210189 [1,1,0,0,0,0|2,0,0]=4 521 B13R1.545 CCC(C)NC(=O)Cc1cccs1 1626a_100000209981_100000210189 [1,1,0,0,0,0|2,0,0]=4 522 B13R1.545 CCC(C)NC(=O)Cc1cccs1 240690a_100000209981_100000210189 [1,1,0,0,0,0|2,0,0]=4 523 B13R1.545 C[C@@H](CO)CC(=O)Cc1cccs1 1458a_100000210189_100000059175 [1,1,0,0,0,0|2,0,0]=4 524 B13R1.545 C[C@H](CF)NC(=O)Cc1cccs1 11a_100102880703_100000210189 [1,1,0,0,0,0|2,0,0]=4 525 B13R1.545 C[C@H](CF)NC(=O)Cc1cccs1 1626a_100102880703_100000210189 [1,1,0,0,0,0|2,0,0]=4 526 B13R1.545 C[C@H](CF)NC(=O)Cc1cccs1 240690a_100102880703_100000210189 [1,1,0,0,0,0|2,0,0]=4 527 B13R1.545 C[C@H](CO)NC(=O)Cc1ccc[nH]1 240690a_100000737577_100000238377 [1,1,0,0,0,0|2,0,0]=4 528 B13R1.545 C[C@H](CO)NC(=O)Cc1ccc[nH]1 527a_100000737577_100000238377 [1,1,0,0,0,0|2,0,0]=4 529 B13R1.545 C[C@H](CO)NC(=O)Cc1ccco1 527a_100000737577_100011217309 [1,1,0,0,0,0|1,1,0]=4 530 B13R1.545 C[C@H](CO)NC(=O)Cc1cccs1 240690a_100000737577_100000210189 [1,1,0,0,0,0|1,0,0]=3 531 B13R1.536 OCC(O)CNCCc1cccs1 2230a_100000203755_100011219619 [1,1,0,0,0,0|1,0,1]=4 532 B13R1.536 OCC(O)CNCCc1cccs1 34a_100000203755_100011219619 [1,1,0,0,0,0|1,0,1]=4 533 B13R1.536 OC[C@@H](O)CNCCc1cccs1 2230a_100020644852_100000748579 [1,1,0,0,0,0|1,0,1]=4 534 B13R1.536 OC[C@H](O)CNCCc1cccs1 2230a_100000203755_100009815848 [1,1,0,0,0,0|1,0,1]=4 535 B13R1.536 OC[C@H](O)CNCCc1cccs1 34a_100000203755_100009815848 [1,1,0,0,0,0|1,0,1]=4 536 B13R1.3424 CC(O)CC(=O)Cc1cc(cs1)Br 1458a_100011542370_100011218427 [0,1,0,0,1,0|2,0,0]=4 537 B13R1.3424 CC(O)CC(=O)Cc1ccc(s1)Br 1458a_100000238643_100011218427 [0,1,0,0,1,0|2,0,0]=4 538 B13R1.3424 CC(O)CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100011218427 [0,1,0,0,1,0|2,0,0]=4 539 B13R1.3424 C[C@@H](O)CC(=O)Cc1cc(cs1)Br 1458a_100011933948_100000746031 [0,1,0,0,1,0|2,0,0]=4 540 B13R1.3424 C[C@@H](O)CC(=O)Cc1ccc(s1)Br 1458a_100011933948_100000708592 [0,1,0,0,1,0|2,0,0]=4 541 B13R1.3424 C[C@@H](O)CC(=O)Cc1ccc(s1)Cl 1458a_100011933948_100000185097 [0,1,0,0,1,0|2,0,0]=4 542 B15R1.964 O=C(Cc1cccnc1)NC[C@H](O)CO 240690a_100020644852_100000737805 [0,1,0,0,0,1|2,0,0]=4 543 B15R1.964 O=C(Cc1cccnc1)NC[C@H](O)CO 527a_100020644852_100000737805 [0,1,0,0,0,1|2,0,0]=4 544 B15R1.964 O=C(Cc1ccncc1)NC[C@H](O)CO 240690a_100020644852_100011201483 [0,1,0,0,0,1|2,0,0]=4 545 B15R1.964 O=C(Cc1cnccn1)NC[C@H](O)CO 240690a_100020644852_100000726051 [0,1,0,0,0,1|2,0,0]=4 546 B15R1.964 O=C(Cc1cnccn1)NC[C@H](O)CO 527a_100020644852_100000726051 [0,1,0,0,0,1|2,0,0]=4 547 B15R1.1107 CC(CO)CCNC(=O)Cc1cccs1 240690a_106354213184_100000210189 [0,1,0,0,0,1|2,0,0]=4 548 B15R1.1107 CCC(O)CNNC(=O)Cc1cccs1 22a_100015206393_100000210189 [0,1,0,0,0,1|2,0,0]=4 549 B15R1.1107 COC(=O)CCNC(=O)Cc1cccs1 188690a_100000683876_100000210189 [0,1,0,0,0,1|1,0,1]=4 550 B15R1.1107 O=C(Cc1cccs1)NN=CC(O)CO 4a_100000189772_100000033539 [0,1,0,0,0,1|1,0,1]=4 551 B15R1.3671 O=C(Cc1cccs1)NNC(=O)C(O)O 22a_100000189772_100000233687 [0,1,0,0,0,1|1,0,1]=4 552 B15R1.5468 CC(O)CCNC(=O)Cc1cc(cs1)Br 240690a_200000755665_100011542370 [0,1,0,0,0,1|2,0,0]=4 553 B15R1.5468 CC(O)CCNC(=O)Cc1ccc(s1)Cl 240690a_200000755665_100000238644 [0,1,0,0,0,1|2,0,0]=4 554 B15R1.5468 CC(O)CNNC(=O)Cc1cc(cs1)Br 22a_200000730056_100011542370 [0,1,0,0,0,1|2,0,0]=4 555 B15R1.5468 CC(O)CNNC(=O)Cc1ccc(s1)Br 22a_200000730056_100000238643 [0,1,0,0,0,1|2,0,0]=4 556 B15R1.5468 CC(O)CNNC(=O)Cc1ccc(s1)Cl 22a_200000730056_100000238644 [0,1,0,0,0,1|2,0,0]=4 557 B15R1.5468 O=C(C/C=C/B(O)O)Cc1cc(cs1)Br 1458a_100011542370_100016262062 [0,1,0,0,0,1|1,0,1]=4 558 B15R1.5468 O=C(C/C=C/B(O)O)Cc1ccc(s1)Br 1458a_100000238643_100016262062 [0,1,0,0,0,1|1,0,1]=4 559 B15R1.5468 O=C(C/C=C/B(O)O)Cc1ccc(s1)Cl 1458a_100000238644_100016262062 [0,1,0,0,0,1|1,0,1]=4 560 B15R1.31847 CC(C)(O)CCNC(=O)Cc1cccs1 1626a_100000707701_100000210189 [0,1,0,0,0,1|2,0,0]=4 561 B15R1.355 CC(O)CNC(=O)NCc1sccc1Cl 2708a_100011934584_100000210904 [0,1,0,0,0,1|2,0,0]=4 562 B15R1.355 CC(O)CNC(=O)NCc1sccc1Cl 273464a_100000210904_100011934584 [0,1,0,0,0,1|2,0,0]=4 563 B15R1.355 CC(O)CNC(=O)NCc1sccc1Cl 273464a_100011934584_100000210904 [0,1,0,0,0,1|2,0,0]=4 564 B15R1.355 CC(O)CNC(=O)NCc1sccc1Cl 512a_100000210904_100011934584 [0,1,0,0,0,1|2,0,0]=4 565 B15R1.355 CC(O)CNC(=O)NCc1sccc1Cl 512a_100011934584_100000210904 [0,1,0,0,0,1|2,0,0]=4 566 B15R1.355 Cc1ccsc1CNC(=O)NCC(C)O 2708a_100000238519_100000210904 [0,1,0,0,0,1|2,0,0]=4 567 B15R1.355 Cc1ccsc1CNC(=O)NCC(C)O 273464a_100000210904_100000238519 [0,1,0,0,0,1|2,0,0]=4 568 B15R1.355 Cc1ccsc1CNC(=O)NCC(C)O 273464a_100000238519_100000210904 [0,1,0,0,0,1|2,0,0]=4 569 B15R1.355 Cc1ccsc1CNC(=O)NCC(C)O 512a_100000210904_100000238519 [0,1,0,0,0,1|2,0,0]=4 570 B15R1.355 Cc1ccsc1CNC(=O)NCC(C)O 512a_100000238519_100000210904 [0,1,0,0,0,1|2,0,0]=4 571 B15R1.1115 CC(CO)CNC(=O)CCc1cccs1 240690a_100000744482_100000185280 [0,1,0,0,0,1|2,0,0]=4 572 B15R1.1115 CC(CO)CNC(=O)CCc1cccs1 527a_100000744482_100000185280 [0,1,0,0,0,1|2,0,0]=4 573 B15R1.1115 CC(CO)CNC(=O)NCc1cccs1 2708a_100000211653_100000744482 [0,1,0,0,0,1|2,0,0]=4 574 B15R1.1115 CC(CO)CNC(=O)NCc1cccs1 273464a_100000211653_100000744482 [0,1,0,0,0,1|2,0,0]=4 575 B15R1.1115 CC(CO)CNC(=O)NCc1cccs1 273464a_100000744482_100000211653 [0,1,0,0,0,1|2,0,0]=4 576 B15R1.1115 CC(CO)CNC(=O)NCc1cccs1 512a_100000211653_100000744482 [0,1,0,0,0,1|2,0,0]=4 577 B15R1.1115 CC(CO)CNC(=O)NCc1cccs1 512a_100000744482_100000211653 [0,1,0,0,0,1|2,0,0]=4 578 B15R1.1115 CCC(O)CNC(=O)CCc1cccs1 11a_100011218483_100000185280 [0,1,0,0,0,1|2,0,0]=4 579 B15R1.1115 CCC(O)CNC(=O)CCc1cccs1 240690a_100011218483_100000185280 [0,1,0,0,0,1|2,0,0]=4 580 B15R1.1115 CCC(O)CNC(=O)CCc1cccs1 527a_100011218483_100000185280 [0,1,0,0,0,1|2,0,0]=4 581 B15R1.1115 CCC(O)CNC(=O)NCc1cccs1 2708a_100000211653_100011218483 [0,1,0,0,0,1|2,0,0]=4 582 B15R1.1115 CCC(O)CNC(=O)NCc1cccs1 273464a_100000211653_100011218483 [0,1,0,0,0,1|2,0,0]=4 583 B15R1.1115 CCC(O)CNC(=O)NCc1cccs1 273464a_100011218483_100000211653 [0,1,0,0,0,1|2,0,0]=4 584 B15R1.1115 CCC(O)CNC(=O)NCc1cccs1 512a_100011218483_100000211653 [0,1,0,0,0,1|2,0,0]=4 585 B15R1.1115 COC(=O)CNC(=O)CCc1cccs1 188690a_100000185156_100000185280 [0,1,0,0,0,1|1,0,1]=4 586 B15R1.1115 COC(=O)CNC(=O)CSc1cccs1 62a_100000182966_100011215356 [0,1,0,0,0,1|1,0,1]=4 587 B15R1.1115 COC(=O)CNC(=O)CSc1cccs1 62a_100011215356_100000182966 [0,1,0,0,0,1|1,0,1]=4 588 B15R1.1115 CO[C@H](C)CNC(=O)CCc1cccs1 11a_100020591295_100000185280 [0,1,0,0,0,1|2,0,0]=4 589 B15R1.1115 CO[C@H](C)CNC(=O)CCc1cccs1 1626a_100020591295_100000185280 [0,1,0,0,0,1|2,0,0]=4 590 B15R1.1115 CO[C@H](C)CNC(=O)CCc1cccs1 240690a_100020591295_100000185280 [0,1,0,0,0,1|2,0,0]=4 591 B15R1.1115 CO[C@H](C)CNC(=O)CCc1cccs1 527a_100020591295_100000185280 [0,1,0,0,0,1|2,0,0]=4 592 B15R1.1115 CO[C@H](C)CNC(=O)NCc1cccs1 2708a_100000211653_100020591295 [0,1,0,0,0,1|2,0,0]=4 593 B15R1.1115 CO[C@H](C)CNC(=O)NCc1cccs1 2708a_100020591295_100000211653 [0,1,0,0,0,1|2,0,0]=4 594 B15R1.1115 CO[C@H](C)CNC(=O)NCc1cccs1 273464a_100000211653_100020591295 [0,1,0,0,0,1|2,0,0]=4 595 B15R1.1115 CO[C@H](C)CNC(=O)NCc1cccs1 273464a_100020591295_100000211653 [0,1,0,0,0,1|2,0,0]=4 596 B15R1.1115 CO[C@H](C)CNC(=O)NCc1cccs1 512a_100000211653_100020591295 [0,1,0,0,0,1|2,0,0]=4 597 B15R1.1115 CO[C@H](C)CNC(=O)NCc1cccs1 512a_100020591295_100000211653 [0,1,0,0,0,1|2,0,0]=4 598 B15R1.1115 O=C(C=Cc1cccs1)NC[C@H](O)CO 240690a_100020644852_100000182767 [0,1,0,0,0,1|1,0,1]=4 599 B15R1.1115 O=C(CCc1ccc[nH]1)NC[C@H](O)CO 240690a_100020644852_200011998680 [0,1,0,0,0,1|2,0,0]=4 600 B15R1.1115 O=C(CCc1ccc[nH]1)NC[C@H](O)CO 527a_100020644852_200011998680 [0,1,0,0,0,1|2,0,0]=4 601 B15R1.1115 O=C(CCc1ccco1)NC[C@H](O)CO 527a_100020644852_100000185103 [0,1,0,0,0,1|1,1,0]=4 602 B15R1.1115 O=C(CCc1cccs1)NC[C@@H](F)CO 240690a_100015665980_100000185280 [0,1,0,0,0,1|2,0,0]=4 603 B15R1.1115 O=C(CCc1cccs1)NC[C@@H](F)CO 527a_100015665980_100000185280 [0,1,0,0,0,1|2,0,0]=4 604 B15R1.1115 O=C(CCc1cccs1)NC[C@H](O)CO 240690a_100020644852_100000185280 [0,1,0,0,0,1|1,0,0]=3 605 B15R1.1115 O=C(CCc1cccs1)NC[C@H](O)CO 527a_100020644852_100000185280 [0,1,0,0,0,1|1,0,0]=3 606 B15R1.1115 O=C(CCc1cncs1)NC[C@H](O)CO 240690a_100020644852_100012184922 [0,1,0,0,0,1|2,0,0]=4 607 B15R1.1115 O=C(CCc1cncs1)NC[C@H](O)CO 527a_100020644852_100012184922 [0,1,0,0,0,1|2,0,0]=4 608 B15R1.1115 O=C(CCc1nccs1)NC[C@H](O)CO 240690a_100020644852_100000742873 [0,1,0,0,0,1|2,0,0]=4 609 B15R1.1115 O=C(CCc1nccs1)NC[C@H](O)CO 527a_100020644852_100000742873 [0,1,0,0,0,1|2,0,0]=4 610 B15R1.1115 O=C(CSc1ccco1)NCC(O)CO 62a_100009814098_200012027429 [0,1,0,0,0,1|1,1,0]=4 611 B15R1.1115 O=C(CSc1ccco1)NCC(O)CO 62a_200012027429_100009814098 [0,1,0,0,0,1|1,1,0]=4 612 B15R1.1115 O=C(CSc1cccs1)NCC(O)CO 62a_100011215356_200012027429 [0,1,0,0,0,1|1,0,0]=3 613 B15R1.1115 O=C(CSc1cccs1)NCC(O)CO 62a_200012027429_100011215356 [0,1,0,0,0,1|1,0,0]=3 614 B15R1.1115 O=C(CSc1cncs1)NCC(O)CO 62a_100011934649_200012027429 [0,1,0,0,0,1|2,0,0]=4 615 B15R1.1115 O=C(CSc1cncs1)NCC(O)CO 62a_200012027429_100011934649 [0,1,0,0,0,1|2,0,0]=4 616 B15R1.1115 O=C(CSc1nccs1)NCC(O)CO 62a_100000211983_200012027429 [0,1,0,0,0,1|2,0,0]=4 617 B15R1.1115 O=C(CSc1nccs1)NCC(O)CO 62a_200012027429_100000211983 [0,1,0,0,0,1|2,0,0]=4 618 B15R1.1115 O=C(CSc1nccs1)NC[C@H](O)CO 240690a_100020644852_100000739254 [0,1,0,0,0,1|2,0,0]=4 619 B15R1.1115 O=C(NCc1ccco1)NC[C@H](O)CO 2708a_100000185738_100020644852 [0,1,0,0,0,1|1,1,0]=4 620 B15R1.1115 O=C(NCc1ccco1)NC[C@H](O)CO 273464a_100000185738_100020644852 [0,1,0,0,0,1|1,1,0]=4 621 B15R1.1115 O=C(NCc1cccs1)NC[C@@H](F)CO 2708a_100000211653_100015665980 [0,1,0,0,0,1|2,0,0]=4 622 B15R1.1115 O=C(NCc1cccs1)NC[C@@H](F)CO 273464a_100000211653_100015665980 [0,1,0,0,0,1|2,0,0]=4 623 B15R1.1115 O=C(NCc1cccs1)NC[C@@H](F)CO 273464a_100015665980_100000211653 [0,1,0,0,0,1|2,0,0]=4 624 B15R1.1115 O=C(NCc1cccs1)NC[C@@H](F)CO 512a_100000211653_100015665980 [0,1,0,0,0,1|2,0,0]=4 625 B15R1.1115 O=C(NCc1cccs1)NC[C@@H](F)CO 512a_100015665980_100000211653 [0,1,0,0,0,1|2,0,0]=4 626 B15R1.1115 O=C(NCc1cccs1)NC[C@H](O)CO 2708a_100000211653_100020644852 [0,1,0,0,0,1|1,0,0]=3 627 B15R1.1115 O=C(NCc1cccs1)NC[C@H](O)CO 273464a_100000211653_100020644852 [0,1,0,0,0,1|1,0,0]=3 628 B15R1.1115 O=C(NCc1cccs1)NC[C@H](O)CO 273464a_100020644852_100000211653 [0,1,0,0,0,1|1,0,0]=3 629 B15R1.1115 O=C(NCc1cncs1)NC[C@H](O)CO 2708a_100016987365_100020644852 [0,1,0,0,0,1|2,0,0]=4 630 B15R1.1115 O=C(NCc1cncs1)NC[C@H](O)CO 273464a_100016987365_100020644852 [0,1,0,0,0,1|2,0,0]=4 631 B15R1.1115 O=C(NCc1cncs1)NC[C@H](O)CO 273464a_100020644852_100016987365 [0,1,0,0,0,1|2,0,0]=4 632 B15R1.1115 O=C(NCc1nccs1)NC[C@H](O)CO 2708a_100000740555_100020644852 [0,1,0,0,0,1|2,0,0]=4 633 B15R1.1115 O=C(NCc1nccs1)NC[C@H](O)CO 273464a_100000740555_100020644852 [0,1,0,0,0,1|2,0,0]=4 634 B15R1.1115 O=C(NCc1nccs1)NC[C@H](O)CO 273464a_100020644852_100000740555 [0,1,0,0,0,1|2,0,0]=4 635 B15R1.5464 CC(O)CNC(=O)NCc1cc(cs1)Br 2708a_100000741024_100000210904 [0,1,0,0,0,1|2,0,0]=4 636 B15R1.5464 CC(O)CNC(=O)NCc1cc(cs1)Br 273464a_100000210904_100000741024 [0,1,0,0,0,1|2,0,0]=4 637 B15R1.5464 CC(O)CNC(=O)NCc1cc(cs1)Br 273464a_100000741024_100000210904 [0,1,0,0,0,1|2,0,0]=4 638 B15R1.5464 CC(O)CNC(=O)NCc1cc(cs1)Br 512a_100000210904_100000741024 [0,1,0,0,0,1|2,0,0]=4 639 B15R1.5464 CC(O)CNC(=O)NCc1cc(cs1)Br 512a_100000741024_100000210904 [0,1,0,0,0,1|2,0,0]=4 640 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Br 2708a_100000737305_100000210904 [0,1,0,0,0,1|2,0,0]=4 641 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Br 273464a_100000210904_100000737305 [0,1,0,0,0,1|2,0,0]=4 642 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Br 273464a_100000737305_100000210904 [0,1,0,0,0,1|2,0,0]=4 643 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Br 512a_100000210904_100000737305 [0,1,0,0,0,1|2,0,0]=4 644 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Br 512a_100000737305_100000210904 [0,1,0,0,0,1|2,0,0]=4 645 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Cl 2708a_100000737310_100000210904 [0,1,0,0,0,1|2,0,0]=4 646 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Cl 273464a_100000210904_100000737310 [0,1,0,0,0,1|2,0,0]=4 647 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Cl 273464a_100000737310_100000210904 [0,1,0,0,0,1|2,0,0]=4 648 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Cl 512a_100000210904_100000737310 [0,1,0,0,0,1|2,0,0]=4 649 B15R1.5464 CC(O)CNC(=O)NCc1ccc(s1)Cl 512a_100000737310_100000210904 [0,1,0,0,0,1|2,0,0]=4 650 B15R1.5464 Cc1ccc(s1)CNC(=O)NCC(C)O 2708a_100000238518_100000210904 [0,1,0,0,0,1|2,0,0]=4 651 B15R1.5464 Cc1ccc(s1)CNC(=O)NCC(C)O 273464a_100000210904_100000238518 [0,1,0,0,0,1|2,0,0]=4 652 B15R1.5464 Cc1ccc(s1)CNC(=O)NCC(C)O 273464a_100000238518_100000210904 [0,1,0,0,0,1|2,0,0]=4 653 B15R1.5464 Cc1ccc(s1)CNC(=O)NCC(C)O 512a_100000210904_100000238518 [0,1,0,0,0,1|2,0,0]=4 654 B15R1.5464 Cc1ccc(s1)CNC(=O)NCC(C)O 512a_100000238518_100000210904 [0,1,0,0,0,1|2,0,0]=4 655 B15R1.5464 Cc1csc(c1)CNC(=O)NCC(C)O 2708a_100015204214_100000210904 [0,1,0,0,0,1|2,0,0]=4 656 B15R1.5464 Cc1csc(c1)CNC(=O)NCC(C)O 273464a_100000210904_100015204214 [0,1,0,0,0,1|2,0,0]=4 657 B15R1.5464 Cc1csc(c1)CNC(=O)NCC(C)O 273464a_100015204214_100000210904 [0,1,0,0,0,1|2,0,0]=4 658 B15R1.5464 Cc1csc(c1)CNC(=O)NCC(C)O 512a_100000210904_100015204214 [0,1,0,0,0,1|2,0,0]=4 659 B15R1.5464 Cc1csc(c1)CNC(=O)NCC(C)O 512a_100015204214_100000210904 [0,1,0,0,0,1|2,0,0]=4 660 B15R1.5512 CC(O)CN(C)C(=O)CCc1cccs1 240690a_100000227577_100000185280 [0,1,0,0,0,1|2,0,0]=4 661 B15R1.5512 CC(O)CN(C)C(=O)CCc1cccs1 527a_100000227577_100000185280 [0,1,0,0,0,1|2,0,0]=4 662 B15R1.5512 CC(O)CN(C)C(=O)NCc1cccs1 2708a_100000211653_100000227577 [0,1,0,0,0,1|2,0,0]=4 663 B15R1.5912 CC(O)CNC(=O)NC(C)c1cccs1 2708a_100000703493_100000210904 [0,1,0,0,0,1|2,0,0]=4 664 B15R1.5912 CC(O)CNC(=O)NC(C)c1cccs1 273464a_100000210904_100000703493 [0,1,0,0,0,1|2,0,0]=4 665 B15R1.5912 CC(O)CNC(=O)NC(C)c1cccs1 273464a_100000703493_100000210904 [0,1,0,0,0,1|2,0,0]=4 666 B15R1.5912 CC(O)CNC(=O)NC(C)c1cccs1 512a_100000210904_100000703493 [0,1,0,0,0,1|2,0,0]=4 667 B15R1.5912 CC(O)CNC(=O)NC(C)c1cccs1 512a_100000703493_100000210904 [0,1,0,0,0,1|2,0,0]=4 668 B15R1.14834 CC(C)(O)CNC(=O)CCc1cccs1 1626a_100000751335_100000185280 [0,1,0,0,0,1|2,0,0]=4 669 B15R1.14834 CC(C)(O)CNC(=O)CCc1cccs1 240690a_100000751335_100000185280 [0,1,0,0,0,1|2,0,0]=4 670 B15R1.14834 CC(C)(O)CNC(=O)CCc1cccs1 527a_100000751335_100000185280 [0,1,0,0,0,1|2,0,0]=4 671 B15R1.14834 CC(C)(O)CNC(=O)NCc1cccs1 2708a_100000211653_100000751335 [0,1,0,0,0,1|2,0,0]=4 672 B15R1.14834 CC(C)(O)CNC(=O)NCc1cccs1 273464a_100000211653_100000751335 [0,1,0,0,0,1|2,0,0]=4 673 B15R1.14834 CC(C)(O)CNC(=O)NCc1cccs1 512a_100000211653_100000751335 [0,1,0,0,0,1|2,0,0]=4 674 B15R1.14834 CC(C)(O)CNC(=O)NCc1cccs1 512a_100000751335_100000211653 [0,1,0,0,0,1|2,0,0]=4 675 B15R1.963 CC(CO)CNC(=O)Cc1cc(cs1)Br 240690a_100000744482_100011542370 [0,2,0,0,0,0|2,0,0]=4 676 B15R1.963 CC(CO)CNC(=O)Cc1ccc(s1)Cl 240690a_100000744482_100000238644 [0,2,0,0,0,0|2,0,0]=4 677 B15R1.963 CCC(O)CNC(=O)Cc1cc(cs1)Br 11a_100011218483_100011542370 [0,2,0,0,0,0|2,0,0]=4 678 B15R1.963 CCC(O)CNC(=O)Cc1cc(cs1)Br 240690a_100011218483_100011542370 [0,2,0,0,0,0|2,0,0]=4 679 B15R1.963 CCC(O)CNC(=O)Cc1ccc(s1)Br 11a_100011218483_100000238643 [0,2,0,0,0,0|2,0,0]=4 680 B15R1.963 CCC(O)CNC(=O)Cc1ccc(s1)Cl 11a_100011218483_100000238644 [0,2,0,0,0,0|2,0,0]=4 681 B15R1.963 CCC(O)CNC(=O)Cc1ccc(s1)Cl 240690a_100011218483_100000238644 [0,2,0,0,0,0|2,0,0]=4 682 B15R1.963 COC(=O)CNC(=O)Cc1cc(cs1)Br 188690a_100000185156_100011542370 [0,2,0,0,0,0|1,0,1]=4 683 B15R1.963 CO[C@H](C)CNC(=O)Cc1cc(cs1)Br 11a_100020591295_100011542370 [0,2,0,0,0,0|2,0,0]=4 684 B15R1.963 CO[C@H](C)CNC(=O)Cc1cc(cs1)Br 1626a_100020591295_100011542370 [0,2,0,0,0,0|2,0,0]=4 685 B15R1.963 CO[C@H](C)CNC(=O)Cc1cc(cs1)Br 240690a_100020591295_100011542370 [0,2,0,0,0,0|2,0,0]=4 686 B15R1.963 CO[C@H](C)CNC(=O)Cc1ccc(s1)Br 11a_100020591295_100000238643 [0,2,0,0,0,0|2,0,0]=4 687 B15R1.963 CO[C@H](C)CNC(=O)Cc1ccc(s1)Br 1626a_100020591295_100000238643 [0,2,0,0,0,0|2,0,0]=4 688 B15R1.963 CO[C@H](C)CNC(=O)Cc1ccc(s1)Cl 11a_100020591295_100000238644 [0,2,0,0,0,0|2,0,0]=4 689 B15R1.963 CO[C@H](C)CNC(=O)Cc1ccc(s1)Cl 1626a_100020591295_100000238644 [0,2,0,0,0,0|2,0,0]=4 690 B15R1.963 CO[C@H](C)CNC(=O)Cc1ccc(s1)Cl 240690a_100020591295_100000238644 [0,2,0,0,0,0|2,0,0]=4 691 B15R1.963 Cc1csc(n1)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000734950 [0,2,0,0,0,0|2,0,0]=4 692 B15R1.963 O=C(Cc1cc(cs1)Br)NC[C@@H](F)CO 240690a_100015665980_100011542370 [0,2,0,0,0,0|2,0,0]=4 693 B15R1.963 O=C(Cc1cc(cs1)Br)NC[C@H](O)CO 240690a_100020644852_100011542370 [0,2,0,0,0,0|1,0,0]=3 694 B15R1.963 O=C(Cc1ccc(s1)Cl)NC[C@@H](F)CO 240690a_100015665980_100000238644 [0,2,0,0,0,0|2,0,0]=4 695 B15R1.963 O=C(Cc1ccc(s1)Cl)NC[C@H](O)CO 240690a_100020644852_100000238644 [0,2,0,0,0,0|1,0,0]=3 696 B15R1.5466 CC(O)CN(C)C(=O)Cc1cc(cs1)Br 240690a_100000227577_100011542370 [0,2,0,0,0,0|2,0,0]=4 697 B15R1.5466 CC(O)CN(C)C(=O)Cc1ccc(s1)Cl 240690a_100000227577_100000238644 [0,2,0,0,0,0|2,0,0]=4 698 B15R1.5496 CC(C)(O)CNC(=O)Cc1cc(cs1)Br 1626a_100000751335_100011542370 [0,2,0,0,0,0|2,0,0]=4 699 B15R1.5496 CC(C)(O)CNC(=O)Cc1cc(cs1)Br 240690a_100000751335_100011542370 [0,2,0,0,0,0|2,0,0]=4 700 B15R1.5496 CC(C)(O)CNC(=O)Cc1ccc(s1)Br 1626a_100000751335_100000238643 [0,2,0,0,0,0|2,0,0]=4 701 B15R1.5496 CC(C)(O)CNC(=O)Cc1ccc(s1)Cl 1626a_100000751335_100000238644 [0,2,0,0,0,0|2,0,0]=4 702 B15R1.5496 CC(C)(O)CNC(=O)Cc1ccc(s1)Cl 240690a_100000751335_100000238644 [0,2,0,0,0,0|2,0,0]=4 703 B15R1.516 CCN(C[C@H](C)O)C(=O)Cc1cccs1 240690a_100000729506_100000210189 [0,2,0,0,0,0|2,0,0]=4 704 B15R1.948 CN(CC(O)CO)C(=O)Cc1ccc[nH]1 240690a_100011216503_100000238377 [0,2,0,0,0,0|2,0,0]=4 705 B15R1.948 CN(CC(O)CO)C(=O)Cc1ccc[nH]1 527a_100011216503_100000238377 [0,2,0,0,0,0|2,0,0]=4 706 B15R1.948 CN(CC(O)CO)C(=O)Cc1ccco1 527a_100011216503_100011217309 [0,2,0,0,0,0|1,1,0]=4 707 B15R1.948 CN(CC(O)CO)C(=O)Cc1cccs1 240690a_100011216503_100000210189 [0,2,0,0,0,0|1,0,0]=3 708 B15R1.948 COC(=O)CN(C)C(=O)Cc1cccs1 11a_100000198492_100000210189 [0,2,0,0,0,0|1,0,1]=4 709 B15R1.948 COC(=O)CN(C)C(=O)Cc1cccs1 1626a_100000198492_100000210189 [0,2,0,0,0,0|1,0,1]=4 710 B15R1.948 COC(=O)CN(C)C(=O)Cc1cccs1 240690a_100000198492_100000210189 [0,2,0,0,0,0|1,0,1]=4 711 B15R1.9111 CN(CC(C)(C)O)C(=O)Cc1cccs1 1626a_100000755907_100000210189 [0,2,0,0,0,0|2,0,0]=4 712 B15R1.9111 CN(CC(C)(C)O)C(=O)Cc1cccs1 240690a_100000755907_100000210189 [0,2,0,0,0,0|2,0,0]=4 713 B15R1.330 CC(C)(CO)CNC(=O)Cc1cccs1 240690a_100020635058_100000210189 [0,2,0,0,0,0|2,0,0]=4 714 B15R1.330 COC(C)(C)CNC(=O)Cc1cccs1 11a_100000763424_100000210189 [0,2,0,0,0,0|2,0,0]=4 715 B15R1.330 COC(C)(C)CNC(=O)Cc1cccs1 1626a_100000763424_100000210189 [0,2,0,0,0,0|2,0,0]=4 716 B15R1.330 COC(C)(C)CNC(=O)Cc1cccs1 240690a_100000763424_100000210189 [0,2,0,0,0,0|2,0,0]=4 717 B15R1.330 O=C(Cc1cccs1)NCC(F)(F)CO 240690a_100000703232_100000210189 [0,2,0,0,0,0|2,0,0]=4 718 B15R1.466 CCC(CNC(=O)Cc1cccs1)OC 11a_100000731041_100000210189 [0,2,0,0,0,0|2,0,0]=4 719 B15R1.466 CCC(CNC(=O)Cc1cccs1)OC 1626a_100000731041_100000210189 [0,2,0,0,0,0|2,0,0]=4 720 B15R1.466 CCC(CNC(=O)Cc1cccs1)OC 240690a_100000731041_100000210189 [0,2,0,0,0,0|2,0,0]=4 721 B15R1.466 COC(CCC(=O)Cc1cccs1)OC 1458a_100000210189_100000139399 [0,2,0,0,0,0|2,0,0]=4 722 B15R1.466 COC(CNC(=O)Cc1ccc[nH]1)OC 11a_100000210479_100000238377 [0,2,0,0,0,0|2,0,0]=4 723 B15R1.466 COC(CNC(=O)Cc1ccc[nH]1)OC 240690a_100000210479_100000238377 [0,2,0,0,0,0|2,0,0]=4 724 B15R1.466 COC(CNC(=O)Cc1ccc[nH]1)OC 527a_100000210479_100000238377 [0,2,0,0,0,0|2,0,0]=4 725 B15R1.466 COC(CNC(=O)Cc1ccco1)OC 11a_100000210479_100011217309 [0,2,0,0,0,0|1,1,0]=4 726 B15R1.466 COC(CNC(=O)Cc1ccco1)OC 527a_100000210479_100011217309 [0,2,0,0,0,0|1,1,0]=4 727 B15R1.466 COC(CNC(=O)Cc1cccs1)OC 11a_100000210479_100000210189 [0,2,0,0,0,0|1,0,0]=3 728 B15R1.466 COC(CNC(=O)Cc1cccs1)OC 1626a_100000210479_100000210189 [0,2,0,0,0,0|1,0,0]=3 729 B15R1.466 COC(CNC(=O)Cc1cccs1)OC 240690a_100000210479_100000210189 [0,2,0,0,0,0|1,0,0]=3 730 B15R1.466 O=C(Cc1cccs1)NN=C(CO)CO 4a_100000189772_100000036256 [0,2,0,0,0,0|2,0,0]=4 731 B15R1.796 CCOC(=O)CNC(=O)Cc1cccs1 188690a_100000741813_100000210189 [0,2,0,0,0,0|1,0,1]=4 732 B15R1.796 COCC(O)CNC(=O)Cc1ccc[nH]1 240690a_100000756049_100000238377 [0,2,0,0,0,0|2,0,0]=4 733 B15R1.796 COCC(O)CNC(=O)Cc1ccc[nH]1 527a_100000756049_100000238377 [0,2,0,0,0,0|2,0,0]=4 734 B15R1.796 COCC(O)CNC(=O)Cc1ccco1 527a_100000756049_100011217309 [0,2,0,0,0,0|1,1,0]=4 735 B15R1.796 COCC(O)CNC(=O)Cc1cccs1 240690a_100000756049_100000210189 [0,2,0,0,0,0|1,0,0]=3 736 B15R1.1341 COC(=O)[C@@H](C)NC(=O)Cc1cccs1 188690a_100000687819_100000210189 [0,2,0,0,0,0|1,0,1]=4 737 B15R1.12290 CC(O)CNC(=O)C(C)(C)c1cccs1 11a_100000210904_100000756239 [0,2,0,0,0,0|2,0,0]=4 738 B15R1.12290 CC(O)CNC(=O)C(C)(C)c1cccs1 240690a_100000210904_100000756239 [0,2,0,0,0,0|2,0,0]=4 739 B15R1.12290 CC(O)CNC(=O)C(C)(C)c1cccs1 527a_100000210904_100000756239 [0,2,0,0,0,0|2,0,0]=4 740 B15R1.3185 CC[C@H](NC(=O)Cc1cccs1)[C@@H](C)O 11a_100161114882_100000210189 [0,2,0,0,0,0|2,0,0]=4 741 B15R1.3185 CC[C@H](NC(=O)Cc1cccs1)[C@@H](C)O 1626a_100161114882_100000210189 [0,2,0,0,0,0|2,0,0]=4 742 B15R1.3185 CC[C@H](NC(=O)Cc1cccs1)[C@@H](C)O 240690a_100161114882_100000210189 [0,2,0,0,0,0|2,0,0]=4 743 B15R1.3185 C[C@@H](O)[C@@H](CO)NC(=O)Cc1cccs1 240690a_100015196842_100000210189 [0,2,0,0,0,0|2,0,0]=4 744 B15R1.9112 C[C@H](NC(=O)Cc1cccs1)C(C)(C)O 11a_100025708725_100000210189 [0,2,0,0,0,0|2,0,0]=4 745 B15R1.9112 C[C@H](NC(=O)Cc1cccs1)C(C)(C)O 1626a_100025708725_100000210189 [0,2,0,0,0,0|2,0,0]=4 746 B15R1.9112 C[C@H](NC(=O)Cc1cccs1)C(C)(C)O 240690a_100025708725_100000210189 [0,2,0,0,0,0|2,0,0]=4 747 B13R2.696 O=C(Cc1cccs1)CC2CO2 1458a_100000210189_100011216344 [1,0,0,1,0,0|2,0,0]=4 748 B13R2.696 O=C(Cc1cccs1)C[C@@H]2CO2 1458a_100000210189_100000745022 [1,0,0,1,0,0|2,0,0]=4 749 B13R2.696 O=C(Cc1cccs1)NC2CC2 1626a_100000212008_100000210189 [1,0,0,1,0,0|2,0,0]=4 750 B13R2.696 O=C(Cc1cccs1)NC2CC2 240690a_100000212008_100000210189 [1,0,0,1,0,0|2,0,0]=4 751 B13R2.14233 O=C(Cc1cccs1)N2CCC2 11a_100000754969_100000210189 [1,0,0,1,0,0|2,0,0]=4 752 B13R2.14233 O=C(Cc1cccs1)N2CCC2 240690a_100000754969_100000210189 [1,0,0,1,0,0|2,0,0]=4 753 B15R2.289 O=C(Cc1cccs1)N2CCC(C2)O 240690a_100011215560_100000210189 [0,0,0,1,0,1|2,0,0]=4 754 B15R2.1091 O=C(Cc1cccs1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000210189 [0,0,0,1,0,1|2,0,0]=4 755 B15R2.1091 O=C(Cc1cccs1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000210189 [0,0,0,1,0,1|2,0,0]=4 756 B15R2.1091 O=C(Cc1cccs1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000210189 [0,0,0,1,0,1|2,0,0]=4 757 B15R2.1095 O=C(CCc1cccs1)N2CC(C2)O 11a_100000749847_100000185280 [0,0,0,1,0,1|2,0,0]=4 758 B15R2.1095 O=C(CCc1cccs1)N2CC(C2)O 240690a_100000749847_100000185280 [0,0,0,1,0,1|2,0,0]=4 759 B15R2.1095 O=C(CCc1cccs1)N2CC(C2)O 527a_100000749847_100000185280 [0,0,0,1,0,1|2,0,0]=4 760 B15R2.1095 O=C(CSc1cccs1)N2CC(C2)O 62a_100013143841_100011215356 [0,0,0,1,0,1|2,0,0]=4 761 B15R2.1095 O=C(NCc1cccs1)N2CC(C2)O 2708a_100000211653_100000749847 [0,0,0,1,0,1|2,0,0]=4 762 B15R2.1095 O=C(NCc1cccs1)N2CC(C2)O 273464a_100000211653_100000749847 [0,0,0,1,0,1|2,0,0]=4 763 B15R2.6903 O=C(Cc1cc(cs1)Br)N2CC(C2)O 11a_100000749847_100011542370 [0,1,0,1,0,0|2,0,0]=4 764 B15R2.6903 O=C(Cc1cc(cs1)Br)N2CC(C2)O 240690a_100000749847_100011542370 [0,1,0,1,0,0|2,0,0]=4 765 B15R2.6903 O=C(Cc1ccc(s1)Br)N2CC(C2)O 11a_100000749847_100000238643 [0,1,0,1,0,0|2,0,0]=4 766 B15R2.6903 O=C(Cc1ccc(s1)Cl)N2CC(C2)O 11a_100000749847_100000238644 [0,1,0,1,0,0|2,0,0]=4 767 B15R2.6903 O=C(Cc1ccc(s1)Cl)N2CC(C2)O 240690a_100000749847_100000238644 [0,1,0,1,0,0|2,0,0]=4 768 B15R2.70039 CC1(CN(C1)C(=O)Cc2cccs2)O 11a_100000718560_100000210189 [0,1,0,1,0,0|2,0,0]=4 769 B15R2.70039 CC1(CN(C1)C(=O)Cc2cccs2)O 240690a_100000718560_100000210189 [0,1,0,1,0,0|2,0,0]=4 770 B15R2.1023 C[C@H]1[C@H](CN1C(=O)Cc2cccs2)O 11a_206633788156_100000210189 [0,1,0,1,0,0|2,0,0]=4 771 B15R2.1023 C[C@H]1[C@H](CN1C(=O)Cc2cccs2)O 240690a_206633788156_100000210189 [0,1,0,1,0,0|2,0,0]=4 772 B15R2.2002 COC1CN(C1)C(=O)Cc2cccs2 11a_100000755009_100000210189 [0,1,0,1,0,0|2,0,0]=4 773 B15R2.2002 COC1CN(C1)C(=O)Cc2cccs2 1626a_100000755009_100000210189 [0,1,0,1,0,0|2,0,0]=4 774 B15R2.2002 COC1CN(C1)C(=O)Cc2cccs2 240690a_100000755009_100000210189 [0,1,0,1,0,0|2,0,0]=4 775 B15R2.2002 O=C(Cc1cccs1)N2CC(C2)CO 240690a_100016987283_100000210189 [0,1,0,1,0,0|2,0,0]=4 776 B15R2.16440 O=C(Cc1cccs1)NCC2COC2 11a_100015281925_100000210189 [0,1,0,1,0,0|2,0,0]=4 777 B15R2.16440 O=C(Cc1cccs1)NCC2COC2 1626a_100015281925_100000210189 [0,1,0,1,0,0|2,0,0]=4 778 B15R2.16440 O=C(Cc1cccs1)NCC2COC2 240690a_100015281925_100000210189 [0,1,0,1,0,0|2,0,0]=4 779 B15R2.16440 O=C(Cc1cccs1)NC[C@@H]2CCO2 11a_100020831831_100000210189 [0,1,0,1,0,0|2,0,0]=4 780 B15R2.16440 O=C(Cc1cccs1)NC[C@@H]2CCO2 1626a_100020831831_100000210189 [0,1,0,1,0,0|2,0,0]=4 781 B15R2.16440 O=C(Cc1cccs1)NC[C@@H]2CCO2 240690a_100020831831_100000210189 [0,1,0,1,0,0|2,0,0]=4 782 B15R2.70102 O=C(Cc1cccs1)NCC2(CC2)O 11a_100011936951_100000210189 [0,1,0,1,0,0|2,0,0]=4 783 B15R2.70102 O=C(Cc1cccs1)NCC2(CC2)O 240690a_100011936951_100000210189 [0,1,0,1,0,0|2,0,0]=4 784 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [1,0,0,0,1,0|2,0,0]=4 785 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [1,0,0,0,1,0|2,0,0]=4 786 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [1,0,0,0,1,0|2,0,0]=4 787 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [1,0,0,0,1,0|2,0,0]=4 788 B11R1.35 O=C(Cc1cncs1)C(O)O 1458a_100000233687_100015185245 [0,0,0,0,2,0|2,0,0]=4 789 B11R1.35 O=C(Cc1nccs1)C(O)O 1458a_100000233687_100015184050 [0,0,0,0,2,0|2,0,0]=4 790 B13R1.44 O=C(Cc1cccnc1)NCCO 240690a_100000210304_100000737805 [1,0,0,0,0,1|2,0,0]=4 791 B13R1.44 O=C(Cc1cccnc1)NCCO 527a_100000210304_100000737805 [1,0,0,0,0,1|2,0,0]=4 792 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [1,0,0,0,0,1|2,0,0]=4 793 B13R1.44 O=C(Cc1cnccn1)NCCO 240690a_100000210304_100000726051 [1,0,0,0,0,1|2,0,0]=4 794 B13R1.44 O=C(Cc1cnccn1)NCCO 527a_100000210304_100000726051 [1,0,0,0,0,1|2,0,0]=4 795 B13R1.153 C#CCNC(=O)CCc1cccs1 11a_100000212058_100000185280 [1,0,0,0,0,1|2,0,0]=4 796 B13R1.153 C#CCNC(=O)CCc1cccs1 1626a_100000212058_100000185280 [1,0,0,0,0,1|2,0,0]=4 797 B13R1.153 C#CCNC(=O)CCc1cccs1 240690a_100000212058_100000185280 [1,0,0,0,0,1|2,0,0]=4 798 B13R1.153 C#CCNC(=O)CCc1cccs1 527a_100000212058_100000185280 [1,0,0,0,0,1|2,0,0]=4 799 B13R1.153 C#CCNC(=O)NCc1cccs1 2708a_100000211653_100000212058 [1,0,0,0,0,1|2,0,0]=4 800 B13R1.153 C#CCNC(=O)NCc1cccs1 2708a_100000212058_100000211653 [1,0,0,0,0,1|2,0,0]=4 801 B13R1.153 C#CCNC(=O)NCc1cccs1 273464a_100000211653_100000212058 [1,0,0,0,0,1|2,0,0]=4 802 B13R1.153 C#CCNC(=O)NCc1cccs1 273464a_100000212058_100000211653 [1,0,0,0,0,1|2,0,0]=4 803 B13R1.153 C#CCNC(=O)NCc1cccs1 512a_100000211653_100000212058 [1,0,0,0,0,1|2,0,0]=4 804 B13R1.153 C#CCNC(=O)NCc1cccs1 512a_100000212058_100000211653 [1,0,0,0,0,1|2,0,0]=4 805 B13R1.153 C=CCNC(=O)CCc1cccs1 1626a_100020586998_100000185280 [1,0,0,0,0,1|2,0,0]=4 806 B13R1.153 C=CCNC(=O)CCc1cccs1 240690a_100020586998_100000185280 [1,0,0,0,0,1|2,0,0]=4 807 B13R1.153 C=CCNC(=O)CCc1cccs1 527a_100020586998_100000185280 [1,0,0,0,0,1|2,0,0]=4 808 B13R1.153 C=CCNC(=O)CSc1cccs1 62a_100000183597_100011215356 [1,0,0,0,0,1|2,0,0]=4 809 B13R1.153 C=CCNC(=O)CSc1cccs1 62a_100011215356_100000183597 [1,0,0,0,0,1|2,0,0]=4 810 B13R1.153 C=CCNC(=O)NCc1cccs1 2708a_100000211653_100020586998 [1,0,0,0,0,1|2,0,0]=4 811 B13R1.153 C=CCNC(=O)NCc1cccs1 273464a_100000211653_100020586998 [1,0,0,0,0,1|2,0,0]=4 812 B13R1.153 C=CCNC(=O)NCc1cccs1 273464a_100020586998_100000211653 [1,0,0,0,0,1|2,0,0]=4 813 B13R1.153 C=CCNC(=O)NCc1cccs1 512a_100000211653_100020586998 [1,0,0,0,0,1|2,0,0]=4 814 B13R1.153 C=CCNC(=O)NCc1cccs1 512a_100020586998_100000211653 [1,0,0,0,0,1|2,0,0]=4 815 B13R1.153 CCCNC(=O)CCc1cccs1 11a_100020643023_100000185280 [1,0,0,0,0,1|2,0,0]=4 816 B13R1.153 CCCNC(=O)CCc1cccs1 1626a_100020643023_100000185280 [1,0,0,0,0,1|2,0,0]=4 817 B13R1.153 CCCNC(=O)CCc1cccs1 240690a_100020643023_100000185280 [1,0,0,0,0,1|2,0,0]=4 818 B13R1.153 CCCNC(=O)CCc1cccs1 527a_100020643023_100000185280 [1,0,0,0,0,1|2,0,0]=4 819 B13R1.153 CCCNC(=O)CSc1cccs1 62a_100000183358_100011215356 [1,0,0,0,0,1|2,0,0]=4 820 B13R1.153 CCCNC(=O)CSc1cccs1 62a_100011215356_100000183358 [1,0,0,0,0,1|2,0,0]=4 821 B13R1.153 CCCNC(=O)NCc1cccs1 2708a_100000211653_100020643023 [1,0,0,0,0,1|2,0,0]=4 822 B13R1.153 CCCNC(=O)NCc1cccs1 2708a_100020643023_100000211653 [1,0,0,0,0,1|2,0,0]=4 823 B13R1.153 CCCNC(=O)NCc1cccs1 273464a_100000211653_100020643023 [1,0,0,0,0,1|2,0,0]=4 824 B13R1.153 CCCNC(=O)NCc1cccs1 273464a_100020643023_100000211653 [1,0,0,0,0,1|2,0,0]=4 825 B13R1.153 CCCNC(=O)NCc1cccs1 512a_100000211653_100020643023 [1,0,0,0,0,1|2,0,0]=4 826 B13R1.153 CCCNC(=O)NCc1cccs1 512a_100020643023_100000211653 [1,0,0,0,0,1|2,0,0]=4 827 B13R1.153 N#CCNC(=O)CCc1cccs1 1626a_100000734998_100000185280 [1,0,0,0,0,1|2,0,0]=4 828 B13R1.153 N#CCNC(=O)CCc1cccs1 527a_100000734998_100000185280 [1,0,0,0,0,1|2,0,0]=4 829 B13R1.153 N#CCNC(=O)CSc1cccs1 62a_100000736037_100011215356 [1,0,0,0,0,1|2,0,0]=4 830 B13R1.153 N#CCNC(=O)CSc1cccs1 62a_100011215356_100000736037 [1,0,0,0,0,1|2,0,0]=4 831 B13R1.153 N#CCNC(=O)NCc1cccs1 2708a_100000734998_100000211653 [1,0,0,0,0,1|2,0,0]=4 832 B13R1.153 N#CCNC(=O)NCc1cccs1 273464a_100000211653_100000734998 [1,0,0,0,0,1|2,0,0]=4 833 B13R1.153 N#CCNC(=O)NCc1cccs1 273464a_100000734998_100000211653 [1,0,0,0,0,1|2,0,0]=4 834 B13R1.153 N#CCNC(=O)NCc1cccs1 512a_100000211653_100000734998 [1,0,0,0,0,1|2,0,0]=4 835 B13R1.153 N#CCNC(=O)NCc1cccs1 512a_100000734998_100000211653 [1,0,0,0,0,1|2,0,0]=4 836 B13R1.153 O=C(C=Cc1cccs1)NCCO 240690a_100000210304_100000182767 [1,0,0,0,0,1|1,0,1]=4 837 B13R1.153 O=C(CCCO)CCc1cccs1 1458a_100000185280_100011215043 [1,0,0,0,0,1|2,0,0]=4 838 B13R1.153 O=C(CCc1ccc[nH]1)NCCO 240690a_100000210304_200011998680 [1,0,0,0,0,1|2,0,0]=4 839 B13R1.153 O=C(CCc1ccc[nH]1)NCCO 527a_100000210304_200011998680 [1,0,0,0,0,1|2,0,0]=4 840 B13R1.153 O=C(CCc1ccco1)NCCO 527a_100000210304_100000185103 [1,0,0,0,0,1|1,1,0]=4 841 B13R1.153 O=C(CCc1cccs1)NCCF 11a_100000724931_100000185280 [1,0,0,0,0,1|2,0,0]=4 842 B13R1.153 O=C(CCc1cccs1)NCCF 1626a_100000724931_100000185280 [1,0,0,0,0,1|2,0,0]=4 843 B13R1.153 O=C(CCc1cccs1)NCCF 240690a_100000724931_100000185280 [1,0,0,0,0,1|2,0,0]=4 844 B13R1.153 O=C(CCc1cccs1)NCCF 527a_100000724931_100000185280 [1,0,0,0,0,1|2,0,0]=4 845 B13R1.153 O=C(CCc1cccs1)NCCO 240690a_100000210304_100000185280 [1,0,0,0,0,1|1,0,0]=3 846 B13R1.153 O=C(CCc1cccs1)NCCO 527a_100000210304_100000185280 [1,0,0,0,0,1|1,0,0]=3 847 B13R1.153 O=C(CCc1cncs1)NCCO 240690a_100000210304_100012184922 [1,0,0,0,0,1|2,0,0]=4 848 B13R1.153 O=C(CCc1cncs1)NCCO 527a_100000210304_100012184922 [1,0,0,0,0,1|2,0,0]=4 849 B13R1.153 O=C(CCc1nccs1)NCCO 240690a_100000210304_100000742873 [1,0,0,0,0,1|2,0,0]=4 850 B13R1.153 O=C(CCc1nccs1)NCCO 527a_100000210304_100000742873 [1,0,0,0,0,1|2,0,0]=4 851 B13R1.153 O=C(CSc1nccs1)NCCO 240690a_100000210304_100000739254 [1,0,0,0,0,1|2,0,0]=4 852 B13R1.153 O=C(NCCF)NCc1cccs1 2708a_100000211653_100000724931 [1,0,0,0,0,1|2,0,0]=4 853 B13R1.153 O=C(NCCF)NCc1cccs1 273464a_100000211653_100000724931 [1,0,0,0,0,1|2,0,0]=4 854 B13R1.153 O=C(NCCF)NCc1cccs1 273464a_100000724931_100000211653 [1,0,0,0,0,1|2,0,0]=4 855 B13R1.153 O=C(NCCF)NCc1cccs1 512a_100000211653_100000724931 [1,0,0,0,0,1|2,0,0]=4 856 B13R1.153 O=C(NCCO)NCc1ccc[nH]1 273464a_100000210304_100000764082 [1,0,0,0,0,1|2,0,0]=4 857 B13R1.153 O=C(NCCO)NCc1ccc[nH]1 273464a_100000764082_100000210304 [1,0,0,0,0,1|2,0,0]=4 858 B13R1.153 O=C(NCCO)NCc1ccco1 2708a_100000185738_100000210304 [1,0,0,0,0,1|1,1,0]=4 859 B13R1.153 O=C(NCCO)NCc1ccco1 273464a_100000185738_100000210304 [1,0,0,0,0,1|1,1,0]=4 860 B13R1.153 O=C(NCCO)NCc1ccco1 512a_100000185738_100000210304 [1,0,0,0,0,1|1,1,0]=4 861 B13R1.153 O=C(NCCO)NCc1cccs1 2708a_100000211653_100000210304 [1,0,0,0,0,1|1,0,0]=3 862 B13R1.153 O=C(NCCO)NCc1cccs1 273464a_100000210304_100000211653 [1,0,0,0,0,1|1,0,0]=3 863 B13R1.153 O=C(NCCO)NCc1cccs1 273464a_100000211653_100000210304 [1,0,0,0,0,1|1,0,0]=3 864 B13R1.153 O=C(NCCO)NCc1cccs1 512a_100000211653_100000210304 [1,0,0,0,0,1|1,0,0]=3 865 B13R1.153 O=C(NCCO)NCc1cncs1 2708a_100016987365_100000210304 [1,0,0,0,0,1|2,0,0]=4 866 B13R1.153 O=C(NCCO)NCc1cncs1 273464a_100000210304_100016987365 [1,0,0,0,0,1|2,0,0]=4 867 B13R1.153 O=C(NCCO)NCc1cncs1 273464a_100016987365_100000210304 [1,0,0,0,0,1|2,0,0]=4 868 B13R1.153 O=C(NCCO)NCc1cncs1 512a_100016987365_100000210304 [1,0,0,0,0,1|2,0,0]=4 869 B13R1.153 O=C(NCCO)NCc1nccs1 2708a_100000740555_100000210304 [1,0,0,0,0,1|2,0,0]=4 870 B13R1.153 O=C(NCCO)NCc1nccs1 273464a_100000210304_100000740555 [1,0,0,0,0,1|2,0,0]=4 871 B13R1.153 O=C(NCCO)NCc1nccs1 273464a_100000740555_100000210304 [1,0,0,0,0,1|2,0,0]=4 872 B13R1.153 O=C(NCCO)NCc1nccs1 512a_100000740555_100000210304 [1,0,0,0,0,1|2,0,0]=4 873 B13R1.343 OB(O)CCCCSc1cccs1 62a_100011215356_200009817182 [1,0,0,0,0,1|1,0,1]=4 874 B13R1.343 OB(O)CCCCSc1cccs1 62a_200009817182_100011215356 [1,0,0,0,0,1|1,0,1]=4 875 B15R1.503 CC(O)CCNC(=O)CCc1cccs1 240690a_200000755665_100000185280 [0,0,0,0,0,2|2,0,0]=4 876 B15R1.503 CC(O)CCNC(=O)CCc1cccs1 527a_200000755665_100000185280 [0,0,0,0,0,2|2,0,0]=4 877 B15R1.503 CC(O)CCNC(=O)NCc1cccs1 2708a_100000211653_200000755665 [0,0,0,0,0,2|2,0,0]=4 878 B15R1.503 CC(O)CCNC(=O)NCc1cccs1 273464a_200000755665_100000211653 [0,0,0,0,0,2|2,0,0]=4 879 B15R1.503 CC(O)CCNC(=O)NCc1cccs1 512a_100000211653_200000755665 [0,0,0,0,0,2|2,0,0]=4 880 B15R1.503 CC(O)CCNC(=O)NCc1cccs1 512a_200000755665_100000211653 [0,0,0,0,0,2|2,0,0]=4 881 B15R1.503 CC(O)CNCC(=O)NCc1cccs1 2230a_100000210904_100000182718 [0,0,0,0,0,2|2,0,0]=4 882 B15R1.503 CC(O)CNCC(=O)NCc1cccs1 34a_100000210904_100000182718 [0,0,0,0,0,2|2,0,0]=4 883 B15R1.503 CC(O)CNNC(=O)CCc1cccs1 22a_200000730056_100000185280 [0,0,0,0,0,2|2,0,0]=4 884 B15R1.503 CC(O)CNNC(=O)NCc1cccs1 512a_100000211653_200000730056 [0,0,0,0,0,2|2,0,0]=4 885 B15R1.503 CC(O)CNNC(=O)NCc1cccs1 512a_200000730056_100000211653 [0,0,0,0,0,2|2,0,0]=4 886 B15R1.503 O=C(C/C=C/B(O)O)CCc1cccs1 1458a_100000185280_100016262062 [0,0,0,0,0,2|1,0,1]=4 887 B15R1.503 O=C(O)CNCC(=O)NCc1cccs1 269956a_100016091260_100000182718 [0,0,0,0,0,2|1,0,1]=4 888 B15R1.507 CC(Cc1cccs1)NC/C=C/B(O)O 2230a_100000751415_100016262062 [0,0,0,0,0,2|1,0,1]=4 889 B15R1.507 O=C(CCCCB(O)O)Cc1ccc[nH]1 1458a_100000238377_200009817182 [0,0,0,0,0,2|2,0,0]=4 890 B15R1.507 O=C(CCCCB(O)O)Cc1ccco1 1458a_100011217309_200009817182 [0,0,0,0,0,2|1,1,0]=4 891 B15R1.507 O=C(CCCCB(O)O)Cc1cccs1 1458a_100000210189_200009817182 [0,0,0,0,0,2|1,0,0]=3 892 B15R1.12292 CC(O)CNC(=O)CCCc1cccs1 11a_100000210904_100000184482 [0,0,0,0,0,2|2,0,0]=4 893 B15R1.12292 CC(O)CNC(=O)CCCc1cccs1 240690a_100000210904_100000184482 [0,0,0,0,0,2|2,0,0]=4 894 B15R1.12292 CC(O)CNC(=O)CCCc1cccs1 527a_100000210904_100000184482 [0,0,0,0,0,2|2,0,0]=4 895 B15R1.12292 CC(O)CNC(=O)NCCc1cccs1 2708a_100000203755_100000210904 [0,0,0,0,0,2|2,0,0]=4 896 B15R1.12292 CC(O)CNC(=O)NCCc1cccs1 273464a_100000203755_100000210904 [0,0,0,0,0,2|2,0,0]=4 897 B15R1.12292 CC(O)CNC(=O)NCCc1cccs1 273464a_100000210904_100000203755 [0,0,0,0,0,2|2,0,0]=4 898 B15R1.12292 CC(O)CNC(=O)NCCc1cccs1 512a_100000203755_100000210904 [0,0,0,0,0,2|2,0,0]=4 899 B15R1.12292 CC(O)CNC(=O)NCCc1cccs1 512a_100000210904_100000203755 [0,0,0,0,0,2|2,0,0]=4