0 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,0,0,0,0,0|2,1,0]=3 11 B11R1.172 C=C(C)CNCc1ccoc1 2230a_100015206860_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.172 C=C(C)CNCc1ccoc1 34a_100015206860_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.172 C=C(C)CNCc1ccsc1 2230a_100000186416_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.172 C=C(C)CNCc1ccsc1 34a_100000186416_100000748629 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.172 C=C(C)CNCc1cncs1 2230a_100016987365_100000748629 [0,0,0,0,0,0|3,1,0]=4 16 B11R1.172 C=C(C)CNCc1cscn1 2230a_100015185402_100000748629 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.172 C=C(C)CNCc1nccs1 2230a_100000740555_100000748629 [0,0,0,0,0,0|3,1,0]=4 19 B11R1.172 C=C(C)COCc1c[nH]cn1 34a_100000210245_100000707719 [0,0,0,0,0,0|3,1,0]=4 20 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,0|1,1,0]=2 21 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,0,0,0,0,0|1,2,0]=3 22 B11R1.172 C=C(C)COCc1ccn[nH]1 34a_100000210245_100000728653 [0,0,0,0,0,0|3,1,0]=4 23 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,0,0,0,0,0|2,1,0]=3 24 B11R1.172 C=C(C)COCc1ccoc1 34a_100011215357_100000748629 [0,0,0,0,0,0|3,1,0]=4 25 B11R1.172 C=C(C)COCc1ccon1 34a_100000210245_100000234950 [0,0,0,0,0,0|3,1,0]=4 26 B11R1.172 C=C(C)COCc1ccsc1 34a_100000210245_100011261437 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.172 C=C(C)COCc1ccsc1 34a_100011215551_100000748629 [0,0,0,0,0,0|3,1,0]=4 28 B11R1.172 C=C(C)COCc1cncs1 34a_100000210245_100015185245 [0,0,0,0,0,0|2,2,0]=4 29 B11R1.172 C=C(C)COCc1cscn1 34a_100000210245_100000205941 [0,0,0,0,0,0|3,1,0]=4 30 B11R1.172 C=C(C)COCc1ncc[nH]1 34a_100000210245_100016991755 [0,0,0,0,0,0|3,1,0]=4 31 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,0,0,0,0,0|2,1,0]=3 32 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,0,0,0,0,0|2,1,0]=3 33 B11R1.172 C=C(C)COCc1nccs1 34a_100000210245_100015184050 [0,0,0,0,0,0|2,2,0]=4 34 B11R1.172 C=C(C)COCn1cccn1 34a_100000731028_100000748629 [0,0,0,0,0,0|3,1,0]=4 35 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000707719_100000211660 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000748629_100000707719 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.172 C=C(C)CSCc1ccn[nH]1 62a_100000728653_100000211660 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.172 C=C(C)CSCc1ccn[nH]1 62a_100000748629_100000728653 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.172 C=C(C)CSCc1ccon1 62a_100000234950_100000211660 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.172 C=C(C)CSCc1ccon1 62a_100000748629_100000234950 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.172 C=C(C)CSCc1ccsc1 62a_100000748629_100011233845 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.172 C=C(C)CSCc1ccsc1 62a_100011261437_100000211660 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.172 C=C(C)CSCc1cncs1 62a_100000748629_100015185245 [0,0,0,0,0,0|2,1,0]=3 44 B11R1.172 C=C(C)CSCc1cncs1 62a_100015185245_100000211660 [0,0,0,0,0,0|2,1,0]=3 45 B11R1.172 C=C(C)CSCc1cscn1 62a_100000205941_100000211660 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.172 C=C(C)CSCc1cscn1 62a_100000748629_100000205941 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.172 C=C(C)CSCc1ncc[nH]1 62a_100000748629_100016991755 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.172 C=C(C)CSCc1ncc[nH]1 62a_100016991755_100000211660 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.172 C=C(C)CSCc1nccs1 62a_100000748629_100015184050 [0,0,0,0,0,0|2,1,0]=3 52 B11R1.172 C=C(C)CSCc1nccs1 62a_100015184050_100000211660 [0,0,0,0,0,0|2,1,0]=3 53 B11R1.172 C=C(C)CSCc1ncon1 62a_100000233494_100000211660 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.172 C=C(C)CSCc1ncon1 62a_100000748629_100000233494 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.172 C=C(C)CSCn1cncn1 62a_100000748629_200020645497 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.172 C=C(C)CSCn1cncn1 62a_200020645497_100000211660 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.172 C=C(F)CNCc1cccs1 2230a_100000211653_100009893438 [0,0,0,0,0,0|2,1,1]=4 60 B11R1.172 C=C(F)CNCc1ncco1 2230a_100016994969_100009893438 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,0,0,0,0,0|1,1,1]=3 62 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [0,0,0,0,0,0|1,2,1]=4 63 B11R1.172 C=C(F)COCc1ccno1 34a_100000740478_100009893438 [0,0,0,0,0,0|2,1,1]=4 64 B11R1.172 C=C(F)COCc1ncco1 34a_100000062594_100009893438 [0,0,0,0,0,0|2,1,1]=4 65 B11R1.172 C=C(F)COCc1ncco1 34a_200010262243_103436540062 [0,0,0,0,0,0|2,1,1]=4 66 B11R1.172 C=C(F)CSCc1c[nH]cn1 62a_100000042424_100000707719 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.172 C=C(F)CSCc1c[nH]cn1 62a_100000707719_100000042424 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.172 C=C(F)CSCc1ccn[nH]1 62a_100000042424_100000728653 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.172 C=C(F)CSCc1ccn[nH]1 62a_100000728653_100000042424 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.172 C=C(F)CSCc1ccon1 62a_100000042424_100000234950 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.172 C=C(F)CSCc1ccon1 62a_100000234950_100000042424 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.172 C=C(F)CSCc1ccsc1 62a_100000042424_100011233845 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.172 C=C(F)CSCc1ccsc1 62a_100011261437_100000042424 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.172 C=C(F)CSCc1cncs1 62a_100000042424_100015185245 [0,0,0,0,0,0|2,1,1]=4 75 B11R1.172 C=C(F)CSCc1cncs1 62a_100015185245_100000042424 [0,0,0,0,0,0|2,1,1]=4 76 B11R1.172 C=C(F)CSCc1cscn1 62a_100000042424_100000205941 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.172 C=C(F)CSCc1cscn1 62a_100000205941_100000042424 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.172 C=C(F)CSCc1ncc[nH]1 62a_100000042424_100016991755 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.172 C=C(F)CSCc1ncc[nH]1 62a_100016991755_100000042424 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.172 C=C(F)CSCc1ncco1 62a_100000042424_103436540062 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.172 C=C(F)CSCc1ncco1 62a_103436540062_100000042424 [0,0,0,0,0,0|2,0,1]=3 82 B11R1.172 C=C(F)CSCc1nccs1 62a_100000042424_100015184050 [0,0,0,0,0,0|2,1,1]=4 83 B11R1.172 C=C(F)CSCc1nccs1 62a_100015184050_100000042424 [0,0,0,0,0,0|2,1,1]=4 84 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.172 CC(=O)CCCN1CC=CC1 269982a_100015195280_100011215641 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,0|1,1,0]=2 88 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,0|1,1,0]=2 89 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,0|2,0,0]=2 103 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,0|2,1,0]=3 105 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,0|2,1,0]=3 106 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,0|3,1,0]=4 117 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,0|3,1,0]=4 118 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,0|3,1,0]=4 125 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,0|3,1,0]=4 126 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,0|2,1,0]=3 127 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,0,0,0,0,0|2,1,0]=3 128 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,0|2,1,0]=3 129 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,0|2,1,0]=3 130 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,0|1,2,0]=3 131 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,0|2,1,0]=3 132 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,0|2,1,0]=3 133 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,0|1,1,0]=2 134 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,0|1,2,0]=3 135 B11R1.172 CC(=O)COCc1ncon1 34a_100000211253_100000233494 [0,0,0,0,0,0|3,1,0]=4 136 B11R1.172 CC(=O)COCn1cncn1 34a_100000211253_200020645497 [0,0,0,0,0,0|3,1,0]=4 137 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,0,0,0|0,0,4]=4 138 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,0|2,0,0]=2 142 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,0|2,0,0]=2 143 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,0|2,0,0]=2 144 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,0|2,1,0]=3 145 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,0|2,1,0]=3 146 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,0|2,1,0]=3 147 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,0|2,1,0]=3 148 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,0|3,1,0]=4 153 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,0|3,1,0]=4 154 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,0|3,1,0]=4 155 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,0|3,1,0]=4 156 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,0|3,1,0]=4 160 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,0|3,1,0]=4 161 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,0|3,1,0]=4 162 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,0|3,1,0]=4 163 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,0,0|4,0,0]=4 165 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,0,0,0,0|3,0,1]=4 170 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,0,0,0,0|2,0,1]=3 171 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,0|2,1,1]=4 172 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,0,0,0,0|3,0,1]=4 174 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,0|3,1,0]=4 178 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,0,0,0,0,0|4,0,0]=4 181 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,0,0,0,0,0|4,0,0]=4 182 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,0,0,0,0,0|2,1,1]=4 183 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,0,0,0,0,0|2,0,2]=4 184 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,0,0,0,0,0|3,0,1]=4 185 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,0,0,0,0,0|2,0,1]=3 187 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,0,0,0,0,0|2,0,1]=3 188 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,0,0,0,0,0|2,0,1]=3 189 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,0,0,0,0,0|2,0,1]=3 190 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,0,0,0,0,0|2,0,1]=3 191 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,0,0,0,0,0|2,1,1]=4 192 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,0,0,0,0,0|2,1,1]=4 193 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,0,0,0,0,0|2,1,1]=4 194 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,0,0,0,0,0|2,1,1]=4 195 B11R1.172 CC(C)CNCc1cnco1 270004a_100000210953_100000064291 [0,0,0,0,0,0|3,0,1]=4 196 B11R1.172 CC(C)CNCc1cnco1 270004a_100020634212_100000210432 [0,0,0,0,0,0|3,0,1]=4 197 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,0,0,0,0,0|3,0,1]=4 198 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,0,0,0,0,0|3,0,1]=4 199 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,0,0,0,0,0|3,0,1]=4 200 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,0,0,0,0,0|3,0,1]=4 201 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,0,0,0,0,0|1,1,1]=3 202 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,0,0,0,0,0|1,2,1]=4 203 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,0,0,0,0,0|2,1,1]=4 204 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,0,0,0,0,0|2,1,1]=4 205 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,0,0,0,0,0|2,1,1]=4 206 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,0,0,0,0,0|3,0,1]=4 207 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,0,0,0,0,0|3,0,1]=4 208 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000210624_100000728653 [0,0,0,0,0,0|3,0,1]=4 209 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000728653_100000210760 [0,0,0,0,0,0|3,0,1]=4 210 B11R1.172 CC(C)CSCc1ccon1 62a_100000210624_100000234950 [0,0,0,0,0,0|3,0,1]=4 211 B11R1.172 CC(C)CSCc1ccon1 62a_100000234950_100000210760 [0,0,0,0,0,0|3,0,1]=4 212 B11R1.172 CC(C)CSCc1ccsc1 62a_100000210624_100011233845 [0,0,0,0,0,0|3,0,1]=4 213 B11R1.172 CC(C)CSCc1ccsc1 62a_100011261437_100000210760 [0,0,0,0,0,0|3,0,1]=4 214 B11R1.172 CC(C)CSCc1cncs1 62a_100000210624_100015185245 [0,0,0,0,0,0|2,1,1]=4 215 B11R1.172 CC(C)CSCc1cncs1 62a_100015185245_100000210760 [0,0,0,0,0,0|2,1,1]=4 216 B11R1.172 CC(C)CSCc1cscn1 62a_100000205941_100000210760 [0,0,0,0,0,0|3,0,1]=4 217 B11R1.172 CC(C)CSCc1cscn1 62a_100000210624_100000205941 [0,0,0,0,0,0|3,0,1]=4 218 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100000210624_100016991755 [0,0,0,0,0,0|3,0,1]=4 219 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100016991755_100000210760 [0,0,0,0,0,0|3,0,1]=4 220 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,0,0,0,0,0|2,0,1]=3 221 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,0,0,0,0,0|2,0,1]=3 222 B11R1.172 CC(C)CSCc1nccs1 62a_100000210624_100015184050 [0,0,0,0,0,0|2,1,1]=4 223 B11R1.172 CC(C)CSCc1nccs1 62a_100015184050_100000210760 [0,0,0,0,0,0|2,1,1]=4 224 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,0,0,0,0,0|3,0,1]=4 225 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,0,0,0,0,0|3,0,1]=4 226 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,0,0,0,0,0|2,1,1]=4 227 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,0,0,0,0|2,0,2]=4 228 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,0,0,0,0|2,0,2]=4 229 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,0,0,0,0|1,0,2]=3 230 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,0,0,0,0|1,0,2]=3 231 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,0,0,0,0|1,0,2]=3 232 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,0,0,0,0|1,0,2]=3 233 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,0,0,0,0,0|1,1,2]=4 234 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,0,0,0,0,0|1,1,2]=4 235 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,0,0,0,0,0|1,1,2]=4 236 B11R1.172 CC(O)CNCc1cnco1 270004a_100000210904_100000064291 [0,0,0,0,0,0|2,0,2]=4 237 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,0,0,0,0,0|2,0,2]=4 238 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,0,0,0,0,0|2,0,2]=4 239 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,0,0,0,0,0|2,0,2]=4 240 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,0,0,0,0,0|2,0,2]=4 241 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,0,0,0,0|0,1,2]=3 242 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,0,0,0,0,0|0,2,2]=4 243 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,0,0,0,0,0|1,1,2]=4 244 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,0,0,0,0,0|1,1,2]=4 245 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,0,0,0,0,0|2,0,2]=4 246 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,0,0,0,0,0|2,0,2]=4 247 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100000728653_100011218427 [0,0,0,0,0,0|2,0,2]=4 248 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100011218427_100000728653 [0,0,0,0,0,0|2,0,2]=4 249 B11R1.172 CC(O)CSCc1ccon1 62a_100000234950_100011218427 [0,0,0,0,0,0|2,0,2]=4 250 B11R1.172 CC(O)CSCc1ccon1 62a_100011218427_100000234950 [0,0,0,0,0,0|2,0,2]=4 251 B11R1.172 CC(O)CSCc1ccsc1 62a_100011218427_100011233845 [0,0,0,0,0,0|2,0,2]=4 252 B11R1.172 CC(O)CSCc1ccsc1 62a_100011261437_100011218427 [0,0,0,0,0,0|2,0,2]=4 253 B11R1.172 CC(O)CSCc1cncs1 62a_100011218427_100015185245 [0,0,0,0,0,0|1,1,2]=4 254 B11R1.172 CC(O)CSCc1cncs1 62a_100015185245_100011218427 [0,0,0,0,0,0|1,1,2]=4 255 B11R1.172 CC(O)CSCc1cscn1 62a_100000205941_100011218427 [0,0,0,0,0,0|2,0,2]=4 256 B11R1.172 CC(O)CSCc1cscn1 62a_100011218427_100000205941 [0,0,0,0,0,0|2,0,2]=4 257 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100011218427_100016991755 [0,0,0,0,0,0|2,0,2]=4 258 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100016991755_100011218427 [0,0,0,0,0,0|2,0,2]=4 259 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,0,0,0,0,0|1,0,2]=3 260 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,0,0,0,0,0|1,0,2]=3 261 B11R1.172 CC(O)CSCc1nccs1 62a_100011218427_100015184050 [0,0,0,0,0,0|1,1,2]=4 262 B11R1.172 CC(O)CSCc1nccs1 62a_100015184050_100011218427 [0,0,0,0,0,0|1,1,2]=4 263 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,0,0,0,0,0|3,0,1]=4 264 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,0,0,0,0,0|3,1,0]=4 265 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,0,0,0,0,0|3,1,0]=4 266 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,0,0,0,0,0|4,0,0]=4 267 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,0,0,0,0,0|2,1,1]=4 268 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,0,0,0,0,0|2,1,1]=4 269 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,0,0,0,0|1,0,2]=3 270 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,0,0,0,0|1,0,2]=3 271 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,0,0,0,0,0|1,1,2]=4 272 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,0,0,0,0,0|2,0,2]=4 273 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,0,0,0,0|0,1,2]=3 274 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,0,0,0,0,0|0,2,2]=4 275 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,0,0,0,0,0|1,1,2]=4 276 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,0,0,0,0,0|1,1,2]=4 277 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,0,0,0,0,0|2,0,2]=4 278 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,0,0,0,0,0|2,0,2]=4 279 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100000728653_100009817552 [0,0,0,0,0,0|2,0,2]=4 280 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100009817552_100000728653 [0,0,0,0,0,0|2,0,2]=4 281 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100000234950_100009817552 [0,0,0,0,0,0|2,0,2]=4 282 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100009817552_100000234950 [0,0,0,0,0,0|2,0,2]=4 283 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100009817552_100011233845 [0,0,0,0,0,0|2,0,2]=4 284 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100011261437_100009817552 [0,0,0,0,0,0|2,0,2]=4 285 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100009817552_100015185245 [0,0,0,0,0,0|1,1,2]=4 286 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100015185245_100009817552 [0,0,0,0,0,0|1,1,2]=4 287 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100000205941_100009817552 [0,0,0,0,0,0|2,0,2]=4 288 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100009817552_100000205941 [0,0,0,0,0,0|2,0,2]=4 289 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100009817552_100016991755 [0,0,0,0,0,0|2,0,2]=4 290 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100016991755_100009817552 [0,0,0,0,0,0|2,0,2]=4 291 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,0,0,0,0,0|1,0,2]=3 292 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,0,0,0,0,0|1,0,2]=3 293 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100009817552_100015184050 [0,0,0,0,0,0|1,1,2]=4 294 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100015184050_100009817552 [0,0,0,0,0,0|1,1,2]=4 295 B11R1.172 FC(F)CNCc1ccco1 207a_100000765723_100000186105 [0,0,0,0,0,0|3,0,1]=4 296 B11R1.172 FC(F)CNCc1ccco1 2230a_100000185738_100011934356 [0,0,0,0,0,0|3,0,1]=4 297 B11R1.172 FC(F)CNCc1ccco1 270004a_100000765723_100000186105 [0,0,0,0,0,0|3,0,1]=4 298 B11R1.172 FC(F)CNCc1ccco1 34a_100000185738_100011934356 [0,0,0,0,0,0|3,0,1]=4 299 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,0,0,0,0,0|2,1,1]=4 300 B11R1.172 FC(F)CSCc1ncco1 62a_100011934356_103436540062 [0,0,0,0,0,0|3,0,1]=4 301 B11R1.172 FC(F)CSCc1ncco1 62a_103436540062_100011934356 [0,0,0,0,0,0|3,0,1]=4 302 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,0|3,0,0]=3 303 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,0|3,0,0]=3 304 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,0,0|3,1,0]=4 305 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,0,0|3,1,0]=4 306 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,0,0,0,0,0|4,0,0]=4 307 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,0,0,0,0,0|4,0,0]=4 308 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,0,0,0,0,0|4,0,0]=4 309 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,0,0,0,0,0|4,0,0]=4 310 B11R1.172 NC(=O)CNCc1c[nH]cn1 2230a_100000711301_100000707719 [0,0,0,0,0,0|4,0,0]=4 311 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,0|2,0,0]=2 312 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,0|2,0,0]=2 313 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,0,0|2,1,0]=3 314 B11R1.172 NC(=O)CNCc1ccn[nH]1 2230a_100000711301_100000728653 [0,0,0,0,0,0|4,0,0]=4 315 B11R1.172 NC(=O)CNCc1ccoc1 2230a_100015206860_100000747473 [0,0,0,0,0,0|4,0,0]=4 316 B11R1.172 NC(=O)CNCc1ccoc1 34a_100015206860_100000187820 [0,0,0,0,0,0|4,0,0]=4 317 B11R1.172 NC(=O)CNCc1ccon1 2230a_100000711301_100000234950 [0,0,0,0,0,0|4,0,0]=4 318 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000186416_100000747473 [0,0,0,0,0,0|4,0,0]=4 319 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000711301_100011261437 [0,0,0,0,0,0|4,0,0]=4 320 B11R1.172 NC(=O)CNCc1ccsc1 34a_100000186416_100000187820 [0,0,0,0,0,0|4,0,0]=4 321 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [0,0,0,0,0,0|3,1,0]=4 322 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [0,0,0,0,0,0|3,1,0]=4 323 B11R1.172 NC(=O)CNCc1cscn1 2230a_100000711301_100000205941 [0,0,0,0,0,0|4,0,0]=4 324 B11R1.172 NC(=O)CNCc1cscn1 2230a_100015185402_100000747473 [0,0,0,0,0,0|4,0,0]=4 325 B11R1.172 NC(=O)CNCc1ncc[nH]1 2230a_100000711301_100016991755 [0,0,0,0,0,0|4,0,0]=4 326 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,0,0,0,0,0|3,0,0]=3 327 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,0,0,0,0,0|3,0,0]=3 328 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000711301_100015184050 [0,0,0,0,0,0|3,1,0]=4 329 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000740555_100000747473 [0,0,0,0,0,0|3,1,0]=4 330 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,0|1,1,0]=2 331 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,0,0|1,2,0]=3 332 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,0,0,0,0,0|2,1,0]=3 333 B11R1.172 NC(=O)COCc1ccoc1 34a_100011215357_100000187820 [0,0,0,0,0,0|3,1,0]=4 334 B11R1.172 NC(=O)COCc1ccsc1 34a_100011215551_100000187820 [0,0,0,0,0,0|3,1,0]=4 335 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,0,0,0,0,0|2,1,0]=3 336 B11R1.172 NC(=O)COCn1cccn1 34a_100000731028_100000187820 [0,0,0,0,0,0|3,1,0]=4 337 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,0,0,0,0,0|3,0,0]=3 338 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,0,0,0,0,0|3,0,0]=3 339 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747473 [0,0,0,0,0,0|3,0,0]=3 340 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000747473_100000728653 [0,0,0,0,0,0|3,0,0]=3 341 B11R1.172 NC(=O)CSCc1ccon1 62a_100000234950_100000747473 [0,0,0,0,0,0|3,0,0]=3 342 B11R1.172 NC(=O)CSCc1ccon1 62a_100000747473_100000234950 [0,0,0,0,0,0|3,0,0]=3 343 B11R1.172 NC(=O)CSCc1ccsc1 62a_100000747473_100011233845 [0,0,0,0,0,0|3,0,0]=3 344 B11R1.172 NC(=O)CSCc1ccsc1 62a_100011261437_100000747473 [0,0,0,0,0,0|3,0,0]=3 345 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [0,0,0,0,0,0|2,1,0]=3 346 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [0,0,0,0,0,0|2,1,0]=3 347 B11R1.172 NC(=O)CSCc1cscn1 62a_100000205941_100000747473 [0,0,0,0,0,0|3,0,0]=3 348 B11R1.172 NC(=O)CSCc1cscn1 62a_100000747473_100000205941 [0,0,0,0,0,0|3,0,0]=3 349 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100000747473_100016991755 [0,0,0,0,0,0|3,0,0]=3 350 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747473 [0,0,0,0,0,0|3,0,0]=3 351 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,0,0,0,0,0|2,0,0]=2 352 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,0,0,0,0,0|2,0,0]=2 353 B11R1.172 NC(=O)CSCc1nccs1 62a_100000747473_100015184050 [0,0,0,0,0,0|2,1,0]=3 354 B11R1.172 NC(=O)CSCc1nccs1 62a_100015184050_100000747473 [0,0,0,0,0,0|2,1,0]=3 355 B11R1.172 NC(=O)CSCc1ncon1 62a_100000233494_100000747473 [0,0,0,0,0,0|4,0,0]=4 356 B11R1.172 NC(=O)CSCc1ncon1 62a_100000747473_100000233494 [0,0,0,0,0,0|4,0,0]=4 357 B11R1.172 NC(=O)CSCn1cncn1 62a_100000747473_200020645497 [0,0,0,0,0,0|4,0,0]=4 358 B11R1.172 NC(=O)CSCn1cncn1 62a_200020645497_100000747473 [0,0,0,0,0,0|4,0,0]=4 359 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,0,0|4,0,0]=4 360 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [0,0,0,0,0,0|4,0,0]=4 361 B11R1.172 O=C(O)CNCc1ccon1 269956a_100016091260_100000234950 [0,0,0,0,0,0|4,0,0]=4 362 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [0,0,0,0,0,0|4,0,0]=4 363 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [0,0,0,0,0,0|3,1,0]=4 364 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,0,0|4,0,0]=4 365 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [0,0,0,0,0,0|4,0,0]=4 366 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,0,0|3,0,0]=3 367 B11R1.172 O=C(O)CNCc1nccs1 269956a_100016091260_100015184050 [0,0,0,0,0,0|3,1,0]=4 368 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,0|2,0,0]=2 369 B11R1.172 O=C([O-])CNCc1ccoc1 34a_100015206860_100020667443 [0,0,0,0,0,0|4,0,0]=4 370 B11R1.172 O=C([O-])CNCc1ccsc1 34a_100000186416_100020667443 [0,0,0,0,0,0|4,0,0]=4 371 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,0|1,1,0]=2 372 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,0,0|1,2,0]=3 373 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,0,0,0,0,0|2,1,0]=3 374 B11R1.172 O=C([O-])COCc1ccoc1 34a_100011215357_100020667443 [0,0,0,0,0,0|3,1,0]=4 375 B11R1.172 O=C([O-])COCc1ccsc1 34a_100011215551_100020667443 [0,0,0,0,0,0|3,1,0]=4 376 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,0,0,0,0,0|2,1,0]=3 377 B11R1.172 O=C([O-])COCn1cccn1 34a_100000731028_100020667443 [0,0,0,0,0,0|3,1,0]=4 378 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,0,0,0,0,0|3,0,0]=3 379 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,0,0,0,0,0|3,0,0]=3 380 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100000728653_100020667443 [0,0,0,0,0,0|3,0,0]=3 381 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100020667443_100000728653 [0,0,0,0,0,0|3,0,0]=3 382 B11R1.172 O=C([O-])CSCc1ccon1 62a_100000234950_100020667443 [0,0,0,0,0,0|3,0,0]=3 383 B11R1.172 O=C([O-])CSCc1ccon1 62a_100020667443_100000234950 [0,0,0,0,0,0|3,0,0]=3 384 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100011261437_100020667443 [0,0,0,0,0,0|3,0,0]=3 385 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100020667443_100011233845 [0,0,0,0,0,0|3,0,0]=3 386 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [0,0,0,0,0,0|2,1,0]=3 387 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [0,0,0,0,0,0|2,1,0]=3 388 B11R1.172 O=C([O-])CSCc1cscn1 62a_100000205941_100020667443 [0,0,0,0,0,0|3,0,0]=3 389 B11R1.172 O=C([O-])CSCc1cscn1 62a_100020667443_100000205941 [0,0,0,0,0,0|3,0,0]=3 390 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100016991755_100020667443 [0,0,0,0,0,0|3,0,0]=3 391 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100020667443_100016991755 [0,0,0,0,0,0|3,0,0]=3 392 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,0,0,0,0,0|2,0,0]=2 393 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,0,0,0,0,0|2,0,0]=2 394 B11R1.172 O=C([O-])CSCc1nccs1 62a_100015184050_100020667443 [0,0,0,0,0,0|2,1,0]=3 395 B11R1.172 O=C([O-])CSCc1nccs1 62a_100020667443_100015184050 [0,0,0,0,0,0|2,1,0]=3 396 B11R1.172 O=C([O-])CSCc1ncon1 62a_100000233494_100020667443 [0,0,0,0,0,0|4,0,0]=4 397 B11R1.172 O=C([O-])CSCc1ncon1 62a_100020667443_100000233494 [0,0,0,0,0,0|4,0,0]=4 398 B11R1.172 O=C([O-])CSCn1cncn1 62a_100020667443_200020645497 [0,0,0,0,0,0|4,0,0]=4 399 B11R1.172 O=C([O-])CSCn1cncn1 62a_200020645497_100020667443 [0,0,0,0,0,0|4,0,0]=4 400 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,0,0,0,0,0|3,0,0]=3 401 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,0,0,0,0,0|2,1,0]=3 402 B11R1.172 O=[N+]([O-])COCc1cccs1 34a_100000211240_100000761209 [0,0,0,0,0,0|2,2,0]=4 403 B11R1.172 O=[N+]([O-])COCc1ccno1 34a_100000740478_100000761209 [0,0,0,0,0,0|3,1,0]=4 404 B11R1.172 O=[N+]([O-])COCc1ncco1 34a_100000062594_100000761209 [0,0,0,0,0,0|3,1,0]=4 405 B11R1.172 O=[N+]([O-])CSCc1c[nH]cn1 62a_100000707719_100000761209 [0,0,0,0,0,0|4,0,0]=4 406 B11R1.172 O=[N+]([O-])CSCc1ccn[nH]1 62a_100000728653_100000761209 [0,0,0,0,0,0|4,0,0]=4 407 B11R1.172 O=[N+]([O-])CSCc1ccon1 62a_100000234950_100000761209 [0,0,0,0,0,0|4,0,0]=4 408 B11R1.172 O=[N+]([O-])CSCc1ccsc1 62a_100011261437_100000761209 [0,0,0,0,0,0|4,0,0]=4 409 B11R1.172 O=[N+]([O-])CSCc1cncs1 62a_100015185245_100000761209 [0,0,0,0,0,0|3,1,0]=4 410 B11R1.172 O=[N+]([O-])CSCc1cscn1 62a_100000205941_100000761209 [0,0,0,0,0,0|4,0,0]=4 411 B11R1.172 O=[N+]([O-])CSCc1ncc[nH]1 62a_100016991755_100000761209 [0,0,0,0,0,0|4,0,0]=4 412 B11R1.172 O=[N+]([O-])CSCc1ncco1 62a_103436540062_100000761209 [0,0,0,0,0,0|3,0,0]=3 413 B11R1.172 O=[N+]([O-])CSCc1nccs1 62a_100015184050_100000761209 [0,0,0,0,0,0|3,1,0]=4 414 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,0|1,1,0]=2 415 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,0,0|3,0,0]=3 416 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,0|3,0,0]=3 417 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [0,0,0,0,0,0|4,0,0]=4 418 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [0,0,0,0,0,0|4,0,0]=4 419 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,0,0,0|0,0,4]=4 420 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [1,0,0,0,0,0|1,0,2]=4 421 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [1,0,0,0,0,0|1,0,2]=4 422 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [1,0,0,0,0,0|0,1,2]=4 423 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [1,0,0,0,0,0|1,0,2]=4 424 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,0,0,0,0,0|2,0,1]=4 425 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,0,0,0,0,0|2,0,1]=4 426 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [1,0,0,0,0,0|2,0,1]=4 427 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [1,0,0,0,0,0|2,0,1]=4 428 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [1,0,0,0,0,0|1,0,1]=3 429 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [1,0,0,0,0,0|1,0,1]=3 430 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [1,0,0,0,0,0|1,0,1]=3 431 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [1,0,0,0,0,0|1,1,1]=4 432 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [1,0,0,0,0,0|1,1,1]=4 433 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [1,0,0,0,0,0|2,0,1]=4 434 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [1,0,0,0,0,0|2,0,1]=4 435 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [1,0,0,0,0,0|2,0,1]=4 436 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [1,0,0,0,0,0|2,0,1]=4 437 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [1,0,0,0,0,0|0,1,1]=3 438 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [1,0,0,0,0,0|0,2,1]=4 439 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [1,0,0,0,0,0|1,1,1]=4 440 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [1,0,0,0,0,0|1,1,1]=4 441 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [1,0,0,0,0,0|1,1,1]=4 442 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000210623_100000707719 [1,0,0,0,0,0|2,0,1]=4 443 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000707719_100000210623 [1,0,0,0,0,0|2,0,1]=4 444 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000210623_100000728653 [1,0,0,0,0,0|2,0,1]=4 445 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000728653_100000210623 [1,0,0,0,0,0|2,0,1]=4 446 B10R1.21 C=CCSCc1ccon1 62a_100000210623_100000234950 [1,0,0,0,0,0|2,0,1]=4 447 B10R1.21 C=CCSCc1ccon1 62a_100000234950_100000210623 [1,0,0,0,0,0|2,0,1]=4 448 B10R1.21 C=CCSCc1ccsc1 62a_100000210623_100011233845 [1,0,0,0,0,0|2,0,1]=4 449 B10R1.21 C=CCSCc1ccsc1 62a_100011261437_100000210623 [1,0,0,0,0,0|2,0,1]=4 450 B10R1.21 C=CCSCc1cncs1 62a_100000210623_100015185245 [1,0,0,0,0,0|1,1,1]=4 451 B10R1.21 C=CCSCc1cncs1 62a_100015185245_100000210623 [1,0,0,0,0,0|1,1,1]=4 452 B10R1.21 C=CCSCc1cscn1 62a_100000205941_100000210623 [1,0,0,0,0,0|2,0,1]=4 453 B10R1.21 C=CCSCc1cscn1 62a_100000210623_100000205941 [1,0,0,0,0,0|2,0,1]=4 454 B10R1.21 C=CCSCc1ncc[nH]1 62a_100000210623_100016991755 [1,0,0,0,0,0|2,0,1]=4 455 B10R1.21 C=CCSCc1ncc[nH]1 62a_100016991755_100000210623 [1,0,0,0,0,0|2,0,1]=4 456 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [1,0,0,0,0,0|1,0,1]=3 457 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [1,0,0,0,0,0|1,0,1]=3 458 B10R1.21 C=CCSCc1nccs1 62a_100000210623_100015184050 [1,0,0,0,0,0|1,1,1]=4 459 B10R1.21 C=CCSCc1nccs1 62a_100015184050_100000210623 [1,0,0,0,0,0|1,1,1]=4 460 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,0,0,0,0,0|2,0,1]=4 461 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,0,0,0,0,0|2,0,1]=4 462 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,0,0,0,0,0|1,0,2]=4 463 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,0,0,0|2,0,1]=4 464 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,0,0,0|2,0,1]=4 465 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,0,0,0|1,0,1]=3 466 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,0,0,0|1,0,1]=3 467 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,0,0,0|1,0,1]=3 468 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,0,0,0|1,0,1]=3 469 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,0,0,0,0,0|1,1,1]=4 470 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,0,0,0,0,0|1,1,1]=4 471 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,0,0,0,0,0|1,1,1]=4 472 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [1,0,0,0,0,0|2,0,1]=4 473 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,0,0,0,0,0|2,0,1]=4 474 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,0,0,0,0,0|2,0,1]=4 475 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,0,0,0|0,1,1]=3 476 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,0,0,0|0,2,1]=4 477 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,0,0,0,0,0|1,1,1]=4 478 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,0,0,0,0,0|1,1,1]=4 479 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,0,0,0,0,0|1,1,1]=4 480 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [1,0,0,0,0,0|2,0,1]=4 481 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [1,0,0,0,0,0|2,0,1]=4 482 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [1,0,0,0,0,0|2,0,1]=4 483 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [1,0,0,0,0,0|2,0,1]=4 484 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [1,0,0,0,0,0|2,0,1]=4 485 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [1,0,0,0,0,0|2,0,1]=4 486 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [1,0,0,0,0,0|2,0,1]=4 487 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [1,0,0,0,0,0|2,0,1]=4 488 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [1,0,0,0,0,0|1,1,1]=4 489 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [1,0,0,0,0,0|1,1,1]=4 490 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [1,0,0,0,0,0|2,0,1]=4 491 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [1,0,0,0,0,0|2,0,1]=4 492 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [1,0,0,0,0,0|2,0,1]=4 493 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [1,0,0,0,0,0|2,0,1]=4 494 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,0,0,0,0,0|1,0,1]=3 495 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,0,0,0,0,0|1,0,1]=3 496 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [1,0,0,0,0,0|1,1,1]=4 497 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [1,0,0,0,0,0|1,1,1]=4 498 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,0,0,0|2,0,1]=4 499 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,0,0,0|2,0,1]=4 500 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,0,0,0,0,0|2,0,1]=4 501 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,0,0,0,0,0|2,1,0]=4 502 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,0,0,0,0,0|2,1,0]=4 503 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,0,0,0,0,0|2,1,0]=4 504 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,0,0,0,0,0|2,0,1]=4 505 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,0,0,0,0,0|2,1,0]=4 506 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,0,0,0,0,0|2,1,0]=4 507 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,0,0,0,0,0|2,1,0]=4 508 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,0,0,0,0,0|3,0,0]=4 509 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,0,0,0,0,0|3,0,0]=4 510 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,0,0,0,0,0|2,0,0]=3 511 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [1,0,0,0,0,0|2,1,0]=4 512 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [1,0,0,0,0,0|3,0,0]=4 513 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [1,0,0,0,0,0|3,0,0]=4 514 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [1,0,0,0,0,0|3,0,0]=4 515 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [1,0,0,0,0,0|3,0,0]=4 516 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [1,0,0,0,0,0|3,0,0]=4 517 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [1,0,0,0,0,0|3,0,0]=4 518 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [1,0,0,0,0,0|3,0,0]=4 519 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [1,0,0,0,0,0|3,0,0]=4 520 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [1,0,0,0,0,0|3,0,0]=4 521 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [1,0,0,0,0,0|2,1,0]=4 522 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [1,0,0,0,0,0|2,1,0]=4 523 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [1,0,0,0,0,0|3,0,0]=4 524 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [1,0,0,0,0,0|2,0,0]=3 528 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [1,0,0,0,0,0|2,0,0]=3 529 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [1,0,0,0,0,0|2,1,0]=4 530 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [1,0,0,0,0,0|2,1,0]=4 531 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,0,0,0,0,0|2,1,0]=4 532 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,0,0,0,0,0|2,1,0]=4 533 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,0,0,0,0,0|3,0,0]=4 534 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,0,0,0,0,0|3,0,0]=4 535 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,0,0,0,0,0|2,0,0]=3 536 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,0,0,0,0,0|2,0,0]=3 537 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [1,0,0,0,0,0|2,1,0]=4 538 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,0,0,0,0,0|1,1,0]=3 540 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [1,0,0,0,0,0|1,2,0]=4 541 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [1,0,0,0,0,0|2,1,0]=4 542 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [1,0,0,0,0,0|2,1,0]=4 543 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [1,0,0,0,0,0|3,0,0]=4 545 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [1,0,0,0,0,0|3,0,0]=4 546 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [1,0,0,0,0,0|3,0,0]=4 549 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [1,0,0,0,0,0|3,0,0]=4 550 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [1,0,0,0,0,0|3,0,0]=4 551 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [1,0,0,0,0,0|2,1,0]=4 552 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [1,0,0,0,0,0|2,1,0]=4 553 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [1,0,0,0,0,0|3,0,0]=4 554 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [1,0,0,0,0,0|3,0,0]=4 555 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [1,0,0,0,0,0|3,0,0]=4 556 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [1,0,0,0,0,0|3,0,0]=4 557 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [1,0,0,0,0,0|2,0,0]=3 558 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [1,0,0,0,0,0|2,0,0]=3 559 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [1,0,0,0,0,0|2,1,0]=4 560 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [1,0,0,0,0,0|2,1,0]=4 561 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,0,0,0,0,0|2,0,1]=4 562 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,0,0,0,0,0|2,0,1]=4 563 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,0,0,0,0,0|1,1,1]=4 564 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [1,0,0,0,0,0|2,0,1]=4 565 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [1,0,0,0,0,0|2,0,1]=4 566 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [1,0,0,0,0,0|2,0,1]=4 567 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [1,0,0,0,0,0|2,0,1]=4 568 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [1,0,0,0,0,0|2,0,1]=4 569 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,0,0,0,0,0|1,0,0]=2 570 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,0,0,0,0,0|1,0,0]=2 571 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,0,0,0,0,0|1,1,0]=3 572 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [1,0,0,0,0,0|3,0,0]=4 573 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [1,0,0,0,0,0|3,0,0]=4 574 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [1,0,0,0,0,0|3,0,0]=4 575 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [1,0,0,0,0,0|3,0,0]=4 576 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [1,0,0,0,0,0|2,1,0]=4 577 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [1,0,0,0,0,0|3,0,0]=4 578 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [1,0,0,0,0,0|2,0,0]=3 579 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [1,0,0,0,0,0|2,1,0]=4 580 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,0,0,0,0,0|0,1,0]=2 581 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,0,0,0,0,0|0,2,0]=3 582 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [1,0,0,0,0,0|1,1,0]=3 583 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,0,0,0,0,0|2,1,0]=4 584 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,0,0,0,0,0|2,1,0]=4 585 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [1,0,0,0,0,0|1,1,0]=3 586 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [1,0,0,0,0,0|2,1,0]=4 587 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [1,0,0,0,0,0|2,0,0]=3 588 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [1,0,0,0,0,0|2,0,0]=3 589 B10R1.21 O=CCSCc1ccn[nH]1 62a_100000728653_200015260668 [1,0,0,0,0,0|2,0,0]=3 590 B10R1.21 O=CCSCc1ccn[nH]1 62a_200015260668_100000728653 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.21 O=CCSCc1ccon1 62a_100000234950_200015260668 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.21 O=CCSCc1ccon1 62a_200015260668_100000234950 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [1,0,0,0,0,0|1,1,0]=3 596 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [1,0,0,0,0,0|1,1,0]=3 597 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [1,0,0,0,0,0|2,0,0]=3 599 B10R1.21 O=CCSCc1ncc[nH]1 62a_100016991755_200015260668 [1,0,0,0,0,0|2,0,0]=3 600 B10R1.21 O=CCSCc1ncc[nH]1 62a_200015260668_100016991755 [1,0,0,0,0,0|2,0,0]=3 601 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [1,0,0,0,0,0|1,0,0]=2 602 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [1,0,0,0,0,0|1,0,0]=2 603 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [1,0,0,0,0,0|1,1,0]=3 604 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [1,0,0,0,0,0|1,1,0]=3 605 B10R1.21 O=CCSCc1ncon1 62a_100000233494_200015260668 [1,0,0,0,0,0|3,0,0]=4 606 B10R1.21 O=CCSCc1ncon1 62a_200015260668_100000233494 [1,0,0,0,0,0|3,0,0]=4 607 B10R1.21 O=CCSCn1cncn1 62a_200015260668_200020645497 [1,0,0,0,0,0|3,0,0]=4 608 B10R1.21 O=CCSCn1cncn1 62a_200020645497_200015260668 [1,0,0,0,0,0|3,0,0]=4 609 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,0,0,0,0,0|1,0,2]=4 610 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,0,0,0,0,0|1,0,2]=4 611 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,0,0,0,0,0|1,0,2]=4 612 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,0,0,0,0,0|1,0,2]=4 613 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,0,0,0,0,0|0,1,2]=4 614 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [1,0,0,0,0,0|1,0,2]=4 615 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [1,0,0,0,0,0|1,0,2]=4 616 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,0,0,0,0,0|2,1,0]=4 617 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,0,0,0,0,0|2,1,0]=4 618 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,0,0,0,0,0|2,1,0]=4 619 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,0,0,0,0,0|2,1,0]=4 620 B12R1.54 C=C(C)CNC(C)c1cccs1 2230a_100000703493_100000748629 [0,1,0,0,0,0|2,1,0]=4 621 B12R1.54 C=C(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748629 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748629 [0,1,0,0,0,0|1,1,0]=3 623 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748629 [0,1,0,0,0,0|1,1,0]=3 624 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 7a_100000750433_100000748629 [0,1,0,0,0,0|1,2,0]=4 625 B12R1.54 C=C(F)CN[C@H](C)c1ccco1 2230a_100160469435_100009893438 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.54 C=C(F)CO[C@@H](C)c1ccco1 34a_100000755270_100009893438 [0,1,0,0,0,0|1,1,1]=4 627 B12R1.54 C=C(F)CO[C@@H](C)c1ccco1 7a_100000755270_100000042424 [0,1,0,0,0,0|1,1,1]=4 628 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,1,0,0,0,0|1,1,1]=4 629 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,1,0,0,0,0|1,0,1]=3 630 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,1,0,0,0,0|1,1,1]=4 631 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.54 CC(=O)NN=C(C)c1ccco1 4a_100000189765_100000210965 [0,1,0,0,0,0|2,0,1]=4 633 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,1,0,0,0,0|2,0,1]=4 634 B12R1.54 CC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000210760 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.54 CC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000210432 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,1,0,0,0,0|1,1,1]=4 637 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,1,0,0,0,0|1,1,1]=4 638 B12R1.54 CC(NCC(=O)N)c1cccs1 2230a_100000703493_100000747473 [0,1,0,0,0,0|2,1,0]=4 639 B12R1.54 CC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218427 [0,1,0,0,0,0|1,0,2]=4 640 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,1,0,0,0,0|0,1,2]=4 641 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,1,0,0,0,0|0,1,2]=4 642 B12R1.54 C[C@@H](NCC(=O)N)c1ccco1 2230a_100160469435_100000747473 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.54 C[C@@H](O)CN[C@H](C)c1ccco1 2230a_100160469435_100009817552 [0,1,0,0,0,0|1,0,2]=4 644 B12R1.54 C[C@@H](OCC(=O)N)c1cccs1 7a_100000750433_100000187820 [0,1,0,0,0,0|1,2,0]=4 645 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 34a_100000755270_100000187820 [0,1,0,0,0,0|1,1,0]=3 646 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 7a_100000755270_100000187820 [0,1,0,0,0,0|1,1,0]=3 647 B12R1.54 C[C@H](OCC(=O)[O-])c1ccco1 34a_100000755270_100020667443 [0,1,0,0,0,0|1,1,0]=3 648 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,1,0,0,0,0|0,1,2]=4 649 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,1,0,0,0,0|0,1,2]=4 650 B12R1.54 C[C@H](OC[N+](=O)[O-])c1ccco1 34a_100000755270_100000761209 [0,1,0,0,0,0|2,1,0]=4 651 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,1,0,0,0,0|1,0,1]=3 652 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,1,0,0,0,0|1,1,1]=4 653 B12R1.105 C=C(C)CNCc1cc(cs1)Br 2230a_100000741024_100000748629 [0,1,0,0,0,0|2,1,0]=4 654 B12R1.105 C=C(C)CNCc1cc(cs1)Br 34a_100000741024_100000748629 [0,1,0,0,0,0|2,1,0]=4 655 B12R1.105 C=C(C)CNCc1cc(cs1)C 2230a_100015204214_100000748629 [0,1,0,0,0,0|2,1,0]=4 656 B12R1.105 C=C(C)CNCc1cc(cs1)C 34a_100015204214_100000748629 [0,1,0,0,0,0|2,1,0]=4 657 B12R1.105 C=C(C)CNCc1cc(no1)Br 2230a_100015193020_100000748629 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.105 C=C(C)CNCc1cc(no1)Br 34a_100015193020_100000748629 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.105 C=C(C)CNCc1cc(no1)C 2230a_100000745748_100000748629 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.105 C=C(C)CNCc1cc(no1)C 34a_100000745748_100000748629 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.105 C=C(C)CNCc1ccc(o1)Br 34a_100000708654_100000748629 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.105 C=C(C)CNCc1ccc(o1)C 34a_100011194323_100000748629 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.105 C=C(C)CNCc1ccc(s1)C 2230a_100000238518_100000748629 [0,1,0,0,0,0|2,1,0]=4 664 B12R1.105 C=C(C)CNCc1ccc(s1)Cl 2230a_100000737310_100000748629 [0,1,0,0,0,0|2,1,0]=4 665 B12R1.105 C=C(C)CNCc1ncc(o1)C 2230a_100138411809_100000748629 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.105 C=C(C)CNCc1ncc(o1)C 34a_100138411809_100000748629 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000210245_100000746031 [0,1,0,0,0,0|1,2,0]=4 668 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000238369_100000748629 [0,1,0,0,0,0|1,2,0]=4 669 B12R1.105 C=C(C)COCc1cc(cs1)Br 7a_100000238369_100000748629 [0,1,0,0,0,0|1,2,0]=4 670 B12R1.105 C=C(C)COCc1cc(cs1)C 34a_200000068372_100000748629 [0,1,0,0,0,0|1,2,0]=4 671 B12R1.105 C=C(C)COCc1cc(cs1)C 7a_200000068372_100000748629 [0,1,0,0,0,0|1,2,0]=4 672 B12R1.105 C=C(C)COCc1cc(no1)Br 34a_100009816691_100000748629 [0,1,0,0,0,0|2,1,0]=4 673 B12R1.105 C=C(C)COCc1cc(no1)C 34a_100000210245_100000707947 [0,1,0,0,0,0|2,1,0]=4 674 B12R1.105 C=C(C)COCc1cc(no1)C 34a_100000684692_100000748629 [0,1,0,0,0,0|2,1,0]=4 675 B12R1.105 C=C(C)COCc1ccc(o1)Br 34a_100000246276_100000748629 [0,1,0,0,0,0|1,1,0]=3 676 B12R1.105 C=C(C)COCc1ccc(o1)Br 7a_100000246276_100000748629 [0,1,0,0,0,0|1,1,0]=3 677 B12R1.105 C=C(C)COCc1ccc(o1)C 34a_100011232665_100000748629 [0,1,0,0,0,0|1,1,0]=3 678 B12R1.105 C=C(C)COCc1ccc(o1)C 7a_100011232665_100000748629 [0,1,0,0,0,0|1,1,0]=3 679 B12R1.105 C=C(C)COCc1ccc(s1)Br 34a_100000210245_100000708592 [0,1,0,0,0,0|1,2,0]=4 680 B12R1.105 C=C(C)COCc1ccc(s1)C 34a_100000238367_100000748629 [0,1,0,0,0,0|1,2,0]=4 681 B12R1.105 C=C(C)COCc1ccc(s1)Cl 34a_100000210245_100000185097 [0,1,0,0,0,0|1,2,0]=4 682 B12R1.105 C=C(C)CSCC1=CC(=O)OC1 62a_100000716558_100000211660 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.105 C=C(C)CSCC1=CC(=O)OC1 62a_100000748629_100000716558 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.105 C=C(C)CSCc1cc(cs1)Br 62a_100000746031_100000211660 [0,1,0,0,0,0|1,1,0]=3 685 B12R1.105 C=C(C)CSCc1cc(cs1)Br 62a_100000748629_100000746031 [0,1,0,0,0,0|1,1,0]=3 686 B12R1.105 C=C(C)CSCc1cc(no1)Br 62a_100000709089_100000211660 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.105 C=C(C)CSCc1cc(no1)Br 62a_100000748629_100000709089 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.105 C=C(C)CSCc1cc(no1)C 62a_100000707947_100000211660 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.105 C=C(C)CSCc1cc(no1)C 62a_100000748629_100000707947 [0,1,0,0,0,0|2,0,0]=3 690 B12R1.105 C=C(C)CSCc1cc(on1)C 62a_100000199038_100000211660 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.105 C=C(C)CSCc1cc(on1)C 62a_100000748629_100000199038 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.105 C=C(C)CSCc1ccc(s1)Br 62a_100000708592_100000211660 [0,1,0,0,0,0|1,1,0]=3 693 B12R1.105 C=C(C)CSCc1ccc(s1)Br 62a_100000748629_100000708592 [0,1,0,0,0,0|1,1,0]=3 694 B12R1.105 C=C(C)CSCc1ccc(s1)Cl 62a_100000185097_100000211660 [0,1,0,0,0,0|1,1,0]=3 695 B12R1.105 C=C(C)CSCc1ccc(s1)Cl 62a_100000748629_100000185097 [0,1,0,0,0,0|1,1,0]=3 696 B12R1.105 C=C(C)CSCc1ccn(n1)C 62a_100000726502_100000211660 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.105 C=C(C)CSCc1ccn(n1)C 62a_100000748629_100000726502 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000717665_100000211660 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000748629_100000717665 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.105 C=C(C)CSCc1cnc(s1)Br 62a_100000717027_100000211660 [0,1,0,0,0,0|2,1,0]=4 701 B12R1.105 C=C(C)CSCc1cnc(s1)Br 62a_100000748629_100000717027 [0,1,0,0,0,0|2,1,0]=4 702 B12R1.105 C=C(C)CSCc1cnc(s1)C 62a_100000748629_100020635045 [0,1,0,0,0,0|2,1,0]=4 703 B12R1.105 C=C(C)CSCc1cnc(s1)C 62a_100020635045_100000211660 [0,1,0,0,0,0|2,1,0]=4 704 B12R1.105 C=C(C)CSCc1cnc(s1)Cl 62a_100000058068_100000211660 [0,1,0,0,0,0|2,1,0]=4 705 B12R1.105 C=C(C)CSCc1cnc(s1)Cl 62a_100000748629_100000058068 [0,1,0,0,0,0|2,1,0]=4 706 B12R1.105 C=C(C)CSCc1csc(n1)C 62a_100000748629_100015186478 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.105 C=C(C)CSCc1csc(n1)C 62a_100015186478_100000211660 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.105 C=C(C)CSCc1csc(n1)Cl 62a_100000024076_100000211660 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.105 C=C(C)CSCc1csc(n1)Cl 62a_100000748629_100000024076 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.105 C=C(C)CSCc1nc(no1)C 62a_100000735555_100000211660 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.105 C=C(C)CSCc1nc(no1)C 62a_100000748629_100000735555 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.105 C=C(C)CSCc1nnc(o1)C 62a_100000181450_100000211660 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.105 C=C(C)CSCc1nnc(o1)C 62a_100000748629_100000181450 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.105 C=C(F)CNCc1ccc(o1)Br 34a_100000708654_100009893438 [0,1,0,0,0,0|2,0,1]=4 715 B12R1.105 C=C(F)CNCc1ccc(o1)C 34a_100011194323_100009893438 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.105 C=C(F)COCc1ccc(o1)Br 34a_100000246276_100009893438 [0,1,0,0,0,0|1,1,1]=4 717 B12R1.105 C=C(F)COCc1ccc(o1)Br 7a_100000246276_100000042424 [0,1,0,0,0,0|1,1,1]=4 718 B12R1.105 C=C(F)COCc1ccc(o1)C 34a_100011232665_100009893438 [0,1,0,0,0,0|1,1,1]=4 719 B12R1.105 C=C(F)COCc1ccc(o1)C 7a_100011232665_100000042424 [0,1,0,0,0,0|1,1,1]=4 720 B12R1.105 C=C(F)CSCc1cc(cs1)Br 62a_100000042424_100000746031 [0,1,0,0,0,0|1,1,1]=4 721 B12R1.105 C=C(F)CSCc1cc(cs1)Br 62a_100000746031_100000042424 [0,1,0,0,0,0|1,1,1]=4 722 B12R1.105 C=C(F)CSCc1cc(no1)Br 62a_100000042424_100000709089 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.105 C=C(F)CSCc1cc(no1)Br 62a_100000709089_100000042424 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.105 C=C(F)CSCc1cc(no1)C 62a_100000042424_100000707947 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.105 C=C(F)CSCc1cc(no1)C 62a_100000707947_100000042424 [0,1,0,0,0,0|2,0,1]=4 726 B12R1.105 C=C(F)CSCc1ccc(s1)Br 62a_100000042424_100000708592 [0,1,0,0,0,0|1,1,1]=4 727 B12R1.105 C=C(F)CSCc1ccc(s1)Br 62a_100000708592_100000042424 [0,1,0,0,0,0|1,1,1]=4 728 B12R1.105 C=C(F)CSCc1ccc(s1)Cl 62a_100000042424_100000185097 [0,1,0,0,0,0|1,1,1]=4 729 B12R1.105 C=C(F)CSCc1ccc(s1)Cl 62a_100000185097_100000042424 [0,1,0,0,0,0|1,1,1]=4 730 B12R1.105 CC(=O)CCCn1cc(cn1)C 1458a_100000070787_200015186932 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100000053229_100009876951 [0,1,0,0,0,0|2,1,0]=4 732 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100009876951_100000053229 [0,1,0,0,0,0|2,1,0]=4 733 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100000053229_100010197418 [0,1,0,0,0,0|2,1,0]=4 734 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000053229 [0,1,0,0,0,0|2,1,0]=4 735 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000031368_100000053229 [0,1,0,0,0,0|2,1,0]=4 736 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000053229_100000031368 [0,1,0,0,0,0|2,1,0]=4 737 B12R1.105 CC(=O)COCC1=CC(=O)OC1 34a_100000211253_100000716558 [0,1,0,0,0,0|2,1,0]=4 738 B12R1.105 CC(=O)COCc1cc(cs1)Br 34a_100000211253_100000746031 [0,1,0,0,0,0|0,2,0]=3 739 B12R1.105 CC(=O)COCc1cc(no1)C 34a_100000211253_100000707947 [0,1,0,0,0,0|1,1,0]=3 740 B12R1.105 CC(=O)COCc1cc(on1)C 34a_100000211253_100000199038 [0,1,0,0,0,0|2,1,0]=4 741 B12R1.105 CC(=O)COCc1ccc(s1)Br 34a_100000211253_100000708592 [0,1,0,0,0,0|0,2,0]=3 742 B12R1.105 CC(=O)COCc1ccc(s1)Cl 34a_100000211253_100000185097 [0,1,0,0,0,0|0,2,0]=3 743 B12R1.105 CC(=O)COCc1ccn(n1)C 34a_100000211253_100000726502 [0,1,0,0,0,0|2,1,0]=4 744 B12R1.105 CC(=O)COCc1cn(cn1)C 34a_100000211253_100000717665 [0,1,0,0,0,0|2,1,0]=4 745 B12R1.105 CC(=O)COCc1cnc(s1)Br 34a_100000211253_100000717027 [0,1,0,0,0,0|1,2,0]=4 746 B12R1.105 CC(=O)COCc1cnc(s1)C 34a_100000211253_100020635045 [0,1,0,0,0,0|1,2,0]=4 747 B12R1.105 CC(=O)COCc1cnc(s1)Cl 34a_100000211253_100000058068 [0,1,0,0,0,0|1,2,0]=4 748 B12R1.105 CC(=O)COCc1csc(n1)C 34a_100000211253_100015186478 [0,1,0,0,0,0|2,1,0]=4 749 B12R1.105 CC(=O)COCc1csc(n1)Cl 34a_100000211253_100000024076 [0,1,0,0,0,0|2,1,0]=4 750 B12R1.105 CC(=O)COCc1nc(no1)C 34a_100000211253_100000735555 [0,1,0,0,0,0|2,1,0]=4 751 B12R1.105 CC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200000210301 [0,1,0,0,0,0|0,1,0]=2 752 B12R1.105 CC(=O)CSCc1csc(n1)C 1458a_100000150240_200000210301 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.105 CC(=O)NCCc1ccc(s1)Br 11a_100000217605_100015343762 [0,1,0,0,0,0|2,1,0]=4 757 B12R1.105 CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100015343762 [0,1,0,0,0,0|2,1,0]=4 758 B12R1.105 CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100015343762 [0,1,0,0,0,0|2,1,0]=4 759 B12R1.105 CC(=O)NCCc1ccc(s1)Br 527a_100000217605_100103153847 [0,1,0,0,0,0|2,1,0]=4 760 B12R1.105 CC(=O)NN=Cc1cc(co1)Br 4a_100000189765_100000747035 [0,1,0,0,0,0|2,0,1]=4 761 B12R1.105 CC(=O)NN=Cc1ccc(o1)Br 4a_100000189765_100000185145 [0,1,0,0,0,0|2,0,1]=4 762 B12R1.105 CC(=O)NN=Cc1ccc(o1)C 4a_100000189765_100000183696 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.105 CC(=O)NN=Cc1ccc(o1)Cl 4a_100000189765_100000188459 [0,1,0,0,0,0|2,0,1]=4 764 B12R1.105 CC(=O)NN=Cc1ccc(o1)I 4a_100000189765_100000186757 [0,1,0,0,0,0|2,0,1]=4 765 B12R1.105 CC(C)CNCc1cc(co1)Br 270004a_100000210953_100000747035 [0,1,0,0,0,0|2,0,1]=4 766 B12R1.105 CC(C)CNCc1ccc(o1)Br 207a_100000210953_100000185145 [0,1,0,0,0,0|2,0,1]=4 767 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000210953_100000185145 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000708654_100000210432 [0,1,0,0,0,0|2,0,1]=4 769 B12R1.105 CC(C)CNCc1ccc(o1)Br 34a_100000708654_100000210624 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.105 CC(C)CNCc1ccc(o1)Cl 207a_100000210953_100000188459 [0,1,0,0,0,0|2,0,1]=4 771 B12R1.105 CC(C)CNCc1ccc(o1)Cl 270004a_100000210953_100000188459 [0,1,0,0,0,0|2,0,1]=4 772 B12R1.105 CC(C)CNCc1ccc(o1)I 207a_100000210953_100000186757 [0,1,0,0,0,0|2,0,1]=4 773 B12R1.105 CC(C)COCc1ccc(o1)Br 34a_100000246276_100000210624 [0,1,0,0,0,0|1,1,1]=4 774 B12R1.105 CC(C)COCc1ccc(o1)Br 7a_100000246276_100000210760 [0,1,0,0,0,0|1,1,1]=4 775 B12R1.105 CC(C)CSCc1cc(cs1)Br 62a_100000210624_100000746031 [0,1,0,0,0,0|1,1,1]=4 776 B12R1.105 CC(C)CSCc1cc(cs1)Br 62a_100000746031_100000210760 [0,1,0,0,0,0|1,1,1]=4 777 B12R1.105 CC(C)CSCc1cc(no1)Br 62a_100000210624_100000709089 [0,1,0,0,0,0|2,0,1]=4 778 B12R1.105 CC(C)CSCc1cc(no1)Br 62a_100000709089_100000210760 [0,1,0,0,0,0|2,0,1]=4 779 B12R1.105 CC(C)CSCc1ccc(s1)Br 62a_100000210624_100000708592 [0,1,0,0,0,0|1,1,1]=4 780 B12R1.105 CC(C)CSCc1ccc(s1)Br 62a_100000708592_100000210760 [0,1,0,0,0,0|1,1,1]=4 781 B12R1.105 CC(C)CSCc1ccc(s1)Cl 62a_100000185097_100000210760 [0,1,0,0,0,0|1,1,1]=4 782 B12R1.105 CC(C)CSCc1ccc(s1)Cl 62a_100000210624_100000185097 [0,1,0,0,0,0|1,1,1]=4 783 B12R1.105 CC(O)CNCc1cc(co1)Br 270004a_100000210904_100000747035 [0,1,0,0,0,0|1,0,2]=4 784 B12R1.105 CC(O)CNCc1ccc(o1)Br 207a_100000210904_100000185145 [0,1,0,0,0,0|1,0,2]=4 785 B12R1.105 CC(O)CNCc1ccc(o1)Br 270004a_100000210904_100000185145 [0,1,0,0,0,0|1,0,2]=4 786 B12R1.105 CC(O)CNCc1ccc(o1)Br 34a_100000708654_100011218427 [0,1,0,0,0,0|1,0,2]=4 787 B12R1.105 CC(O)CNCc1ccc(o1)Cl 207a_100000210904_100000188459 [0,1,0,0,0,0|1,0,2]=4 788 B12R1.105 CC(O)CNCc1ccc(o1)Cl 270004a_100000210904_100000188459 [0,1,0,0,0,0|1,0,2]=4 789 B12R1.105 CC(O)CNCc1ccc(o1)I 207a_100000210904_100000186757 [0,1,0,0,0,0|1,0,2]=4 790 B12R1.105 CC(O)COCc1ccc(o1)Br 34a_100000246276_100011218427 [0,1,0,0,0,0|0,1,2]=4 791 B12R1.105 CC(O)COCc1ccc(o1)Br 7a_100000246276_100011218427 [0,1,0,0,0,0|0,1,2]=4 792 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100000746031_100011218427 [0,1,0,0,0,0|0,1,2]=4 793 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100011218427_100000746031 [0,1,0,0,0,0|0,1,2]=4 794 B12R1.105 CC(O)CSCc1cc(no1)Br 62a_100000709089_100011218427 [0,1,0,0,0,0|1,0,2]=4 795 B12R1.105 CC(O)CSCc1cc(no1)Br 62a_100011218427_100000709089 [0,1,0,0,0,0|1,0,2]=4 796 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100000708592_100011218427 [0,1,0,0,0,0|0,1,2]=4 797 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100011218427_100000708592 [0,1,0,0,0,0|0,1,2]=4 798 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100000185097_100011218427 [0,1,0,0,0,0|0,1,2]=4 799 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100011218427_100000185097 [0,1,0,0,0,0|0,1,2]=4 800 B12R1.105 C[C@@H](O)CNCc1ccc(o1)Br 34a_100000708654_100009817552 [0,1,0,0,0,0|1,0,2]=4 801 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 34a_100000246276_100009817552 [0,1,0,0,0,0|0,1,2]=4 802 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 7a_100000246276_100009817552 [0,1,0,0,0,0|0,1,2]=4 803 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100000746031_100009817552 [0,1,0,0,0,0|0,1,2]=4 804 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100009817552_100000746031 [0,1,0,0,0,0|0,1,2]=4 805 B12R1.105 C[C@@H](O)CSCc1cc(no1)Br 62a_100000709089_100009817552 [0,1,0,0,0,0|1,0,2]=4 806 B12R1.105 C[C@@H](O)CSCc1cc(no1)Br 62a_100009817552_100000709089 [0,1,0,0,0,0|1,0,2]=4 807 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100000708592_100009817552 [0,1,0,0,0,0|0,1,2]=4 808 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100009817552_100000708592 [0,1,0,0,0,0|0,1,2]=4 809 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100000185097_100009817552 [0,1,0,0,0,0|0,1,2]=4 810 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100009817552_100000185097 [0,1,0,0,0,0|0,1,2]=4 811 B12R1.105 Cc1cc(no1)CSCC(=O)N 62a_100000199038_100000747473 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.105 Cc1cc(no1)CSCC(=O)N 62a_100000747473_100000199038 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.105 Cc1cc(no1)CSCC(=O)[O-] 62a_100000199038_100020667443 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.105 Cc1cc(no1)CSCC(=O)[O-] 62a_100020667443_100000199038 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.105 Cc1cc(on1)CNCC(=O)N 2230a_100000711301_100000707947 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.105 Cc1cc(on1)CNCC(=O)N 2230a_100000745748_100000747473 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.105 Cc1cc(on1)CNCC(=O)N 34a_100000745748_100000187820 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.105 Cc1cc(on1)CNCC(=O)O 269956a_100016091260_100000707947 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.105 Cc1cc(on1)CNCC(=O)[O-] 34a_100000745748_100020667443 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.105 Cc1cc(on1)COCC(=O)N 34a_100000684692_100000187820 [0,1,0,0,0,0|2,1,0]=4 821 B12R1.105 Cc1cc(on1)COCC(=O)[O-] 34a_100000684692_100020667443 [0,1,0,0,0,0|2,1,0]=4 822 B12R1.105 Cc1cc(on1)CSCC(=O)N 62a_100000707947_100000747473 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.105 Cc1cc(on1)CSCC(=O)N 62a_100000747473_100000707947 [0,1,0,0,0,0|2,0,0]=3 824 B12R1.105 Cc1cc(on1)CSCC(=O)[O-] 62a_100000707947_100020667443 [0,1,0,0,0,0|2,0,0]=3 825 B12R1.105 Cc1cc(on1)CSCC(=O)[O-] 62a_100020667443_100000707947 [0,1,0,0,0,0|2,0,0]=3 826 B12R1.105 Cc1cc(on1)CSCC(C)C 62a_100000210624_100000707947 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.105 Cc1cc(on1)CSCC(C)C 62a_100000707947_100000210760 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.105 Cc1cc(on1)CSCC(C)O 62a_100000707947_100011218427 [0,1,0,0,0,0|1,0,2]=4 829 B12R1.105 Cc1cc(on1)CSCC(C)O 62a_100011218427_100000707947 [0,1,0,0,0,0|1,0,2]=4 830 B12R1.105 Cc1cc(on1)CSC[C@@H](C)O 62a_100000707947_100009817552 [0,1,0,0,0,0|1,0,2]=4 831 B12R1.105 Cc1cc(on1)CSC[C@@H](C)O 62a_100009817552_100000707947 [0,1,0,0,0,0|1,0,2]=4 832 B12R1.105 Cc1cc(on1)CSC[N+](=O)[O-] 62a_100000707947_100000761209 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.105 Cc1ccc(o1)CNCC(=O)N 34a_100011194323_100000187820 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.105 Cc1ccc(o1)CNCC(=O)[O-] 34a_100011194323_100020667443 [0,1,0,0,0,0|2,0,0]=3 835 B12R1.105 Cc1ccc(o1)CNCC(C)C 207a_100000210953_100000183696 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100000210953_100000183696 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100011194323_100000210432 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.105 Cc1ccc(o1)CNCC(C)C 34a_100011194323_100000210624 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.105 Cc1ccc(o1)CNCC(C)O 207a_100000210904_100000183696 [0,1,0,0,0,0|1,0,2]=4 840 B12R1.105 Cc1ccc(o1)CNCC(C)O 270004a_100000210904_100000183696 [0,1,0,0,0,0|1,0,2]=4 841 B12R1.105 Cc1ccc(o1)CNCC(C)O 34a_100011194323_100011218427 [0,1,0,0,0,0|1,0,2]=4 842 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O 34a_100011194323_100009817552 [0,1,0,0,0,0|1,0,2]=4 843 B12R1.105 Cc1ccc(o1)CNC[N+](=O)[O-] 34a_100011194323_100000761209 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.105 Cc1ccc(o1)COCC(=O)N 34a_100011232665_100000187820 [0,1,0,0,0,0|1,1,0]=3 845 B12R1.105 Cc1ccc(o1)COCC(=O)N 7a_100011232665_100000187820 [0,1,0,0,0,0|1,1,0]=3 846 B12R1.105 Cc1ccc(o1)COCC(=O)[O-] 34a_100011232665_100020667443 [0,1,0,0,0,0|1,1,0]=3 847 B12R1.105 Cc1ccc(o1)COCC(C)C 34a_100011232665_100000210624 [0,1,0,0,0,0|1,1,1]=4 848 B12R1.105 Cc1ccc(o1)COCC(C)C 7a_100011232665_100000210760 [0,1,0,0,0,0|1,1,1]=4 849 B12R1.105 Cc1ccc(o1)COCC(C)O 34a_100011232665_100011218427 [0,1,0,0,0,0|0,1,2]=4 850 B12R1.105 Cc1ccc(o1)COCC(C)O 7a_100011232665_100011218427 [0,1,0,0,0,0|0,1,2]=4 851 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 34a_100011232665_100009817552 [0,1,0,0,0,0|0,1,2]=4 852 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 7a_100011232665_100009817552 [0,1,0,0,0,0|0,1,2]=4 853 B12R1.105 Cc1ccc(o1)COC[N+](=O)[O-] 34a_100011232665_100000761209 [0,1,0,0,0,0|2,1,0]=4 854 B12R1.105 Cc1ccc(s1)CNCC(=O)N 2230a_100000238518_100000747473 [0,1,0,0,0,0|2,1,0]=4 855 B12R1.105 Cc1ccc(s1)COCC(=O)N 34a_100000238367_100000187820 [0,1,0,0,0,0|1,2,0]=4 856 B12R1.105 Cc1ccc(s1)COCC(=O)[O-] 34a_100000238367_100020667443 [0,1,0,0,0,0|1,2,0]=4 857 B12R1.105 Cc1cnc(o1)CNCC(=O)N 2230a_100138411809_100000747473 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.105 Cc1cnc(o1)CNCC(=O)N 34a_100138411809_100000187820 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.105 Cc1cnc(o1)CNCC(=O)[O-] 34a_100138411809_100020667443 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.105 Cc1csc(c1)CNCC(=O)N 2230a_100015204214_100000747473 [0,1,0,0,0,0|2,1,0]=4 861 B12R1.105 Cc1csc(c1)CNCC(=O)N 34a_100015204214_100000187820 [0,1,0,0,0,0|2,1,0]=4 862 B12R1.105 Cc1csc(c1)CNCC(=O)[O-] 34a_100015204214_100020667443 [0,1,0,0,0,0|2,1,0]=4 863 B12R1.105 Cc1csc(c1)COCC(=O)N 34a_200000068372_100000187820 [0,1,0,0,0,0|1,2,0]=4 864 B12R1.105 Cc1csc(c1)COCC(=O)N 7a_200000068372_100000187820 [0,1,0,0,0,0|1,2,0]=4 865 B12R1.105 Cc1csc(c1)COCC(=O)[O-] 34a_200000068372_100020667443 [0,1,0,0,0,0|1,2,0]=4 866 B12R1.105 Cc1nc(cs1)CSCC(=O)N 62a_100000747473_100015186478 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.105 Cc1nc(cs1)CSCC(=O)N 62a_100015186478_100000747473 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.105 Cc1nc(cs1)CSCC(=O)[13CH3] 1458a_100000150240_200025704644 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.105 Cc1nc(cs1)CSCC(=O)[O-] 62a_100015186478_100020667443 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.105 Cc1nc(cs1)CSCC(=O)[O-] 62a_100020667443_100015186478 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.105 Cc1ncc(s1)CSCC(=O)N 62a_100000747473_100020635045 [0,1,0,0,0,0|2,1,0]=4 872 B12R1.105 Cc1ncc(s1)CSCC(=O)N 62a_100020635045_100000747473 [0,1,0,0,0,0|2,1,0]=4 873 B12R1.105 Cc1ncc(s1)CSCC(=O)[O-] 62a_100020635045_100020667443 [0,1,0,0,0,0|2,1,0]=4 874 B12R1.105 Cc1ncc(s1)CSCC(=O)[O-] 62a_100020667443_100020635045 [0,1,0,0,0,0|2,1,0]=4 875 B12R1.105 Cc1nnc(o1)CSCC(=O)N 62a_100000181450_100000747473 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.105 Cc1nnc(o1)CSCC(=O)N 62a_100000747473_100000181450 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.105 Cc1nnc(o1)CSCC(=O)[O-] 62a_100000181450_100020667443 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.105 Cc1nnc(o1)CSCC(=O)[O-] 62a_100020667443_100000181450 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.105 Cc1noc(n1)CSCC(=O)N 270196a_100000212224_100000150265 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.105 Cc1noc(n1)CSCC(=O)N 62a_100000735555_100000747473 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.105 Cc1noc(n1)CSCC(=O)N 62a_100000747473_100000735555 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.105 Cc1noc(n1)CSCC(=O)[O-] 62a_100000735555_100020667443 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.105 Cc1noc(n1)CSCC(=O)[O-] 62a_100020667443_100000735555 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.105 Cn1ccc(n1)CSCC(=O)N 62a_100000726502_100000747473 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.105 Cn1ccc(n1)CSCC(=O)N 62a_100000747473_100000726502 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.105 Cn1ccc(n1)CSCC(=O)[O-] 62a_100000726502_100020667443 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.105 Cn1ccc(n1)CSCC(=O)[O-] 62a_100020667443_100000726502 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000717665_100000747473 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000747473_100000717665 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100000717665_100020667443 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100020667443_100000717665 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.105 NC(=O)CNCc1cc(cs1)Br 2230a_100000711301_100000746031 [0,1,0,0,0,0|2,1,0]=4 893 B12R1.105 NC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747473 [0,1,0,0,0,0|2,1,0]=4 894 B12R1.105 NC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000187820 [0,1,0,0,0,0|2,1,0]=4 895 B12R1.105 NC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000747473 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.105 NC(=O)CNCc1cc(no1)Br 34a_100015193020_100000187820 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.105 NC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000187820 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.105 NC(=O)CNCc1ccc(s1)Br 2230a_100000711301_100000708592 [0,1,0,0,0,0|2,1,0]=4 899 B12R1.105 NC(=O)CNCc1ccc(s1)Cl 2230a_100000711301_100000185097 [0,1,0,0,0,0|2,1,0]=4 900 B12R1.105 NC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747473 [0,1,0,0,0,0|2,1,0]=4 901 B12R1.105 NC(=O)COCc1cc(cs1)Br 34a_100000238369_100000187820 [0,1,0,0,0,0|1,2,0]=4 902 B12R1.105 NC(=O)COCc1cc(cs1)Br 7a_100000238369_100000187820 [0,1,0,0,0,0|1,2,0]=4 903 B12R1.105 NC(=O)COCc1cc(no1)Br 34a_100009816691_100000187820 [0,1,0,0,0,0|2,1,0]=4 904 B12R1.105 NC(=O)COCc1ccc(o1)Br 34a_100000246276_100000187820 [0,1,0,0,0,0|1,1,0]=3 905 B12R1.105 NC(=O)COCc1ccc(o1)Br 7a_100000246276_100000187820 [0,1,0,0,0,0|1,1,0]=3 906 B12R1.105 NC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747473 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.105 NC(=O)CSCC1=CC(=O)OC1 62a_100000747473_100000716558 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.105 NC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747473 [0,1,0,0,0,0|1,1,0]=3 909 B12R1.105 NC(=O)CSCc1cc(cs1)Br 62a_100000747473_100000746031 [0,1,0,0,0,0|1,1,0]=3 910 B12R1.105 NC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747473 [0,1,0,0,0,0|2,0,0]=3 911 B12R1.105 NC(=O)CSCc1cc(no1)Br 62a_100000747473_100000709089 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.105 NC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747473 [0,1,0,0,0,0|1,1,0]=3 913 B12R1.105 NC(=O)CSCc1ccc(s1)Br 62a_100000747473_100000708592 [0,1,0,0,0,0|1,1,0]=3 914 B12R1.105 NC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747473 [0,1,0,0,0,0|1,1,0]=3 915 B12R1.105 NC(=O)CSCc1ccc(s1)Cl 62a_100000747473_100000185097 [0,1,0,0,0,0|1,1,0]=3 916 B12R1.105 NC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747473 [0,1,0,0,0,0|2,1,0]=4 917 B12R1.105 NC(=O)CSCc1cnc(s1)Br 62a_100000747473_100000717027 [0,1,0,0,0,0|2,1,0]=4 918 B12R1.105 NC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747473 [0,1,0,0,0,0|2,1,0]=4 919 B12R1.105 NC(=O)CSCc1cnc(s1)Cl 62a_100000747473_100000058068 [0,1,0,0,0,0|2,1,0]=4 920 B12R1.105 NC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000747473 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.105 NC(=O)CSCc1csc(n1)Cl 62a_100000747473_100000024076 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.105 O=C(O)CNCc1cc(cs1)Br 269956a_100016091260_100000746031 [0,1,0,0,0,0|2,1,0]=4 923 B12R1.105 O=C(O)CNCc1cc(no1)Br 269956a_100016091260_100000709089 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.105 O=C(O)CNCc1ccc(s1)Br 269956a_100016091260_100000708592 [0,1,0,0,0,0|2,1,0]=4 925 B12R1.105 O=C(O)CNCc1ccc(s1)Cl 269956a_100016091260_100000185097 [0,1,0,0,0,0|2,1,0]=4 926 B12R1.105 O=C([O-])CNCc1cc(cs1)Br 34a_100000741024_100020667443 [0,1,0,0,0,0|2,1,0]=4 927 B12R1.105 O=C([O-])CNCc1cc(no1)Br 34a_100015193020_100020667443 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.105 O=C([O-])CNCc1ccc(o1)Br 34a_100000708654_100020667443 [0,1,0,0,0,0|2,0,0]=3 929 B12R1.105 O=C([O-])COCc1cc(cs1)Br 34a_100000238369_100020667443 [0,1,0,0,0,0|1,2,0]=4 930 B12R1.105 O=C([O-])COCc1cc(no1)Br 34a_100009816691_100020667443 [0,1,0,0,0,0|2,1,0]=4 931 B12R1.105 O=C([O-])COCc1ccc(o1)Br 34a_100000246276_100020667443 [0,1,0,0,0,0|1,1,0]=3 932 B12R1.105 O=C([O-])CSCC1=CC(=O)OC1 62a_100000716558_100020667443 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.105 O=C([O-])CSCC1=CC(=O)OC1 62a_100020667443_100000716558 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.105 O=C([O-])CSCc1cc(cs1)Br 62a_100000746031_100020667443 [0,1,0,0,0,0|1,1,0]=3 935 B12R1.105 O=C([O-])CSCc1cc(cs1)Br 62a_100020667443_100000746031 [0,1,0,0,0,0|1,1,0]=3 936 B12R1.105 O=C([O-])CSCc1cc(no1)Br 62a_100000709089_100020667443 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.105 O=C([O-])CSCc1cc(no1)Br 62a_100020667443_100000709089 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.105 O=C([O-])CSCc1ccc(s1)Br 62a_100000708592_100020667443 [0,1,0,0,0,0|1,1,0]=3 939 B12R1.105 O=C([O-])CSCc1ccc(s1)Br 62a_100020667443_100000708592 [0,1,0,0,0,0|1,1,0]=3 940 B12R1.105 O=C([O-])CSCc1ccc(s1)Cl 62a_100000185097_100020667443 [0,1,0,0,0,0|1,1,0]=3 941 B12R1.105 O=C([O-])CSCc1ccc(s1)Cl 62a_100020667443_100000185097 [0,1,0,0,0,0|1,1,0]=3 942 B12R1.105 O=C([O-])CSCc1cnc(s1)Br 62a_100000717027_100020667443 [0,1,0,0,0,0|2,1,0]=4 943 B12R1.105 O=C([O-])CSCc1cnc(s1)Br 62a_100020667443_100000717027 [0,1,0,0,0,0|2,1,0]=4 944 B12R1.105 O=C([O-])CSCc1cnc(s1)Cl 62a_100000058068_100020667443 [0,1,0,0,0,0|2,1,0]=4 945 B12R1.105 O=C([O-])CSCc1cnc(s1)Cl 62a_100020667443_100000058068 [0,1,0,0,0,0|2,1,0]=4 946 B12R1.105 O=C([O-])CSCc1csc(n1)Cl 62a_100000024076_100020667443 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.105 O=C([O-])CSCc1csc(n1)Cl 62a_100020667443_100000024076 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.105 O=[N+]([O-])CNCc1ccc(o1)Br 34a_100000708654_100000761209 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.105 O=[N+]([O-])COCc1ccc(o1)Br 34a_100000246276_100000761209 [0,1,0,0,0,0|2,1,0]=4 950 B12R1.105 O=[N+]([O-])CSCc1cc(cs1)Br 62a_100000746031_100000761209 [0,1,0,0,0,0|2,1,0]=4 951 B12R1.105 O=[N+]([O-])CSCc1cc(no1)Br 62a_100000709089_100000761209 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.105 O=[N+]([O-])CSCc1ccc(s1)Br 62a_100000708592_100000761209 [0,1,0,0,0,0|2,1,0]=4 953 B12R1.105 O=[N+]([O-])CSCc1ccc(s1)Cl 62a_100000185097_100000761209 [0,1,0,0,0,0|2,1,0]=4 954 B12R1.105 [13CH3]C(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200025704644 [0,1,0,0,0,0|0,1,0]=2 955 B12R1.130 C=C(C)CNCc1cccn1C 34a_100011219357_100000748629 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.130 C=C(C)CNCc1sccc1C 2230a_100000238519_100000748629 [0,1,0,0,0,0|2,1,0]=4 957 B12R1.130 C=C(C)CNCc1sccc1C 34a_100000238519_100000748629 [0,1,0,0,0,0|2,1,0]=4 958 B12R1.130 C=C(C)CNCc1sccc1Cl 2230a_100011934584_100000748629 [0,1,0,0,0,0|2,1,0]=4 959 B12R1.130 C=C(C)CNCc1sccc1Cl 34a_100011934584_100000748629 [0,1,0,0,0,0|2,1,0]=4 960 B12R1.130 C=C(C)COCc1occc1C 34a_100011273948_100000748629 [0,1,0,0,0,0|1,1,0]=3 961 B12R1.130 C=C(C)COCc1occc1C 7a_100011273948_100000748629 [0,1,0,0,0,0|1,1,0]=3 962 B12R1.130 C=C(C)COCc1ocnc1C 34a_100000717716_100000748629 [0,1,0,0,0,0|2,1,0]=4 963 B12R1.130 C=C(C)COCc1ocnc1C 7a_100000717716_100000748629 [0,1,0,0,0,0|2,1,0]=4 964 B12R1.130 C=C(C)COCc1oncc1C 34a_200011065769_100000748629 [0,1,0,0,0,0|2,1,0]=4 965 B12R1.130 C=C(C)COCc1sccc1Br 34a_100000702026_100000748629 [0,1,0,0,0,0|1,2,0]=4 966 B12R1.130 C=C(C)COCc1sccc1C 34a_100000238368_100000748629 [0,1,0,0,0,0|1,2,0]=4 967 B12R1.130 C=C(C)COCc1sccc1C 7a_100000238368_100000748629 [0,1,0,0,0,0|1,2,0]=4 968 B12R1.130 C=C(C)COCc1sccc1Cl 34a_100000722387_100000748629 [0,1,0,0,0,0|1,2,0]=4 969 B12R1.130 C=C(C)COCc1sccc1Cl 7a_100000722387_100000748629 [0,1,0,0,0,0|1,2,0]=4 970 B12R1.130 C=C(C)CSCc1ccnn1C 62a_100000691648_100000211660 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.130 C=C(C)CSCc1ccnn1C 62a_100000748629_100000691648 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.130 C=C(C)CSCc1ccsc1Br 62a_100000748629_100009814289 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.130 C=C(C)CSCc1ccsc1Br 62a_100009814289_100000211660 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.130 C=C(C)CSCc1ccsc1Cl 62a_100000748629_100010167017 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.130 C=C(C)CSCc1ccsc1Cl 62a_100010167017_100000211660 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.130 C=C(C)CSCc1nc[nH]c1C 62a_100000748629_100000751220 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.130 C=C(C)CSCc1nc[nH]c1C 62a_100000751220_100000211660 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.130 C=C(C)CSCc1nccn1C 62a_100000700302_100000211660 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.130 C=C(C)CSCc1nccn1C 62a_100000748629_100000700302 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.130 C=C(C)CSCc1ncoc1C 62a_100000748629_200000693990 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.130 C=C(C)CSCc1ncoc1C 62a_200000693990_100000211660 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.130 C=C(F)COCc1occc1C 34a_100011273948_100009893438 [0,1,0,0,0,0|1,1,1]=4 983 B12R1.130 C=C(F)COCc1occc1C 7a_100011273948_100000042424 [0,1,0,0,0,0|1,1,1]=4 984 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100000053229_100012361411 [0,1,0,0,0,0|2,1,0]=4 985 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100012361411_100000053229 [0,1,0,0,0,0|2,1,0]=4 986 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,1,0,0,0,0|2,1,0]=4 987 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,1,0,0,0,0|2,1,0]=4 988 B12R1.130 CC(=O)COCc1ccnn1C 34a_100000211253_100000691648 [0,1,0,0,0,0|2,1,0]=4 989 B12R1.130 CC(=O)COCc1ccsc1Br 34a_100000211253_100009814289 [0,1,0,0,0,0|2,1,0]=4 990 B12R1.130 CC(=O)COCc1ccsc1Cl 34a_100000211253_100010167017 [0,1,0,0,0,0|2,1,0]=4 991 B12R1.130 CC(=O)COCc1nccn1C 34a_100000211253_100000700302 [0,1,0,0,0,0|2,1,0]=4 992 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,1,0,0,0,0|2,1,0]=4 993 B12R1.130 CC(=O)NCCc1cccn1C 11a_100011251756_100015343762 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.130 CC(=O)NCCc1cccn1C 1626a_100011251756_100015343762 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.130 CC(=O)NCCc1cccn1C 240690a_100011251756_100015343762 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.130 CC(=O)NCCc1cccn1C 527a_100011251756_100103153847 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.130 CC(=O)NN=Cc1occc1Br 4a_100000189765_100000756499 [0,1,0,0,0,0|2,0,1]=4 998 B12R1.130 CC(=O)NN=Cc1occc1C 4a_100000189765_100000763527 [0,1,0,0,0,0|2,0,1]=4 999 B12R1.130 CC(C)CNCc1occc1Br 270004a_100000210953_100000756499 [0,1,0,0,0,0|2,0,1]=4 1000 B12R1.130 CC(O)CNCc1occc1Br 270004a_100000210904_100000756499 [0,1,0,0,0,0|1,0,2]=4 1001 B12R1.130 Cc1[nH]cnc1CSCC(=O)N 62a_100000747473_100000751220 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.130 Cc1[nH]cnc1CSCC(=O)N 62a_100000751220_100000747473 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.130 Cc1[nH]cnc1CSCC(=O)[O-] 62a_100000751220_100020667443 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.130 Cc1[nH]cnc1CSCC(=O)[O-] 62a_100020667443_100000751220 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.130 Cc1ccoc1CNCC(C)C 207a_100000210953_100000763527 [0,1,0,0,0,0|2,0,1]=4 1006 B12R1.130 Cc1ccoc1CNCC(C)C 270004a_100000210953_100000763527 [0,1,0,0,0,0|2,0,1]=4 1007 B12R1.130 Cc1ccoc1CNCC(C)O 207a_100000210904_100000763527 [0,1,0,0,0,0|1,0,2]=4 1008 B12R1.130 Cc1ccoc1CNCC(C)O 270004a_100000210904_100000763527 [0,1,0,0,0,0|1,0,2]=4 1009 B12R1.130 Cc1ccoc1COCC(=O)N 34a_100011273948_100000187820 [0,1,0,0,0,0|1,1,0]=3 1010 B12R1.130 Cc1ccoc1COCC(=O)N 7a_100011273948_100000187820 [0,1,0,0,0,0|1,1,0]=3 1011 B12R1.130 Cc1ccoc1COCC(=O)[O-] 34a_100011273948_100020667443 [0,1,0,0,0,0|1,1,0]=3 1012 B12R1.130 Cc1ccoc1COCC(C)C 34a_100011273948_100000210624 [0,1,0,0,0,0|1,1,1]=4 1013 B12R1.130 Cc1ccoc1COCC(C)C 7a_100011273948_100000210760 [0,1,0,0,0,0|1,1,1]=4 1014 B12R1.130 Cc1ccoc1COCC(C)O 34a_100011273948_100011218427 [0,1,0,0,0,0|0,1,2]=4 1015 B12R1.130 Cc1ccoc1COCC(C)O 7a_100011273948_100011218427 [0,1,0,0,0,0|0,1,2]=4 1016 B12R1.130 Cc1ccoc1COC[C@@H](C)O 34a_100011273948_100009817552 [0,1,0,0,0,0|0,1,2]=4 1017 B12R1.130 Cc1ccoc1COC[C@@H](C)O 7a_100011273948_100009817552 [0,1,0,0,0,0|0,1,2]=4 1018 B12R1.130 Cc1ccoc1COC[N+](=O)[O-] 34a_100011273948_100000761209 [0,1,0,0,0,0|2,1,0]=4 1019 B12R1.130 Cc1ccsc1CNCC(=O)N 2230a_100000238519_100000747473 [0,1,0,0,0,0|2,1,0]=4 1020 B12R1.130 Cc1ccsc1CNCC(=O)N 34a_100000238519_100000187820 [0,1,0,0,0,0|2,1,0]=4 1021 B12R1.130 Cc1ccsc1CNCC(=O)[O-] 34a_100000238519_100020667443 [0,1,0,0,0,0|2,1,0]=4 1022 B12R1.130 Cc1ccsc1COCC(=O)N 34a_100000238368_100000187820 [0,1,0,0,0,0|1,2,0]=4 1023 B12R1.130 Cc1ccsc1COCC(=O)N 7a_100000238368_100000187820 [0,1,0,0,0,0|1,2,0]=4 1024 B12R1.130 Cc1ccsc1COCC(=O)[O-] 34a_100000238368_100020667443 [0,1,0,0,0,0|1,2,0]=4 1025 B12R1.130 Cc1cnoc1COCC(=O)N 34a_200011065769_100000187820 [0,1,0,0,0,0|2,1,0]=4 1026 B12R1.130 Cc1cnoc1COCC(=O)[O-] 34a_200011065769_100020667443 [0,1,0,0,0,0|2,1,0]=4 1027 B12R1.130 Cc1ncoc1COCC(=O)N 34a_100000717716_100000187820 [0,1,0,0,0,0|2,1,0]=4 1028 B12R1.130 Cc1ncoc1COCC(=O)N 7a_100000717716_100000187820 [0,1,0,0,0,0|2,1,0]=4 1029 B12R1.130 Cc1ncoc1COCC(=O)[O-] 34a_100000717716_100020667443 [0,1,0,0,0,0|2,1,0]=4 1030 B12R1.130 Cc1ocnc1CSCC(=O)N 62a_100000747473_200000693990 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.130 Cc1ocnc1CSCC(=O)N 62a_200000693990_100000747473 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.130 Cc1ocnc1CSCC(=O)[O-] 62a_100020667443_200000693990 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.130 Cc1ocnc1CSCC(=O)[O-] 62a_200000693990_100020667443 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.130 Cn1cccc1CNCC(=O)N 34a_100011219357_100000187820 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.130 Cn1cccc1CNCC(=O)[O-] 34a_100011219357_100020667443 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.130 Cn1ccnc1CSCC(=O)N 62a_100000700302_100000747473 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.130 Cn1ccnc1CSCC(=O)N 62a_100000747473_100000700302 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.130 Cn1ccnc1CSCC(=O)[O-] 62a_100000700302_100020667443 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.130 Cn1ccnc1CSCC(=O)[O-] 62a_100020667443_100000700302 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.130 Cn1nccc1CSCC(=O)N 62a_100000691648_100000747473 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.130 Cn1nccc1CSCC(=O)N 62a_100000747473_100000691648 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.130 Cn1nccc1CSCC(=O)[O-] 62a_100000691648_100020667443 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.130 Cn1nccc1CSCC(=O)[O-] 62a_100020667443_100000691648 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.130 NC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747473 [0,1,0,0,0,0|2,1,0]=4 1045 B12R1.130 NC(=O)CNCc1sccc1Cl 34a_100011934584_100000187820 [0,1,0,0,0,0|2,1,0]=4 1046 B12R1.130 NC(=O)COCc1sccc1Br 34a_100000702026_100000187820 [0,1,0,0,0,0|1,2,0]=4 1047 B12R1.130 NC(=O)COCc1sccc1Cl 34a_100000722387_100000187820 [0,1,0,0,0,0|1,2,0]=4 1048 B12R1.130 NC(=O)COCc1sccc1Cl 7a_100000722387_100000187820 [0,1,0,0,0,0|1,2,0]=4 1049 B12R1.130 NC(=O)CSCc1ccsc1Br 62a_100000747473_100009814289 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.130 NC(=O)CSCc1ccsc1Br 62a_100009814289_100000747473 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.130 NC(=O)CSCc1ccsc1Cl 62a_100000747473_100010167017 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.130 NC(=O)CSCc1ccsc1Cl 62a_100010167017_100000747473 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.130 O=C([O-])CNCc1sccc1Cl 34a_100011934584_100020667443 [0,1,0,0,0,0|2,1,0]=4 1054 B12R1.130 O=C([O-])COCc1sccc1Br 34a_100000702026_100020667443 [0,1,0,0,0,0|1,2,0]=4 1055 B12R1.130 O=C([O-])COCc1sccc1Cl 34a_100000722387_100020667443 [0,1,0,0,0,0|1,2,0]=4 1056 B12R1.130 O=C([O-])CSCc1ccsc1Br 62a_100009814289_100020667443 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.130 O=C([O-])CSCc1ccsc1Br 62a_100020667443_100009814289 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.130 O=C([O-])CSCc1ccsc1Cl 62a_100010167017_100020667443 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.130 O=C([O-])CSCc1ccsc1Cl 62a_100020667443_100010167017 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.260 C=C(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748629 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.260 C=C(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748629 [0,1,0,0,0,0|2,1,0]=4 1063 B12R1.260 C=C(C)CN(C)Cc1ccco1 2230a_100000185268_100000748629 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.260 C=C(C)CN(C)Cc1ccco1 269982a_100000185268_100000748629 [0,1,0,0,0,0|2,0,0]=3 1065 B12R1.260 C=C(C)CN(C)Cc1ccco1 270004a_100000225649_100000186105 [0,1,0,0,0,0|2,0,0]=3 1066 B12R1.260 C=C(C)CN(C)Cc1cccs1 2230a_100000184426_100000748629 [0,1,0,0,0,0|2,1,0]=4 1067 B12R1.260 C=C(C)CN(C)Cc1cccs1 269982a_100000184426_100000748629 [0,1,0,0,0,0|2,1,0]=4 1068 B12R1.260 C=C(C)CN(C)Cc1cccs1 270004a_100000225649_100000209959 [0,1,0,0,0,0|2,1,0]=4 1069 B12R1.260 C=C(C)CN(C)Cc1cnco1 270004a_100000225649_100000064291 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.260 C=C(C)CN(C)Cc1ncco1 2230a_100000225649_103436540062 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.260 C=C(C)CN(C)Cc1ncco1 269982a_100000225649_103436540062 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.260 C=C(C)CN(C)Cc1ncco1 270004a_100000225649_100000064290 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.260 C=C(F)CC(=O)Cc1ccco1 1458a_100011217309_100009893438 [0,1,0,0,0,0|2,0,1]=4 1074 B12R1.260 C=C(F)CN(C)Cc1ccco1 2230a_100000185268_100009893438 [0,1,0,0,0,0|2,0,1]=4 1075 B12R1.260 C=C(F)CN(C)Cc1ccco1 269982a_100000185268_100009893438 [0,1,0,0,0,0|2,0,1]=4 1076 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,1,0,0,0,0|2,1,0]=4 1077 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,1,0,0,0,0|2,1,0]=4 1078 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,1,0,0,0,0|2,1,0]=4 1079 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,1,0,0,0,0|2,1,0]=4 1080 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009814098_100009818208 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009818208_100009814098 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,1,0,0,0,0|2,0,1]=4 1083 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000185268_100000210760 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000200082_200000210301 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000185268_100000210624 [0,1,0,0,0,0|2,0,1]=4 1086 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000200082_200000210301 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000185268_100000210432 [0,1,0,0,0,0|2,0,1]=4 1088 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000747067_100000186105 [0,1,0,0,0,0|2,0,1]=4 1089 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 2230a_100000200082_200025704644 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 269982a_100000200082_200025704644 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,1,0,0,0,0|1,0,2]=4 1092 B12R1.260 CC(O)CN(C)Cc1ccco1 2230a_100000185268_100011218427 [0,1,0,0,0,0|1,0,2]=4 1093 B12R1.260 CC(O)CN(C)Cc1ccco1 269982a_100000185268_100011218427 [0,1,0,0,0,0|1,0,2]=4 1094 B12R1.260 CC(O)CN(C)Cc1ccco1 270004a_100000227577_100000186105 [0,1,0,0,0,0|1,0,2]=4 1095 B12R1.260 CN(CC(=O)N)Cc1ccco1 2230a_100000185268_100000747473 [0,1,0,0,0,0|2,0,0]=3 1096 B12R1.260 CN(CC(=O)N)Cc1ccco1 269982a_100000185268_100000187820 [0,1,0,0,0,0|2,0,0]=3 1097 B12R1.260 CN(CC(=O)N)Cc1ccco1 270004a_100000739694_100000186105 [0,1,0,0,0,0|2,0,0]=3 1098 B12R1.260 CN(CC(=O)N)Cc1cccs1 2230a_100000184426_100000747473 [0,1,0,0,0,0|2,1,0]=4 1099 B12R1.260 CN(CC(=O)N)Cc1cccs1 269982a_100000184426_100000187820 [0,1,0,0,0,0|2,1,0]=4 1100 B12R1.260 CN(CC(=O)N)Cc1cccs1 270004a_100000739694_100000209959 [0,1,0,0,0,0|2,1,0]=4 1101 B12R1.260 CN(CC(=O)N)Cc1cnco1 270004a_100000739694_100000064291 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.260 CN(CC(=O)N)Cc1ncco1 2230a_100000739694_103436540062 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.260 CN(CC(=O)N)Cc1ncco1 270004a_100000739694_100000064290 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.260 CN(CC(=O)O)Cc1ncco1 269956a_100000746989_103436540062 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.260 CN(CC(=O)[O-])Cc1ccco1 269982a_100000185268_100020667443 [0,1,0,0,0,0|2,0,0]=3 1106 B12R1.260 CN(CC(=O)[O-])Cc1cccs1 269982a_100000184426_100020667443 [0,1,0,0,0,0|2,1,0]=4 1107 B12R1.260 CN(Cc1ccco1)C[N+](=O)[O-] 269982a_100000185268_100000761209 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 2230a_100000185268_100009817552 [0,1,0,0,0,0|1,0,2]=4 1109 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 269982a_100000185268_100009817552 [0,1,0,0,0,0|1,0,2]=4 1110 B12R1.260 NC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000187820 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,1,0,0,0,0|2,0,0]=3 1112 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,1,0,0,0,0|2,1,0]=4 1113 B12R1.260 NC(=O)CC(=O)Cc1ncco1 1458a_100134613110_103436540062 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.260 O=C(Cc1ccco1)C[N+](=O)[O-] 1458a_100011217309_100000761209 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.260 O=C([O-])CC(=O)Cc1ccc[nH]1 1458a_100000238377_100020667443 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,1,0,0,0,0|2,1,0]=4 1118 B12R1.264 C=C(C)C(=O)NCc1ccco1 11a_100000185738_100000185857 [0,1,0,0,0,0|2,0,1]=4 1119 B12R1.264 C=C(C)C(=O)NCc1ccco1 1626a_100000185738_100000185857 [0,1,0,0,0,0|2,0,1]=4 1120 B12R1.264 C=C(C)C(C)NCc1cccs1 269862a_100000211653_100011216138 [0,1,0,0,0,0|2,1,0]=4 1121 B12R1.264 C=C(C)C(C)NCc1cnco1 269862a_100020634212_100011216138 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100009814098_100011261029 [0,1,0,0,0,0|2,0,1]=4 1123 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100011261029_100009814098 [0,1,0,0,0,0|2,0,1]=4 1124 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,1,0,0,0,0|1,0,0]=2 1125 B12R1.264 CC(=O)C(C)NCc1cccs1 2230a_100000211653_100009814033 [0,1,0,0,0,0|1,1,0]=3 1126 B12R1.264 CC(=O)C(C)NCc1ccoc1 2230a_100015206860_100009814033 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.264 CC(=O)C(C)NCc1ccsc1 2230a_100000186416_100009814033 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.264 CC(=O)C(C)NCc1cncs1 2230a_100016987365_100009814033 [0,1,0,0,0,0|2,1,0]=4 1129 B12R1.264 CC(=O)C(C)NCc1cscn1 2230a_100015185402_100009814033 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.264 CC(=O)C(C)NCc1ncco1 2230a_100016994969_100009814033 [0,1,0,0,0,0|2,0,0]=3 1131 B12R1.264 CC(=O)C(C)NCc1nccs1 2230a_100000740555_100009814033 [0,1,0,0,0,0|2,1,0]=4 1132 B12R1.264 CC(=O)C(C)OCc1c[nH]cn1 34a_100000212229_100000707719 [0,1,0,0,0,0|2,1,0]=4 1133 B12R1.264 CC(=O)C(C)OCc1ccn[nH]1 34a_100000212229_100000728653 [0,1,0,0,0,0|2,1,0]=4 1134 B12R1.264 CC(=O)C(C)OCc1ccon1 34a_100000212229_100000234950 [0,1,0,0,0,0|2,1,0]=4 1135 B12R1.264 CC(=O)C(C)OCc1ccsc1 34a_100000212229_100011261437 [0,1,0,0,0,0|2,1,0]=4 1136 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [0,1,0,0,0,0|1,2,0]=4 1137 B12R1.264 CC(=O)C(C)OCc1cscn1 34a_100000212229_100000205941 [0,1,0,0,0,0|2,1,0]=4 1138 B12R1.264 CC(=O)C(C)OCc1ncc[nH]1 34a_100000212229_100016991755 [0,1,0,0,0,0|2,1,0]=4 1139 B12R1.264 CC(=O)C(C)OCc1ncco1 34a_100000212229_103436540062 [0,1,0,0,0,0|1,1,0]=3 1140 B12R1.264 CC(=O)C(C)OCc1nccs1 34a_100000212229_100015184050 [0,1,0,0,0,0|1,2,0]=4 1141 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100009814033 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100009814033_100000707719 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.264 CC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100009814033 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.264 CC(=O)C(C)SCc1ccn[nH]1 62a_100009814033_100000728653 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.264 CC(=O)C(C)SCc1ccon1 62a_100000234950_100009814033 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.264 CC(=O)C(C)SCc1ccon1 62a_100009814033_100000234950 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.264 CC(=O)C(C)SCc1ccsc1 62a_100009814033_100011233845 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.264 CC(=O)C(C)SCc1ccsc1 62a_100011261437_100009814033 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100009814033_100015185245 [0,1,0,0,0,0|1,1,0]=3 1150 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100015185245_100009814033 [0,1,0,0,0,0|1,1,0]=3 1151 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100000205941_100009814033 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100009814033_100000205941 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.264 CC(=O)C(C)SCc1ncc[nH]1 62a_100009814033_100016991755 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.264 CC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100009814033 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.264 CC(=O)C(C)SCc1ncco1 62a_100009814033_103436540062 [0,1,0,0,0,0|1,0,0]=2 1156 B12R1.264 CC(=O)C(C)SCc1ncco1 62a_103436540062_100009814033 [0,1,0,0,0,0|1,0,0]=2 1157 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100009814033_100015184050 [0,1,0,0,0,0|1,1,0]=3 1158 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100015184050_100009814033 [0,1,0,0,0,0|1,1,0]=3 1159 B12R1.264 CC(=O)C(C)SCc1ncon1 62a_100000233494_100009814033 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.264 CC(=O)C(C)SCc1ncon1 62a_100009814033_100000233494 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.264 CC(=O)C(C)SCn1cncn1 62a_100009814033_200020645497 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.264 CC(=O)C(C)SCn1cncn1 62a_200020645497_100009814033 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.264 CC(C)C(C)NCc1ccco1 207a_100000211541_100000186105 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.264 CC(C)C(C)NCc1ccco1 270004a_100000211541_100000186105 [0,1,0,0,0,0|2,0,1]=4 1165 B12R1.264 CC(NCc1ccco1)C(=O)N 2230a_100000185738_100000702099 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.264 CC(NCc1ccco1)C(=O)N 34a_100000185738_100000702099 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.264 CC(NCc1cccs1)C(=O)N 2230a_100000211653_100000702099 [0,1,0,0,0,0|2,1,0]=4 1168 B12R1.264 CC(NCc1ncco1)C(=O)N 2230a_100016994969_100000702099 [0,1,0,0,0,0|3,0,0]=4 1169 B12R1.264 CC(OCc1ccco1)C(=O)N 34a_100000210059_100000702099 [0,1,0,0,0,0|1,1,0]=3 1170 B12R1.264 CC(OCc1cccs1)C(=O)N 34a_100000211240_100000702099 [0,1,0,0,0,0|1,2,0]=4 1171 B12R1.264 CC(OCc1ccno1)C(=O)N 34a_100000740478_100000702099 [0,1,0,0,0,0|2,1,0]=4 1172 B12R1.264 CC(OCc1ncco1)C(=O)N 34a_100000062594_100000702099 [0,1,0,0,0,0|2,1,0]=4 1173 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000702099_100000707719 [0,1,0,0,0,0|3,0,0]=4 1174 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000707719_100000702099 [0,1,0,0,0,0|3,0,0]=4 1175 B12R1.264 CC(SCc1ccn[nH]1)C(=O)N 62a_100000702099_100000728653 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.264 CC(SCc1ccn[nH]1)C(=O)N 62a_100000728653_100000702099 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.264 CC(SCc1ccon1)C(=O)N 62a_100000234950_100000702099 [0,1,0,0,0,0|3,0,0]=4 1178 B12R1.264 CC(SCc1ccon1)C(=O)N 62a_100000702099_100000234950 [0,1,0,0,0,0|3,0,0]=4 1179 B12R1.264 CC(SCc1ccsc1)C(=O)N 62a_100000702099_100011233845 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.264 CC(SCc1ccsc1)C(=O)N 62a_100011261437_100000702099 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100000702099_100015185245 [0,1,0,0,0,0|2,1,0]=4 1182 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100015185245_100000702099 [0,1,0,0,0,0|2,1,0]=4 1183 B12R1.264 CC(SCc1cscn1)C(=O)N 62a_100000205941_100000702099 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.264 CC(SCc1cscn1)C(=O)N 62a_100000702099_100000205941 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.264 CC(SCc1ncc[nH]1)C(=O)N 62a_100000702099_100016991755 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.264 CC(SCc1ncc[nH]1)C(=O)N 62a_100016991755_100000702099 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.264 CC(SCc1ncco1)C(=O)N 62a_100000702099_103436540062 [0,1,0,0,0,0|2,0,0]=3 1188 B12R1.264 CC(SCc1ncco1)C(=O)N 62a_103436540062_100000702099 [0,1,0,0,0,0|2,0,0]=3 1189 B12R1.264 CC(SCc1nccs1)C(=O)N 62a_100000702099_100015184050 [0,1,0,0,0,0|2,1,0]=4 1190 B12R1.264 CC(SCc1nccs1)C(=O)N 62a_100015184050_100000702099 [0,1,0,0,0,0|2,1,0]=4 1191 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N 270004a_100000119354_100000186105 [0,1,0,0,0,0|2,0,0]=3 1192 B12R1.264 C[C@@H](NCc1cccs1)C(=O)N 270004a_100000119354_100000209959 [0,1,0,0,0,0|2,1,0]=4 1193 B12R1.264 C[C@@H](NCc1cnco1)C(=O)N 270004a_100000119354_100000064291 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N 2230a_100000119354_103436540062 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N 270004a_100000119354_100000064290 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N 34a_100000119354_103436540062 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N 34a_100000731257_103436540062 [0,1,0,0,0,0|2,1,0]=4 1198 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N 7a_100000731257_103436540062 [0,1,0,0,0,0|2,1,0]=4 1199 B12R1.264 C[C@H](NCc1ncco1)C(=O)O 269956a_100000743915_103436540062 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.264 C[C@H](OCc1ncco1)C(=O)[O-] 7a_217856618621_103436540062 [0,1,0,0,0,0|2,1,0]=4 1201 B12R1.264 NC(=O)C(=O)NCc1ccco1 240690a_100000185738_100011215815 [0,1,0,0,0,0|2,0,1]=4 1202 B12R1.264 NC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813875 [0,1,0,0,0,0|2,0,0]=3 1203 B12R1.264 NC(=O)C(F)NCc1ccco1 34a_100000185738_100009813875 [0,1,0,0,0,0|2,0,0]=3 1204 B12R1.264 NC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813875 [0,1,0,0,0,0|2,1,0]=4 1205 B12R1.264 NC(=O)C(F)NCc1ncco1 2230a_100016994969_100009813875 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.264 NC(=O)C(F)OCc1ccco1 34a_100000210059_100009813875 [0,1,0,0,0,0|1,1,0]=3 1207 B12R1.264 NC(=O)C(F)OCc1cccs1 34a_100000211240_100009813875 [0,1,0,0,0,0|1,2,0]=4 1208 B12R1.264 NC(=O)C(F)OCc1ccno1 34a_100000740478_100009813875 [0,1,0,0,0,0|2,1,0]=4 1209 B12R1.264 NC(=O)C(F)OCc1ncco1 34a_100000062594_100009813875 [0,1,0,0,0,0|2,1,0]=4 1210 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100009813875 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100009813875_100000707719 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.264 NC(=O)C(F)SCc1ccn[nH]1 62a_100000728653_100009813875 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.264 NC(=O)C(F)SCc1ccn[nH]1 62a_100009813875_100000728653 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.264 NC(=O)C(F)SCc1ccon1 62a_100000234950_100009813875 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.264 NC(=O)C(F)SCc1ccon1 62a_100009813875_100000234950 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.264 NC(=O)C(F)SCc1ccsc1 62a_100009813875_100011233845 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.264 NC(=O)C(F)SCc1ccsc1 62a_100011261437_100009813875 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100009813875_100015185245 [0,1,0,0,0,0|2,1,0]=4 1219 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100015185245_100009813875 [0,1,0,0,0,0|2,1,0]=4 1220 B12R1.264 NC(=O)C(F)SCc1cscn1 62a_100000205941_100009813875 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.264 NC(=O)C(F)SCc1cscn1 62a_100009813875_100000205941 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.264 NC(=O)C(F)SCc1ncc[nH]1 62a_100009813875_100016991755 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.264 NC(=O)C(F)SCc1ncc[nH]1 62a_100016991755_100009813875 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.264 NC(=O)C(F)SCc1ncco1 62a_100009813875_103436540062 [0,1,0,0,0,0|2,0,0]=3 1225 B12R1.264 NC(=O)C(F)SCc1ncco1 62a_103436540062_100009813875 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.264 NC(=O)C(F)SCc1nccs1 62a_100009813875_100015184050 [0,1,0,0,0,0|2,1,0]=4 1227 B12R1.264 NC(=O)C(F)SCc1nccs1 62a_100015184050_100009813875 [0,1,0,0,0,0|2,1,0]=4 1228 B12R1.264 O=C([O-])C(F)NCc1ccco1 34a_100000185738_100020610796 [0,1,0,0,0,0|2,0,0]=3 1229 B12R1.264 O=C([O-])C(F)OCc1ccco1 34a_100000210059_100020610796 [0,1,0,0,0,0|1,1,0]=3 1230 B12R1.264 O=C([O-])C(F)OCc1cccs1 34a_100000211240_100020610796 [0,1,0,0,0,0|1,2,0]=4 1231 B12R1.264 O=C([O-])C(F)OCc1ccno1 34a_100000740478_100020610796 [0,1,0,0,0,0|2,1,0]=4 1232 B12R1.264 O=C([O-])C(F)OCc1ncco1 34a_100000062594_100020610796 [0,1,0,0,0,0|2,1,0]=4 1233 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100000707719_100020610796 [0,1,0,0,0,0|3,0,0]=4 1234 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100020610796_100000707719 [0,1,0,0,0,0|3,0,0]=4 1235 B12R1.264 O=C([O-])C(F)SCc1ccn[nH]1 62a_100000728653_100020610796 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.264 O=C([O-])C(F)SCc1ccn[nH]1 62a_100020610796_100000728653 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.264 O=C([O-])C(F)SCc1ccon1 62a_100000234950_100020610796 [0,1,0,0,0,0|3,0,0]=4 1238 B12R1.264 O=C([O-])C(F)SCc1ccon1 62a_100020610796_100000234950 [0,1,0,0,0,0|3,0,0]=4 1239 B12R1.264 O=C([O-])C(F)SCc1ccsc1 62a_100011261437_100020610796 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.264 O=C([O-])C(F)SCc1ccsc1 62a_100020610796_100011233845 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100015185245_100020610796 [0,1,0,0,0,0|2,1,0]=4 1242 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100020610796_100015185245 [0,1,0,0,0,0|2,1,0]=4 1243 B12R1.264 O=C([O-])C(F)SCc1cscn1 62a_100000205941_100020610796 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.264 O=C([O-])C(F)SCc1cscn1 62a_100020610796_100000205941 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.264 O=C([O-])C(F)SCc1ncc[nH]1 62a_100016991755_100020610796 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.264 O=C([O-])C(F)SCc1ncc[nH]1 62a_100020610796_100016991755 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.264 O=C([O-])C(F)SCc1ncco1 62a_100020610796_103436540062 [0,1,0,0,0,0|2,0,0]=3 1248 B12R1.264 O=C([O-])C(F)SCc1ncco1 62a_103436540062_100020610796 [0,1,0,0,0,0|2,0,0]=3 1249 B12R1.264 O=C([O-])C(F)SCc1nccs1 62a_100015184050_100020610796 [0,1,0,0,0,0|2,1,0]=4 1250 B12R1.264 O=C([O-])C(F)SCc1nccs1 62a_100020610796_100015184050 [0,1,0,0,0,0|2,1,0]=4 1251 B12R1.477 C#CC(=O)CCCc1cccs1 1458a_100000211873_100010992444 [0,1,0,0,0,0|1,1,1]=4 1252 B12R1.477 C=C(C#N)CNCc1ccco1 2230a_100000185738_100000694840 [0,1,0,0,0,0|2,0,1]=4 1253 B12R1.477 C=C(C#N)CNCc1ccco1 34a_100000185738_100000694840 [0,1,0,0,0,0|2,0,1]=4 1254 B12R1.477 C=C(C#N)COCc1ccco1 34a_100000210059_100000694840 [0,1,0,0,0,0|1,1,1]=4 1255 B12R1.477 C=C(C#N)CSCc1ncco1 62a_103436540062_100000694840 [0,1,0,0,0,0|2,0,1]=4 1256 B12R1.477 C=CC(=O)CCCc1cccs1 1458a_100000185746_100010992444 [0,1,0,0,0,0|1,1,1]=4 1257 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,1,0,0,0,0|2,0,1]=4 1258 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,1,0,0,0,0|2,0,1]=4 1259 B12R1.477 CC(CO)CNCc1ccco1 207a_100000744482_100000186105 [0,1,0,0,0,0|1,0,2]=4 1260 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,1,0,0,0,0|1,1,0]=3 1261 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,1,0,0,0,0|1,1,0]=3 1262 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000210414_200009814367 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000691410_100000210202 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000210414_100000739983 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000742828_100000210202 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.477 CCC(=O)COCc1c[nH]cn1 34a_100000725409_100000707719 [0,1,0,0,0,0|2,1,0]=4 1267 B12R1.477 CCC(=O)COCc1ccn[nH]1 34a_100000725409_100000728653 [0,1,0,0,0,0|2,1,0]=4 1268 B12R1.477 CCC(=O)COCc1ccon1 34a_100000725409_100000234950 [0,1,0,0,0,0|2,1,0]=4 1269 B12R1.477 CCC(=O)COCc1ccsc1 34a_100000725409_100011261437 [0,1,0,0,0,0|2,1,0]=4 1270 B12R1.477 CCC(=O)COCc1cncs1 34a_100000725409_100015185245 [0,1,0,0,0,0|1,2,0]=4 1271 B12R1.477 CCC(=O)COCc1cscn1 34a_100000725409_100000205941 [0,1,0,0,0,0|2,1,0]=4 1272 B12R1.477 CCC(=O)COCc1ncc[nH]1 34a_100000725409_100016991755 [0,1,0,0,0,0|2,1,0]=4 1273 B12R1.477 CCC(=O)COCc1ncco1 34a_100000725409_103436540062 [0,1,0,0,0,0|1,1,0]=3 1274 B12R1.477 CCC(=O)COCc1nccs1 34a_100000725409_100015184050 [0,1,0,0,0,0|1,2,0]=4 1275 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747405 [0,1,0,0,0,0|2,0,0]=3 1276 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000747405_100000707719 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.477 CCC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747405 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.477 CCC(=O)CSCc1ccn[nH]1 62a_100000747405_100000728653 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.477 CCC(=O)CSCc1ccon1 62a_100000234950_100000747405 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.477 CCC(=O)CSCc1ccon1 62a_100000747405_100000234950 [0,1,0,0,0,0|2,0,0]=3 1281 B12R1.477 CCC(=O)CSCc1ccsc1 62a_100000747405_100011233845 [0,1,0,0,0,0|2,0,0]=3 1282 B12R1.477 CCC(=O)CSCc1ccsc1 62a_100011261437_100000747405 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.477 CCC(=O)CSCc1cncs1 62a_100000747405_100015185245 [0,1,0,0,0,0|1,1,0]=3 1284 B12R1.477 CCC(=O)CSCc1cncs1 62a_100015185245_100000747405 [0,1,0,0,0,0|1,1,0]=3 1285 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000205941_100000747405 [0,1,0,0,0,0|2,0,0]=3 1286 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000747405_100000205941 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.477 CCC(=O)CSCc1ncc[nH]1 62a_100000747405_100016991755 [0,1,0,0,0,0|2,0,0]=3 1288 B12R1.477 CCC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747405 [0,1,0,0,0,0|2,0,0]=3 1289 B12R1.477 CCC(=O)CSCc1ncco1 62a_100000747405_103436540062 [0,1,0,0,0,0|1,0,0]=2 1290 B12R1.477 CCC(=O)CSCc1ncco1 62a_103436540062_100000747405 [0,1,0,0,0,0|1,0,0]=2 1291 B12R1.477 CCC(=O)CSCc1nccs1 62a_100000747405_100015184050 [0,1,0,0,0,0|1,1,0]=3 1292 B12R1.477 CCC(=O)CSCc1nccs1 62a_100015184050_100000747405 [0,1,0,0,0,0|1,1,0]=3 1293 B12R1.477 CCC(=O)CSCc1ncon1 62a_100000233494_100000747405 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.477 CCC(=O)CSCc1ncon1 62a_100000747405_100000233494 [0,1,0,0,0,0|3,0,0]=4 1295 B12R1.477 CCC(=O)CSCn1cncn1 62a_100000747405_200020645497 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.477 CCC(=O)CSCn1cncn1 62a_200020645497_100000747405 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 1298 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 1299 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,1,0,0,0,0|2,1,0]=4 1302 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,1,0,0,0,0|2,1,0]=4 1303 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,1,0,0,0,0|2,1,0]=4 1304 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,1,0,0,0,0|2,1,0]=4 1305 B12R1.477 CCC(=O)NN=Cc1ccco1 4a_100000183195_100000186105 [0,1,0,0,0,0|2,0,1]=4 1306 B12R1.477 CCC(C)CNCc1ccco1 207a_100020588543_100000186105 [0,1,0,0,0,0|2,0,1]=4 1307 B12R1.477 CCC(C)CNCc1ccco1 2230a_100000185738_100000748023 [0,1,0,0,0,0|2,0,1]=4 1308 B12R1.477 CCC(C)CNCc1ccco1 270004a_100000185738_100000243153 [0,1,0,0,0,0|2,0,1]=4 1309 B12R1.477 CCC(C)CNCc1ccco1 270004a_100020588543_100000186105 [0,1,0,0,0,0|2,0,1]=4 1310 B12R1.477 CCC(C)CNCc1ccco1 34a_100000185738_100000748023 [0,1,0,0,0,0|2,0,1]=4 1311 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [0,1,0,0,0,0|1,1,1]=4 1312 B12R1.477 CCC(C)CSCc1ncco1 62a_100000748023_103436540062 [0,1,0,0,0,0|2,0,1]=4 1313 B12R1.477 CCC(C)CSCc1ncco1 62a_103436540062_100000748023 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.477 CCC(O)CNCc1ccco1 207a_100011218483_100000186105 [0,1,0,0,0,0|1,0,2]=4 1315 B12R1.477 CCC(O)CNCc1ccco1 2230a_100000185738_100011218378 [0,1,0,0,0,0|1,0,2]=4 1316 B12R1.477 CCC(O)CNCc1ccco1 270004a_100011218483_100000186105 [0,1,0,0,0,0|1,0,2]=4 1317 B12R1.477 CCC(O)CNCc1ccco1 34a_100000185738_100011218378 [0,1,0,0,0,0|1,0,2]=4 1318 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [0,1,0,0,0,0|0,1,2]=4 1319 B12R1.477 CCC(O)CSCc1ncco1 62a_100011218378_103436540062 [0,1,0,0,0,0|1,0,2]=4 1320 B12R1.477 CCC(O)CSCc1ncco1 62a_103436540062_100011218378 [0,1,0,0,0,0|1,0,2]=4 1321 B12R1.477 CC[C@H](C)CNCc1ccco1 2230a_100000185738_100009816398 [0,1,0,0,0,0|2,0,1]=4 1322 B12R1.477 CC[C@H](C)CNCc1ccco1 34a_100000185738_100009816398 [0,1,0,0,0,0|2,0,1]=4 1323 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [0,1,0,0,0,0|1,1,1]=4 1324 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_100009816398_103436540062 [0,1,0,0,0,0|2,0,1]=4 1325 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_103436540062_100009816398 [0,1,0,0,0,0|2,0,1]=4 1326 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,1,0,0,0,0|1,1,0]=3 1327 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,1,0,0,0,0|1,1,0]=3 1328 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,1,0,0,0,0|1,1,0]=3 1329 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,1,0,0,0,0|1,1,0]=3 1330 B12R1.477 CNC(=O)CCCn1cccc1 11a_106832991635_100000691410 [0,1,0,0,0,0|3,0,0]=4 1331 B12R1.477 CNC(=O)CCCn1cccc1 1626a_100102657272_100000691410 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.477 CNC(=O)CCCn1cccc1 527a_100102657272_100000691410 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.477 CNC(=O)CCCn1cccn1 11a_106832991635_100000742828 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.477 CNC(=O)CCCn1cccn1 1626a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.477 CNC(=O)CCCn1cccn1 240690a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.477 CNC(=O)CCCn1cccn1 527a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,1,0,0,0,0|2,0,0]=3 1338 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,1,0,0,0,0|2,0,0]=3 1339 B12R1.477 CNC(=O)CCSc1cccs1 62a_100000737683_100011215356 [0,1,0,0,0,0|2,1,0]=4 1340 B12R1.477 CNC(=O)CCSc1cccs1 62a_100011215356_100000737683 [0,1,0,0,0,0|2,1,0]=4 1341 B12R1.477 CNC(=O)CCSc1cnco1 62a_100000737683_100020591547 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.477 CNC(=O)CCSc1cnco1 62a_100020591547_100000737683 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.477 CNC(=O)CCSc1ncco1 62a_100000737683_100011787736 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.477 CNC(=O)CCSc1ncco1 62a_100011787736_100000737683 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.477 CNC(=O)CNCc1c[nH]cn1 2230a_100000693194_100000707719 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.477 CNC(=O)CNCc1cc[nH]n1 207a_100000693194_100000738523 [0,1,0,0,0,0|3,0,0]=4 1347 B12R1.477 CNC(=O)CNCc1cc[nH]n1 270004a_100000693194_100000738523 [0,1,0,0,0,0|3,0,0]=4 1348 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,1,0,0,0,0|1,0,0]=2 1349 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,1,0,0,0,0|1,0,0]=2 1350 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,1,0,0,0,0|1,0,0]=2 1351 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,1,0,0,0,0|1,0,0]=2 1352 B12R1.477 CNC(=O)CNCc1cccs1 207a_100000693194_100000209959 [0,1,0,0,0,0|1,1,0]=3 1353 B12R1.477 CNC(=O)CNCc1cccs1 2230a_100000211653_100000183359 [0,1,0,0,0,0|1,1,0]=3 1354 B12R1.477 CNC(=O)CNCc1cccs1 270004a_100000693194_100000209959 [0,1,0,0,0,0|1,1,0]=3 1355 B12R1.477 CNC(=O)CNCc1ccn[nH]1 2230a_100000693194_100000728653 [0,1,0,0,0,0|3,0,0]=4 1356 B12R1.477 CNC(=O)CNCc1ccoc1 207a_100000693194_100011215517 [0,1,0,0,0,0|3,0,0]=4 1357 B12R1.477 CNC(=O)CNCc1ccoc1 2230a_100015206860_100000183359 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.477 CNC(=O)CNCc1ccoc1 270004a_100000693194_100011215517 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.477 CNC(=O)CNCc1ccoc1 34a_100015206860_100000183359 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.477 CNC(=O)CNCc1ccon1 2230a_100000693194_100000234950 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.477 CNC(=O)CNCc1ccsc1 207a_100000693194_100000188534 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.477 CNC(=O)CNCc1ccsc1 2230a_100000186416_100000183359 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.477 CNC(=O)CNCc1ccsc1 2230a_100000693194_100011261437 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.477 CNC(=O)CNCc1ccsc1 270004a_100000693194_100000188534 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.477 CNC(=O)CNCc1ccsc1 34a_100000186416_100000183359 [0,1,0,0,0,0|3,0,0]=4 1366 B12R1.477 CNC(=O)CNCc1cnc[nH]1 207a_100000693194_100000742939 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.477 CNC(=O)CNCc1cnco1 270004a_100000693194_100000064291 [0,1,0,0,0,0|2,0,0]=3 1368 B12R1.477 CNC(=O)CNCc1cncs1 207a_100000693194_100000749870 [0,1,0,0,0,0|2,1,0]=4 1369 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100000693194_100015185245 [0,1,0,0,0,0|2,1,0]=4 1370 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100016987365_100000183359 [0,1,0,0,0,0|2,1,0]=4 1371 B12R1.477 CNC(=O)CNCc1cncs1 270004a_100000693194_100000749870 [0,1,0,0,0,0|2,1,0]=4 1372 B12R1.477 CNC(=O)CNCc1cocn1 270004a_100000693194_100000050382 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.477 CNC(=O)CNCc1cscn1 207a_100000693194_100000743575 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100000693194_100000205941 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100015185402_100000183359 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.477 CNC(=O)CNCc1cscn1 270004a_100000693194_100000743575 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.477 CNC(=O)CNCc1ncc[nH]1 207a_100000693194_100000743867 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.477 CNC(=O)CNCc1ncc[nH]1 2230a_100000693194_100016991755 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100000693194_103436540062 [0,1,0,0,0,0|2,0,0]=3 1380 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100016994969_100000183359 [0,1,0,0,0,0|2,0,0]=3 1381 B12R1.477 CNC(=O)CNCc1ncco1 270004a_100000693194_100000064290 [0,1,0,0,0,0|2,0,0]=3 1382 B12R1.477 CNC(=O)CNCc1nccs1 207a_100000693194_100000750902 [0,1,0,0,0,0|2,1,0]=4 1383 B12R1.477 CNC(=O)CNCc1nccs1 2230a_100000693194_100015184050 [0,1,0,0,0,0|2,1,0]=4 1384 B12R1.477 CNC(=O)CNCc1nccs1 2230a_100000740555_100000183359 [0,1,0,0,0,0|2,1,0]=4 1385 B12R1.477 CNC(=O)CNCc1nccs1 270004a_100000693194_100000750902 [0,1,0,0,0,0|2,1,0]=4 1386 B12R1.477 CNC(=O)COCc1c[nH]cn1 34a_100000750040_100000707719 [0,1,0,0,0,0|2,1,0]=4 1387 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,1,0,0,0,0|0,1,0]=2 1388 B12R1.477 CNC(=O)COCc1cccs1 34a_100000211240_100000183359 [0,1,0,0,0,0|0,2,0]=3 1389 B12R1.477 CNC(=O)COCc1ccn[nH]1 34a_100000750040_100000728653 [0,1,0,0,0,0|2,1,0]=4 1390 B12R1.477 CNC(=O)COCc1ccno1 34a_100000740478_100000183359 [0,1,0,0,0,0|1,1,0]=3 1391 B12R1.477 CNC(=O)COCc1ccoc1 34a_100011215357_100000183359 [0,1,0,0,0,0|2,1,0]=4 1392 B12R1.477 CNC(=O)COCc1ccon1 34a_100000750040_100000234950 [0,1,0,0,0,0|2,1,0]=4 1393 B12R1.477 CNC(=O)COCc1ccsc1 34a_100000750040_100011261437 [0,1,0,0,0,0|2,1,0]=4 1394 B12R1.477 CNC(=O)COCc1ccsc1 34a_100011215551_100000183359 [0,1,0,0,0,0|2,1,0]=4 1395 B12R1.477 CNC(=O)COCc1cncs1 34a_100000750040_100015185245 [0,1,0,0,0,0|1,2,0]=4 1396 B12R1.477 CNC(=O)COCc1cscn1 34a_100000750040_100000205941 [0,1,0,0,0,0|2,1,0]=4 1397 B12R1.477 CNC(=O)COCc1ncc[nH]1 34a_100000750040_100016991755 [0,1,0,0,0,0|2,1,0]=4 1398 B12R1.477 CNC(=O)COCc1ncco1 34a_100000062594_100000183359 [0,1,0,0,0,0|1,1,0]=3 1399 B12R1.477 CNC(=O)COCc1ncco1 34a_100000750040_103436540062 [0,1,0,0,0,0|1,1,0]=3 1400 B12R1.477 CNC(=O)COCc1nccs1 34a_100000750040_100015184050 [0,1,0,0,0,0|1,2,0]=4 1401 B12R1.477 CNC(=O)COCn1cccn1 34a_100000731028_100000183359 [0,1,0,0,0,0|2,1,0]=4 1402 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000183359_100000707719 [0,1,0,0,0,0|2,0,0]=3 1403 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183359 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.477 CNC(=O)CSCc1ccn[nH]1 62a_100000183359_100000728653 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.477 CNC(=O)CSCc1ccn[nH]1 62a_100000728653_100000183359 [0,1,0,0,0,0|2,0,0]=3 1406 B12R1.477 CNC(=O)CSCc1ccon1 62a_100000183359_100000234950 [0,1,0,0,0,0|2,0,0]=3 1407 B12R1.477 CNC(=O)CSCc1ccon1 62a_100000234950_100000183359 [0,1,0,0,0,0|2,0,0]=3 1408 B12R1.477 CNC(=O)CSCc1ccsc1 62a_100000183359_100011233845 [0,1,0,0,0,0|2,0,0]=3 1409 B12R1.477 CNC(=O)CSCc1ccsc1 62a_100011261437_100000183359 [0,1,0,0,0,0|2,0,0]=3 1410 B12R1.477 CNC(=O)CSCc1cncs1 62a_100000183359_100015185245 [0,1,0,0,0,0|1,1,0]=3 1411 B12R1.477 CNC(=O)CSCc1cncs1 62a_100015185245_100000183359 [0,1,0,0,0,0|1,1,0]=3 1412 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000183359_100000205941 [0,1,0,0,0,0|2,0,0]=3 1413 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000205941_100000183359 [0,1,0,0,0,0|2,0,0]=3 1414 B12R1.477 CNC(=O)CSCc1ncc[nH]1 62a_100000183359_100016991755 [0,1,0,0,0,0|2,0,0]=3 1415 B12R1.477 CNC(=O)CSCc1ncc[nH]1 62a_100016991755_100000183359 [0,1,0,0,0,0|2,0,0]=3 1416 B12R1.477 CNC(=O)CSCc1ncco1 62a_100000183359_103436540062 [0,1,0,0,0,0|1,0,0]=2 1417 B12R1.477 CNC(=O)CSCc1ncco1 62a_103436540062_100000183359 [0,1,0,0,0,0|1,0,0]=2 1418 B12R1.477 CNC(=O)CSCc1nccs1 62a_100000183359_100015184050 [0,1,0,0,0,0|1,1,0]=3 1419 B12R1.477 CNC(=O)CSCc1nccs1 62a_100015184050_100000183359 [0,1,0,0,0,0|1,1,0]=3 1420 B12R1.477 CNC(=O)CSCc1ncon1 62a_100000183359_100000233494 [0,1,0,0,0,0|3,0,0]=4 1421 B12R1.477 CNC(=O)CSCc1ncon1 62a_100000233494_100000183359 [0,1,0,0,0,0|3,0,0]=4 1422 B12R1.477 CNC(=O)CSCn1cncn1 62a_100000183359_200020645497 [0,1,0,0,0,0|3,0,0]=4 1423 B12R1.477 CNC(=O)CSCn1cncn1 62a_200020645497_100000183359 [0,1,0,0,0,0|3,0,0]=4 1424 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,1,0,0,0,0|2,0,0]=3 1425 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,1,0,0,0,0|2,0,0]=3 1426 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,1,0,0,0,0|2,0,0]=3 1427 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,1,0,0,0,0|2,0,0]=3 1428 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [0,1,0,0,0,0|2,1,0]=4 1430 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [0,1,0,0,0,0|2,1,0]=4 1431 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [0,1,0,0,0,0|2,1,0]=4 1432 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [0,1,0,0,0,0|2,1,0]=4 1433 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [0,1,0,0,0,0|2,1,0]=4 1434 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [0,1,0,0,0,0|2,1,0]=4 1435 B12R1.477 CNC(C)CSCc1ccco1 270004a_106832991635_200000149978 [0,1,0,0,0,0|1,0,1]=3 1436 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,0,0|2,0,0]=3 1437 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,0,0|2,0,0]=3 1438 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,0,0|2,1,0]=4 1439 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,0,0|2,1,0]=4 1440 B12R1.477 COC(=O)CCSc1cnco1 62a_100000204255_100020591547 [0,1,0,0,0,0|3,0,0]=4 1441 B12R1.477 COC(=O)CCSc1cnco1 62a_100020591547_100000204255 [0,1,0,0,0,0|3,0,0]=4 1442 B12R1.477 COC(=O)CCSc1ncco1 62a_100000204255_100011787736 [0,1,0,0,0,0|3,0,0]=4 1443 B12R1.477 COC(=O)CCSc1ncco1 62a_100011787736_100000204255 [0,1,0,0,0,0|3,0,0]=4 1444 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,0,0|1,0,0]=2 1445 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,0,0|1,0,0]=2 1446 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,1,0,0,0,0|1,1,0]=3 1447 B12R1.477 COC(=O)CNCc1ccoc1 2230a_100015206860_100000747449 [0,1,0,0,0,0|3,0,0]=4 1448 B12R1.477 COC(=O)CNCc1ccoc1 34a_100015206860_100000747449 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.477 COC(=O)CNCc1ccsc1 2230a_100000186416_100000747449 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.477 COC(=O)CNCc1ccsc1 34a_100000186416_100000747449 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [0,1,0,0,0,0|2,1,0]=4 1452 B12R1.477 COC(=O)CNCc1cscn1 2230a_100015185402_100000747449 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.477 COC(=O)CNCc1ncco1 2230a_100016994969_100000747449 [0,1,0,0,0,0|2,0,0]=3 1454 B12R1.477 COC(=O)CNCc1nccs1 2230a_100000740555_100000747449 [0,1,0,0,0,0|2,1,0]=4 1455 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,0,0|0,1,0]=2 1456 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,1,0,0,0,0|0,2,0]=3 1457 B12R1.477 COC(=O)COCc1ccno1 34a_100000740478_100000747449 [0,1,0,0,0,0|1,1,0]=3 1458 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,1,0,0,0,0|2,1,0]=4 1459 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,1,0,0,0,0|2,1,0]=4 1460 B12R1.477 COC(=O)COCc1ncco1 34a_100000062594_100000747449 [0,1,0,0,0,0|1,1,0]=3 1461 B12R1.477 COC(=O)COCn1cccn1 34a_100000731028_100000747449 [0,1,0,0,0,0|2,1,0]=4 1462 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,1,0,0,0,0|2,0,0]=3 1464 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747449 [0,1,0,0,0,0|2,0,0]=3 1465 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000747449_100000728653 [0,1,0,0,0,0|2,0,0]=3 1466 B12R1.477 COC(=O)CSCc1ccon1 62a_100000234950_100000747449 [0,1,0,0,0,0|2,0,0]=3 1467 B12R1.477 COC(=O)CSCc1ccon1 62a_100000747449_100000234950 [0,1,0,0,0,0|2,0,0]=3 1468 B12R1.477 COC(=O)CSCc1ccsc1 62a_100000747449_100011233845 [0,1,0,0,0,0|2,0,0]=3 1469 B12R1.477 COC(=O)CSCc1ccsc1 62a_100011261437_100000747449 [0,1,0,0,0,0|2,0,0]=3 1470 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [0,1,0,0,0,0|1,1,0]=3 1471 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [0,1,0,0,0,0|1,1,0]=3 1472 B12R1.477 COC(=O)CSCc1cscn1 62a_100000205941_100000747449 [0,1,0,0,0,0|2,0,0]=3 1473 B12R1.477 COC(=O)CSCc1cscn1 62a_100000747449_100000205941 [0,1,0,0,0,0|2,0,0]=3 1474 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100000747449_100016991755 [0,1,0,0,0,0|2,0,0]=3 1475 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747449 [0,1,0,0,0,0|2,0,0]=3 1476 B12R1.477 COC(=O)CSCc1ncco1 62a_100000747449_103436540062 [0,1,0,0,0,0|1,0,0]=2 1477 B12R1.477 COC(=O)CSCc1ncco1 62a_103436540062_100000747449 [0,1,0,0,0,0|1,0,0]=2 1478 B12R1.477 COC(=O)CSCc1nccs1 62a_100000747449_100015184050 [0,1,0,0,0,0|1,1,0]=3 1479 B12R1.477 COC(=O)CSCc1nccs1 62a_100015184050_100000747449 [0,1,0,0,0,0|1,1,0]=3 1480 B12R1.477 COC(=O)CSCc1ncon1 62a_100000233494_100000747449 [0,1,0,0,0,0|3,0,0]=4 1481 B12R1.477 COC(=O)CSCc1ncon1 62a_100000747449_100000233494 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.477 COC(=O)CSCn1cncn1 62a_100000747449_200020645497 [0,1,0,0,0,0|3,0,0]=4 1483 B12R1.477 COC(=O)CSCn1cncn1 62a_200020645497_100000747449 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.477 COC(=O)OCSc1ccco1 62a_100009814098_100000139417 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.477 CO[C@H](C)CNCc1ccco1 207a_100020591295_100000186105 [0,1,0,0,0,0|1,0,2]=4 1486 B12R1.477 CO[C@H](C)CNCc1ccco1 270004a_100020591295_100000186105 [0,1,0,0,0,0|1,0,2]=4 1487 B12R1.477 C[C@@H](CO)CNCc1ccco1 2230a_100000185738_100000059175 [0,1,0,0,0,0|1,0,2]=4 1488 B12R1.477 C[C@@H](CO)CNCc1ccco1 34a_100000185738_100000059175 [0,1,0,0,0,0|1,0,2]=4 1489 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [0,1,0,0,0,0|0,1,2]=4 1490 B12R1.477 C[C@@H](CO)CSCc1ncco1 62a_100000059175_103436540062 [0,1,0,0,0,0|1,0,2]=4 1491 B12R1.477 C[C@@H](CO)CSCc1ncco1 62a_103436540062_100000059175 [0,1,0,0,0,0|1,0,2]=4 1492 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,1,0,0,0,0|1,1,0]=3 1493 B12R1.477 O=C(CF)CCCn1cccc1 1458a_100000691410_100015361967 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.477 O=C(CF)CCCn1cccn1 1458a_100000742828_100015361967 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,0,0|1,1,0]=3 1496 B12R1.477 O=C(CO)CCCn1cccc1 1458a_100000210174_200009814367 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.477 O=C(CO)CCCn1cccn1 1458a_100000210174_100000739983 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,0|2,0,0]=3 1499 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,0|2,0,0]=3 1500 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,0,0|2,1,0]=4 1501 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,0,0|2,1,0]=4 1502 B12R1.477 OCC(O)CNCc1ccco1 2230a_100000185738_100011219619 [0,1,0,0,0,0|1,0,2]=4 1503 B12R1.477 OCC(O)CNCc1ccco1 34a_100000185738_100011219619 [0,1,0,0,0,0|1,0,2]=4 1504 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [0,1,0,0,0,0|0,1,2]=4 1505 B12R1.477 OCC(O)CSCc1ncco1 62a_100011219619_103436540062 [0,1,0,0,0,0|1,0,2]=4 1506 B12R1.477 OCC(O)CSCc1ncco1 62a_103436540062_100011219619 [0,1,0,0,0,0|1,0,2]=4 1507 B12R1.477 OC[C@@H](O)CNCc1ccco1 207a_100020644852_100000186105 [0,1,0,0,0,0|1,0,2]=4 1508 B12R1.477 OC[C@H](F)CNCc1ccco1 207a_100015665980_100000186105 [0,1,0,0,0,0|2,0,1]=4 1509 B12R1.477 OC[C@H](F)CNCc1ccco1 270004a_100015665980_100000186105 [0,1,0,0,0,0|2,0,1]=4 1510 B12R1.477 OC[C@H](O)CNCc1ccco1 2230a_100000185738_100009815848 [0,1,0,0,0,0|1,0,2]=4 1511 B12R1.477 OC[C@H](O)CNCc1ccco1 34a_100000185738_100009815848 [0,1,0,0,0,0|1,0,2]=4 1512 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [0,1,0,0,0,0|0,1,2]=4 1513 B12R1.477 OC[C@H](O)CSCc1ncco1 62a_100009815848_103436540062 [0,1,0,0,0,0|1,0,2]=4 1514 B12R1.477 OC[C@H](O)CSCc1ncco1 62a_103436540062_100009815848 [0,1,0,0,0,0|1,0,2]=4 1515 B12R1.477 O[C@@H](CF)CNCc1ccco1 2230a_100000185738_100015614560 [0,1,0,0,0,0|1,0,2]=4 1516 B12R1.477 O[C@@H](CF)CNCc1ccco1 34a_100000185738_100015614560 [0,1,0,0,0,0|1,0,2]=4 1517 B12R1.477 O[C@@H](CF)COCc1ccco1 34a_100000210059_100015614560 [0,1,0,0,0,0|0,1,2]=4 1518 B12R1.477 O[C@@H](CF)CSCc1ncco1 62a_100015614560_103436540062 [0,1,0,0,0,0|1,0,2]=4 1519 B12R1.477 O[C@@H](CF)CSCc1ncco1 62a_103436540062_100015614560 [0,1,0,0,0,0|1,0,2]=4 1520 B12R1.890 CC(C)(C)CNCc1ccco1 207a_100000743828_100000186105 [0,1,0,0,0,0|2,0,1]=4 1521 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000185738_100011204126 [0,1,0,0,0,0|2,0,1]=4 1522 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000743828_100000186105 [0,1,0,0,0,0|2,0,1]=4 1523 B12R1.890 CC(C)(C)CNCc1ccco1 34a_100000185738_100011219605 [0,1,0,0,0,0|2,0,1]=4 1524 B12R1.890 CC(C)(C)COCc1ccco1 34a_100000210059_100011219605 [0,1,0,0,0,0|1,1,1]=4 1525 B12R1.890 CC(C)(C)CSCc1ncco1 62a_100011219605_103436540062 [0,1,0,0,0,0|2,0,1]=4 1526 B12R1.890 CC(C)(C)CSCc1ncco1 62a_103436540062_100011219605 [0,1,0,0,0,0|2,0,1]=4 1527 B12R1.890 CC(C)(F)CNCc1ccco1 207a_100020643315_100000186105 [0,1,0,0,0,0|2,0,1]=4 1528 B12R1.890 CC(C)(F)CNCc1ccco1 270004a_100020643315_100000186105 [0,1,0,0,0,0|2,0,1]=4 1529 B12R1.890 CC(C)(F)CNCc1ccco1 34a_100000185738_100011997219 [0,1,0,0,0,0|2,0,1]=4 1530 B12R1.890 CC(C)(F)COCc1ccco1 34a_100000210059_100011997219 [0,1,0,0,0,0|1,1,1]=4 1531 B12R1.890 CC(C)(F)CSCc1ncco1 62a_100011997219_103436540062 [0,1,0,0,0,0|2,0,1]=4 1532 B12R1.890 CC(C)(F)CSCc1ncco1 62a_103436540062_100011997219 [0,1,0,0,0,0|2,0,1]=4 1533 B12R1.890 CC(C)(O)CNCc1ccco1 207a_100000751335_100000186105 [0,1,0,0,0,0|1,0,2]=4 1534 B12R1.890 CC(C)(O)CNCc1ccco1 270004a_100000751335_100000186105 [0,1,0,0,0,0|1,0,2]=4 1535 B12R1.890 CC(C)(O)CNCc1ccco1 34a_100000185738_100000764493 [0,1,0,0,0,0|1,0,2]=4 1536 B12R1.890 CC(C)(O)COCc1ccco1 34a_100000210059_100000764493 [0,1,0,0,0,0|0,1,2]=4 1537 B12R1.890 CC(C)(O)CSCc1ncco1 62a_100000764493_103436540062 [0,1,0,0,0,0|1,0,2]=4 1538 B12R1.890 CC(C)(O)CSCc1ncco1 62a_103436540062_100000764493 [0,1,0,0,0,0|1,0,2]=4 1539 B12R1.890 CC(F)(F)CNCc1ccco1 207a_100000731000_100000186105 [0,1,0,0,0,0|2,0,1]=4 1540 B12R1.890 CC(F)(F)CNCc1ccco1 270004a_100000731000_100000186105 [0,1,0,0,0,0|2,0,1]=4 1541 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100000731031_100009814098 [0,1,0,0,0,0|3,0,0]=4 1542 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100009814098_100000230027 [0,1,0,0,0,0|3,0,0]=4 1543 B12R1.890 CS(=O)(=O)NCCc1ccco1 40a_100000694680_100000738038 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.890 C[N+](C)(C)CSCc1ncco1 62a_103436540062_200000036245 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.890 C[N+](C)(C)CSCc1ncco1 62a_200000036245_103436540062 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.890 C[Si](C)(C)CNCc1ccco1 2230a_100000185738_100000037933 [0,1,0,0,0,0|2,1,0]=4 1547 B12R1.890 C[Si](C)(C)CSCc1ncco1 62a_100000037933_103436540062 [0,1,0,0,0,0|2,1,0]=4 1548 B12R1.890 C[Si](C)(C)CSCc1ncco1 62a_103436540062_100000037933 [0,1,0,0,0,0|2,1,0]=4 1549 B12R1.890 NS(=O)(=O)CSCc1ncco1 62a_100000741382_103436540062 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.890 NS(=O)(=O)CSCc1ncco1 62a_103436540062_100000741382 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.890 O=S(=O)([O-])CNCc1ccco1 34a_100000185738_100009817235 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.890 O=S(=O)([O-])COCc1ccco1 34a_100000210059_100009817235 [0,1,0,0,0,0|2,1,0]=4 1553 B12R1.890 O=S(=O)([O-])CSCc1ncco1 62a_100009817235_103436540062 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.890 O=S(=O)([O-])CSCc1ncco1 62a_103436540062_100009817235 [0,1,0,0,0,0|3,0,0]=4 1555 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,0,1,0,0,0|1,0,2]=4 1556 B10R0.3 C=COC(=O)CNCC(=O)N 2230a_100000711301_100000036128 [0,0,1,0,0,0|3,0,0]=4 1557 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,0,1,0,0,0|3,0,0]=4 1558 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [0,0,1,0,0,0|2,1,0]=4 1559 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,0,1,0,0,0|1,1,0]=3 1560 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [0,0,1,0,0,0|2,0,0]=3 1561 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [0,0,1,0,0,0|2,0,0]=3 1562 B10R0.3 C=COC(=O)CSCC(=C)F 62a_100000036128_100000042424 [0,0,1,0,0,0|2,0,1]=4 1563 B10R0.3 C=COC(=O)CSCC(=C)F 62a_100000042424_100000036128 [0,0,1,0,0,0|2,0,1]=4 1564 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000036128_100000747473 [0,0,1,0,0,0|2,0,0]=3 1565 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000747473_100000036128 [0,0,1,0,0,0|2,0,0]=3 1566 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100000036128_100020667443 [0,0,1,0,0,0|2,0,0]=3 1567 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100020667443_100000036128 [0,0,1,0,0,0|2,0,0]=3 1568 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,0,1,0,0,0|2,0,1]=4 1569 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,0,1,0,0,0|2,0,1]=4 1570 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,0,1,0,0,0|1,0,2]=4 1571 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,0,1,0,0,0|1,0,2]=4 1572 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,0,1,0,0,0|1,0,2]=4 1573 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,0,1,0,0,0|1,0,2]=4 1574 B10R0.3 C=COC(=O)CSC[N+](=O)[O-] 62a_100000036128_100000761209 [0,0,1,0,0,0|3,0,0]=4 1575 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,0,1,0,0,0|2,0,1]=4 1576 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,0,1,0,0,0|2,0,1]=4 1577 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,0,1,0,0,0|2,0,1]=4 1578 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,0,1,0,0,0|1,0,2]=4 1579 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,0,1,0,0,0|2,1,0]=4 1580 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,0,1,0,0,0|2,1,0]=4 1581 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,0,1,0,0,0|2,1,0]=4 1582 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,0,1,0,0,0|1,0,2]=4 1583 B12R2.6 Cc1cc(sn1)c2ccco2 271570a_100000750936_100009815735 [0,0,0,1,0,0|2,0,1]=4 1584 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000038307_100009814098 [0,0,0,1,0,0|1,0,2]=4 1585 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000750936_100009876951 [0,0,0,1,0,0|1,0,2]=4 1586 B12R2.6 Cc1csc(n1)c2ccco2 271570a_100000750936_100011291629 [0,0,0,1,0,0|1,0,2]=4 1587 B12R2.6 Cc1nsc(n1)c2ccco2 271570a_100000750936_100000709739 [0,0,0,1,0,0|2,0,1]=4 1588 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,0|1,0,2]=4 1589 B12R2.136 CC1CN(C1)Cc2ccco2 270004a_100000702820_100000186105 [0,0,0,1,0,0|2,0,1]=4 1590 B12R2.136 FC1CN(C1)Cc2ccco2 270004a_100000690557_100000186105 [0,0,0,1,0,0|2,0,1]=4 1591 B12R2.136 O=C1CC(C1)Sc2ccco2 62a_100009894365_100009814098 [0,0,0,1,0,0|2,0,0]=3 1592 B12R2.136 O=C1CC(C1)Sc2cccs2 62a_100009894365_100011215356 [0,0,0,1,0,0|2,1,0]=4 1593 B12R2.136 O=C1CC(C1)Sc2cnco2 62a_100009894365_100020591547 [0,0,0,1,0,0|3,0,0]=4 1594 B12R2.136 O=C1CC(C1)Sc2ncco2 62a_100009894365_100011787736 [0,0,0,1,0,0|3,0,0]=4 1595 B12R2.2383 c1coc(c1)CNCC2CC2 207a_100000735609_100000186105 [0,0,0,1,0,0|2,0,1]=4 1596 B12R2.2383 c1coc(c1)CNCC2CC2 2230a_100000185738_100000742324 [0,0,0,1,0,0|2,0,1]=4 1597 B12R2.2383 c1coc(c1)CNCC2CC2 270004a_100000735609_100000186105 [0,0,0,1,0,0|2,0,1]=4 1598 B12R2.2383 c1coc(c1)CNCC2CC2 34a_100000185738_100000742324 [0,0,0,1,0,0|2,0,1]=4 1599 B12R2.2383 c1coc(c1)CNCC2CO2 2230a_100000185738_100011216344 [0,0,0,1,0,0|1,0,2]=4 1600 B12R2.2383 c1coc(c1)CNCC2CO2 34a_100000185738_102125554688 [0,0,0,1,0,0|1,0,2]=4 1601 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [0,0,0,1,0,0|1,1,1]=4 1602 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [0,0,0,1,0,0|0,1,2]=4 1603 B12R2.2383 c1coc(n1)CSCC2CC2 62a_100000756562_103436540062 [0,0,0,1,0,0|2,0,1]=4 1604 B12R2.2383 c1coc(n1)CSCC2CC2 62a_103436540062_100000742324 [0,0,0,1,0,0|2,0,1]=4 1605 B12R2.2383 c1coc(n1)CSCC2CO2 62a_102125554688_103436540062 [0,0,0,1,0,0|1,0,2]=4 1606 B12R2.2383 c1coc(n1)CSCC2CO2 62a_103436540062_102125554688 [0,0,0,1,0,0|1,0,2]=4 1607 B12R2.2383 c1coc(n1)CSCC2CS2 62a_100000031435_103436540062 [0,0,0,1,0,0|1,1,1]=4 1608 B12R2.2383 c1coc(n1)CSCC2CS2 62a_103436540062_100000031435 [0,0,0,1,0,0|1,1,1]=4 1609 B12R2.2383 c1coc(n1)CSC[C@@H]2CO2 62a_100000745022_103436540062 [0,0,0,1,0,0|1,0,2]=4 1610 B12R2.2383 c1coc(n1)CSC[C@@H]2CO2 62a_103436540062_100000745022 [0,0,0,1,0,0|1,0,2]=4 1611 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000748629_100000756875 [0,0,0,0,1,0|3,0,0]=4 1612 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000756875_100000211660 [0,0,0,0,1,0|3,0,0]=4 1613 B10R1.66 C=C(C)CSc1cc[nH]n1 62a_100000062575_100000211660 [0,0,0,0,1,0|3,0,0]=4 1614 B10R1.66 C=C(C)CSc1cc[nH]n1 62a_100000748629_100000062575 [0,0,0,0,1,0|3,0,0]=4 1615 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,1,0|1,0,0]=2 1616 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,1,0|1,0,0]=2 1617 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,1,0|1,1,0]=3 1618 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,1,0|1,1,0]=3 1619 B10R1.66 C=C(C)CSc1ccoc1 62a_100000748629_100011215275 [0,0,0,0,1,0|3,0,0]=4 1620 B10R1.66 C=C(C)CSc1ccoc1 62a_100011215275_100000211660 [0,0,0,0,1,0|3,0,0]=4 1621 B10R1.66 C=C(C)CSc1ccon1 62a_100000748629_100009818083 [0,0,0,0,1,0|3,0,0]=4 1622 B10R1.66 C=C(C)CSc1ccon1 62a_100009818083_100000211660 [0,0,0,0,1,0|3,0,0]=4 1623 B10R1.66 C=C(C)CSc1ccsc1 62a_100000738268_100000211660 [0,0,0,0,1,0|3,0,0]=4 1624 B10R1.66 C=C(C)CSc1ccsc1 62a_100000748629_100000738268 [0,0,0,0,1,0|3,0,0]=4 1625 B10R1.66 C=C(C)CSc1ccsn1 62a_100000748629_100009818082 [0,0,0,0,1,0|3,0,0]=4 1626 B10R1.66 C=C(C)CSc1ccsn1 62a_100009818082_100000211660 [0,0,0,0,1,0|3,0,0]=4 1627 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,0,0,0,1,0|2,0,0]=3 1628 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,0,0,0,1,0|2,0,0]=3 1629 B10R1.66 C=C(C)CSc1cncs1 62a_100000748629_100011934649 [0,0,0,0,1,0|2,1,0]=4 1630 B10R1.66 C=C(C)CSc1cncs1 62a_100011934649_100000211660 [0,0,0,0,1,0|2,1,0]=4 1631 B10R1.66 C=C(C)CSc1cscn1 62a_100000748629_100000751502 [0,0,0,0,1,0|3,0,0]=4 1632 B10R1.66 C=C(C)CSc1cscn1 62a_100000751502_100000211660 [0,0,0,0,1,0|3,0,0]=4 1633 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100000748629_100025796157 [0,0,0,0,1,0|3,0,0]=4 1634 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100025796157_100000211660 [0,0,0,0,1,0|3,0,0]=4 1635 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,0,0,0,1,0|2,0,0]=3 1636 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,0,0,0,1,0|2,0,0]=3 1637 B10R1.66 C=C(C)CSc1nccs1 62a_100000211983_100000211660 [0,0,0,0,1,0|2,1,0]=4 1638 B10R1.66 C=C(C)CSc1nccs1 62a_100000748629_100000211983 [0,0,0,0,1,0|2,1,0]=4 1639 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,0,0,0,1,0|1,0,1]=3 1640 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,0,0,0,1,0|1,0,1]=3 1641 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,0,0,0,1,0|1,1,1]=4 1642 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,0,0,0,1,0|1,1,1]=4 1643 B10R1.66 C=C(F)CSc1cnco1 62a_100000042424_100020591547 [0,0,0,0,1,0|2,0,1]=4 1644 B10R1.66 C=C(F)CSc1cnco1 62a_100020591547_100000042424 [0,0,0,0,1,0|2,0,1]=4 1645 B10R1.66 C=C(F)CSc1ncco1 62a_100000042424_100011787736 [0,0,0,0,1,0|2,0,1]=4 1646 B10R1.66 C=C(F)CSc1ncco1 62a_100011787736_100000042424 [0,0,0,0,1,0|2,0,1]=4 1647 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,1,0|0,1,2]=4 1648 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,0,0,0,1,0|2,0,1]=4 1649 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,1,0|2,0,0]=3 1650 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,1,0|2,0,0]=3 1651 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,1,0|1,0,0]=2 1652 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,1,0|0,0,0]=1 1653 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,1,0|0,1,0]=2 1654 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,1,0|0,1,0]=2 1655 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,1,0|2,0,0]=3 1656 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [0,0,0,0,1,0|3,0,0]=4 1657 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,1,0|2,0,0]=3 1658 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,1,0|1,1,0]=3 1659 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,1,0|2,0,0]=3 1660 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,1,0|1,1,0]=3 1661 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,1,0|2,0,0]=3 1662 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,1,0|2,0,0]=3 1663 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,1,0|2,0,0]=3 1664 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,1,0|2,0,0]=3 1665 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,0,1,0|3,0,0]=4 1666 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,0,1,0|3,0,0]=4 1667 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,0,1,0|3,0,0]=4 1668 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [0,0,0,0,1,0|3,0,0]=4 1669 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [0,0,0,0,1,0|3,0,0]=4 1670 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,1,0|3,0,0]=4 1671 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,1,0|3,0,0]=4 1672 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,1,0|3,0,0]=4 1673 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,1,0|3,0,0]=4 1674 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,1,0|3,0,0]=4 1675 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,1,0|3,0,0]=4 1676 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,1,0|2,0,0]=3 1677 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,1,0|2,0,0]=3 1678 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,1,0|2,0,0]=3 1679 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,1,0|1,0,0]=2 1680 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,1,0|1,0,0]=2 1681 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,1,0|1,0,0]=2 1682 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,1,0|1,0,0]=2 1683 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,1,0|1,1,0]=3 1684 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,1,0|1,1,0]=3 1685 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,1,0|1,1,0]=3 1686 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,1,0|1,1,0]=3 1687 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,1,0|3,0,0]=4 1688 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,1,0|3,0,0]=4 1689 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,1,0|3,0,0]=4 1690 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,1,0|3,0,0]=4 1691 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,1,0|3,0,0]=4 1692 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,1,0|3,0,0]=4 1693 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,1,0|3,0,0]=4 1694 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,1,0|3,0,0]=4 1695 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,1,0|3,0,0]=4 1696 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,1,0|3,0,0]=4 1697 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,1,0|3,0,0]=4 1698 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,1,0|2,0,0]=3 1699 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,1,0|2,0,0]=3 1700 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,1,0|2,0,0]=3 1701 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,1,0|2,1,0]=4 1702 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,1,0|2,1,0]=4 1703 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,1,0|2,1,0]=4 1704 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,1,0|3,0,0]=4 1705 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,1,0|3,0,0]=4 1706 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,1,0|3,0,0]=4 1707 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,1,0|3,0,0]=4 1708 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,1,0|3,0,0]=4 1709 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,1,0|3,0,0]=4 1710 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,1,0|3,0,0]=4 1711 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,1,0|3,0,0]=4 1712 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,1,0|3,0,0]=4 1713 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,1,0|3,0,0]=4 1714 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,1,0|2,0,0]=3 1715 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,1,0|2,0,0]=3 1716 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,1,0|2,0,0]=3 1717 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,1,0|2,0,0]=3 1718 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,1,0|2,1,0]=4 1719 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,1,0|2,1,0]=4 1720 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,1,0|2,1,0]=4 1721 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,1,0|2,1,0]=4 1722 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,1,0|1,0,1]=3 1723 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,1,0|1,0,1]=3 1724 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,0,0,0,1,0|1,1,1]=4 1725 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,0,0,0,1,0|1,1,1]=4 1726 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,0,0,0,1,0|2,0,1]=4 1727 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,0,0,0,1,0|2,0,1]=4 1728 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,0,0,0,1,0|2,0,1]=4 1729 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,0,0,0,1,0|2,0,1]=4 1730 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,1,0|2,0,1]=4 1731 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,1,0|2,0,1]=4 1732 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,1,0|2,0,1]=4 1733 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,1,0|1,1,1]=4 1734 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,0,0,0,1,0|2,0,1]=4 1735 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,0,0,0,1,0|2,0,1]=4 1736 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,1,0|0,0,2]=3 1737 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,1,0|0,0,2]=3 1738 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,0,0,0,1,0|0,1,2]=4 1739 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,0,0,0,1,0|0,1,2]=4 1740 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,0,0,0,1,0|1,0,2]=4 1741 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,0,0,0,1,0|1,0,2]=4 1742 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,0,0,0,1,0|1,0,2]=4 1743 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,0,0,0,1,0|1,0,2]=4 1744 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,1,0|2,1,0]=4 1745 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,1,0|2,1,0]=4 1746 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,1,0|0,0,2]=3 1747 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,1,0|0,0,2]=3 1748 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,0,0,0,1,0|0,1,2]=4 1749 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,0,0,0,1,0|0,1,2]=4 1750 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,0,0,0,1,0|1,0,2]=4 1751 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,0,0,0,1,0|1,0,2]=4 1752 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,0,0,0,1,0|1,0,2]=4 1753 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,0,0,0,1,0|1,0,2]=4 1754 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,0,0,0,1,0|2,0,1]=4 1755 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,0,0,0,1,0|2,0,1]=4 1756 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,1,0|3,0,0]=4 1757 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,1,0|3,0,0]=4 1758 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000062575_100000747473 [0,0,0,0,1,0|3,0,0]=4 1759 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000747473_100000062575 [0,0,0,0,1,0|3,0,0]=4 1760 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,1,0|1,0,0]=2 1761 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,1,0|1,0,0]=2 1762 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,1,0|1,1,0]=3 1763 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,1,0|1,1,0]=3 1764 B10R1.66 NC(=O)CSc1ccoc1 62a_100000747473_100011215275 [0,0,0,0,1,0|3,0,0]=4 1765 B10R1.66 NC(=O)CSc1ccoc1 62a_100011215275_100000747473 [0,0,0,0,1,0|3,0,0]=4 1766 B10R1.66 NC(=O)CSc1ccon1 62a_100000747473_100009818083 [0,0,0,0,1,0|3,0,0]=4 1767 B10R1.66 NC(=O)CSc1ccon1 62a_100009818083_100000747473 [0,0,0,0,1,0|3,0,0]=4 1768 B10R1.66 NC(=O)CSc1ccsc1 62a_100000738268_100000747473 [0,0,0,0,1,0|3,0,0]=4 1769 B10R1.66 NC(=O)CSc1ccsc1 62a_100000747473_100000738268 [0,0,0,0,1,0|3,0,0]=4 1770 B10R1.66 NC(=O)CSc1ccsn1 62a_100000747473_100009818082 [0,0,0,0,1,0|3,0,0]=4 1771 B10R1.66 NC(=O)CSc1ccsn1 62a_100009818082_100000747473 [0,0,0,0,1,0|3,0,0]=4 1772 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,0,0,0,1,0|2,0,0]=3 1773 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,0,0,0,1,0|2,0,0]=3 1774 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,0,0,0,1,0|2,1,0]=4 1775 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,0,0,0,1,0|2,1,0]=4 1776 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,1,0|3,0,0]=4 1777 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,1,0|3,0,0]=4 1778 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,1,0|3,0,0]=4 1779 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,1,0|3,0,0]=4 1780 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,1,0|2,0,0]=3 1781 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,1,0|2,0,0]=3 1782 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,0,0,0,1,0|2,1,0]=4 1783 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,0,0,0,1,0|2,1,0]=4 1784 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,1,0|3,0,0]=4 1785 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,1,0|3,0,0]=4 1786 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100000062575_100020667443 [0,0,0,0,1,0|3,0,0]=4 1787 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100020667443_100000062575 [0,0,0,0,1,0|3,0,0]=4 1788 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,1,0|1,0,0]=2 1789 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,1,0|1,0,0]=2 1790 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,1,0|1,1,0]=3 1791 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,1,0|1,1,0]=3 1792 B10R1.66 O=C([O-])CSc1ccoc1 62a_100011215275_100020667443 [0,0,0,0,1,0|3,0,0]=4 1793 B10R1.66 O=C([O-])CSc1ccoc1 62a_100020667443_100011215275 [0,0,0,0,1,0|3,0,0]=4 1794 B10R1.66 O=C([O-])CSc1ccon1 62a_100009818083_100020667443 [0,0,0,0,1,0|3,0,0]=4 1795 B10R1.66 O=C([O-])CSc1ccon1 62a_100020667443_100009818083 [0,0,0,0,1,0|3,0,0]=4 1796 B10R1.66 O=C([O-])CSc1ccsc1 62a_100000738268_100020667443 [0,0,0,0,1,0|3,0,0]=4 1797 B10R1.66 O=C([O-])CSc1ccsc1 62a_100020667443_100000738268 [0,0,0,0,1,0|3,0,0]=4 1798 B10R1.66 O=C([O-])CSc1ccsn1 62a_100009818082_100020667443 [0,0,0,0,1,0|3,0,0]=4 1799 B10R1.66 O=C([O-])CSc1ccsn1 62a_100020667443_100009818082 [0,0,0,0,1,0|3,0,0]=4 1800 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,0,0,0,1,0|2,0,0]=3 1801 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,0,0,0,1,0|2,0,0]=3 1802 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [0,0,0,0,1,0|2,1,0]=4 1803 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [0,0,0,0,1,0|2,1,0]=4 1804 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,1,0|3,0,0]=4 1805 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,1,0|3,0,0]=4 1806 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,1,0|3,0,0]=4 1807 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,1,0|3,0,0]=4 1808 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,1,0|2,0,0]=3 1809 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,1,0|2,0,0]=3 1810 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [0,0,0,0,1,0|2,1,0]=4 1811 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [0,0,0,0,1,0|2,1,0]=4 1812 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,0,0,0,1,0|2,0,0]=3 1813 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [0,0,0,0,1,0|2,1,0]=4 1814 B10R1.66 O=[N+]([O-])CSc1cnco1 62a_100020591547_100000761209 [0,0,0,0,1,0|3,0,0]=4 1815 B10R1.66 O=[N+]([O-])CSc1ncco1 62a_100011787736_100000761209 [0,0,0,0,1,0|3,0,0]=4 1816 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,1,0|0,1,2]=4 1817 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,1,0|2,0,0]=3 1818 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,1,0|1,0,0]=2 1819 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,1,0|0,0,0]=1 1820 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,1,0|0,1,0]=2 1821 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,1,0|2,0,0]=3 1822 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,1,0|2,0,0]=3 1823 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,1,0|1,1,0]=3 1824 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,1,0|2,0,0]=3 1825 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,1,0|1,1,0]=3 1826 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,1,0|2,0,0]=3 1827 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,1,0|2,0,0]=3 1828 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,0,1,0|3,0,0]=4 1829 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,0,1,0|3,0,0]=4 1830 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [0,0,0,0,1,0|3,0,0]=4 1831 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,1|3,0,0]=4 1832 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.252 C=C(C)CNCc1cccnn1 2230a_100159270163_100000748629 [0,0,0,0,0,1|3,0,0]=4 1834 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,1|2,1,0]=4 1835 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,1|2,1,0]=4 1836 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,1|2,1,0]=4 1837 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,1|2,1,0]=4 1838 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,1|2,1,0]=4 1839 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,0,0,0,0,1|2,1,0]=4 1840 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,0,0,0,0,1|2,1,0]=4 1841 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,0,0,0,0,1|2,1,0]=4 1842 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,1|2,0,0]=3 1843 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,1|2,0,0]=3 1844 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,0,0,0,0,1|2,0,0]=3 1845 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,0,0,0,0,1|2,0,0]=3 1846 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,0,0,0,0,1|2,0,0]=3 1847 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,0,0,0,0,1|2,0,0]=3 1848 B12R1.252 C=C(C)CSCc1cccnn1 62a_100000748629_100016990269 [0,0,0,0,0,1|2,0,0]=3 1849 B12R1.252 C=C(C)CSCc1cccnn1 62a_100016990269_100000211660 [0,0,0,0,0,1|2,0,0]=3 1850 B12R1.252 C=C(C)CSCc1ccncc1 62a_100000748629_100015193705 [0,0,0,0,0,1|2,0,0]=3 1851 B12R1.252 C=C(C)CSCc1ccncc1 62a_100015193705_100000211660 [0,0,0,0,0,1|2,0,0]=3 1852 B12R1.252 C=C(C)CSCc1cnccn1 62a_100000748629_100016995436 [0,0,0,0,0,1|2,0,0]=3 1853 B12R1.252 C=C(C)CSCc1cnccn1 62a_100016995436_100000211660 [0,0,0,0,0,1|2,0,0]=3 1854 B12R1.252 C=C(C)CSCc1cncnc1 62a_100000748629_100015196519 [0,0,0,0,0,1|3,0,0]=4 1855 B12R1.252 C=C(C)CSCc1cncnc1 62a_100015196519_100000211660 [0,0,0,0,0,1|3,0,0]=4 1856 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000703007_100000211660 [0,0,0,0,0,1|2,0,0]=3 1857 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000748629_100000703007 [0,0,0,0,0,1|2,0,0]=3 1858 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,0,0,0,0,1|2,0,1]=4 1859 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,0,0,0,0,1|2,0,1]=4 1860 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,0,0,0,0,1|2,0,1]=4 1861 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,0,0,0,0,1|2,0,1]=4 1862 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000042424_100000741622 [0,0,0,0,0,1|2,0,1]=4 1863 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000741622_100000042424 [0,0,0,0,0,1|2,0,1]=4 1864 B12R1.252 C=C(F)CSCc1cccnn1 62a_100000042424_100016990269 [0,0,0,0,0,1|2,0,1]=4 1865 B12R1.252 C=C(F)CSCc1cccnn1 62a_100016990269_100000042424 [0,0,0,0,0,1|2,0,1]=4 1866 B12R1.252 C=C(F)CSCc1ccncc1 62a_100000042424_100015193705 [0,0,0,0,0,1|2,0,1]=4 1867 B12R1.252 C=C(F)CSCc1ccncc1 62a_100015193705_100000042424 [0,0,0,0,0,1|2,0,1]=4 1868 B12R1.252 C=C(F)CSCc1cnccn1 62a_100000042424_100016995436 [0,0,0,0,0,1|2,0,1]=4 1869 B12R1.252 C=C(F)CSCc1cnccn1 62a_100016995436_100000042424 [0,0,0,0,0,1|2,0,1]=4 1870 B12R1.252 C=C(F)CSCc1ncccn1 62a_100000042424_100000703007 [0,0,0,0,0,1|2,0,1]=4 1871 B12R1.252 C=C(F)CSCc1ncccn1 62a_100000703007_100000042424 [0,0,0,0,0,1|2,0,1]=4 1872 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,1|2,0,1]=4 1873 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,1|2,0,1]=4 1874 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,1|2,0,1]=4 1875 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|2,0,0]=3 1876 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|2,0,0]=3 1877 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,1|2,0,0]=3 1878 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,1|2,0,0]=3 1879 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,1|3,0,0]=4 1880 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,1|3,0,0]=4 1881 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,1|3,0,0]=4 1882 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,1|3,0,0]=4 1883 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,1|3,0,0]=4 1884 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,1|3,0,0]=4 1885 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,1|3,0,0]=4 1886 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,1|3,0,0]=4 1887 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,1|3,0,0]=4 1888 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,1|3,0,0]=4 1889 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,1|3,0,0]=4 1890 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,1|3,0,0]=4 1891 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,1|3,0,0]=4 1892 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,1|3,0,0]=4 1893 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,1|3,0,0]=4 1894 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,1|3,0,0]=4 1895 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,1|3,0,0]=4 1896 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,1|3,0,0]=4 1897 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,1|3,0,0]=4 1898 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,1|3,0,0]=4 1899 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,1|3,0,0]=4 1900 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,1|3,0,0]=4 1901 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|1,1,0]=3 1902 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|1,1,0]=3 1903 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,1|1,1,0]=3 1904 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,1|1,1,0]=3 1905 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,1|1,1,0]=3 1906 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,1|1,1,0]=3 1907 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,1|2,1,0]=4 1908 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,1|1,1,0]=3 1909 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,1|1,0,0]=2 1910 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,1|1,0,0]=2 1911 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,1|1,0,0]=2 1912 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|3,0,0]=4 1913 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|3,0,0]=4 1914 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|3,0,0]=4 1915 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|3,0,0]=4 1916 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 1917 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 1918 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 1919 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,1|3,0,0]=4 1920 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 1921 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 1922 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 1923 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,1|3,0,0]=4 1924 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 1925 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 1926 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 1927 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,1|3,0,0]=4 1928 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1929 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1930 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1931 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,1|3,0,0]=4 1932 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,1|3,0,0]=4 1933 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,1|3,0,0]=4 1934 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,1|3,0,0]=4 1935 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,1|3,0,0]=4 1936 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,0,0,0,0,1|2,0,1]=4 1937 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,0,0,0,0,1|2,0,1]=4 1938 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,0,0,0,0,1|2,0,1]=4 1939 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,0,0,0,0,1|2,0,1]=4 1940 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,0,0,0,0,1|2,0,1]=4 1941 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,0,0,0,0,1|2,0,1]=4 1942 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,0,0,0,0,1|2,0,1]=4 1943 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,0,0,0,0,1|2,0,1]=4 1944 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,0,0,0,0,1|2,0,1]=4 1945 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,0,0,0,0,1|2,0,1]=4 1946 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,0,0,0,0,1|2,0,1]=4 1947 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,0,0,0,0,1|2,0,1]=4 1948 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,0,0,0,0,1|2,0,1]=4 1949 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,0,0,0,0,1|2,0,1]=4 1950 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,1|1,0,2]=4 1951 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,1|1,0,2]=4 1952 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,0,0,0,1|1,0,2]=4 1953 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,0,0,0,1|1,0,2]=4 1954 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,0,0,0,0,1|1,0,2]=4 1955 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,0,0,0,0,1|1,0,2]=4 1956 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,0,0,0,0,1|1,0,2]=4 1957 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,0,0,0,0,1|1,0,2]=4 1958 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,0,0,0,0,1|1,0,2]=4 1959 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,0,0,0,0,1|1,0,2]=4 1960 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,0,0,0,0,1|1,0,2]=4 1961 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,0,0,0,0,1|1,0,2]=4 1962 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,0,0,0,0,1|1,0,2]=4 1963 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,0,0,0,0,1|1,0,2]=4 1964 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,0,0,0,0,1|3,0,0]=4 1965 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,0,0,0,0,1|3,0,0]=4 1966 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,1|1,0,2]=4 1967 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,1|1,0,2]=4 1968 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,0,0,0,1|1,0,2]=4 1969 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,0,0,0,1|1,0,2]=4 1970 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,0,0,0,0,1|1,0,2]=4 1971 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,0,0,0,0,1|1,0,2]=4 1972 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,0,0,0,0,1|1,0,2]=4 1973 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,0,0,0,0,1|1,0,2]=4 1974 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,0,0,0,0,1|1,0,2]=4 1975 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,0,0,0,0,1|1,0,2]=4 1976 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,0,0,0,0,1|1,0,2]=4 1977 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,0,0,0,0,1|1,0,2]=4 1978 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,0,0,0,0,1|1,0,2]=4 1979 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,0,0,0,0,1|1,0,2]=4 1980 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,1|3,0,0]=4 1981 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,1|3,0,0]=4 1982 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,1|3,0,0]=4 1983 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,1|3,0,0]=4 1984 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,1|3,0,0]=4 1985 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,0,0,0,0,1|3,0,0]=4 1986 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,0,0,0,0,1|3,0,0]=4 1987 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,1|3,0,0]=4 1988 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,0,0,0,0,1|3,0,0]=4 1989 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,0,0,0,0,1|3,0,0]=4 1990 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|2,1,0]=4 1991 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|2,1,0]=4 1992 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,1|2,0,0]=3 1993 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,1|2,0,0]=3 1994 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,1|2,0,0]=3 1995 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,1|2,0,0]=3 1996 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,1|2,0,0]=3 1997 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,1|2,0,0]=3 1998 B12R1.252 NC(=O)CSCc1cccnn1 62a_100000747473_100016990269 [0,0,0,0,0,1|2,0,0]=3 1999 B12R1.252 NC(=O)CSCc1cccnn1 62a_100016990269_100000747473 [0,0,0,0,0,1|2,0,0]=3 2000 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,1|2,0,0]=3 2001 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,1|2,0,0]=3 2002 B12R1.252 NC(=O)CSCc1cnccn1 62a_100000747473_100016995436 [0,0,0,0,0,1|2,0,0]=3 2003 B12R1.252 NC(=O)CSCc1cnccn1 62a_100016995436_100000747473 [0,0,0,0,0,1|2,0,0]=3 2004 B12R1.252 NC(=O)CSCc1cncnc1 62a_100000747473_100015196519 [0,0,0,0,0,1|3,0,0]=4 2005 B12R1.252 NC(=O)CSCc1cncnc1 62a_100015196519_100000747473 [0,0,0,0,0,1|3,0,0]=4 2006 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000703007_100000747473 [0,0,0,0,0,1|2,0,0]=3 2007 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000747473_100000703007 [0,0,0,0,0,1|2,0,0]=3 2008 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,1|3,0,0]=4 2009 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,1|3,0,0]=4 2010 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,1|3,0,0]=4 2011 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,1|3,0,0]=4 2012 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,1|3,0,0]=4 2013 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,1|3,0,0]=4 2014 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,1|3,0,0]=4 2015 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|3,0,0]=4 2016 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|2,1,0]=4 2017 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|2,0,0]=3 2018 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|2,0,0]=3 2019 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,1|2,0,0]=3 2020 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,1|2,0,0]=3 2021 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,1|2,0,0]=3 2022 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,1|2,0,0]=3 2023 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100016990269_100020667443 [0,0,0,0,0,1|2,0,0]=3 2024 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100020667443_100016990269 [0,0,0,0,0,1|2,0,0]=3 2025 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,1|2,0,0]=3 2026 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,1|2,0,0]=3 2027 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100016995436_100020667443 [0,0,0,0,0,1|2,0,0]=3 2028 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100020667443_100016995436 [0,0,0,0,0,1|2,0,0]=3 2029 B12R1.252 O=C([O-])CSCc1cncnc1 62a_100015196519_100020667443 [0,0,0,0,0,1|3,0,0]=4 2030 B12R1.252 O=C([O-])CSCc1cncnc1 62a_100020667443_100015196519 [0,0,0,0,0,1|3,0,0]=4 2031 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100000703007_100020667443 [0,0,0,0,0,1|2,0,0]=3 2032 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100020667443_100000703007 [0,0,0,0,0,1|2,0,0]=3 2033 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,1|3,0,0]=4 2034 B12R1.252 O=[N+]([O-])CSCc1ccccn1 62a_100000721315_100000761209 [0,0,0,0,0,1|3,0,0]=4 2035 B12R1.252 O=[N+]([O-])CSCc1cccnc1 62a_100000741622_100000761209 [0,0,0,0,0,1|3,0,0]=4 2036 B12R1.252 O=[N+]([O-])CSCc1cccnn1 62a_100016990269_100000761209 [0,0,0,0,0,1|3,0,0]=4 2037 B12R1.252 O=[N+]([O-])CSCc1ccncc1 62a_100015193705_100000761209 [0,0,0,0,0,1|3,0,0]=4 2038 B12R1.252 O=[N+]([O-])CSCc1cnccn1 62a_100016995436_100000761209 [0,0,0,0,0,1|3,0,0]=4 2039 B12R1.252 O=[N+]([O-])CSCc1ncccn1 62a_100000703007_100000761209 [0,0,0,0,0,1|3,0,0]=4 2040 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,1|2,0,1]=4 2041 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|2,0,0]=3 2042 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,1|2,0,0]=3 2043 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,1|2,0,0]=3 2044 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,1|3,0,0]=4 2045 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,1|3,0,0]=4 2046 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|1,1,0]=3 2047 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,1|1,0,0]=2 2048 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,1|1,0,0]=2 2049 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [0,0,0,0,0,1|2,0,0]=3 2050 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [0,0,0,0,0,1|2,0,0]=3 2051 B12R1.255 C=C(C)CCNCc1cccs1 2230a_100000211653_100000730704 [0,0,0,0,0,1|2,1,0]=4 2052 B12R1.255 C=C(C)CCNCc1ncco1 2230a_100016994969_100000730704 [0,0,0,0,0,1|3,0,0]=4 2053 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [0,0,0,0,0,1|1,1,0]=3 2054 B12R1.255 C=C(C)CCOCc1cccs1 34a_100000211240_100000730704 [0,0,0,0,0,1|1,2,0]=4 2055 B12R1.255 C=C(C)CCOCc1ccno1 34a_100000740478_100000730704 [0,0,0,0,0,1|2,1,0]=4 2056 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000062594_100000730704 [0,0,0,0,0,1|2,1,0]=4 2057 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000764851_103436540062 [0,0,0,0,0,1|2,1,0]=4 2058 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000707719_100000730704 [0,0,0,0,0,1|3,0,0]=4 2059 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000730704_100000707719 [0,0,0,0,0,1|3,0,0]=4 2060 B12R1.255 C=C(C)CCSCc1ccn[nH]1 62a_100000728653_100000730704 [0,0,0,0,0,1|3,0,0]=4 2061 B12R1.255 C=C(C)CCSCc1ccn[nH]1 62a_100000730704_100000728653 [0,0,0,0,0,1|3,0,0]=4 2062 B12R1.255 C=C(C)CCSCc1ccon1 62a_100000234950_100000730704 [0,0,0,0,0,1|3,0,0]=4 2063 B12R1.255 C=C(C)CCSCc1ccon1 62a_100000730704_100000234950 [0,0,0,0,0,1|3,0,0]=4 2064 B12R1.255 C=C(C)CCSCc1ccsc1 62a_100000730704_100011233845 [0,0,0,0,0,1|3,0,0]=4 2065 B12R1.255 C=C(C)CCSCc1ccsc1 62a_100011261437_100000730704 [0,0,0,0,0,1|3,0,0]=4 2066 B12R1.255 C=C(C)CCSCc1cncs1 62a_100000730704_100015185245 [0,0,0,0,0,1|2,1,0]=4 2067 B12R1.255 C=C(C)CCSCc1cncs1 62a_100015185245_100000730704 [0,0,0,0,0,1|2,1,0]=4 2068 B12R1.255 C=C(C)CCSCc1cscn1 62a_100000205941_100000730704 [0,0,0,0,0,1|3,0,0]=4 2069 B12R1.255 C=C(C)CCSCc1cscn1 62a_100000730704_100000205941 [0,0,0,0,0,1|3,0,0]=4 2070 B12R1.255 C=C(C)CCSCc1ncc[nH]1 62a_100000730704_100016991755 [0,0,0,0,0,1|3,0,0]=4 2071 B12R1.255 C=C(C)CCSCc1ncc[nH]1 62a_100016991755_100000730704 [0,0,0,0,0,1|3,0,0]=4 2072 B12R1.255 C=C(C)CCSCc1ncco1 62a_100000730704_103436540062 [0,0,0,0,0,1|2,0,0]=3 2073 B12R1.255 C=C(C)CCSCc1ncco1 62a_103436540062_100000730704 [0,0,0,0,0,1|2,0,0]=3 2074 B12R1.255 C=C(C)CCSCc1nccs1 62a_100000730704_100015184050 [0,0,0,0,0,1|2,1,0]=4 2075 B12R1.255 C=C(C)CCSCc1nccs1 62a_100015184050_100000730704 [0,0,0,0,0,1|2,1,0]=4 2076 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [0,0,0,0,0,1|2,0,0]=3 2077 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [0,0,0,0,0,1|2,0,0]=3 2078 B12R1.255 C=C(C)CNCCc1cccs1 2230a_100000203755_100000748629 [0,0,0,0,0,1|2,1,0]=4 2079 B12R1.255 C=C(C)CNCCc1cccs1 34a_100000203755_100000748629 [0,0,0,0,0,1|2,1,0]=4 2080 B12R1.255 C=C(C)COCCc1cccs1 34a_100000210245_100000748579 [0,0,0,0,0,1|1,2,0]=4 2081 B12R1.255 C=C(C)COCCc1cccs1 34a_100011216825_100000748629 [0,0,0,0,0,1|1,2,0]=4 2082 B12R1.255 C=C(C)COCCc1cccs1 7a_100011216825_100000748629 [0,0,0,0,0,1|1,2,0]=4 2083 B12R1.255 C=C(C)CSCCc1c[nH]cn1 62a_100000748629_100020628418 [0,0,0,0,0,1|3,0,0]=4 2084 B12R1.255 C=C(C)CSCCc1c[nH]cn1 62a_100020628418_100000211660 [0,0,0,0,0,1|3,0,0]=4 2085 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748579_100000211660 [0,0,0,0,0,1|1,1,0]=3 2086 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748629_100000748579 [0,0,0,0,0,1|1,1,0]=3 2087 B12R1.255 C=C(C)CSCCn1cccc1 62a_100000748629_200000035178 [0,0,0,0,0,1|3,0,0]=4 2088 B12R1.255 C=C(C)CSCCn1cccc1 62a_200009811947_100000211660 [0,0,0,0,0,1|3,0,0]=4 2089 B12R1.255 C=C(C)CSCCn1cccn1 62a_100000748629_100000685285 [0,0,0,0,0,1|3,0,0]=4 2090 B12R1.255 C=C(C)CSCCn1cccn1 62a_100015204718_100000211660 [0,0,0,0,0,1|3,0,0]=4 2091 B12R1.255 C=C(F)CNCCc1ccco1 2230a_100000694680_100009893438 [0,0,0,0,0,1|2,0,1]=4 2092 B12R1.255 C=C(F)CNCCc1ccco1 34a_100000694680_100009893438 [0,0,0,0,0,1|2,0,1]=4 2093 B12R1.255 C=C(F)CSCCc1cccs1 62a_100000042424_100000748579 [0,0,0,0,0,1|1,1,1]=4 2094 B12R1.255 C=C(F)CSCCc1cccs1 62a_100000748579_100000042424 [0,0,0,0,0,1|1,1,1]=4 2095 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,0,0,0,0,1|2,0,1]=4 2096 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,0,0,0,0,1|2,0,1]=4 2097 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,0,0,0,0,1|2,0,0]=3 2098 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,0,0,0,0,1|2,0,0]=3 2099 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,0,0,0,0,1|2,0,0]=3 2100 B12R1.255 CC(=CCNCc1cccs1)C 2230a_100000211653_100000761012 [0,0,0,0,0,1|2,1,0]=4 2101 B12R1.255 CC(=CCNCc1cccs1)C 270004a_100000718196_100000209959 [0,0,0,0,0,1|2,1,0]=4 2102 B12R1.255 CC(=CCNCc1cnco1)C 270004a_100000718196_100000064291 [0,0,0,0,0,1|3,0,0]=4 2103 B12R1.255 CC(=CCNCc1ncco1)C 2230a_100016994969_100000761012 [0,0,0,0,0,1|3,0,0]=4 2104 B12R1.255 CC(=CCNCc1ncco1)C 270004a_100000718196_100000064290 [0,0,0,0,0,1|3,0,0]=4 2105 B12R1.255 CC(=CCNCc1ncco1)C 34a_100000718196_103436540062 [0,0,0,0,0,1|3,0,0]=4 2106 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,0,0,0,0,1|1,1,0]=3 2107 B12R1.255 CC(=CCOCc1cccs1)C 34a_100000211240_100000761012 [0,0,0,0,0,1|1,2,0]=4 2108 B12R1.255 CC(=CCOCc1ccno1)C 34a_100000740478_100000761012 [0,0,0,0,0,1|2,1,0]=4 2109 B12R1.255 CC(=CCOCc1ncco1)C 34a_100000062594_100000761012 [0,0,0,0,0,1|2,1,0]=4 2110 B12R1.255 CC(=CCOCc1ncco1)C 34a_100000753907_103436540062 [0,0,0,0,0,1|2,1,0]=4 2111 B12R1.255 CC(=CCSCc1c[nH]cn1)C 62a_100000707719_100000761012 [0,0,0,0,0,1|3,0,0]=4 2112 B12R1.255 CC(=CCSCc1c[nH]cn1)C 62a_100000761012_100000707719 [0,0,0,0,0,1|3,0,0]=4 2113 B12R1.255 CC(=CCSCc1ccn[nH]1)C 62a_100000728653_100000761012 [0,0,0,0,0,1|3,0,0]=4 2114 B12R1.255 CC(=CCSCc1ccn[nH]1)C 62a_100000761012_100000728653 [0,0,0,0,0,1|3,0,0]=4 2115 B12R1.255 CC(=CCSCc1ccon1)C 62a_100000234950_100000761012 [0,0,0,0,0,1|3,0,0]=4 2116 B12R1.255 CC(=CCSCc1ccon1)C 62a_100000761012_100000234950 [0,0,0,0,0,1|3,0,0]=4 2117 B12R1.255 CC(=CCSCc1ccsc1)C 62a_100000761012_100011233845 [0,0,0,0,0,1|3,0,0]=4 2118 B12R1.255 CC(=CCSCc1ccsc1)C 62a_100011261437_100000761012 [0,0,0,0,0,1|3,0,0]=4 2119 B12R1.255 CC(=CCSCc1cncs1)C 62a_100000761012_100015185245 [0,0,0,0,0,1|2,1,0]=4 2120 B12R1.255 CC(=CCSCc1cncs1)C 62a_100015185245_100000761012 [0,0,0,0,0,1|2,1,0]=4 2121 B12R1.255 CC(=CCSCc1cscn1)C 62a_100000205941_100000761012 [0,0,0,0,0,1|3,0,0]=4 2122 B12R1.255 CC(=CCSCc1cscn1)C 62a_100000761012_100000205941 [0,0,0,0,0,1|3,0,0]=4 2123 B12R1.255 CC(=CCSCc1ncc[nH]1)C 62a_100000761012_100016991755 [0,0,0,0,0,1|3,0,0]=4 2124 B12R1.255 CC(=CCSCc1ncc[nH]1)C 62a_100016991755_100000761012 [0,0,0,0,0,1|3,0,0]=4 2125 B12R1.255 CC(=CCSCc1ncco1)C 62a_100000761012_103436540062 [0,0,0,0,0,1|2,0,0]=3 2126 B12R1.255 CC(=CCSCc1ncco1)C 62a_103436540062_100000761012 [0,0,0,0,0,1|2,0,0]=3 2127 B12R1.255 CC(=CCSCc1nccs1)C 62a_100000761012_100015184050 [0,0,0,0,0,1|2,1,0]=4 2128 B12R1.255 CC(=CCSCc1nccs1)C 62a_100015184050_100000761012 [0,0,0,0,0,1|2,1,0]=4 2129 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [0,0,0,0,0,1|1,1,0]=3 2130 B12R1.255 CC(=O)CCCOc1ccsc1 34a_100000106738_100000685027 [0,0,0,0,0,1|3,0,0]=4 2131 B12R1.255 CC(=O)CCCOc1ccsc1 7a_100000106738_100011215641 [0,0,0,0,0,1|3,0,0]=4 2132 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011215641 [0,0,0,0,0,1|3,0,0]=4 2133 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100011215641_100000756875 [0,0,0,0,0,1|3,0,0]=4 2134 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100000062575_100011215641 [0,0,0,0,0,1|3,0,0]=4 2135 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100011215641_100000062575 [0,0,0,0,0,1|3,0,0]=4 2136 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,0,0,0,0,1|1,0,0]=2 2137 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,0,0,0,0,1|1,0,0]=2 2138 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [0,0,0,0,0,1|1,1,0]=3 2139 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [0,0,0,0,0,1|1,1,0]=3 2140 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215275_100011215641 [0,0,0,0,0,1|3,0,0]=4 2141 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215641_100011215275 [0,0,0,0,0,1|3,0,0]=4 2142 B12R1.255 CC(=O)CCCSc1ccon1 62a_100009818083_100011215641 [0,0,0,0,0,1|3,0,0]=4 2143 B12R1.255 CC(=O)CCCSc1ccon1 62a_100011215641_100009818083 [0,0,0,0,0,1|3,0,0]=4 2144 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100000738268_100011215641 [0,0,0,0,0,1|3,0,0]=4 2145 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100011215641_100000738268 [0,0,0,0,0,1|3,0,0]=4 2146 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100009818082_100011215641 [0,0,0,0,0,1|3,0,0]=4 2147 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100011215641_100009818082 [0,0,0,0,0,1|3,0,0]=4 2148 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [0,0,0,0,0,1|2,0,0]=3 2149 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [0,0,0,0,0,1|2,0,0]=3 2150 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011215641_100011934649 [0,0,0,0,0,1|2,1,0]=4 2151 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011934649_100011215641 [0,0,0,0,0,1|2,1,0]=4 2152 B12R1.255 CC(=O)CCCSc1cscn1 62a_100000751502_100011215641 [0,0,0,0,0,1|3,0,0]=4 2153 B12R1.255 CC(=O)CCCSc1cscn1 62a_100011215641_100000751502 [0,0,0,0,0,1|3,0,0]=4 2154 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100011215641_100025796157 [0,0,0,0,0,1|3,0,0]=4 2155 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100025796157_100011215641 [0,0,0,0,0,1|3,0,0]=4 2156 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [0,0,0,0,0,1|2,0,0]=3 2157 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [0,0,0,0,0,1|2,0,0]=3 2158 B12R1.255 CC(=O)CCCSc1nccs1 62a_100000211983_100011215641 [0,0,0,0,0,1|2,1,0]=4 2159 B12R1.255 CC(=O)CCCSc1nccs1 62a_100011215641_100000211983 [0,0,0,0,0,1|2,1,0]=4 2160 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [0,0,0,0,0,1|2,1,0]=4 2161 B12R1.255 CC(=O)CCOCc1ccn[nH]1 34a_100000759926_100000728653 [0,0,0,0,0,1|2,1,0]=4 2162 B12R1.255 CC(=O)CCOCc1ccn[nH]1 7a_100000759926_100000728653 [0,0,0,0,0,1|2,1,0]=4 2163 B12R1.255 CC(=O)CCOCc1ccon1 34a_100000759926_100000234950 [0,0,0,0,0,1|2,1,0]=4 2164 B12R1.255 CC(=O)CCOCc1ccon1 7a_100000759926_100000234950 [0,0,0,0,0,1|2,1,0]=4 2165 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [0,0,0,0,0,1|2,1,0]=4 2166 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [0,0,0,0,0,1|2,1,0]=4 2167 B12R1.255 CC(=O)CCOCc1cncs1 34a_100000759926_100015185245 [0,0,0,0,0,1|1,2,0]=4 2168 B12R1.255 CC(=O)CCOCc1cncs1 7a_100000759926_100015185245 [0,0,0,0,0,1|1,2,0]=4 2169 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [0,0,0,0,0,1|2,1,0]=4 2170 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [0,0,0,0,0,1|2,1,0]=4 2171 B12R1.255 CC(=O)CCOCc1ncc[nH]1 34a_100000759926_100016991755 [0,0,0,0,0,1|2,1,0]=4 2172 B12R1.255 CC(=O)CCOCc1ncc[nH]1 7a_100000759926_100000753453 [0,0,0,0,0,1|2,1,0]=4 2173 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [0,0,0,0,0,1|1,1,0]=3 2174 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [0,0,0,0,0,1|1,1,0]=3 2175 B12R1.255 CC(=O)CCOCc1nccs1 34a_100000759926_100015184050 [0,0,0,0,0,1|1,2,0]=4 2176 B12R1.255 CC(=O)CCOCc1nccs1 7a_100000759926_100015184050 [0,0,0,0,0,1|1,2,0]=4 2177 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000053229_100000707719 [0,0,0,0,0,1|2,0,0]=3 2178 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000053229 [0,0,0,0,0,1|2,0,0]=3 2179 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000053229_100000728653 [0,0,0,0,0,1|2,0,0]=3 2180 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000053229 [0,0,0,0,0,1|2,0,0]=3 2181 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000053229_100000234950 [0,0,0,0,0,1|2,0,0]=3 2182 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000234950_100000053229 [0,0,0,0,0,1|2,0,0]=3 2183 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100000053229_100011233845 [0,0,0,0,0,1|2,0,0]=3 2184 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100011261437_100000053229 [0,0,0,0,0,1|2,0,0]=3 2185 B12R1.255 CC(=O)CCSCc1cncs1 62a_100000053229_100015185245 [0,0,0,0,0,1|1,1,0]=3 2186 B12R1.255 CC(=O)CCSCc1cncs1 62a_100015185245_100000053229 [0,0,0,0,0,1|1,1,0]=3 2187 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000053229_100000205941 [0,0,0,0,0,1|2,0,0]=3 2188 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000205941_100000053229 [0,0,0,0,0,1|2,0,0]=3 2189 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100000053229_100016991755 [0,0,0,0,0,1|2,0,0]=3 2190 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000053229 [0,0,0,0,0,1|2,0,0]=3 2191 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [0,0,0,0,0,1|1,0,0]=2 2192 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [0,0,0,0,0,1|1,0,0]=2 2193 B12R1.255 CC(=O)CCSCc1nccs1 62a_100000053229_100015184050 [0,0,0,0,0,1|1,1,0]=3 2194 B12R1.255 CC(=O)CCSCc1nccs1 62a_100015184050_100000053229 [0,0,0,0,0,1|1,1,0]=3 2195 B12R1.255 CC(=O)CCSCc1ncon1 62a_100000053229_100000233494 [0,0,0,0,0,1|3,0,0]=4 2196 B12R1.255 CC(=O)CCSCc1ncon1 62a_100000233494_100000053229 [0,0,0,0,0,1|3,0,0]=4 2197 B12R1.255 CC(=O)CCSCn1cncn1 62a_100000053229_200020645497 [0,0,0,0,0,1|3,0,0]=4 2198 B12R1.255 CC(=O)CCSCn1cncn1 62a_200020645497_100000053229 [0,0,0,0,0,1|3,0,0]=4 2199 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [0,0,0,0,0,1|0,2,0]=3 2200 B12R1.255 CC(=O)COCCn1cccn1 34a_100000211253_100015204718 [0,0,0,0,0,1|2,1,0]=4 2201 B12R1.255 CC(=O)NCCCn1cccn1 11a_100000737576_100015343762 [0,0,0,0,0,1|3,0,0]=4 2202 B12R1.255 CC(=O)NCCCn1cccn1 240690a_100000737576_100015343762 [0,0,0,0,0,1|3,0,0]=4 2203 B12R1.255 CC(=O)NCCCn1cccn1 527a_100000737576_100103153847 [0,0,0,0,0,1|3,0,0]=4 2204 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,0,0,0,0,1|2,0,0]=3 2205 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,0,0,0,0,1|2,0,0]=3 2206 B12R1.255 CC(=O)NCCSc1cccs1 62a_100000189650_100011215356 [0,0,0,0,0,1|2,1,0]=4 2207 B12R1.255 CC(=O)NCCSc1cccs1 62a_100011215356_100000189650 [0,0,0,0,0,1|2,1,0]=4 2208 B12R1.255 CC(=O)NCCSc1cnco1 62a_100000189650_100020591547 [0,0,0,0,0,1|3,0,0]=4 2209 B12R1.255 CC(=O)NCCSc1cnco1 62a_100020591547_100000189650 [0,0,0,0,0,1|3,0,0]=4 2210 B12R1.255 CC(=O)NCCSc1ncco1 62a_100000189650_100011787736 [0,0,0,0,0,1|3,0,0]=4 2211 B12R1.255 CC(=O)NCCSc1ncco1 62a_100011787736_100000189650 [0,0,0,0,0,1|3,0,0]=4 2212 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [0,0,0,0,0,1|1,0,1]=3 2213 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [0,0,0,0,0,1|1,1,1]=4 2214 B12R1.255 CC(=O)OCC=Cc1cnco1 271570a_200000047263_100020591547 [0,0,0,0,0,1|2,0,1]=4 2215 B12R1.255 CC(=O)OCC=Cc1ncco1 271570a_200000047263_100011787736 [0,0,0,0,0,1|2,0,1]=4 2216 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,0,0,0,0,1|2,0,0]=3 2217 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,0,0,0,0,1|2,0,0]=3 2218 B12R1.255 CC(=O)OCCSc1cccs1 62a_100009814007_100011215356 [0,0,0,0,0,1|2,1,0]=4 2219 B12R1.255 CC(=O)OCCSc1cccs1 62a_100011215356_100009814007 [0,0,0,0,0,1|2,1,0]=4 2220 B12R1.255 CC(=O)OCCSc1cnco1 62a_100009814007_100020591547 [0,0,0,0,0,1|3,0,0]=4 2221 B12R1.255 CC(=O)OCCSc1cnco1 62a_100020591547_100009814007 [0,0,0,0,0,1|3,0,0]=4 2222 B12R1.255 CC(=O)OCCSc1ncco1 62a_100009814007_100011787736 [0,0,0,0,0,1|3,0,0]=4 2223 B12R1.255 CC(=O)OCCSc1ncco1 62a_100011787736_100009814007 [0,0,0,0,0,1|3,0,0]=4 2224 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,0,0,0,0,1|1,0,0]=2 2225 B12R1.255 CC(=O)OCNCc1ccoc1 34a_100015206860_100009813279 [0,0,0,0,0,1|3,0,0]=4 2226 B12R1.255 CC(=O)OCNCc1ccsc1 34a_100000186416_100009813279 [0,0,0,0,0,1|3,0,0]=4 2227 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,0,0,0,0,1|0,1,0]=2 2228 B12R1.255 CC(=O)OCOCc1cccs1 34a_100000211240_100009813279 [0,0,0,0,0,1|0,2,0]=3 2229 B12R1.255 CC(=O)OCOCc1ccno1 34a_100000740478_100009813279 [0,0,0,0,0,1|1,1,0]=3 2230 B12R1.255 CC(=O)OCOCc1ccoc1 34a_100011215357_100009813279 [0,0,0,0,0,1|2,1,0]=4 2231 B12R1.255 CC(=O)OCOCc1ccsc1 34a_100011215551_100009813279 [0,0,0,0,0,1|2,1,0]=4 2232 B12R1.255 CC(=O)OCOCc1ncco1 34a_100000062594_100009813279 [0,0,0,0,0,1|1,1,0]=3 2233 B12R1.255 CC(=O)OCOCn1cccn1 34a_100000731028_100009813279 [0,0,0,0,0,1|2,1,0]=4 2234 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000076356_100000707719 [0,0,0,0,0,1|2,0,0]=3 2235 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000076356 [0,0,0,0,0,1|2,0,0]=3 2236 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000076356_100000728653 [0,0,0,0,0,1|2,0,0]=3 2237 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000076356 [0,0,0,0,0,1|2,0,0]=3 2238 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000076356_100000234950 [0,0,0,0,0,1|2,0,0]=3 2239 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000234950_100000076356 [0,0,0,0,0,1|2,0,0]=3 2240 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100000076356_100011233845 [0,0,0,0,0,1|2,0,0]=3 2241 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100011261437_100000076356 [0,0,0,0,0,1|2,0,0]=3 2242 B12R1.255 CC(=O)OCSCc1cncs1 62a_100000076356_100015185245 [0,0,0,0,0,1|1,1,0]=3 2243 B12R1.255 CC(=O)OCSCc1cncs1 62a_100015185245_100000076356 [0,0,0,0,0,1|1,1,0]=3 2244 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000076356_100000205941 [0,0,0,0,0,1|2,0,0]=3 2245 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000205941_100000076356 [0,0,0,0,0,1|2,0,0]=3 2246 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100000076356_100016991755 [0,0,0,0,0,1|2,0,0]=3 2247 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000076356 [0,0,0,0,0,1|2,0,0]=3 2248 B12R1.255 CC(=O)OCSCc1ncco1 62a_100000076356_103436540062 [0,0,0,0,0,1|1,0,0]=2 2249 B12R1.255 CC(=O)OCSCc1ncco1 62a_103436540062_100000076356 [0,0,0,0,0,1|1,0,0]=2 2250 B12R1.255 CC(=O)OCSCc1nccs1 62a_100000076356_100015184050 [0,0,0,0,0,1|1,1,0]=3 2251 B12R1.255 CC(=O)OCSCc1nccs1 62a_100015184050_100000076356 [0,0,0,0,0,1|1,1,0]=3 2252 B12R1.255 CC(=O)OCSCc1ncon1 62a_100000076356_100000233494 [0,0,0,0,0,1|3,0,0]=4 2253 B12R1.255 CC(=O)OCSCc1ncon1 62a_100000233494_100000076356 [0,0,0,0,0,1|3,0,0]=4 2254 B12R1.255 CC(=O)OCSCn1cncn1 62a_100000076356_200020645497 [0,0,0,0,0,1|3,0,0]=4 2255 B12R1.255 CC(=O)OCSCn1cncn1 62a_200020645497_100000076356 [0,0,0,0,0,1|3,0,0]=4 2256 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [0,0,0,0,0,1|2,0,1]=4 2257 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [0,0,0,0,0,1|2,0,1]=4 2258 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [0,0,0,0,0,1|2,0,1]=4 2259 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [0,0,0,0,0,1|2,0,1]=4 2260 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [0,0,0,0,0,1|2,0,1]=4 2261 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [0,0,0,0,0,1|2,0,1]=4 2262 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [0,0,0,0,0,1|1,1,1]=4 2263 B12R1.255 CC(C)CCSCc1ncco1 62a_100000210312_103436540062 [0,0,0,0,0,1|2,0,1]=4 2264 B12R1.255 CC(C)CCSCc1ncco1 62a_103436540062_100000210312 [0,0,0,0,0,1|2,0,1]=4 2265 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [0,0,0,0,0,1|2,0,1]=4 2266 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [0,0,0,0,0,1|2,0,1]=4 2267 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [0,0,0,0,0,1|2,0,1]=4 2268 B12R1.255 CC(C)CSCCc1cccs1 62a_100000210624_100000748579 [0,0,0,0,0,1|1,1,1]=4 2269 B12R1.255 CC(C)CSCCc1cccs1 62a_100000748579_100000210760 [0,0,0,0,0,1|1,1,1]=4 2270 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [0,0,0,0,0,1|2,0,1]=4 2271 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [0,0,0,0,0,1|2,0,1]=4 2272 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [0,0,0,0,0,1|1,1,1]=4 2273 B12R1.255 CC(C)OCSCc1ncco1 62a_100000709892_103436540062 [0,0,0,0,0,1|2,0,1]=4 2274 B12R1.255 CC(C)OCSCc1ncco1 62a_103436540062_100000709892 [0,0,0,0,0,1|2,0,1]=4 2275 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,0,0,0,0,1|1,0,2]=4 2276 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,0,0,0,0,1|1,0,2]=4 2277 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [0,0,0,0,0,1|1,0,2]=4 2278 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [0,0,0,0,0,1|1,0,2]=4 2279 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [0,0,0,0,0,1|1,0,2]=4 2280 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [0,0,0,0,0,1|1,0,2]=4 2281 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,0,0,0,0,1|0,1,2]=4 2282 B12R1.255 CC(O)CCSCc1ncco1 62a_100012276601_103436540062 [0,0,0,0,0,1|1,0,2]=4 2283 B12R1.255 CC(O)CCSCc1ncco1 62a_103436540062_100012276601 [0,0,0,0,0,1|1,0,2]=4 2284 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [0,0,0,0,0,1|1,0,2]=4 2285 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [0,0,0,0,0,1|1,0,2]=4 2286 B12R1.255 CC(O)CSCCc1cccs1 62a_100000748579_100011218427 [0,0,0,0,0,1|0,1,2]=4 2287 B12R1.255 CC(O)CSCCc1cccs1 62a_100011218427_100000748579 [0,0,0,0,0,1|0,1,2]=4 2288 B12R1.255 CN(C)CCCSc1ccco1 62a_100009814098_100000757444 [0,0,0,0,0,1|3,0,0]=4 2289 B12R1.255 CN(C)CCNCc1ccco1 207a_100000210585_100000186105 [0,0,0,0,0,1|3,0,0]=4 2290 B12R1.255 CN(C)CCNCc1ccco1 270004a_100000210585_100000186105 [0,0,0,0,0,1|3,0,0]=4 2291 B12R1.255 CN(C)CCSCc1ncco1 62a_103436540062_100000755713 [0,0,0,0,0,1|3,0,0]=4 2292 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [0,0,0,0,0,1|1,0,2]=4 2293 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [0,0,0,0,0,1|1,0,2]=4 2294 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100000748579_100009817552 [0,0,0,0,0,1|0,1,2]=4 2295 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100009817552_100000748579 [0,0,0,0,0,1|0,1,2]=4 2296 B12R1.255 NC(=O)CCCSc1ccco1 62a_100009814098_100102525003 [0,0,0,0,0,1|2,0,0]=3 2297 B12R1.255 NC(=O)CCCSc1ccco1 62a_100102525003_100009814098 [0,0,0,0,0,1|2,0,0]=3 2298 B12R1.255 NC(=O)CCCSc1cccs1 62a_100011215356_100102525003 [0,0,0,0,0,1|2,1,0]=4 2299 B12R1.255 NC(=O)CCCSc1cccs1 62a_100102525003_100011215356 [0,0,0,0,0,1|2,1,0]=4 2300 B12R1.255 NC(=O)CCCSc1cnco1 62a_100020591547_100102525003 [0,0,0,0,0,1|3,0,0]=4 2301 B12R1.255 NC(=O)CCCSc1cnco1 62a_100102525003_100020591547 [0,0,0,0,0,1|3,0,0]=4 2302 B12R1.255 NC(=O)CCCSc1ncco1 62a_100011787736_100102525003 [0,0,0,0,0,1|3,0,0]=4 2303 B12R1.255 NC(=O)CCCSc1ncco1 62a_100102525003_100011787736 [0,0,0,0,0,1|3,0,0]=4 2304 B12R1.255 NC(=O)CCNCc1ccco1 207a_100000740010_100000186105 [0,0,0,0,0,1|2,0,0]=3 2305 B12R1.255 NC(=O)CCNCc1ccco1 2230a_100000185738_100000744528 [0,0,0,0,0,1|2,0,0]=3 2306 B12R1.255 NC(=O)CCNCc1ccco1 34a_100000185738_100000731001 [0,0,0,0,0,1|2,0,0]=3 2307 B12R1.255 NC(=O)CCNCc1cccs1 207a_100000740010_100000209959 [0,0,0,0,0,1|2,1,0]=4 2308 B12R1.255 NC(=O)CCNCc1cccs1 2230a_100000211653_100000744528 [0,0,0,0,0,1|2,1,0]=4 2309 B12R1.255 NC(=O)CCNCc1ncco1 2230a_100016994969_100000744528 [0,0,0,0,0,1|3,0,0]=4 2310 B12R1.255 NC(=O)CCOCc1ccco1 34a_100000210059_100000731001 [0,0,0,0,0,1|1,1,0]=3 2311 B12R1.255 NC(=O)CCOCc1cccs1 34a_100000211240_100000731001 [0,0,0,0,0,1|1,2,0]=4 2312 B12R1.255 NC(=O)CCOCc1ccno1 34a_100000740478_100000731001 [0,0,0,0,0,1|2,1,0]=4 2313 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000062594_100000731001 [0,0,0,0,0,1|2,1,0]=4 2314 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000757172_103436540062 [0,0,0,0,0,1|2,1,0]=4 2315 B12R1.255 NC(=O)CCOCc1ncco1 7a_100000757172_103436540062 [0,0,0,0,0,1|2,1,0]=4 2316 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000744528 [0,0,0,0,0,1|3,0,0]=4 2317 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000744528_100000707719 [0,0,0,0,0,1|3,0,0]=4 2318 B12R1.255 NC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000744528 [0,0,0,0,0,1|3,0,0]=4 2319 B12R1.255 NC(=O)CCSCc1ccn[nH]1 62a_100000744528_100000728653 [0,0,0,0,0,1|3,0,0]=4 2320 B12R1.255 NC(=O)CCSCc1ccon1 62a_100000234950_100000744528 [0,0,0,0,0,1|3,0,0]=4 2321 B12R1.255 NC(=O)CCSCc1ccon1 62a_100000744528_100000234950 [0,0,0,0,0,1|3,0,0]=4 2322 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100000744528_100011233845 [0,0,0,0,0,1|3,0,0]=4 2323 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100011261437_100000744528 [0,0,0,0,0,1|3,0,0]=4 2324 B12R1.255 NC(=O)CCSCc1cncs1 62a_100000744528_100015185245 [0,0,0,0,0,1|2,1,0]=4 2325 B12R1.255 NC(=O)CCSCc1cncs1 62a_100015185245_100000744528 [0,0,0,0,0,1|2,1,0]=4 2326 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000205941_100000744528 [0,0,0,0,0,1|3,0,0]=4 2327 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000744528_100000205941 [0,0,0,0,0,1|3,0,0]=4 2328 B12R1.255 NC(=O)CCSCc1ncc[nH]1 62a_100000744528_100016991755 [0,0,0,0,0,1|3,0,0]=4 2329 B12R1.255 NC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000744528 [0,0,0,0,0,1|3,0,0]=4 2330 B12R1.255 NC(=O)CCSCc1ncco1 62a_100000744528_103436540062 [0,0,0,0,0,1|2,0,0]=3 2331 B12R1.255 NC(=O)CCSCc1ncco1 62a_103436540062_100000744528 [0,0,0,0,0,1|2,0,0]=3 2332 B12R1.255 NC(=O)CCSCc1nccs1 62a_100000744528_100015184050 [0,0,0,0,0,1|2,1,0]=4 2333 B12R1.255 NC(=O)CCSCc1nccs1 62a_100015184050_100000744528 [0,0,0,0,0,1|2,1,0]=4 2334 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [0,0,0,0,0,1|2,0,0]=3 2335 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [0,0,0,0,0,1|2,0,0]=3 2336 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000203755_100000747473 [0,0,0,0,0,1|2,1,0]=4 2337 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000711301_100000748579 [0,0,0,0,0,1|2,1,0]=4 2338 B12R1.255 NC(=O)CNCCc1cccs1 34a_100000203755_100000187820 [0,0,0,0,0,1|2,1,0]=4 2339 B12R1.255 NC(=O)COCCc1cccs1 34a_100011216825_100000187820 [0,0,0,0,0,1|1,2,0]=4 2340 B12R1.255 NC(=O)COCCc1cccs1 7a_100011216825_100000187820 [0,0,0,0,0,1|1,2,0]=4 2341 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100000747473_100020628418 [0,0,0,0,0,1|3,0,0]=4 2342 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747473 [0,0,0,0,0,1|3,0,0]=4 2343 B12R1.255 NC(=O)CSCCc1cccs1 62a_100000747473_100000748579 [0,0,0,0,0,1|1,1,0]=3 2344 B12R1.255 NC(=O)CSCCc1cccs1 62a_100000748579_100000747473 [0,0,0,0,0,1|1,1,0]=3 2345 B12R1.255 NC(=O)CSCCn1cccc1 62a_100000747473_200000035178 [0,0,0,0,0,1|3,0,0]=4 2346 B12R1.255 NC(=O)CSCCn1cccc1 62a_200009811947_100000747473 [0,0,0,0,0,1|3,0,0]=4 2347 B12R1.255 NC(=O)CSCCn1cccn1 62a_100000747473_100000685285 [0,0,0,0,0,1|3,0,0]=4 2348 B12R1.255 NC(=O)CSCCn1cccn1 62a_100015204718_100000747473 [0,0,0,0,0,1|3,0,0]=4 2349 B12R1.255 NC(=O)NCCSc1ccco1 62a_100009814098_200000034859 [0,0,0,0,0,1|3,0,0]=4 2350 B12R1.255 NC(=O)NCCSc1ccco1 62a_200000034859_100009814098 [0,0,0,0,0,1|3,0,0]=4 2351 B12R1.255 NC(=O)OCCSc1ccco1 62a_100009814098_200011214921 [0,0,0,0,0,1|3,0,0]=4 2352 B12R1.255 NC(=O)OCCSc1ccco1 62a_200011214921_100009814098 [0,0,0,0,0,1|3,0,0]=4 2353 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [0,0,0,0,0,1|2,1,0]=4 2354 B12R1.255 O=C(O)CONCc1ncco1 269956a_100000106656_103436540062 [0,0,0,0,0,1|2,1,0]=4 2355 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [0,0,0,0,0,1|2,0,0]=3 2356 B12R1.255 O=C([O-])CNCCc1cccs1 34a_100000203755_100020667443 [0,0,0,0,0,1|2,1,0]=4 2357 B12R1.255 O=C([O-])COCCc1cccs1 34a_100011216825_100020667443 [0,0,0,0,0,1|1,2,0]=4 2358 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020628418_100020667443 [0,0,0,0,0,1|3,0,0]=4 2359 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020667443_100020628418 [0,0,0,0,0,1|3,0,0]=4 2360 B12R1.255 O=C([O-])CSCCc1cccs1 62a_100000748579_100020667443 [0,0,0,0,0,1|1,1,0]=3 2361 B12R1.255 O=C([O-])CSCCc1cccs1 62a_100020667443_100000748579 [0,0,0,0,0,1|1,1,0]=3 2362 B12R1.255 O=C([O-])CSCCn1cccc1 62a_100020667443_200000035178 [0,0,0,0,0,1|3,0,0]=4 2363 B12R1.255 O=C([O-])CSCCn1cccc1 62a_200009811947_100020667443 [0,0,0,0,0,1|3,0,0]=4 2364 B12R1.255 O=C([O-])CSCCn1cccn1 62a_100015204718_100020667443 [0,0,0,0,0,1|3,0,0]=4 2365 B12R1.255 O=C([O-])CSCCn1cccn1 62a_100020667443_100000685285 [0,0,0,0,0,1|3,0,0]=4 2366 B12R1.255 O=[N+]([O-])CNCCc1ccco1 34a_100000694680_100000761209 [0,0,0,0,0,1|3,0,0]=4 2367 B12R1.255 O=[N+]([O-])CSCCc1cccs1 62a_100000748579_100000761209 [0,0,0,0,0,1|2,1,0]=4 2368 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [0,0,0,0,0,1|1,1,0]=3 2369 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,1,0,0,0|1,0,1]=4 2370 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [1,0,1,0,0,0|0,1,1]=4 2371 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [1,0,1,0,0,0|1,0,1]=4 2372 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [1,0,1,0,0,0|1,0,1]=4 2373 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [1,0,1,0,0,0|1,0,1]=4 2374 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [1,0,1,0,0,0|1,0,1]=4 2375 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [1,0,1,0,0,0|1,0,1]=4 2376 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [1,0,1,0,0,0|1,0,1]=4 2377 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,0,1,0,0,0|1,0,1]=4 2378 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,0,1,0,0,0|1,0,1]=4 2379 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,0,1,0,0,0|0,0,2]=4 2380 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,0,1,0,0,0|0,0,2]=4 2381 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,0,1,0,0,0|0,0,2]=4 2382 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [1,0,1,0,0,0|0,1,1]=4 2383 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [1,0,1,0,0,0|1,0,1]=4 2384 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [1,0,1,0,0,0|1,0,1]=4 2385 B9R0.2 C=COCCSCC(=O)N 62a_100000039644_100000747473 [1,0,1,0,0,0|1,0,1]=4 2386 B9R0.2 C=COCCSCC(=O)N 62a_100000747473_100000039644 [1,0,1,0,0,0|1,0,1]=4 2387 B9R0.2 C=COCCSCC(=O)[O-] 62a_100000039644_100020667443 [1,0,1,0,0,0|1,0,1]=4 2388 B9R0.2 C=COCCSCC(=O)[O-] 62a_100020667443_100000039644 [1,0,1,0,0,0|1,0,1]=4 2389 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [1,0,1,0,0,0|1,0,1]=4 2390 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [1,0,1,0,0,0|1,0,1]=4 2391 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [1,0,1,0,0,0|1,0,0]=3 2392 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [1,0,1,0,0,0|1,0,0]=3 2393 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,0,1,0,0,0|1,0,1]=4 2394 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,0,1,0,0,0|1,0,1]=4 2395 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [1,0,1,0,0,0|2,0,0]=4 2396 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [1,0,1,0,0,0|2,0,0]=4 2397 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [1,0,1,0,0,0|2,0,0]=4 2398 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [1,0,1,0,0,0|2,0,0]=4 2399 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,0,1,0,0,0|1,1,0]=4 2400 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [2,0,0,0,0,0|0,0,2]=4 2401 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [2,0,0,0,0,0|0,0,1]=3 2402 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [2,0,0,0,0,0|0,0,1]=3 2403 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [2,0,0,0,0,0|0,1,1]=4 2404 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [2,0,0,0,0,0|0,1,1]=4 2405 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [2,0,0,0,0,0|1,0,1]=4 2406 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [2,0,0,0,0,0|1,0,1]=4 2407 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [2,0,0,0,0,0|1,0,1]=4 2408 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [2,0,0,0,0,0|1,0,1]=4 2409 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [2,0,0,0,0,0|0,0,1]=3 2410 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [2,0,0,0,0,0|0,1,1]=4 2411 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [2,0,0,0,0,0|1,0,1]=4 2412 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [2,0,0,0,0,0|1,0,1]=4 2413 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [2,0,0,0,0,0|0,0,1]=3 2414 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [2,0,0,0,0,0|0,0,1]=3 2415 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [2,0,0,0,0,0|0,1,1]=4 2416 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [2,0,0,0,0,0|0,1,1]=4 2417 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [2,0,0,0,0,0|1,0,1]=4 2418 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [2,0,0,0,0,0|1,0,1]=4 2419 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [2,0,0,0,0,0|1,0,1]=4 2420 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [2,0,0,0,0,0|1,0,1]=4 2421 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [2,0,0,0,0,0|1,0,0]=3 2422 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [2,0,0,0,0,0|1,0,0]=3 2423 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [2,0,0,0,0,0|1,0,0]=3 2424 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [2,0,0,0,0,0|1,0,0]=3 2425 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [2,0,0,0,0,0|1,1,0]=4 2426 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [2,0,0,0,0,0|1,1,0]=4 2427 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [2,0,0,0,0,0|1,1,0]=4 2428 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [2,0,0,0,0,0|2,0,0]=4 2429 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [2,0,0,0,0,0|2,0,0]=4 2430 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [2,0,0,0,0,0|2,0,0]=4 2431 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [2,0,0,0,0,0|2,0,0]=4 2432 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [2,0,0,0,0,0|0,1,0]=3 2433 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [2,0,0,0,0,0|0,2,0]=4 2434 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [2,0,0,0,0,0|1,1,0]=4 2435 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [2,0,0,0,0,0|1,1,0]=4 2436 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [2,0,0,0,0,0|1,1,0]=4 2437 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [2,0,0,0,0,0|2,0,0]=4 2438 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [2,0,0,0,0,0|2,0,0]=4 2439 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [2,0,0,0,0,0|2,0,0]=4 2440 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [2,0,0,0,0,0|2,0,0]=4 2441 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [2,0,0,0,0,0|2,0,0]=4 2442 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [2,0,0,0,0,0|2,0,0]=4 2443 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [2,0,0,0,0,0|2,0,0]=4 2444 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [2,0,0,0,0,0|2,0,0]=4 2445 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [2,0,0,0,0,0|1,1,0]=4 2446 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [2,0,0,0,0,0|1,1,0]=4 2447 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [2,0,0,0,0,0|2,0,0]=4 2448 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [2,0,0,0,0,0|2,0,0]=4 2449 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [2,0,0,0,0,0|2,0,0]=4 2450 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [2,0,0,0,0,0|2,0,0]=4 2451 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [2,0,0,0,0,0|1,0,0]=3 2452 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [2,0,0,0,0,0|1,0,0]=3 2453 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [2,0,0,0,0,0|1,1,0]=4 2454 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [2,0,0,0,0,0|1,1,0]=4 2455 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [2,0,0,0,0,0|1,0,0]=3 2456 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [2,0,0,0,0,0|1,0,0]=3 2457 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [2,0,0,0,0,0|1,1,0]=4 2458 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [2,0,0,0,0,0|1,1,0]=4 2459 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [2,0,0,0,0,0|1,1,0]=4 2460 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [2,0,0,0,0,0|1,1,0]=4 2461 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [2,0,0,0,0,0|1,1,0]=4 2462 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [2,0,0,0,0,0|1,1,0]=4 2463 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [2,0,0,0,0,0|1,1,0]=4 2464 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [2,0,0,0,0,0|1,1,0]=4 2465 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [2,0,0,0,0,0|1,0,0]=3 2466 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [2,0,0,0,0,0|1,0,0]=3 2467 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [2,0,0,0,0,0|1,1,0]=4 2468 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [2,0,0,0,0,0|1,1,0]=4 2469 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [2,0,0,0,0,0|2,0,0]=4 2470 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [2,0,0,0,0,0|2,0,0]=4 2471 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [2,0,0,0,0,0|2,0,0]=4 2472 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [2,0,0,0,0,0|2,0,0]=4 2473 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [2,0,0,0,0,0|1,1,0]=4 2474 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [2,0,0,0,0,0|1,1,0]=4 2475 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [2,0,0,0,0,0|1,0,0]=3 2476 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [2,0,0,0,0,0|1,0,0]=3 2477 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [2,0,0,0,0,0|1,1,0]=4 2478 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [2,0,0,0,0,0|1,1,0]=4 2479 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [2,0,0,0,0,0|2,0,0]=4 2480 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [2,0,0,0,0,0|2,0,0]=4 2481 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [2,0,0,0,0,0|2,0,0]=4 2482 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [2,0,0,0,0,0|2,0,0]=4 2483 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [2,0,0,0,0,0|1,0,1]=4 2484 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [2,0,0,0,0,0|1,0,1]=4 2485 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [2,0,0,0,0,0|2,0,0]=4 2486 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [2,0,0,0,0,0|1,1,0]=4 2487 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [2,0,0,0,0,0|2,0,0]=4 2488 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [2,0,0,0,0,0|2,0,0]=4 2489 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [2,0,0,0,0,0|1,0,1]=4 2490 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [2,0,0,0,0,0|1,0,1]=4 2491 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [2,0,0,0,0,0|2,0,0]=4 2492 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [2,0,0,0,0,0|2,0,0]=4 2493 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [2,0,0,0,0,0|2,0,0]=4 2494 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [2,0,0,0,0,0|2,0,0]=4 2495 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [2,0,0,0,0,0|0,0,0]=2 2496 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [2,0,0,0,0,0|0,0,0]=2 2497 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [2,0,0,0,0,0|0,1,0]=3 2498 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [2,0,0,0,0,0|0,1,0]=3 2499 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [2,0,0,0,0,0|2,0,0]=4 2500 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [2,0,0,0,0,0|2,0,0]=4 2501 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [2,0,0,0,0,0|2,0,0]=4 2502 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [2,0,0,0,0,0|2,0,0]=4 2503 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [2,0,0,0,0,0|2,0,0]=4 2504 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [2,0,0,0,0,0|2,0,0]=4 2505 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [2,0,0,0,0,0|2,0,0]=4 2506 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [2,0,0,0,0,0|2,0,0]=4 2507 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [2,0,0,0,0,0|1,0,0]=3 2508 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [2,0,0,0,0,0|1,0,0]=3 2509 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [2,0,0,0,0,0|1,1,0]=4 2510 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [2,0,0,0,0,0|1,1,0]=4 2511 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [2,0,0,0,0,0|2,0,0]=4 2512 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [2,0,0,0,0,0|2,0,0]=4 2513 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [2,0,0,0,0,0|2,0,0]=4 2514 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [2,0,0,0,0,0|2,0,0]=4 2515 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [2,0,0,0,0,0|1,0,0]=3 2516 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [2,0,0,0,0,0|1,0,0]=3 2517 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [2,0,0,0,0,0|1,1,0]=4 2518 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [2,0,0,0,0,0|1,1,0]=4 2519 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [2,0,0,0,0,0|0,0,2]=4 2520 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [2,0,0,0,0,0|0,0,2]=4 2521 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [2,0,0,0,0,0|1,0,0]=3 2522 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [2,0,0,0,0,0|1,0,0]=3 2523 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [2,0,0,0,0,0|1,1,0]=4 2524 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [2,0,0,0,0,0|1,1,0]=4 2525 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [2,0,0,0,0,0|1,1,0]=4 2526 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [2,0,0,0,0,0|1,1,0]=4 2527 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [2,0,0,0,0,0|1,1,0]=4 2528 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [2,0,0,0,0,0|1,1,0]=4 2529 B11R0.141 C=COC(=O)COC(C)C(=O)C 34a_100000212229_100000036128 [0,1,1,0,0,0|1,1,0]=4 2530 B11R0.141 C=COC(=O)CSC(C)C(=O)C 62a_100000036128_100009814033 [0,1,1,0,0,0|1,0,0]=3 2531 B11R0.141 C=COC(=O)CSC(C)C(=O)C 62a_100009814033_100000036128 [0,1,1,0,0,0|1,0,0]=3 2532 B11R0.141 C=COC(=O)CSC(C)C(=O)N 62a_100000036128_100000702099 [0,1,1,0,0,0|2,0,0]=4 2533 B11R0.141 C=COC(=O)CSC(C)C(=O)N 62a_100000702099_100000036128 [0,1,1,0,0,0|2,0,0]=4 2534 B11R0.141 C=COC(=O)CSC(F)C(=O)N 62a_100000036128_100009813875 [0,1,1,0,0,0|2,0,0]=4 2535 B11R0.141 C=COC(=O)CSC(F)C(=O)N 62a_100009813875_100000036128 [0,1,1,0,0,0|2,0,0]=4 2536 B11R0.141 C=COC(=O)CSC(F)C(=O)[O-] 62a_100000036128_100020610796 [0,1,1,0,0,0|2,0,0]=4 2537 B11R0.141 C=COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000036128 [0,1,1,0,0,0|2,0,0]=4 2538 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,1,1,0,0,0|1,0,1]=4 2539 B11R0.147 C=CCOC(=O)COCC(=O)C 34a_100000211253_100000033060 [0,1,1,0,0,0|1,1,0]=4 2540 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000033060_100000211660 [0,1,1,0,0,0|2,0,0]=4 2541 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000748629_100000033060 [0,1,1,0,0,0|2,0,0]=4 2542 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000033060_100000747473 [0,1,1,0,0,0|2,0,0]=4 2543 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000747473_100000033060 [0,1,1,0,0,0|2,0,0]=4 2544 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100000033060_100020667443 [0,1,1,0,0,0|2,0,0]=4 2545 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000033060 [0,1,1,0,0,0|2,0,0]=4 2546 B11R0.174 C=CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210623 [0,1,1,0,0,0|0,0,2]=4 2547 B11R0.174 C=COC(=O)CNCC(=O)NC 2230a_100000693194_100000036128 [0,1,1,0,0,0|2,0,0]=4 2548 B11R0.174 C=COC(=O)COCC(=O)CC 34a_100000725409_100000036128 [0,1,1,0,0,0|1,1,0]=4 2549 B11R0.174 C=COC(=O)COCC(=O)NC 34a_100000750040_100000036128 [0,1,1,0,0,0|1,1,0]=4 2550 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000036128_100000747405 [0,1,1,0,0,0|1,0,0]=3 2551 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000747405_100000036128 [0,1,1,0,0,0|1,0,0]=3 2552 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000036128_100000183359 [0,1,1,0,0,0|1,0,0]=3 2553 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000183359_100000036128 [0,1,1,0,0,0|1,0,0]=3 2554 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000036128_100000747449 [0,1,1,0,0,0|1,0,0]=3 2555 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000747449_100000036128 [0,1,1,0,0,0|1,0,0]=3 2556 B11R0.40 C/C=C/C=C/COCC(=O)NC 34a_100016283227_100000183359 [0,1,1,0,0,0|1,1,0]=4 2557 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,1,1,0,0,0|1,1,0]=4 2558 B11R0.111 C=CC(=O)OCCOCC(=O)C 34a_100000211253_100009813456 [0,1,1,0,0,0|0,1,1]=4 2559 B11R0.111 C=CC(=O)OCCSCC(=C)C 62a_100000748629_100009813456 [0,1,1,0,0,0|1,0,1]=4 2560 B11R0.111 C=CC(=O)OCCSCC(=C)C 62a_100009813456_100000211660 [0,1,1,0,0,0|1,0,1]=4 2561 B11R0.111 C=CC(=O)OCCSCC(=O)N 62a_100000747473_100009813456 [0,1,1,0,0,0|1,0,1]=4 2562 B11R0.111 C=CC(=O)OCCSCC(=O)N 62a_100009813456_100000747473 [0,1,1,0,0,0|1,0,1]=4 2563 B11R0.111 C=CC(=O)OCCSCC(=O)[O-] 62a_100009813456_100020667443 [0,1,1,0,0,0|1,0,1]=4 2564 B11R0.111 C=CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009813456 [0,1,1,0,0,0|1,0,1]=4 2565 B11R0.148 C/C=C/C=C/COCOC(=O)C 34a_100016283227_100009813279 [0,1,1,0,0,0|1,1,0]=4 2566 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [1,1,0,0,0,0|1,0,0]=3 2567 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [1,1,0,0,0,0|0,1,0]=3 2568 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [1,1,0,0,0,0|0,2,0]=4 2569 B11R1.4 C/C=C/COCc1ccno1 34a_100000740478_100102629194 [1,1,0,0,0,0|1,1,0]=4 2570 B11R1.4 C/C=C/COCc1ncco1 34a_100000062594_100102629194 [1,1,0,0,0,0|1,1,0]=4 2571 B11R1.4 C/C=C/COCc1ncco1 34a_100016270725_103436540062 [1,1,0,0,0,0|1,1,0]=4 2572 B11R1.4 C/C=C/CSCc1c[nH]cn1 62a_100000707719_100102629194 [1,1,0,0,0,0|2,0,0]=4 2573 B11R1.4 C/C=C/CSCc1c[nH]cn1 62a_100102629194_100000707719 [1,1,0,0,0,0|2,0,0]=4 2574 B11R1.4 C/C=C/CSCc1ccn[nH]1 62a_100000728653_100102629194 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.4 C/C=C/CSCc1ccn[nH]1 62a_100102629194_100000728653 [1,1,0,0,0,0|2,0,0]=4 2576 B11R1.4 C/C=C/CSCc1ccon1 62a_100000234950_100102629194 [1,1,0,0,0,0|2,0,0]=4 2577 B11R1.4 C/C=C/CSCc1ccon1 62a_100102629194_100000234950 [1,1,0,0,0,0|2,0,0]=4 2578 B11R1.4 C/C=C/CSCc1ccsc1 62a_100011261437_100102629194 [1,1,0,0,0,0|2,0,0]=4 2579 B11R1.4 C/C=C/CSCc1ccsc1 62a_100102629194_100011233845 [1,1,0,0,0,0|2,0,0]=4 2580 B11R1.4 C/C=C/CSCc1cncs1 62a_100015185245_100102629194 [1,1,0,0,0,0|1,1,0]=4 2581 B11R1.4 C/C=C/CSCc1cncs1 62a_100102629194_100015185245 [1,1,0,0,0,0|1,1,0]=4 2582 B11R1.4 C/C=C/CSCc1cscn1 62a_100000205941_100102629194 [1,1,0,0,0,0|2,0,0]=4 2583 B11R1.4 C/C=C/CSCc1cscn1 62a_100102629194_100000205941 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.4 C/C=C/CSCc1ncc[nH]1 62a_100016991755_100102629194 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.4 C/C=C/CSCc1ncc[nH]1 62a_100102629194_100016991755 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.4 C/C=C/CSCc1ncco1 62a_100102629194_103436540062 [1,1,0,0,0,0|1,0,0]=3 2587 B11R1.4 C/C=C/CSCc1ncco1 62a_103436540062_100102629194 [1,1,0,0,0,0|1,0,0]=3 2588 B11R1.4 C/C=C/CSCc1nccs1 62a_100015184050_100102629194 [1,1,0,0,0,0|1,1,0]=4 2589 B11R1.4 C/C=C/CSCc1nccs1 62a_100102629194_100015184050 [1,1,0,0,0,0|1,1,0]=4 2590 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [1,1,0,0,0,0|1,0,1]=4 2591 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [1,1,0,0,0,0|1,0,1]=4 2592 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [1,1,0,0,0,0|1,0,1]=4 2593 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [1,1,0,0,0,0|1,0,1]=4 2594 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [1,1,0,0,0,0|1,0,1]=4 2595 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [1,1,0,0,0,0|1,0,1]=4 2596 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [1,1,0,0,0,0|0,1,1]=4 2597 B11R1.4 C=CCCSCc1ncco1 62a_100000754431_103436540062 [1,1,0,0,0,0|1,0,1]=4 2598 B11R1.4 C=CCCSCc1ncco1 62a_103436540062_100000754431 [1,1,0,0,0,0|1,0,1]=4 2599 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [1,1,0,0,0,0|1,0,1]=4 2600 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [1,1,0,0,0,0|1,0,1]=4 2601 B11R1.4 C=CCSCCc1cccs1 62a_100000210623_100000748579 [1,1,0,0,0,0|0,1,1]=4 2602 B11R1.4 C=CCSCCc1cccs1 62a_100000748579_100000210623 [1,1,0,0,0,0|0,1,1]=4 2603 B11R1.4 CC#CCNCc1ccco1 2230a_100000185738_100000748600 [1,1,0,0,0,0|1,0,1]=4 2604 B11R1.4 CC#CCNCc1ccco1 34a_100000185738_100000748600 [1,1,0,0,0,0|1,0,1]=4 2605 B11R1.4 CC#CCOCc1ccco1 34a_100000210059_100000748600 [1,1,0,0,0,0|0,1,1]=4 2606 B11R1.4 CC#CCSCc1ncco1 62a_100000748600_103436540062 [1,1,0,0,0,0|1,0,1]=4 2607 B11R1.4 CC#CCSCc1ncco1 62a_103436540062_100000748600 [1,1,0,0,0,0|1,0,1]=4 2608 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [1,1,0,0,0,0|1,0,0]=3 2609 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [1,1,0,0,0,0|1,0,0]=3 2610 B11R1.4 CC=CCNCc1cccs1 2230a_100000211653_100000070051 [1,1,0,0,0,0|1,1,0]=4 2611 B11R1.4 CC=CCNCc1ncco1 2230a_100016994969_100000070051 [1,1,0,0,0,0|2,0,0]=4 2612 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [1,1,0,0,0,0|0,1,0]=3 2613 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [1,1,0,0,0,0|0,2,0]=4 2614 B11R1.4 CC=CCOCc1ccno1 34a_100000740478_100000070051 [1,1,0,0,0,0|1,1,0]=4 2615 B11R1.4 CC=CCOCc1ncco1 34a_100000062594_100000070051 [1,1,0,0,0,0|1,1,0]=4 2616 B11R1.4 CC=CCSCc1c[nH]cn1 62a_100000070051_100000707719 [1,1,0,0,0,0|2,0,0]=4 2617 B11R1.4 CC=CCSCc1c[nH]cn1 62a_100000707719_100000070051 [1,1,0,0,0,0|2,0,0]=4 2618 B11R1.4 CC=CCSCc1ccn[nH]1 62a_100000070051_100000728653 [1,1,0,0,0,0|2,0,0]=4 2619 B11R1.4 CC=CCSCc1ccn[nH]1 62a_100000728653_100000070051 [1,1,0,0,0,0|2,0,0]=4 2620 B11R1.4 CC=CCSCc1ccon1 62a_100000070051_100000234950 [1,1,0,0,0,0|2,0,0]=4 2621 B11R1.4 CC=CCSCc1ccon1 62a_100000234950_100000070051 [1,1,0,0,0,0|2,0,0]=4 2622 B11R1.4 CC=CCSCc1ccsc1 62a_100000070051_100011233845 [1,1,0,0,0,0|2,0,0]=4 2623 B11R1.4 CC=CCSCc1ccsc1 62a_100011261437_100000070051 [1,1,0,0,0,0|2,0,0]=4 2624 B11R1.4 CC=CCSCc1cncs1 62a_100000070051_100015185245 [1,1,0,0,0,0|1,1,0]=4 2625 B11R1.4 CC=CCSCc1cncs1 62a_100015185245_100000070051 [1,1,0,0,0,0|1,1,0]=4 2626 B11R1.4 CC=CCSCc1cscn1 62a_100000070051_100000205941 [1,1,0,0,0,0|2,0,0]=4 2627 B11R1.4 CC=CCSCc1cscn1 62a_100000205941_100000070051 [1,1,0,0,0,0|2,0,0]=4 2628 B11R1.4 CC=CCSCc1ncc[nH]1 62a_100000070051_100016991755 [1,1,0,0,0,0|2,0,0]=4 2629 B11R1.4 CC=CCSCc1ncc[nH]1 62a_100016991755_100000070051 [1,1,0,0,0,0|2,0,0]=4 2630 B11R1.4 CC=CCSCc1ncco1 62a_100000070051_103436540062 [1,1,0,0,0,0|1,0,0]=3 2631 B11R1.4 CC=CCSCc1ncco1 62a_103436540062_100000070051 [1,1,0,0,0,0|1,0,0]=3 2632 B11R1.4 CC=CCSCc1nccs1 62a_100000070051_100015184050 [1,1,0,0,0,0|1,1,0]=4 2633 B11R1.4 CC=CCSCc1nccs1 62a_100015184050_100000070051 [1,1,0,0,0,0|1,1,0]=4 2634 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,1,0,0,0,0|1,0,1]=4 2635 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,1,0,0,0,0|1,0,1]=4 2636 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,1,0,0,0,0|1,0,1]=4 2637 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,1,0,0,0,0|1,0,1]=4 2638 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,1,0,0,0,0|1,0,1]=4 2639 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,1,0,0,0,0|1,0,1]=4 2640 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,1,0,0,0,0|0,1,1]=4 2641 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [1,1,0,0,0,0|1,0,1]=4 2642 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [1,1,0,0,0,0|1,0,1]=4 2643 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,1,0,0,0,0|1,0,1]=4 2644 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,1,0,0,0,0|1,0,1]=4 2645 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,1,0,0,0,0|0,1,1]=4 2646 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,1,0,0,0,0|0,1,1]=4 2647 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [1,1,0,0,0,0|1,0,1]=4 2648 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [1,1,0,0,0,0|1,0,1]=4 2649 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [1,1,0,0,0,0|0,0,1]=3 2650 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [1,1,0,0,0,0|0,0,1]=3 2651 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [1,1,0,0,0,0|1,0,1]=4 2654 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [1,1,0,0,0,0|1,0,1]=4 2655 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [1,1,0,0,0,0|1,0,1]=4 2656 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [1,1,0,0,0,0|1,0,1]=4 2657 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [1,1,0,0,0,0|0,1,1]=4 2658 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [1,1,0,0,0,0|1,0,1]=4 2659 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [1,1,0,0,0,0|1,0,1]=4 2660 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [1,1,0,0,0,0|1,1,0]=4 2662 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [1,1,0,0,0,0|1,1,0]=4 2663 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [1,1,0,0,0,0|1,0,1]=4 2664 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [1,1,0,0,0,0|1,0,1]=4 2665 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [1,1,0,0,0,0|1,0,1]=4 2666 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [1,1,0,0,0,0|1,0,1]=4 2667 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [1,1,0,0,0,0|0,1,1]=4 2668 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [1,1,0,0,0,0|1,0,1]=4 2669 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [1,1,0,0,0,0|1,0,1]=4 2670 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [1,1,0,0,0,0|2,0,0]=4 2671 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [1,1,0,0,0,0|1,1,0]=4 2673 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [1,1,0,0,0,0|1,1,0]=4 2674 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [1,1,0,0,0,0|1,0,1]=4 2675 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [1,1,0,0,0,0|1,0,1]=4 2676 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [1,1,0,0,0,0|1,0,1]=4 2677 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [1,1,0,0,0,0|1,0,1]=4 2678 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [1,1,0,0,0,0|0,1,1]=4 2679 B11R1.4 FCCCSCc1ncco1 62a_100011934791_103436540062 [1,1,0,0,0,0|1,0,1]=4 2680 B11R1.4 FCCCSCc1ncco1 62a_103436540062_100011934791 [1,1,0,0,0,0|1,0,1]=4 2681 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [1,1,0,0,0,0|1,0,0]=3 2682 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [1,1,0,0,0,0|1,0,0]=3 2683 B11R1.4 O=CCCCSc1cccs1 62a_100011215356_200011292268 [1,1,0,0,0,0|1,1,0]=4 2684 B11R1.4 O=CCCCSc1cccs1 62a_200011292268_100011215356 [1,1,0,0,0,0|1,1,0]=4 2685 B11R1.4 O=CCCCSc1cnco1 62a_100020591547_200011292268 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.4 O=CCCCSc1cnco1 62a_200011292268_100020591547 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.4 O=CCCCSc1ncco1 62a_100011787736_200011292268 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.4 O=CCCCSc1ncco1 62a_200011292268_100011787736 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [1,1,0,0,0,0|1,0,0]=3 2690 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [1,1,0,0,0,0|1,0,0]=3 2691 B11R1.4 O=CCNCCc1cccs1 2230a_100000203755_200015260668 [1,1,0,0,0,0|1,1,0]=4 2692 B11R1.4 O=CCNCCc1cccs1 34a_100000203755_200009817547 [1,1,0,0,0,0|1,1,0]=4 2693 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [1,1,0,0,0,0|0,2,0]=4 2694 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [1,1,0,0,0,0|0,2,0]=4 2695 B11R1.4 O=CCSCCc1c[nH]cn1 62a_100020628418_200015260668 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.4 O=CCSCCc1c[nH]cn1 62a_200015260668_100020628418 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.4 O=CCSCCc1cccs1 62a_100000748579_200015260668 [1,1,0,0,0,0|0,1,0]=3 2698 B11R1.4 O=CCSCCc1cccs1 62a_200015260668_100000748579 [1,1,0,0,0,0|0,1,0]=3 2699 B11R1.4 O=CCSCCn1cccc1 62a_200009811947_200015260668 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.4 O=CCSCCn1cccc1 62a_200015260668_200000035178 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.4 O=CCSCCn1cccn1 62a_100015204718_200015260668 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.4 O=CCSCCn1cccn1 62a_200015260668_100000685285 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [1,1,0,0,0,0|1,0,1]=4 2704 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [1,1,0,0,0,0|1,0,1]=4 2705 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [1,1,0,0,0,0|1,0,1]=4 2706 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [1,1,0,0,0,0|1,0,1]=4 2707 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [1,1,0,0,0,0|0,1,1]=4 2708 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [1,1,0,0,0,0|1,0,1]=4 2709 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [1,1,0,0,0,0|1,0,1]=4 2710 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [1,1,0,0,0,0|0,0,1]=3 2711 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [1,1,0,0,0,0|0,0,1]=3 2712 B11R1.25 C=CC(C)SCc1ncco1 62a_100011215867_103436540062 [1,1,0,0,0,0|1,0,1]=4 2713 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [1,1,0,0,0,0|1,0,1]=4 2716 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [1,1,0,0,0,0|1,0,1]=4 2717 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [1,1,0,0,0,0|1,0,1]=4 2718 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [1,1,0,0,0,0|1,0,1]=4 2719 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [1,1,0,0,0,0|0,1,1]=4 2720 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [1,1,0,0,0,0|1,0,1]=4 2721 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [1,1,0,0,0,0|2,0,0]=4 2723 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [1,1,0,0,0,0|2,0,0]=4 2724 B11R1.25 COC(C)SCc1ncco1 62a_100009879195_103436540062 [1,1,0,0,0,0|2,0,0]=4 2725 B11R1.25 COC(C)SCc1ncco1 62a_103436540062_100009879195 [1,1,0,0,0,0|2,0,0]=4 2726 B11R1.27 C=CCNCc1cc(co1)Br 270004a_100020586998_100000747035 [1,1,0,0,0,0|1,0,1]=4 2727 B11R1.27 C=CCNCc1ccc(o1)Br 270004a_100020586998_100000185145 [1,1,0,0,0,0|1,0,1]=4 2728 B11R1.27 C=CCNCc1ccc(o1)Br 34a_100000708654_100015514636 [1,1,0,0,0,0|1,0,1]=4 2729 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [1,1,0,0,0,0|1,0,1]=4 2731 B11R1.27 C=CCNCc1ccc(o1)Cl 270004a_100020586998_100000188459 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [1,1,0,0,0,0|0,1,1]=4 2733 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [1,1,0,0,0,0|0,1,1]=4 2734 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [1,1,0,0,0,0|0,1,1]=4 2735 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [1,1,0,0,0,0|0,1,1]=4 2736 B11R1.27 C=CCSCc1cc(cs1)Br 62a_100000210623_100000746031 [1,1,0,0,0,0|0,1,1]=4 2737 B11R1.27 C=CCSCc1cc(cs1)Br 62a_100000746031_100000210623 [1,1,0,0,0,0|0,1,1]=4 2738 B11R1.27 C=CCSCc1cc(no1)Br 62a_100000210623_100000709089 [1,1,0,0,0,0|1,0,1]=4 2739 B11R1.27 C=CCSCc1cc(no1)Br 62a_100000709089_100000210623 [1,1,0,0,0,0|1,0,1]=4 2740 B11R1.27 C=CCSCc1cc(no1)C 62a_100000210623_100000707947 [1,1,0,0,0,0|1,0,1]=4 2741 B11R1.27 C=CCSCc1cc(no1)C 62a_100000707947_100000210623 [1,1,0,0,0,0|1,0,1]=4 2742 B11R1.27 C=CCSCc1ccc(s1)Br 62a_100000210623_100000708592 [1,1,0,0,0,0|0,1,1]=4 2743 B11R1.27 C=CCSCc1ccc(s1)Br 62a_100000708592_100000210623 [1,1,0,0,0,0|0,1,1]=4 2744 B11R1.27 C=CCSCc1ccc(s1)Cl 62a_100000185097_100000210623 [1,1,0,0,0,0|0,1,1]=4 2745 B11R1.27 C=CCSCc1ccc(s1)Cl 62a_100000210623_100000185097 [1,1,0,0,0,0|0,1,1]=4 2746 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [1,1,0,0,0,0|1,0,1]=4 2747 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [1,1,0,0,0,0|1,0,1]=4 2748 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [1,1,0,0,0,0|1,0,1]=4 2749 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [1,1,0,0,0,0|1,0,1]=4 2750 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [1,1,0,0,0,0|1,0,1]=4 2751 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [1,1,0,0,0,0|1,0,1]=4 2752 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [1,1,0,0,0,0|1,0,1]=4 2753 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [1,1,0,0,0,0|1,0,1]=4 2754 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [1,1,0,0,0,0|1,0,1]=4 2755 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [1,1,0,0,0,0|1,0,1]=4 2756 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [1,1,0,0,0,0|0,1,1]=4 2757 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [1,1,0,0,0,0|0,1,1]=4 2758 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [1,1,0,0,0,0|0,1,1]=4 2759 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [1,1,0,0,0,0|0,1,1]=4 2760 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000210303_100000746031 [1,1,0,0,0,0|0,1,1]=4 2761 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000746031_100000210303 [1,1,0,0,0,0|0,1,1]=4 2762 B11R1.27 CCCSCc1cc(no1)Br 62a_100000210303_100000709089 [1,1,0,0,0,0|1,0,1]=4 2763 B11R1.27 CCCSCc1cc(no1)Br 62a_100000709089_100000210303 [1,1,0,0,0,0|1,0,1]=4 2764 B11R1.27 CCCSCc1cc(no1)C 62a_100000210303_100000707947 [1,1,0,0,0,0|1,0,1]=4 2765 B11R1.27 CCCSCc1cc(no1)C 62a_100000707947_100000210303 [1,1,0,0,0,0|1,0,1]=4 2766 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000210303_100000708592 [1,1,0,0,0,0|0,1,1]=4 2767 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000708592_100000210303 [1,1,0,0,0,0|0,1,1]=4 2768 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000185097_100000210303 [1,1,0,0,0,0|0,1,1]=4 2769 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000210303_100000185097 [1,1,0,0,0,0|0,1,1]=4 2770 B11R1.27 COCSCc1cc(cs1)Br 62a_100000746031_100000766300 [1,1,0,0,0,0|1,1,0]=4 2771 B11R1.27 COCSCc1cc(cs1)Br 62a_100000766300_100000746031 [1,1,0,0,0,0|1,1,0]=4 2772 B11R1.27 COCSCc1cc(no1)Br 62a_100000709089_100000766300 [1,1,0,0,0,0|2,0,0]=4 2773 B11R1.27 COCSCc1cc(no1)Br 62a_100000766300_100000709089 [1,1,0,0,0,0|2,0,0]=4 2774 B11R1.27 COCSCc1cc(no1)C 62a_100000707947_100000766300 [1,1,0,0,0,0|2,0,0]=4 2775 B11R1.27 COCSCc1cc(no1)C 62a_100000766300_100000707947 [1,1,0,0,0,0|2,0,0]=4 2776 B11R1.27 COCSCc1ccc(s1)Br 62a_100000708592_100000766300 [1,1,0,0,0,0|1,1,0]=4 2777 B11R1.27 COCSCc1ccc(s1)Br 62a_100000766300_100000708592 [1,1,0,0,0,0|1,1,0]=4 2778 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000185097_100000766300 [1,1,0,0,0,0|1,1,0]=4 2779 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000766300_100000185097 [1,1,0,0,0,0|1,1,0]=4 2780 B11R1.27 CSCNCc1ccc(o1)Br 34a_100000708654_100011218213 [1,1,0,0,0,0|2,0,0]=4 2781 B11R1.27 CSCNCc1ccc(o1)C 34a_100011194323_100011218213 [1,1,0,0,0,0|2,0,0]=4 2782 B11R1.27 CSCOCc1ccc(o1)Br 34a_100000246276_100011218213 [1,1,0,0,0,0|1,1,0]=4 2783 B11R1.27 CSCOCc1ccc(o1)C 34a_100011232665_100011218213 [1,1,0,0,0,0|1,1,0]=4 2784 B11R1.27 CSCSCc1cc(cs1)Br 62a_100000746031_100011218213 [1,1,0,0,0,0|1,1,0]=4 2785 B11R1.27 CSCSCc1cc(cs1)Br 62a_100011218213_100000746031 [1,1,0,0,0,0|1,1,0]=4 2786 B11R1.27 CSCSCc1cc(no1)Br 62a_100000709089_100011218213 [1,1,0,0,0,0|2,0,0]=4 2787 B11R1.27 CSCSCc1cc(no1)Br 62a_100011218213_100000709089 [1,1,0,0,0,0|2,0,0]=4 2788 B11R1.27 CSCSCc1cc(no1)C 62a_100000707947_100011218213 [1,1,0,0,0,0|2,0,0]=4 2789 B11R1.27 CSCSCc1cc(no1)C 62a_100011218213_100000707947 [1,1,0,0,0,0|2,0,0]=4 2790 B11R1.27 CSCSCc1ccc(s1)Br 62a_100000708592_100011218213 [1,1,0,0,0,0|1,1,0]=4 2791 B11R1.27 CSCSCc1ccc(s1)Br 62a_100011218213_100000708592 [1,1,0,0,0,0|1,1,0]=4 2792 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100000185097_100011218213 [1,1,0,0,0,0|1,1,0]=4 2793 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100011218213_100000185097 [1,1,0,0,0,0|1,1,0]=4 2794 B11R1.27 Cc1cc(no1)CSCC=O 62a_100000199038_200015260668 [1,1,0,0,0,0|2,0,0]=4 2795 B11R1.27 Cc1cc(no1)CSCC=O 62a_200015260668_100000199038 [1,1,0,0,0,0|2,0,0]=4 2796 B11R1.27 Cc1cc(on1)CNCC=O 2230a_100000745748_200015260668 [1,1,0,0,0,0|2,0,0]=4 2797 B11R1.27 Cc1cc(on1)CNCC=O 34a_100000745748_200009817547 [1,1,0,0,0,0|2,0,0]=4 2798 B11R1.27 Cc1cc(on1)COCC=O 34a_100000684692_200009817547 [1,1,0,0,0,0|1,1,0]=4 2799 B11R1.27 Cc1cc(on1)CSCC=O 62a_100000707947_200015260668 [1,1,0,0,0,0|1,0,0]=3 2800 B11R1.27 Cc1cc(on1)CSCC=O 62a_200015260668_100000707947 [1,1,0,0,0,0|1,0,0]=3 2801 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [1,1,0,0,0,0|1,0,0]=3 2802 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [1,1,0,0,0,0|0,1,0]=3 2803 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [1,1,0,0,0,0|0,1,0]=3 2804 B11R1.27 Cc1ccc(s1)CNCC=O 2230a_100000238518_200015260668 [1,1,0,0,0,0|1,1,0]=4 2805 B11R1.27 Cc1ccc(s1)COCC=O 34a_100000238367_200009817547 [1,1,0,0,0,0|0,2,0]=4 2806 B11R1.27 Cc1cnc(o1)CNCC=O 2230a_100138411809_200015260668 [1,1,0,0,0,0|2,0,0]=4 2807 B11R1.27 Cc1cnc(o1)CNCC=O 34a_100138411809_200009817547 [1,1,0,0,0,0|2,0,0]=4 2808 B11R1.27 Cc1csc(c1)CNCC=O 2230a_100015204214_200015260668 [1,1,0,0,0,0|1,1,0]=4 2809 B11R1.27 Cc1csc(c1)CNCC=O 34a_100015204214_200009817547 [1,1,0,0,0,0|1,1,0]=4 2810 B11R1.27 Cc1csc(c1)COCC=O 34a_200000068372_200009817547 [1,1,0,0,0,0|0,2,0]=4 2811 B11R1.27 Cc1csc(c1)COCC=O 7a_200000068372_200015260668 [1,1,0,0,0,0|0,2,0]=4 2812 B11R1.27 Cc1nc(cs1)CSCC=O 62a_100015186478_200015260668 [1,1,0,0,0,0|2,0,0]=4 2813 B11R1.27 Cc1nc(cs1)CSCC=O 62a_200015260668_100015186478 [1,1,0,0,0,0|2,0,0]=4 2814 B11R1.27 Cc1ncc(s1)CSCC=O 62a_100020635045_200015260668 [1,1,0,0,0,0|1,1,0]=4 2815 B11R1.27 Cc1ncc(s1)CSCC=O 62a_200015260668_100020635045 [1,1,0,0,0,0|1,1,0]=4 2816 B11R1.27 Cc1nnc(o1)CSCC=O 62a_100000181450_200015260668 [1,1,0,0,0,0|2,0,0]=4 2817 B11R1.27 Cc1nnc(o1)CSCC=O 62a_200015260668_100000181450 [1,1,0,0,0,0|2,0,0]=4 2818 B11R1.27 Cc1noc(n1)CSCC=O 62a_100000735555_200015260668 [1,1,0,0,0,0|2,0,0]=4 2819 B11R1.27 Cc1noc(n1)CSCC=O 62a_200015260668_100000735555 [1,1,0,0,0,0|2,0,0]=4 2820 B11R1.27 Cn1ccc(n1)CSCC=O 62a_100000726502_200015260668 [1,1,0,0,0,0|2,0,0]=4 2821 B11R1.27 Cn1ccc(n1)CSCC=O 62a_200015260668_100000726502 [1,1,0,0,0,0|2,0,0]=4 2822 B11R1.27 Cn1cnc(c1)CSCC=O 62a_100000717665_200015260668 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.27 Cn1cnc(c1)CSCC=O 62a_200015260668_100000717665 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.27 O=CCNCc1cc(cs1)Br 2230a_100000741024_200015260668 [1,1,0,0,0,0|1,1,0]=4 2825 B11R1.27 O=CCNCc1cc(cs1)Br 34a_100000741024_200009817547 [1,1,0,0,0,0|1,1,0]=4 2826 B11R1.27 O=CCNCc1cc(no1)Br 2230a_100015193020_200015260668 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.27 O=CCNCc1cc(no1)Br 34a_100015193020_200009817547 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [1,1,0,0,0,0|1,0,0]=3 2829 B11R1.27 O=CCNCc1ccc(s1)Cl 2230a_100000737310_200015260668 [1,1,0,0,0,0|1,1,0]=4 2830 B11R1.27 O=CCOCc1cc(cs1)Br 34a_100000238369_200009817547 [1,1,0,0,0,0|0,2,0]=4 2831 B11R1.27 O=CCOCc1cc(cs1)Br 7a_100000238369_200015260668 [1,1,0,0,0,0|0,2,0]=4 2832 B11R1.27 O=CCOCc1cc(no1)Br 34a_100009816691_200009817547 [1,1,0,0,0,0|1,1,0]=4 2833 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [1,1,0,0,0,0|0,1,0]=3 2834 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [1,1,0,0,0,0|0,1,0]=3 2835 B11R1.27 O=CCSCC1=CC(=O)OC1 62a_100000716558_200015260668 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.27 O=CCSCC1=CC(=O)OC1 62a_200015260668_100000716558 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.27 O=CCSCc1cc(cs1)Br 62a_100000746031_200015260668 [1,1,0,0,0,0|0,1,0]=3 2838 B11R1.27 O=CCSCc1cc(cs1)Br 62a_200015260668_100000746031 [1,1,0,0,0,0|0,1,0]=3 2839 B11R1.27 O=CCSCc1cc(no1)Br 62a_100000709089_200015260668 [1,1,0,0,0,0|1,0,0]=3 2840 B11R1.27 O=CCSCc1cc(no1)Br 62a_200015260668_100000709089 [1,1,0,0,0,0|1,0,0]=3 2841 B11R1.27 O=CCSCc1ccc(s1)Br 62a_100000708592_200015260668 [1,1,0,0,0,0|0,1,0]=3 2842 B11R1.27 O=CCSCc1ccc(s1)Br 62a_200015260668_100000708592 [1,1,0,0,0,0|0,1,0]=3 2843 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_100000185097_200015260668 [1,1,0,0,0,0|0,1,0]=3 2844 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_200015260668_100000185097 [1,1,0,0,0,0|0,1,0]=3 2845 B11R1.27 O=CCSCc1cnc(s1)Br 62a_100000717027_200015260668 [1,1,0,0,0,0|1,1,0]=4 2846 B11R1.27 O=CCSCc1cnc(s1)Br 62a_200015260668_100000717027 [1,1,0,0,0,0|1,1,0]=4 2847 B11R1.27 O=CCSCc1cnc(s1)Cl 62a_100000058068_200015260668 [1,1,0,0,0,0|1,1,0]=4 2848 B11R1.27 O=CCSCc1cnc(s1)Cl 62a_200015260668_100000058068 [1,1,0,0,0,0|1,1,0]=4 2849 B11R1.27 O=CCSCc1csc(n1)Cl 62a_100000024076_200015260668 [1,1,0,0,0,0|2,0,0]=4 2850 B11R1.27 O=CCSCc1csc(n1)Cl 62a_200015260668_100000024076 [1,1,0,0,0,0|2,0,0]=4 2851 B11R1.29 C=CCN[C@H](C)c1ccco1 2230a_100160469435_100000210623 [1,1,0,0,0,0|1,0,1]=4 2852 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [1,1,0,0,0,0|0,1,1]=4 2853 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [1,1,0,0,0,0|0,1,1]=4 2854 B11R1.29 CC(NCC=O)c1cccs1 2230a_100000703493_200015260668 [1,1,0,0,0,0|1,1,0]=4 2855 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [1,1,0,0,0,0|1,0,1]=4 2856 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [1,1,0,0,0,0|0,1,1]=4 2857 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [1,1,0,0,0,0|0,1,1]=4 2858 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [1,1,0,0,0,0|2,0,0]=4 2860 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [1,1,0,0,0,0|1,1,0]=4 2861 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [1,1,0,0,0,0|1,0,0]=3 2862 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [1,1,0,0,0,0|0,2,0]=4 2863 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [1,1,0,0,0,0|0,1,0]=3 2864 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [1,1,0,0,0,0|0,1,0]=3 2865 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [1,1,0,0,0,0|1,0,1]=4 2866 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [1,1,0,0,0,0|1,0,1]=4 2867 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [1,1,0,0,0,0|1,0,1]=4 2868 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [1,1,0,0,0,0|1,0,1]=4 2869 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [1,1,0,0,0,0|1,0,1]=4 2870 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [1,1,0,0,0,0|1,0,1]=4 2871 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [1,1,0,0,0,0|1,0,1]=4 2872 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [1,1,0,0,0,0|1,0,1]=4 2873 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [1,1,0,0,0,0|1,0,1]=4 2874 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [1,1,0,0,0,0|1,0,1]=4 2875 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [1,1,0,0,0,0|1,0,1]=4 2876 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [1,1,0,0,0,0|1,0,1]=4 2877 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [1,1,0,0,0,0|1,0,0]=3 2878 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [1,1,0,0,0,0|1,0,0]=3 2879 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [1,1,0,0,0,0|1,1,0]=4 2880 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [1,1,0,0,0,0|1,1,0]=4 2881 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.180 C=CCNCc1occc1Br 270004a_100020586998_100000756499 [1,1,0,0,0,0|1,0,1]=4 2886 B11R1.180 C=CCNCc1occc1C 270004a_100020586998_100000763527 [1,1,0,0,0,0|1,0,1]=4 2887 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [1,1,0,0,0,0|0,1,1]=4 2888 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [1,1,0,0,0,0|0,1,1]=4 2889 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [1,1,0,0,0,0|1,0,1]=4 2890 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [1,1,0,0,0,0|1,0,1]=4 2891 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [1,1,0,0,0,0|1,0,1]=4 2892 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [1,1,0,0,0,0|0,1,1]=4 2893 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [1,1,0,0,0,0|0,1,1]=4 2894 B11R1.180 CSCOCc1occc1C 34a_100011273948_100011218213 [1,1,0,0,0,0|1,1,0]=4 2895 B11R1.180 Cc1[nH]cnc1CSCC=O 62a_100000751220_200015260668 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.180 Cc1[nH]cnc1CSCC=O 62a_200015260668_100000751220 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [1,1,0,0,0,0|0,1,0]=3 2898 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [1,1,0,0,0,0|0,1,0]=3 2899 B11R1.180 Cc1ccsc1CNCC=O 2230a_100000238519_200015260668 [1,1,0,0,0,0|1,1,0]=4 2900 B11R1.180 Cc1ccsc1CNCC=O 34a_100000238519_200009817547 [1,1,0,0,0,0|1,1,0]=4 2901 B11R1.180 Cc1ccsc1COCC=O 34a_100000238368_200009817547 [1,1,0,0,0,0|0,2,0]=4 2902 B11R1.180 Cc1ccsc1COCC=O 7a_100000238368_200015260668 [1,1,0,0,0,0|0,2,0]=4 2903 B11R1.180 Cc1cnoc1COCC=O 34a_200011065769_200009817547 [1,1,0,0,0,0|1,1,0]=4 2904 B11R1.180 Cc1ncoc1COCC=O 34a_100000717716_200009817547 [1,1,0,0,0,0|1,1,0]=4 2905 B11R1.180 Cc1ncoc1COCC=O 7a_100000717716_200015260668 [1,1,0,0,0,0|1,1,0]=4 2906 B11R1.180 Cc1ocnc1CSCC=O 62a_200000693990_200015260668 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.180 Cc1ocnc1CSCC=O 62a_200015260668_200000693990 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.180 Cn1cccc1CNCC=O 34a_100011219357_200009817547 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.180 Cn1ccnc1CSCC=O 62a_100000700302_200015260668 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.180 Cn1ccnc1CSCC=O 62a_200015260668_100000700302 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.180 Cn1nccc1CSCC=O 62a_100000691648_200015260668 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.180 Cn1nccc1CSCC=O 62a_200015260668_100000691648 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.180 O=CCNCc1sccc1Cl 2230a_100011934584_200015260668 [1,1,0,0,0,0|1,1,0]=4 2914 B11R1.180 O=CCNCc1sccc1Cl 34a_100011934584_200009817547 [1,1,0,0,0,0|1,1,0]=4 2915 B11R1.180 O=CCOCc1sccc1Br 34a_100000702026_200009817547 [1,1,0,0,0,0|0,2,0]=4 2916 B11R1.180 O=CCOCc1sccc1Cl 34a_100000722387_200009817547 [1,1,0,0,0,0|0,2,0]=4 2917 B11R1.180 O=CCOCc1sccc1Cl 7a_100000722387_200015260668 [1,1,0,0,0,0|0,2,0]=4 2918 B11R1.180 O=CCSCc1ccsc1Br 62a_100009814289_200015260668 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.180 O=CCSCc1ccsc1Br 62a_200015260668_100009814289 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.180 O=CCSCc1ccsc1Cl 62a_100010167017_200015260668 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.180 O=CCSCc1ccsc1Cl 62a_200015260668_100010167017 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,1,0|0,0,2]=4 2923 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,1,0|0,0,2]=4 2924 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,1,0,0,1,0|2,0,0]=4 2925 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [0,1,0,0,1,0|2,0,0]=4 2926 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [0,1,0,0,1,0|2,0,0]=4 2927 B11R1.35 CC(=O)C(C)Sc1cc[nH]n1 62a_100000062575_100009814033 [0,1,0,0,1,0|2,0,0]=4 2928 B11R1.35 CC(=O)C(C)Sc1cc[nH]n1 62a_100009814033_100000062575 [0,1,0,0,1,0|2,0,0]=4 2929 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,1,0,0,1,0|0,0,0]=2 2930 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,1,0,0,1,0|0,0,0]=2 2931 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,1,0|0,1,0]=3 2932 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,1,0|0,1,0]=3 2933 B11R1.35 CC(=O)C(C)Sc1ccoc1 62a_100009814033_100011215275 [0,1,0,0,1,0|2,0,0]=4 2934 B11R1.35 CC(=O)C(C)Sc1ccoc1 62a_100011215275_100009814033 [0,1,0,0,1,0|2,0,0]=4 2935 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009814033_100009818083 [0,1,0,0,1,0|2,0,0]=4 2936 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009818083_100009814033 [0,1,0,0,1,0|2,0,0]=4 2937 B11R1.35 CC(=O)C(C)Sc1ccsc1 62a_100000738268_100009814033 [0,1,0,0,1,0|2,0,0]=4 2938 B11R1.35 CC(=O)C(C)Sc1ccsc1 62a_100009814033_100000738268 [0,1,0,0,1,0|2,0,0]=4 2939 B11R1.35 CC(=O)C(C)Sc1ccsn1 62a_100009814033_100009818082 [0,1,0,0,1,0|2,0,0]=4 2940 B11R1.35 CC(=O)C(C)Sc1ccsn1 62a_100009818082_100009814033 [0,1,0,0,1,0|2,0,0]=4 2941 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [0,1,0,0,1,0|1,0,0]=3 2942 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [0,1,0,0,1,0|1,0,0]=3 2943 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100009814033_100011934649 [0,1,0,0,1,0|1,1,0]=4 2944 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100011934649_100009814033 [0,1,0,0,1,0|1,1,0]=4 2945 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100000751502_100009814033 [0,1,0,0,1,0|2,0,0]=4 2946 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100009814033_100000751502 [0,1,0,0,1,0|2,0,0]=4 2947 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100009814033_100025796157 [0,1,0,0,1,0|2,0,0]=4 2948 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100025796157_100009814033 [0,1,0,0,1,0|2,0,0]=4 2949 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [0,1,0,0,1,0|1,0,0]=3 2950 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [0,1,0,0,1,0|1,0,0]=3 2951 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100000211983_100009814033 [0,1,0,0,1,0|1,1,0]=4 2952 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100009814033_100000211983 [0,1,0,0,1,0|1,1,0]=4 2953 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,1,0|1,0,0]=3 2954 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,1,0|1,0,0]=3 2955 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,1,0|1,0,0]=3 2956 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,1,0|1,1,0]=4 2957 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,1,0|1,1,0]=4 2958 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,1,0|1,1,0]=4 2959 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,1,0,0,1,0|2,0,0]=4 2960 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,1,0,0,1,0|2,0,0]=4 2961 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,1,0,0,1,0|1,0,0]=3 2962 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,1,0,0,1,0|1,0,0]=3 2963 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100000702099_100011215356 [0,1,0,0,1,0|1,1,0]=4 2964 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100011215356_100000702099 [0,1,0,0,1,0|1,1,0]=4 2965 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100000702099_100020591547 [0,1,0,0,1,0|2,0,0]=4 2966 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100020591547_100000702099 [0,1,0,0,1,0|2,0,0]=4 2967 B11R1.35 CC(Sc1ncco1)C(=O)N 62a_100000702099_100011787736 [0,1,0,0,1,0|2,0,0]=4 2968 B11R1.35 CC(Sc1ncco1)C(=O)N 62a_100011787736_100000702099 [0,1,0,0,1,0|2,0,0]=4 2969 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,1,0,0,1,0|1,0,0]=3 2970 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,1,0,0,1,0|1,0,0]=3 2971 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100009813875_100011215356 [0,1,0,0,1,0|1,1,0]=4 2972 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100011215356_100009813875 [0,1,0,0,1,0|1,1,0]=4 2973 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100009813875_100020591547 [0,1,0,0,1,0|2,0,0]=4 2974 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100020591547_100009813875 [0,1,0,0,1,0|2,0,0]=4 2975 B11R1.35 NC(=O)C(F)Sc1ncco1 62a_100009813875_100011787736 [0,1,0,0,1,0|2,0,0]=4 2976 B11R1.35 NC(=O)C(F)Sc1ncco1 62a_100011787736_100009813875 [0,1,0,0,1,0|2,0,0]=4 2977 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,1,0,0,1,0|1,0,0]=3 2978 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,1,0,0,1,0|1,0,0]=3 2979 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100011215356_100020610796 [0,1,0,0,1,0|1,1,0]=4 2980 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100020610796_100011215356 [0,1,0,0,1,0|1,1,0]=4 2981 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020591547_100020610796 [0,1,0,0,1,0|2,0,0]=4 2982 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020610796_100020591547 [0,1,0,0,1,0|2,0,0]=4 2983 B11R1.35 O=C([O-])C(F)Sc1ncco1 62a_100011787736_100020610796 [0,1,0,0,1,0|2,0,0]=4 2984 B11R1.35 O=C([O-])C(F)Sc1ncco1 62a_100020610796_100011787736 [0,1,0,0,1,0|2,0,0]=4 2985 B11R1.75 C=C(C)CSc1cc(cs1)C 62a_100000748629_100009876951 [0,1,0,0,1,0|1,1,0]=4 2986 B11R1.75 C=C(C)CSc1cc(cs1)C 62a_100009876951_100000211660 [0,1,0,0,1,0|1,1,0]=4 2987 B11R1.75 C=C(C)CSc1ccc(s1)Br 62a_100000748629_100010197418 [0,1,0,0,1,0|1,1,0]=4 2988 B11R1.75 C=C(C)CSc1ccc(s1)Br 62a_100010197418_100000211660 [0,1,0,0,1,0|1,1,0]=4 2989 B11R1.75 C=C(C)CSc1ccc(s1)C 62a_100000031368_100000211660 [0,1,0,0,1,0|1,1,0]=4 2990 B11R1.75 C=C(C)CSc1ccc(s1)C 62a_100000748629_100000031368 [0,1,0,0,1,0|1,1,0]=4 2991 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,1,0|0,0,2]=4 2992 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,1,0|0,0,2]=4 2993 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,1,0|0,0,2]=4 2994 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,1,0,0,1,0|1,0,0]=3 2995 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,0,1,0|2,0,0]=4 2996 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,1,0,0,1,0|2,0,0]=4 2997 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000070787_100011353933 [0,1,0,0,1,0|2,0,0]=4 2998 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000743157_200000210301 [0,1,0,0,1,0|2,0,0]=4 2999 B11R1.75 CC(=O)CCn1cc(cn1)I 1458a_100012072392_200000210301 [0,1,0,0,1,0|2,0,0]=4 3000 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,0,1,0|2,0,0]=4 3001 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,0,1,0|2,0,0]=4 3002 B11R1.75 CC(=O)CSc1nnc(o1)C 1458a_200000179512_200000210301 [0,1,0,0,1,0|2,0,0]=4 3003 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,1,0|1,1,0]=4 3004 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,1,0|1,1,0]=4 3005 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,1,0|1,1,0]=4 3006 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,1,0|1,1,0]=4 3007 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,1,0|1,1,0]=4 3008 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,1,0|1,1,0]=4 3009 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,1,0|1,1,0]=4 3010 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,1,0|1,1,0]=4 3011 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,1,0,0,1,0|2,0,0]=4 3012 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,1,0,0,1,0|2,0,0]=4 3013 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,1,0,0,1,0|2,0,0]=4 3014 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,1,0,0,1,0|2,0,0]=4 3015 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,1,0,0,1,0|2,0,0]=4 3016 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,1,0,0,1,0|2,0,0]=4 3017 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,1,0|1,0,0]=3 3018 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,1,0|1,0,0]=3 3019 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,1,0|1,0,0]=3 3020 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,1,0|1,0,0]=3 3021 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,1,0|1,0,0]=3 3022 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,1,0|1,0,0]=3 3023 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,1,0|1,0,0]=3 3024 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,1,0|1,0,0]=3 3025 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,1,0|1,1,0]=4 3026 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,1,0|1,1,0]=4 3027 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,1,0|1,1,0]=4 3028 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,1,0|1,1,0]=4 3029 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,1,0|1,1,0]=4 3030 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,1,0|1,1,0]=4 3031 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,1,0|1,1,0]=4 3032 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,1,0|1,1,0]=4 3033 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,1,0|1,1,0]=4 3034 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,1,0|1,1,0]=4 3035 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,1,0|1,1,0]=4 3036 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,1,0|1,1,0]=4 3037 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,1,0|2,0,0]=4 3038 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,1,0|2,0,0]=4 3039 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,1,0|2,0,0]=4 3040 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,1,0|2,0,0]=4 3041 B11R1.75 CC(=O)SCc1nc(no1)C 270196a_100000212224_100000049016 [0,1,0,0,1,0|2,0,0]=4 3042 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,1,0|0,0,2]=4 3043 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [0,1,0,0,1,0|1,1,0]=4 3044 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [0,1,0,0,1,0|1,1,0]=4 3045 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [0,1,0,0,1,0|1,1,0]=4 3046 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [0,1,0,0,1,0|1,1,0]=4 3047 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,0,1,0|2,0,0]=4 3048 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,1,0,0,1,0|2,0,0]=4 3049 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100000747473_100009876951 [0,1,0,0,1,0|1,1,0]=4 3050 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100009876951_100000747473 [0,1,0,0,1,0|1,1,0]=4 3051 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100009876951_100020667443 [0,1,0,0,1,0|1,1,0]=4 3052 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100020667443_100009876951 [0,1,0,0,1,0|1,1,0]=4 3053 B11R1.75 Cc1nnc(o1)SCC(=O)[13CH3] 1458a_200000179512_200025704644 [0,1,0,0,1,0|2,0,0]=4 3054 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100000747473_100010197418 [0,1,0,0,1,0|1,1,0]=4 3055 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747473 [0,1,0,0,1,0|1,1,0]=4 3056 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100010197418_100020667443 [0,1,0,0,1,0|1,1,0]=4 3057 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100020667443_100010197418 [0,1,0,0,1,0|1,1,0]=4 3058 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,1,0|0,0,2]=4 3059 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,1,0|0,0,2]=4 3060 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,1,0,0,1,0|1,0,0]=3 3061 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)Cl 1458a_100000743157_200025704644 [0,1,0,0,1,0|2,0,0]=4 3062 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)I 1458a_100012072392_200025704644 [0,1,0,0,1,0|2,0,0]=4 3063 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,1,0,0,1,0|1,0,1]=4 3064 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,1,0,0,1,0|0,0,1]=3 3065 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,1,0|0,1,1]=4 3066 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,1,0,0,1,0|2,0,0]=4 3067 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,1,0|1,1,0]=4 3068 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,1,0|1,1,0]=4 3069 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,1,0|1,1,0]=4 3070 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,1,0|1,1,0]=4 3071 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,1,0|1,0,0]=3 3072 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,1,0|1,0,0]=3 3073 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,1,0|1,0,0]=3 3074 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,1,0|1,0,0]=3 3075 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,1,0|1,0,1]=4 3076 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,1,0,0,1,0|2,0,0]=4 3077 B11R1.90 C=C(C)CSc1sccc1Br 62a_100000748629_100012361411 [0,1,0,0,1,0|1,1,0]=4 3078 B11R1.90 C=C(C)CSc1sccc1Br 62a_100012361411_100000211660 [0,1,0,0,1,0|1,1,0]=4 3079 B11R1.90 C=C(C)CSc1sccc1C 62a_100000748629_100010247149 [0,1,0,0,1,0|1,1,0]=4 3080 B11R1.90 C=C(C)CSc1sccc1C 62a_100010247149_100000211660 [0,1,0,0,1,0|1,1,0]=4 3081 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,1,0,0,1,0|2,0,0]=4 3082 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,0,1,0|2,0,0]=4 3083 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,1,0|1,1,0]=4 3084 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,1,0|1,1,0]=4 3085 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,0,1,0|2,0,0]=4 3086 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,0,1,0|2,0,0]=4 3087 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,0,1,0|2,0,0]=4 3088 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,0,1,0|2,0,0]=4 3089 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,0,1,0|2,0,0]=4 3090 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,0,1,0|2,0,0]=4 3091 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,1,0|1,1,0]=4 3092 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,1,0|1,1,0]=4 3093 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,1,0|1,1,0]=4 3094 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,1,0|1,1,0]=4 3095 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,1,0|1,1,0]=4 3096 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,1,0|1,1,0]=4 3097 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,1,0|1,1,0]=4 3098 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,1,0|1,1,0]=4 3099 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,0,1,0|2,0,0]=4 3100 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [0,1,0,0,1,0|1,1,0]=4 3101 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [0,1,0,0,1,0|1,1,0]=4 3102 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [0,1,0,0,1,0|1,1,0]=4 3103 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [0,1,0,0,1,0|1,1,0]=4 3104 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,1,0|1,1,0]=4 3105 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,0,1,0|2,0,0]=4 3106 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,1,0,0,1,0|2,0,0]=4 3107 B11R1.90 NC(=O)CSc1sccc1Br 62a_100000747473_100012361411 [0,1,0,0,1,0|1,1,0]=4 3108 B11R1.90 NC(=O)CSc1sccc1Br 62a_100012361411_100000747473 [0,1,0,0,1,0|1,1,0]=4 3109 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100012361411_100020667443 [0,1,0,0,1,0|1,1,0]=4 3110 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100020667443_100012361411 [0,1,0,0,1,0|1,1,0]=4 3111 B11R1.510 CC(C)(C)CSc1ccco1 62a_100009814098_100011219605 [0,1,0,0,1,0|1,0,1]=4 3112 B11R1.510 CC(C)(C)CSc1ccco1 62a_100011219605_100009814098 [0,1,0,0,1,0|1,0,1]=4 3113 B11R1.510 CC(C)(F)CSc1ccco1 62a_100009814098_100011997219 [0,1,0,0,1,0|1,0,1]=4 3114 B11R1.510 CC(C)(F)CSc1ccco1 62a_100011997219_100009814098 [0,1,0,0,1,0|1,0,1]=4 3115 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,1,0,0,1,0|0,0,2]=4 3116 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,1,0,0,1,0|0,0,2]=4 3117 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,1,0,0,1,0|2,0,0]=4 3118 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_100009814098_200000036245 [0,1,0,0,1,0|2,0,0]=4 3119 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_200000036245_100009814098 [0,1,0,0,1,0|2,0,0]=4 3120 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100000037933_100009814098 [0,1,0,0,1,0|1,1,0]=4 3121 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100009814098_100000037933 [0,1,0,0,1,0|1,1,0]=4 3122 B11R1.510 NS(=O)(=O)CSc1ccco1 62a_100000741382_100009814098 [0,1,0,0,1,0|2,0,0]=4 3123 B11R1.510 NS(=O)(=O)CSc1ccco1 62a_100009814098_100000741382 [0,1,0,0,1,0|2,0,0]=4 3124 B11R1.510 O=S(=O)([O-])CSc1ccco1 62a_100009814098_100009817235 [0,1,0,0,1,0|2,0,0]=4 3125 B11R1.510 O=S(=O)([O-])CSc1ccco1 62a_100009817235_100009814098 [0,1,0,0,1,0|2,0,0]=4 3126 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [0,1,0,0,0,1|2,0,0]=4 3127 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [0,1,0,0,0,1|2,0,0]=4 3128 B13R1.45 C=C(C)CSC(C)c1cnccn1 62a_100000748629_200000703233 [0,1,0,0,0,1|2,0,0]=4 3129 B13R1.45 C=C(C)CSC(C)c1cnccn1 62a_200000703233_100000211660 [0,1,0,0,0,1|2,0,0]=4 3130 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,0,0,0,1|2,0,0]=4 3131 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,0,0,0,1|1,1,0]=4 3132 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,1,0,0,0,1|1,0,1]=4 3133 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,1,0,0,0,1|2,0,0]=4 3134 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,1,0,0,0,1|2,0,0]=4 3135 B13R1.45 CC(SCC(=O)N)c1cnccn1 62a_100000747473_200000703233 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.45 CC(SCC(=O)N)c1cnccn1 62a_200000703233_100000747473 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,1,0,0,0,1|2,0,0]=4 3138 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,1,0,0,0,1|2,0,0]=4 3139 B13R1.45 CC(SCC(=O)[O-])c1cnccn1 62a_100020667443_200000703233 [0,1,0,0,0,1|2,0,0]=4 3140 B13R1.45 CC(SCC(=O)[O-])c1cnccn1 62a_200000703233_100020667443 [0,1,0,0,0,1|2,0,0]=4 3141 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,1,0,0,0,1|1,0,1]=4 3142 B13R1.149 C=C(C)CSCc1cc(ccn1)Br 62a_100000748629_100010173614 [0,1,0,0,0,1|2,0,0]=4 3143 B13R1.149 C=C(C)CSCc1cc(ccn1)Br 62a_100010173614_100000211660 [0,1,0,0,0,1|2,0,0]=4 3144 B13R1.149 C=C(C)CSCc1cc(ccn1)C 62a_100000718516_100000211660 [0,1,0,0,0,1|2,0,0]=4 3145 B13R1.149 C=C(C)CSCc1cc(ccn1)C 62a_100000748629_100000718516 [0,1,0,0,0,1|2,0,0]=4 3146 B13R1.149 C=C(C)CSCc1cc(ccn1)Cl 62a_100000748629_100016988179 [0,1,0,0,0,1|2,0,0]=4 3147 B13R1.149 C=C(C)CSCc1cc(ccn1)Cl 62a_100016988179_100000211660 [0,1,0,0,0,1|2,0,0]=4 3148 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000211773_100000211660 [0,1,0,0,0,1|2,0,0]=4 3149 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000748629_100000211773 [0,1,0,0,0,1|2,0,0]=4 3150 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000211840_100000211660 [0,1,0,0,0,1|2,0,0]=4 3151 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000748629_100000211840 [0,1,0,0,0,1|2,0,0]=4 3152 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000187163_100000211660 [0,1,0,0,0,1|2,0,0]=4 3153 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000748629_100000187163 [0,1,0,0,0,1|2,0,0]=4 3154 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000230114_100000211660 [0,1,0,0,0,1|2,0,0]=4 3155 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000748629_100000230114 [0,1,0,0,0,1|2,0,0]=4 3156 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100000748629_100011218688 [0,1,0,0,0,1|2,0,0]=4 3157 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100011218688_100000211660 [0,1,0,0,0,1|2,0,0]=4 3158 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100000748629_100011660834 [0,1,0,0,0,1|2,0,0]=4 3159 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100011660834_100000211660 [0,1,0,0,0,1|2,0,0]=4 3160 B13R1.149 C=C(C)CSCc1cccc(n1)Br 62a_100000748629_100009889011 [0,1,0,0,0,1|2,0,0]=4 3161 B13R1.149 C=C(C)CSCc1cccc(n1)Br 62a_100009889011_100000211660 [0,1,0,0,0,1|2,0,0]=4 3162 B13R1.149 C=C(C)CSCc1cccc(n1)C 62a_100000748629_100000757606 [0,1,0,0,0,1|2,0,0]=4 3163 B13R1.149 C=C(C)CSCc1cccc(n1)C 62a_100000757606_100000211660 [0,1,0,0,0,1|2,0,0]=4 3164 B13R1.149 C=C(C)CSCc1cccc(n1)Cl 62a_100000086093_100000211660 [0,1,0,0,0,1|2,0,0]=4 3165 B13R1.149 C=C(C)CSCc1cccc(n1)Cl 62a_100000748629_100000086093 [0,1,0,0,0,1|2,0,0]=4 3166 B13R1.149 C=C(C)CSCc1cccc(n1)F 62a_100000748629_100009819644 [0,1,0,0,0,1|2,0,0]=4 3167 B13R1.149 C=C(C)CSCc1cccc(n1)F 62a_100009819644_100000211660 [0,1,0,0,0,1|2,0,0]=4 3168 B13R1.149 C=C(C)CSCc1ccnc(c1)Br 62a_100000748629_100010243470 [0,1,0,0,0,1|2,0,0]=4 3169 B13R1.149 C=C(C)CSCc1ccnc(c1)Br 62a_100010254460_100000211660 [0,1,0,0,0,1|2,0,0]=4 3170 B13R1.149 C=C(C)CSCc1ccnc(c1)C 62a_100000748629_200020672517 [0,1,0,0,0,1|2,0,0]=4 3171 B13R1.149 C=C(C)CSCc1ccnc(c1)C 62a_200020672517_100000211660 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.149 C=C(C)CSCc1ccnc(c1)Cl 62a_100000748629_100000764220 [0,1,0,0,0,1|2,0,0]=4 3173 B13R1.149 C=C(C)CSCc1ccnc(c1)Cl 62a_100000764220_100000211660 [0,1,0,0,0,1|2,0,0]=4 3174 B13R1.149 C=C(C)CSCc1ccnc(n1)Cl 62a_100000099655_100000211660 [0,1,0,0,0,1|2,0,0]=4 3175 B13R1.149 C=C(C)CSCc1ccnc(n1)Cl 62a_100000748629_100000099655 [0,1,0,0,0,1|2,0,0]=4 3176 B13R1.149 C=C(C)CSCc1cncc(c1)Br 62a_100000738771_100000211660 [0,1,0,0,0,1|2,0,0]=4 3177 B13R1.149 C=C(C)CSCc1cncc(c1)Br 62a_100000748629_100000738771 [0,1,0,0,0,1|2,0,0]=4 3178 B13R1.149 C=C(C)CSCc1cncc(c1)C 62a_100000716715_100000211660 [0,1,0,0,0,1|2,0,0]=4 3179 B13R1.149 C=C(C)CSCc1cncc(c1)C 62a_100000748629_100000716715 [0,1,0,0,0,1|2,0,0]=4 3180 B13R1.149 C=C(C)CSCc1cncc(c1)Cl 62a_100000748629_100016992070 [0,1,0,0,0,1|2,0,0]=4 3181 B13R1.149 C=C(C)CSCc1cncc(c1)Cl 62a_100016992070_100000211660 [0,1,0,0,0,1|2,0,0]=4 3182 B13R1.149 C=C(C)CSCc1cncc(c1)F 62a_100000725299_100000211660 [0,1,0,0,0,1|2,0,0]=4 3183 B13R1.149 C=C(C)CSCc1cncc(c1)F 62a_100000748629_100000725299 [0,1,0,0,0,1|2,0,0]=4 3184 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,1,0,0,0,1|2,0,0]=4 3185 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,1,0,0,0,1|2,0,0]=4 3186 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,1,0,0,0,1|2,0,0]=4 3187 B13R1.149 CC(=O)COCc1cc(ccn1)Br 34a_100000211253_100010173614 [0,1,0,0,0,1|1,1,0]=4 3188 B13R1.149 CC(=O)COCc1cc(ccn1)C 34a_100000211253_100000718516 [0,1,0,0,0,1|1,1,0]=4 3189 B13R1.149 CC(=O)COCc1cc(ccn1)Cl 34a_100000211253_100016988179 [0,1,0,0,0,1|1,1,0]=4 3190 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,1,0,0,0,1|1,1,0]=4 3191 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,1,0,0,0,1|1,1,0]=4 3192 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,1,0,0,0,1|1,1,0]=4 3193 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,1,0,0,0,1|1,1,0]=4 3194 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,1,0,0,0,1|1,1,0]=4 3195 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,1,0,0,0,1|1,1,0]=4 3196 B13R1.149 CC(=O)COCc1cccc(n1)Br 34a_100000211253_100009889011 [0,1,0,0,0,1|1,1,0]=4 3197 B13R1.149 CC(=O)COCc1cccc(n1)C 34a_100000211253_100000757606 [0,1,0,0,0,1|1,1,0]=4 3198 B13R1.149 CC(=O)COCc1cccc(n1)Cl 34a_100000211253_100000086093 [0,1,0,0,0,1|1,1,0]=4 3199 B13R1.149 CC(=O)COCc1cccc(n1)F 34a_100000211253_100009819644 [0,1,0,0,0,1|1,1,0]=4 3200 B13R1.149 CC(=O)COCc1ccnc(c1)Br 34a_100000211253_100010243470 [0,1,0,0,0,1|1,1,0]=4 3201 B13R1.149 CC(=O)COCc1ccnc(c1)C 34a_100000211253_200020672517 [0,1,0,0,0,1|1,1,0]=4 3202 B13R1.149 CC(=O)COCc1ccnc(c1)Cl 34a_100000211253_100000764220 [0,1,0,0,0,1|1,1,0]=4 3203 B13R1.149 CC(=O)COCc1ccnc(n1)Cl 34a_100000211253_100000099655 [0,1,0,0,0,1|1,1,0]=4 3204 B13R1.149 CC(=O)COCc1cncc(c1)Br 34a_100000211253_100000738771 [0,1,0,0,0,1|1,1,0]=4 3205 B13R1.149 CC(=O)COCc1cncc(c1)C 34a_100000211253_100000716715 [0,1,0,0,0,1|1,1,0]=4 3206 B13R1.149 CC(=O)COCc1cncc(c1)Cl 34a_100000211253_100016992070 [0,1,0,0,0,1|1,1,0]=4 3207 B13R1.149 CC(=O)COCc1cncc(c1)F 34a_100000211253_100000725299 [0,1,0,0,0,1|1,1,0]=4 3208 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [0,1,0,0,0,1|1,0,0]=3 3209 B13R1.149 Cc1cc(ccn1)CSCC(=O)N 62a_100000747473_200020672517 [0,1,0,0,0,1|2,0,0]=4 3210 B13R1.149 Cc1cc(ccn1)CSCC(=O)N 62a_200020672517_100000747473 [0,1,0,0,0,1|2,0,0]=4 3211 B13R1.149 Cc1cc(ccn1)CSCC(=O)[O-] 62a_100020667443_200020672517 [0,1,0,0,0,1|2,0,0]=4 3212 B13R1.149 Cc1cc(ccn1)CSCC(=O)[O-] 62a_200020672517_100020667443 [0,1,0,0,0,1|2,0,0]=4 3213 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [0,1,0,0,0,1|2,0,0]=4 3214 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [0,1,0,0,0,1|2,0,0]=4 3215 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100000211840_100020667443 [0,1,0,0,0,1|2,0,0]=4 3216 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211840 [0,1,0,0,0,1|2,0,0]=4 3217 B13R1.149 Cc1cccc(n1)CSCC(=O)N 62a_100000747473_100000757606 [0,1,0,0,0,1|2,0,0]=4 3218 B13R1.149 Cc1cccc(n1)CSCC(=O)N 62a_100000757606_100000747473 [0,1,0,0,0,1|2,0,0]=4 3219 B13R1.149 Cc1cccc(n1)CSCC(=O)[O-] 62a_100000757606_100020667443 [0,1,0,0,0,1|2,0,0]=4 3220 B13R1.149 Cc1cccc(n1)CSCC(=O)[O-] 62a_100020667443_100000757606 [0,1,0,0,0,1|2,0,0]=4 3221 B13R1.149 Cc1ccnc(c1)CSCC(=O)N 62a_100000718516_100000747473 [0,1,0,0,0,1|2,0,0]=4 3222 B13R1.149 Cc1ccnc(c1)CSCC(=O)N 62a_100000747473_100000718516 [0,1,0,0,0,1|2,0,0]=4 3223 B13R1.149 Cc1ccnc(c1)CSCC(=O)[O-] 62a_100000718516_100020667443 [0,1,0,0,0,1|2,0,0]=4 3224 B13R1.149 Cc1ccnc(c1)CSCC(=O)[O-] 62a_100020667443_100000718516 [0,1,0,0,0,1|2,0,0]=4 3225 B13R1.149 Cc1cncc(c1)CSCC(=O)N 62a_100000716715_100000747473 [0,1,0,0,0,1|2,0,0]=4 3226 B13R1.149 Cc1cncc(c1)CSCC(=O)N 62a_100000747473_100000716715 [0,1,0,0,0,1|2,0,0]=4 3227 B13R1.149 Cc1cncc(c1)CSCC(=O)[O-] 62a_100000716715_100020667443 [0,1,0,0,0,1|2,0,0]=4 3228 B13R1.149 Cc1cncc(c1)CSCC(=O)[O-] 62a_100020667443_100000716715 [0,1,0,0,0,1|2,0,0]=4 3229 B13R1.149 NC(=O)CSCc1cc(ccn1)Br 62a_100000747473_100010173614 [0,1,0,0,0,1|2,0,0]=4 3230 B13R1.149 NC(=O)CSCc1cc(ccn1)Br 62a_100010173614_100000747473 [0,1,0,0,0,1|2,0,0]=4 3231 B13R1.149 NC(=O)CSCc1cc(ccn1)Cl 62a_100000747473_100016988179 [0,1,0,0,0,1|2,0,0]=4 3232 B13R1.149 NC(=O)CSCc1cc(ccn1)Cl 62a_100016988179_100000747473 [0,1,0,0,0,1|2,0,0]=4 3233 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [0,1,0,0,0,1|2,0,0]=4 3234 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [0,1,0,0,0,1|2,0,0]=4 3235 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [0,1,0,0,0,1|2,0,0]=4 3236 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [0,1,0,0,0,1|2,0,0]=4 3237 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [0,1,0,0,0,1|2,0,0]=4 3238 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [0,1,0,0,0,1|2,0,0]=4 3239 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [0,1,0,0,0,1|2,0,0]=4 3240 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [0,1,0,0,0,1|2,0,0]=4 3241 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [0,1,0,0,0,1|2,0,0]=4 3242 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [0,1,0,0,0,1|2,0,0]=4 3243 B13R1.149 NC(=O)CSCc1cccc(n1)Br 62a_100000747473_100009889011 [0,1,0,0,0,1|2,0,0]=4 3244 B13R1.149 NC(=O)CSCc1cccc(n1)Br 62a_100009889011_100000747473 [0,1,0,0,0,1|2,0,0]=4 3245 B13R1.149 NC(=O)CSCc1cccc(n1)Cl 62a_100000086093_100000747473 [0,1,0,0,0,1|2,0,0]=4 3246 B13R1.149 NC(=O)CSCc1cccc(n1)Cl 62a_100000747473_100000086093 [0,1,0,0,0,1|2,0,0]=4 3247 B13R1.149 NC(=O)CSCc1cccc(n1)F 62a_100000747473_100009819644 [0,1,0,0,0,1|2,0,0]=4 3248 B13R1.149 NC(=O)CSCc1cccc(n1)F 62a_100009819644_100000747473 [0,1,0,0,0,1|2,0,0]=4 3249 B13R1.149 NC(=O)CSCc1ccnc(c1)Br 62a_100000747473_100010243470 [0,1,0,0,0,1|2,0,0]=4 3250 B13R1.149 NC(=O)CSCc1ccnc(c1)Br 62a_100010254460_100000747473 [0,1,0,0,0,1|2,0,0]=4 3251 B13R1.149 NC(=O)CSCc1ccnc(c1)Cl 62a_100000747473_100000764220 [0,1,0,0,0,1|2,0,0]=4 3252 B13R1.149 NC(=O)CSCc1ccnc(c1)Cl 62a_100000764220_100000747473 [0,1,0,0,0,1|2,0,0]=4 3253 B13R1.149 NC(=O)CSCc1ccnc(n1)Cl 62a_100000099655_100000747473 [0,1,0,0,0,1|2,0,0]=4 3254 B13R1.149 NC(=O)CSCc1ccnc(n1)Cl 62a_100000747473_100000099655 [0,1,0,0,0,1|2,0,0]=4 3255 B13R1.149 NC(=O)CSCc1cncc(c1)Br 62a_100000738771_100000747473 [0,1,0,0,0,1|2,0,0]=4 3256 B13R1.149 NC(=O)CSCc1cncc(c1)Br 62a_100000747473_100000738771 [0,1,0,0,0,1|2,0,0]=4 3257 B13R1.149 NC(=O)CSCc1cncc(c1)Cl 62a_100000747473_100016992070 [0,1,0,0,0,1|2,0,0]=4 3258 B13R1.149 NC(=O)CSCc1cncc(c1)Cl 62a_100016992070_100000747473 [0,1,0,0,0,1|2,0,0]=4 3259 B13R1.149 NC(=O)CSCc1cncc(c1)F 62a_100000725299_100000747473 [0,1,0,0,0,1|2,0,0]=4 3260 B13R1.149 NC(=O)CSCc1cncc(c1)F 62a_100000747473_100000725299 [0,1,0,0,0,1|2,0,0]=4 3261 B13R1.149 O=C([O-])CSCc1cc(ccn1)Br 62a_100010173614_100020667443 [0,1,0,0,0,1|2,0,0]=4 3262 B13R1.149 O=C([O-])CSCc1cc(ccn1)Br 62a_100020667443_100010173614 [0,1,0,0,0,1|2,0,0]=4 3263 B13R1.149 O=C([O-])CSCc1cc(ccn1)Cl 62a_100016988179_100020667443 [0,1,0,0,0,1|2,0,0]=4 3264 B13R1.149 O=C([O-])CSCc1cc(ccn1)Cl 62a_100020667443_100016988179 [0,1,0,0,0,1|2,0,0]=4 3265 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100000211773_100020667443 [0,1,0,0,0,1|2,0,0]=4 3266 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100020667443_100000211773 [0,1,0,0,0,1|2,0,0]=4 3267 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100000187163_100020667443 [0,1,0,0,0,1|2,0,0]=4 3268 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100020667443_100000187163 [0,1,0,0,0,1|2,0,0]=4 3269 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100000230114_100020667443 [0,1,0,0,0,1|2,0,0]=4 3270 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100020667443_100000230114 [0,1,0,0,0,1|2,0,0]=4 3271 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100011218688_100020667443 [0,1,0,0,0,1|2,0,0]=4 3272 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100020667443_100011218688 [0,1,0,0,0,1|2,0,0]=4 3273 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100011660834_100020667443 [0,1,0,0,0,1|2,0,0]=4 3274 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100020667443_100011660834 [0,1,0,0,0,1|2,0,0]=4 3275 B13R1.149 O=C([O-])CSCc1cccc(n1)Br 62a_100009889011_100020667443 [0,1,0,0,0,1|2,0,0]=4 3276 B13R1.149 O=C([O-])CSCc1cccc(n1)Br 62a_100020667443_100009889011 [0,1,0,0,0,1|2,0,0]=4 3277 B13R1.149 O=C([O-])CSCc1cccc(n1)Cl 62a_100000086093_100020667443 [0,1,0,0,0,1|2,0,0]=4 3278 B13R1.149 O=C([O-])CSCc1cccc(n1)Cl 62a_100020667443_100000086093 [0,1,0,0,0,1|2,0,0]=4 3279 B13R1.149 O=C([O-])CSCc1cccc(n1)F 62a_100009819644_100020667443 [0,1,0,0,0,1|2,0,0]=4 3280 B13R1.149 O=C([O-])CSCc1cccc(n1)F 62a_100020667443_100009819644 [0,1,0,0,0,1|2,0,0]=4 3281 B13R1.149 O=C([O-])CSCc1ccnc(c1)Br 62a_100010254460_100020667443 [0,1,0,0,0,1|2,0,0]=4 3282 B13R1.149 O=C([O-])CSCc1ccnc(c1)Br 62a_100020667443_100010243470 [0,1,0,0,0,1|2,0,0]=4 3283 B13R1.149 O=C([O-])CSCc1ccnc(c1)Cl 62a_100000764220_100020667443 [0,1,0,0,0,1|2,0,0]=4 3284 B13R1.149 O=C([O-])CSCc1ccnc(c1)Cl 62a_100020667443_100000764220 [0,1,0,0,0,1|2,0,0]=4 3285 B13R1.149 O=C([O-])CSCc1ccnc(n1)Cl 62a_100000099655_100020667443 [0,1,0,0,0,1|2,0,0]=4 3286 B13R1.149 O=C([O-])CSCc1ccnc(n1)Cl 62a_100020667443_100000099655 [0,1,0,0,0,1|2,0,0]=4 3287 B13R1.149 O=C([O-])CSCc1cncc(c1)Br 62a_100000738771_100020667443 [0,1,0,0,0,1|2,0,0]=4 3288 B13R1.149 O=C([O-])CSCc1cncc(c1)Br 62a_100020667443_100000738771 [0,1,0,0,0,1|2,0,0]=4 3289 B13R1.149 O=C([O-])CSCc1cncc(c1)Cl 62a_100016992070_100020667443 [0,1,0,0,0,1|2,0,0]=4 3290 B13R1.149 O=C([O-])CSCc1cncc(c1)Cl 62a_100020667443_100016992070 [0,1,0,0,0,1|2,0,0]=4 3291 B13R1.149 O=C([O-])CSCc1cncc(c1)F 62a_100000725299_100020667443 [0,1,0,0,0,1|2,0,0]=4 3292 B13R1.149 O=C([O-])CSCc1cncc(c1)F 62a_100020667443_100000725299 [0,1,0,0,0,1|2,0,0]=4 3293 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,1,0,0,0,1|2,0,0]=4 3294 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [0,1,0,0,0,1|1,0,0]=3 3295 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000184730_100000211660 [0,1,0,0,0,1|2,0,0]=4 3296 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000748629_100000184730 [0,1,0,0,0,1|2,0,0]=4 3297 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000211839_100000211660 [0,1,0,0,0,1|2,0,0]=4 3298 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000748629_100000211839 [0,1,0,0,0,1|2,0,0]=4 3299 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000187162_100000211660 [0,1,0,0,0,1|2,0,0]=4 3300 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000748629_100000187162 [0,1,0,0,0,1|2,0,0]=4 3301 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000211605_100000211660 [0,1,0,0,0,1|2,0,0]=4 3302 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000748629_100000211605 [0,1,0,0,0,1|2,0,0]=4 3303 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100000748629_100011216222 [0,1,0,0,0,1|2,0,0]=4 3304 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100011216222_100000211660 [0,1,0,0,0,1|2,0,0]=4 3305 B13R1.158 C=C(C)CSCc1cccnc1Br 62a_100000748629_100010140945 [0,1,0,0,0,1|2,0,0]=4 3306 B13R1.158 C=C(C)CSCc1cccnc1Br 62a_100010140945_100000211660 [0,1,0,0,0,1|2,0,0]=4 3307 B13R1.158 C=C(C)CSCc1cccnc1C 62a_100000732876_100000211660 [0,1,0,0,0,1|2,0,0]=4 3308 B13R1.158 C=C(C)CSCc1cccnc1C 62a_100000748629_100000732876 [0,1,0,0,0,1|2,0,0]=4 3309 B13R1.158 C=C(C)CSCc1cccnc1Cl 62a_100000045678_100000211660 [0,1,0,0,0,1|2,0,0]=4 3310 B13R1.158 C=C(C)CSCc1cccnc1Cl 62a_100000748629_100000045678 [0,1,0,0,0,1|2,0,0]=4 3311 B13R1.158 C=C(C)CSCc1cccnc1F 62a_100000099810_100000211660 [0,1,0,0,0,1|2,0,0]=4 3312 B13R1.158 C=C(C)CSCc1cccnc1F 62a_100000748629_100000099810 [0,1,0,0,0,1|2,0,0]=4 3313 B13R1.158 C=C(C)CSCc1ccncc1C 62a_100000748629_100020672808 [0,1,0,0,0,1|2,0,0]=4 3314 B13R1.158 C=C(C)CSCc1ccncc1C 62a_100020672808_100000211660 [0,1,0,0,0,1|2,0,0]=4 3315 B13R1.158 C=C(C)CSCc1ccncc1Cl 62a_100000748629_100000763264 [0,1,0,0,0,1|2,0,0]=4 3316 B13R1.158 C=C(C)CSCc1ccncc1Cl 62a_100000763264_100000211660 [0,1,0,0,0,1|2,0,0]=4 3317 B13R1.158 C=C(C)CSCc1cnccc1C 62a_100000690890_100000211660 [0,1,0,0,0,1|2,0,0]=4 3318 B13R1.158 C=C(C)CSCc1cnccc1C 62a_100000748629_100000690890 [0,1,0,0,0,1|2,0,0]=4 3319 B13R1.158 C=C(C)CSCc1ncccc1Br 62a_100000748629_100025702911 [0,1,0,0,0,1|2,0,0]=4 3320 B13R1.158 C=C(C)CSCc1ncccc1Br 62a_100025702911_100000211660 [0,1,0,0,0,1|2,0,0]=4 3321 B13R1.158 C=C(C)CSCc1ncccc1C 62a_100000696600_100000211660 [0,1,0,0,0,1|2,0,0]=4 3322 B13R1.158 C=C(C)CSCc1ncccc1C 62a_100000748629_100000696600 [0,1,0,0,0,1|2,0,0]=4 3323 B13R1.158 C=C(C)CSCc1ncccc1Cl 62a_100000099807_100000211660 [0,1,0,0,0,1|2,0,0]=4 3324 B13R1.158 C=C(C)CSCc1ncccc1Cl 62a_100000748629_100000099807 [0,1,0,0,0,1|2,0,0]=4 3325 B13R1.158 C=C(C)CSCc1ncccc1F 62a_100000104219_100000211660 [0,1,0,0,0,1|2,0,0]=4 3326 B13R1.158 C=C(C)CSCc1ncccc1F 62a_100000748629_100000104219 [0,1,0,0,0,1|2,0,0]=4 3327 B13R1.158 C=C(C)CSCc1ncccc1O 62a_100000748629_200020655725 [0,1,0,0,0,1|2,0,0]=4 3328 B13R1.158 C=C(C)CSCc1ncccc1O 62a_200020655725_100000211660 [0,1,0,0,0,1|2,0,0]=4 3329 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,0,0,0,1|2,0,0]=4 3330 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,0,0,0,1|2,0,0]=4 3331 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,0,0,0,1|2,0,0]=4 3332 B13R1.158 CC(=O)CCOc1cccoc1=O 7a_100000077404_100000053229 [0,1,0,0,0,1|2,0,0]=4 3333 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,1,0,0,0,1|1,1,0]=4 3334 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,0,0,0,1|1,1,0]=4 3335 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,1,0,0,0,1|1,1,0]=4 3336 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,1,0,0,0,1|1,1,0]=4 3337 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,1,0,0,0,1|1,1,0]=4 3338 B13R1.158 CC(=O)COCc1cccnc1Br 34a_100000211253_100010140945 [0,1,0,0,0,1|1,1,0]=4 3339 B13R1.158 CC(=O)COCc1cccnc1C 34a_100000211253_100000732876 [0,1,0,0,0,1|1,1,0]=4 3340 B13R1.158 CC(=O)COCc1cccnc1Cl 34a_100000211253_100000045678 [0,1,0,0,0,1|1,1,0]=4 3341 B13R1.158 CC(=O)COCc1cccnc1F 34a_100000211253_100000099810 [0,1,0,0,0,1|1,1,0]=4 3342 B13R1.158 CC(=O)COCc1ccncc1C 34a_100000211253_100020672809 [0,1,0,0,0,1|1,1,0]=4 3343 B13R1.158 CC(=O)COCc1cnccc1C 34a_100000211253_100000690890 [0,1,0,0,0,1|1,1,0]=4 3344 B13R1.158 CC(=O)COCc1ncccc1Br 34a_100000211253_100025702911 [0,1,0,0,0,1|1,1,0]=4 3345 B13R1.158 CC(=O)COCc1ncccc1C 34a_100000211253_100000696600 [0,1,0,0,0,1|1,1,0]=4 3346 B13R1.158 CC(=O)COCc1ncccc1F 34a_100000211253_100000104219 [0,1,0,0,0,1|1,1,0]=4 3347 B13R1.158 CC(=O)COCc1ncccc1O 34a_100000211253_200020655725 [0,1,0,0,0,1|1,1,0]=4 3348 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,1,0,0,0,1|1,0,0]=3 3349 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,1,0,0,0,1|1,0,0]=3 3350 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,1,0,0,0,1|1,0,0]=3 3351 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [0,1,0,0,0,1|2,0,0]=4 3352 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [0,1,0,0,0,1|2,0,0]=4 3353 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,1,0,0,0,1|1,0,0]=3 3354 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100000211839_100020667443 [0,1,0,0,0,1|2,0,0]=4 3355 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000211839 [0,1,0,0,0,1|2,0,0]=4 3356 B13R1.158 Cc1cccnc1CSCC(=O)N 62a_100000696600_100000747473 [0,1,0,0,0,1|2,0,0]=4 3357 B13R1.158 Cc1cccnc1CSCC(=O)N 62a_100000747473_100000696600 [0,1,0,0,0,1|2,0,0]=4 3358 B13R1.158 Cc1cccnc1CSCC(=O)[O-] 62a_100000696600_100020667443 [0,1,0,0,0,1|2,0,0]=4 3359 B13R1.158 Cc1cccnc1CSCC(=O)[O-] 62a_100020667443_100000696600 [0,1,0,0,0,1|2,0,0]=4 3360 B13R1.158 Cc1ccncc1CSCC(=O)N 62a_100000690890_100000747473 [0,1,0,0,0,1|2,0,0]=4 3361 B13R1.158 Cc1ccncc1CSCC(=O)N 62a_100000747473_100000690890 [0,1,0,0,0,1|2,0,0]=4 3362 B13R1.158 Cc1ccncc1CSCC(=O)[O-] 62a_100000690890_100020667443 [0,1,0,0,0,1|2,0,0]=4 3363 B13R1.158 Cc1ccncc1CSCC(=O)[O-] 62a_100020667443_100000690890 [0,1,0,0,0,1|2,0,0]=4 3364 B13R1.158 Cc1cnccc1CSCC(=O)N 62a_100000747473_100020672808 [0,1,0,0,0,1|2,0,0]=4 3365 B13R1.158 Cc1cnccc1CSCC(=O)N 62a_100020672808_100000747473 [0,1,0,0,0,1|2,0,0]=4 3366 B13R1.158 Cc1cnccc1CSCC(=O)[O-] 62a_100020667443_100020672808 [0,1,0,0,0,1|2,0,0]=4 3367 B13R1.158 Cc1cnccc1CSCC(=O)[O-] 62a_100020672808_100020667443 [0,1,0,0,0,1|2,0,0]=4 3368 B13R1.158 Cc1ncccc1CSCC(=O)N 62a_100000732876_100000747473 [0,1,0,0,0,1|2,0,0]=4 3369 B13R1.158 Cc1ncccc1CSCC(=O)N 62a_100000747473_100000732876 [0,1,0,0,0,1|2,0,0]=4 3370 B13R1.158 Cc1ncccc1CSCC(=O)[O-] 62a_100000732876_100020667443 [0,1,0,0,0,1|2,0,0]=4 3371 B13R1.158 Cc1ncccc1CSCC(=O)[O-] 62a_100020667443_100000732876 [0,1,0,0,0,1|2,0,0]=4 3372 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000184730_100000747473 [0,1,0,0,0,1|2,0,0]=4 3373 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000747473_100000184730 [0,1,0,0,0,1|2,0,0]=4 3374 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [0,1,0,0,0,1|2,0,0]=4 3375 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [0,1,0,0,0,1|2,0,0]=4 3376 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000211605_100000747473 [0,1,0,0,0,1|2,0,0]=4 3377 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000747473_100000211605 [0,1,0,0,0,1|2,0,0]=4 3378 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100000747473_100011216222 [0,1,0,0,0,1|2,0,0]=4 3379 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100011216222_100000747473 [0,1,0,0,0,1|2,0,0]=4 3380 B13R1.158 NC(=O)CSCc1cccnc1Br 62a_100000747473_100010140945 [0,1,0,0,0,1|2,0,0]=4 3381 B13R1.158 NC(=O)CSCc1cccnc1Br 62a_100010140945_100000747473 [0,1,0,0,0,1|2,0,0]=4 3382 B13R1.158 NC(=O)CSCc1cccnc1Cl 62a_100000045678_100000747473 [0,1,0,0,0,1|2,0,0]=4 3383 B13R1.158 NC(=O)CSCc1cccnc1Cl 62a_100000747473_100000045678 [0,1,0,0,0,1|2,0,0]=4 3384 B13R1.158 NC(=O)CSCc1cccnc1F 62a_100000099810_100000747473 [0,1,0,0,0,1|2,0,0]=4 3385 B13R1.158 NC(=O)CSCc1cccnc1F 62a_100000747473_100000099810 [0,1,0,0,0,1|2,0,0]=4 3386 B13R1.158 NC(=O)CSCc1ccncc1Cl 62a_100000747473_100000763264 [0,1,0,0,0,1|2,0,0]=4 3387 B13R1.158 NC(=O)CSCc1ccncc1Cl 62a_100000763264_100000747473 [0,1,0,0,0,1|2,0,0]=4 3388 B13R1.158 NC(=O)CSCc1ncccc1Br 62a_100000747473_100025702911 [0,1,0,0,0,1|2,0,0]=4 3389 B13R1.158 NC(=O)CSCc1ncccc1Br 62a_100025702911_100000747473 [0,1,0,0,0,1|2,0,0]=4 3390 B13R1.158 NC(=O)CSCc1ncccc1Cl 62a_100000099807_100000747473 [0,1,0,0,0,1|2,0,0]=4 3391 B13R1.158 NC(=O)CSCc1ncccc1Cl 62a_100000747473_100000099807 [0,1,0,0,0,1|2,0,0]=4 3392 B13R1.158 NC(=O)CSCc1ncccc1F 62a_100000104219_100000747473 [0,1,0,0,0,1|2,0,0]=4 3393 B13R1.158 NC(=O)CSCc1ncccc1F 62a_100000747473_100000104219 [0,1,0,0,0,1|2,0,0]=4 3394 B13R1.158 NC(=O)CSCc1ncccc1O 62a_100000747473_200020655725 [0,1,0,0,0,1|2,0,0]=4 3395 B13R1.158 NC(=O)CSCc1ncccc1O 62a_200020655725_100000747473 [0,1,0,0,0,1|2,0,0]=4 3396 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100000184730_100020667443 [0,1,0,0,0,1|2,0,0]=4 3397 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100020667443_100000184730 [0,1,0,0,0,1|2,0,0]=4 3398 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100000187162_100020667443 [0,1,0,0,0,1|2,0,0]=4 3399 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100020667443_100000187162 [0,1,0,0,0,1|2,0,0]=4 3400 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100000211605_100020667443 [0,1,0,0,0,1|2,0,0]=4 3401 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100020667443_100000211605 [0,1,0,0,0,1|2,0,0]=4 3402 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100011216222_100020667443 [0,1,0,0,0,1|2,0,0]=4 3403 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100020667443_100011216222 [0,1,0,0,0,1|2,0,0]=4 3404 B13R1.158 O=C([O-])CSCc1cccnc1Br 62a_100010140945_100020667443 [0,1,0,0,0,1|2,0,0]=4 3405 B13R1.158 O=C([O-])CSCc1cccnc1Br 62a_100020667443_100010140945 [0,1,0,0,0,1|2,0,0]=4 3406 B13R1.158 O=C([O-])CSCc1cccnc1Cl 62a_100000045678_100020667443 [0,1,0,0,0,1|2,0,0]=4 3407 B13R1.158 O=C([O-])CSCc1cccnc1Cl 62a_100020667443_100000045678 [0,1,0,0,0,1|2,0,0]=4 3408 B13R1.158 O=C([O-])CSCc1cccnc1F 62a_100000099810_100020667443 [0,1,0,0,0,1|2,0,0]=4 3409 B13R1.158 O=C([O-])CSCc1cccnc1F 62a_100020667443_100000099810 [0,1,0,0,0,1|2,0,0]=4 3410 B13R1.158 O=C([O-])CSCc1ccncc1Cl 62a_100000763264_100020667443 [0,1,0,0,0,1|2,0,0]=4 3411 B13R1.158 O=C([O-])CSCc1ccncc1Cl 62a_100020667443_100000763264 [0,1,0,0,0,1|2,0,0]=4 3412 B13R1.158 O=C([O-])CSCc1ncccc1Br 62a_100020667443_100025702911 [0,1,0,0,0,1|2,0,0]=4 3413 B13R1.158 O=C([O-])CSCc1ncccc1Br 62a_100025702911_100020667443 [0,1,0,0,0,1|2,0,0]=4 3414 B13R1.158 O=C([O-])CSCc1ncccc1Cl 62a_100000099807_100020667443 [0,1,0,0,0,1|2,0,0]=4 3415 B13R1.158 O=C([O-])CSCc1ncccc1Cl 62a_100020667443_100000099807 [0,1,0,0,0,1|2,0,0]=4 3416 B13R1.158 O=C([O-])CSCc1ncccc1F 62a_100000104219_100020667443 [0,1,0,0,0,1|2,0,0]=4 3417 B13R1.158 O=C([O-])CSCc1ncccc1F 62a_100020667443_100000104219 [0,1,0,0,0,1|2,0,0]=4 3418 B13R1.158 O=C([O-])CSCc1ncccc1O 62a_100020667443_200020655725 [0,1,0,0,0,1|2,0,0]=4 3419 B13R1.158 O=C([O-])CSCc1ncccc1O 62a_200020655725_100020667443 [0,1,0,0,0,1|2,0,0]=4 3420 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,0,0,0,1|2,0,0]=4 3421 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,0,0,0,1|2,0,0]=4 3422 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,1,0,0,0,1|1,0,0]=3 3423 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,1,0,0,0,1|1,0,0]=3 3424 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,1|2,0,0]=4 3425 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,1|2,0,0]=4 3426 B13R1.348 CC(=O)CN(C)Cc1ccccn1 1458a_100015184508_200000210301 [0,1,0,0,0,1|2,0,0]=4 3427 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,1|2,0,0]=4 3428 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccn1 1458a_100015184508_200025704644 [0,1,0,0,0,1|2,0,0]=4 3429 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,1|2,0,0]=4 3430 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,1|2,0,0]=4 3431 B13R1.351 CC(=O)C(C)NCc1cccnn1 2230a_100159270163_100009814033 [0,1,0,0,0,1|2,0,0]=4 3432 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,1|1,1,0]=4 3433 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,1|1,1,0]=4 3434 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,1,0,0,0,1|1,1,0]=4 3435 B13R1.351 CC(=O)C(C)OCc1cccnc1 34a_100000212229_100000733263 [0,1,0,0,0,1|1,1,0]=4 3436 B13R1.351 CC(=O)C(C)OCc1cccnn1 34a_100000212229_100016990269 [0,1,0,0,0,1|1,1,0]=4 3437 B13R1.351 CC(=O)C(C)OCc1cnccn1 34a_100000212229_100016995436 [0,1,0,0,0,1|1,1,0]=4 3438 B13R1.351 CC(=O)C(C)OCc1ncccn1 34a_100000212229_100000703007 [0,1,0,0,0,1|1,1,0]=4 3439 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,1|1,0,0]=3 3440 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,1|1,0,0]=3 3441 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,1|1,0,0]=3 3442 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,1,0,0,0,1|1,0,0]=3 3443 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,1,0,0,0,1|1,0,0]=3 3444 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100000741622_100009814033 [0,1,0,0,0,1|1,0,0]=3 3445 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100009814033_100000741622 [0,1,0,0,0,1|1,0,0]=3 3446 B13R1.351 CC(=O)C(C)SCc1cccnn1 62a_100009814033_100016990269 [0,1,0,0,0,1|1,0,0]=3 3447 B13R1.351 CC(=O)C(C)SCc1cccnn1 62a_100016990269_100009814033 [0,1,0,0,0,1|1,0,0]=3 3448 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100009814033_100015193705 [0,1,0,0,0,1|1,0,0]=3 3449 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100015193705_100009814033 [0,1,0,0,0,1|1,0,0]=3 3450 B13R1.351 CC(=O)C(C)SCc1cnccn1 62a_100009814033_100016995436 [0,1,0,0,0,1|1,0,0]=3 3451 B13R1.351 CC(=O)C(C)SCc1cnccn1 62a_100016995436_100009814033 [0,1,0,0,0,1|1,0,0]=3 3452 B13R1.351 CC(=O)C(C)SCc1cncnc1 62a_100009814033_100015196519 [0,1,0,0,0,1|2,0,0]=4 3453 B13R1.351 CC(=O)C(C)SCc1cncnc1 62a_100015196519_100009814033 [0,1,0,0,0,1|2,0,0]=4 3454 B13R1.351 CC(=O)C(C)SCc1ncccn1 62a_100000703007_100009814033 [0,1,0,0,0,1|1,0,0]=3 3455 B13R1.351 CC(=O)C(C)SCc1ncccn1 62a_100009814033_100000703007 [0,1,0,0,0,1|1,0,0]=3 3456 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,1|2,0,0]=4 3457 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,1|1,1,0]=4 3458 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,1|2,0,0]=4 3459 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,1|2,0,0]=4 3460 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,1|2,0,0]=4 3461 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,1|1,0,0]=3 3462 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000702099_100000721315 [0,1,0,0,0,1|2,0,0]=4 3463 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000721315_100000702099 [0,1,0,0,0,1|2,0,0]=4 3464 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000702099_100000741622 [0,1,0,0,0,1|2,0,0]=4 3465 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000741622_100000702099 [0,1,0,0,0,1|2,0,0]=4 3466 B13R1.351 CC(SCc1cccnn1)C(=O)N 62a_100000702099_100016990269 [0,1,0,0,0,1|2,0,0]=4 3467 B13R1.351 CC(SCc1cccnn1)C(=O)N 62a_100016990269_100000702099 [0,1,0,0,0,1|2,0,0]=4 3468 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100000702099_100015193705 [0,1,0,0,0,1|2,0,0]=4 3469 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100015193705_100000702099 [0,1,0,0,0,1|2,0,0]=4 3470 B13R1.351 CC(SCc1cnccn1)C(=O)N 62a_100000702099_100016995436 [0,1,0,0,0,1|2,0,0]=4 3471 B13R1.351 CC(SCc1cnccn1)C(=O)N 62a_100016995436_100000702099 [0,1,0,0,0,1|2,0,0]=4 3472 B13R1.351 CC(SCc1ncccn1)C(=O)N 62a_100000702099_100000703007 [0,1,0,0,0,1|2,0,0]=4 3473 B13R1.351 CC(SCc1ncccn1)C(=O)N 62a_100000703007_100000702099 [0,1,0,0,0,1|2,0,0]=4 3474 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,1|1,1,0]=4 3475 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,1,0,0,0,1|2,0,0]=4 3476 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,1,0,0,0,1|2,0,0]=4 3477 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100000721315_100009813875 [0,1,0,0,0,1|2,0,0]=4 3478 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100009813875_100000721315 [0,1,0,0,0,1|2,0,0]=4 3479 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100000741622_100009813875 [0,1,0,0,0,1|2,0,0]=4 3480 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100009813875_100000741622 [0,1,0,0,0,1|2,0,0]=4 3481 B13R1.351 NC(=O)C(F)SCc1cccnn1 62a_100009813875_100016990269 [0,1,0,0,0,1|2,0,0]=4 3482 B13R1.351 NC(=O)C(F)SCc1cccnn1 62a_100016990269_100009813875 [0,1,0,0,0,1|2,0,0]=4 3483 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100009813875_100015193705 [0,1,0,0,0,1|2,0,0]=4 3484 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100015193705_100009813875 [0,1,0,0,0,1|2,0,0]=4 3485 B13R1.351 NC(=O)C(F)SCc1cnccn1 62a_100009813875_100016995436 [0,1,0,0,0,1|2,0,0]=4 3486 B13R1.351 NC(=O)C(F)SCc1cnccn1 62a_100016995436_100009813875 [0,1,0,0,0,1|2,0,0]=4 3487 B13R1.351 NC(=O)C(F)SCc1ncccn1 62a_100000703007_100009813875 [0,1,0,0,0,1|2,0,0]=4 3488 B13R1.351 NC(=O)C(F)SCc1ncccn1 62a_100009813875_100000703007 [0,1,0,0,0,1|2,0,0]=4 3489 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,1,0,0,0,1|2,0,0]=4 3490 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,1,0,0,0,1|2,0,0]=4 3491 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100000721315_100020610796 [0,1,0,0,0,1|2,0,0]=4 3492 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100020610796_100000721315 [0,1,0,0,0,1|2,0,0]=4 3493 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100000741622_100020610796 [0,1,0,0,0,1|2,0,0]=4 3494 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100020610796_100000741622 [0,1,0,0,0,1|2,0,0]=4 3495 B13R1.351 O=C([O-])C(F)SCc1cccnn1 62a_100016990269_100020610796 [0,1,0,0,0,1|2,0,0]=4 3496 B13R1.351 O=C([O-])C(F)SCc1cccnn1 62a_100020610796_100016990269 [0,1,0,0,0,1|2,0,0]=4 3497 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100015193705_100020610796 [0,1,0,0,0,1|2,0,0]=4 3498 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100020610796_100015193705 [0,1,0,0,0,1|2,0,0]=4 3499 B13R1.351 O=C([O-])C(F)SCc1cnccn1 62a_100016995436_100020610796 [0,1,0,0,0,1|2,0,0]=4 3500 B13R1.351 O=C([O-])C(F)SCc1cnccn1 62a_100020610796_100016995436 [0,1,0,0,0,1|2,0,0]=4 3501 B13R1.351 O=C([O-])C(F)SCc1ncccn1 62a_100000703007_100020610796 [0,1,0,0,0,1|2,0,0]=4 3502 B13R1.351 O=C([O-])C(F)SCc1ncccn1 62a_100020610796_100000703007 [0,1,0,0,0,1|2,0,0]=4 3503 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,1|2,0,0]=4 3504 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000189115_100000211660 [0,1,0,0,0,1|2,0,0]=4 3505 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000748629_100000189115 [0,1,0,0,0,1|2,0,0]=4 3506 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000210814_100000211660 [0,1,0,0,0,1|2,0,0]=4 3507 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000748629_100000210814 [0,1,0,0,0,1|2,0,0]=4 3508 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000211660 [0,1,0,0,0,1|2,0,0]=4 3509 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000748629_100000187161 [0,1,0,0,0,1|2,0,0]=4 3510 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000198546_100000211660 [0,1,0,0,0,1|2,0,0]=4 3511 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000748629_100000187164 [0,1,0,0,0,1|2,0,0]=4 3512 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000189116_100000211660 [0,1,0,0,0,1|2,0,0]=4 3513 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000748629_100000189116 [0,1,0,0,0,1|2,0,0]=4 3514 B13R1.513 C=C(C)CSCc1ccc(cn1)Br 62a_100000702658_100000211660 [0,1,0,0,0,1|2,0,0]=4 3515 B13R1.513 C=C(C)CSCc1ccc(cn1)Br 62a_100000748629_100000702658 [0,1,0,0,0,1|2,0,0]=4 3516 B13R1.513 C=C(C)CSCc1ccc(cn1)C 62a_100000691093_100000211660 [0,1,0,0,0,1|2,0,0]=4 3517 B13R1.513 C=C(C)CSCc1ccc(cn1)C 62a_100000748629_100000691093 [0,1,0,0,0,1|2,0,0]=4 3518 B13R1.513 C=C(C)CSCc1ccc(cn1)Cl 62a_100000748629_100000697101 [0,1,0,0,0,1|2,0,0]=4 3519 B13R1.513 C=C(C)CSCc1ccc(cn1)Cl 62a_100012066911_100000211660 [0,1,0,0,0,1|2,0,0]=4 3520 B13R1.513 C=C(C)CSCc1ccc(cn1)F 62a_100000703193_100000211660 [0,1,0,0,0,1|2,0,0]=4 3521 B13R1.513 C=C(C)CSCc1ccc(cn1)F 62a_100000748629_100000703193 [0,1,0,0,0,1|2,0,0]=4 3522 B13R1.513 C=C(C)CSCc1ccc(nc1)Br 62a_100000748629_100009831999 [0,1,0,0,0,1|2,0,0]=4 3523 B13R1.513 C=C(C)CSCc1ccc(nc1)Br 62a_100009831999_100000211660 [0,1,0,0,0,1|2,0,0]=4 3524 B13R1.513 C=C(C)CSCc1ccc(nc1)C 62a_100000748629_100016987292 [0,1,0,0,0,1|2,0,0]=4 3525 B13R1.513 C=C(C)CSCc1ccc(nc1)C 62a_100016987292_100000211660 [0,1,0,0,0,1|2,0,0]=4 3526 B13R1.513 C=C(C)CSCc1ccc(nc1)Cl 62a_100000735431_100000211660 [0,1,0,0,0,1|2,0,0]=4 3527 B13R1.513 C=C(C)CSCc1ccc(nc1)Cl 62a_100000748629_100000735431 [0,1,0,0,0,1|2,0,0]=4 3528 B13R1.513 C=C(C)CSCc1ccc(nc1)F 62a_100000748629_100000099788 [0,1,0,0,0,1|2,0,0]=4 3529 B13R1.513 C=C(C)CSCc1ccc(nc1)F 62a_100009820150_100000211660 [0,1,0,0,0,1|2,0,0]=4 3530 B13R1.513 C=C(C)CSCc1ccc(nn1)Cl 62a_100000748629_100016992710 [0,1,0,0,0,1|2,0,0]=4 3531 B13R1.513 C=C(C)CSCc1ccc(nn1)Cl 62a_100016992710_100000211660 [0,1,0,0,0,1|2,0,0]=4 3532 B13R1.513 C=C(C)CSCc1cnc(cn1)C 62a_100000748629_100000752025 [0,1,0,0,0,1|2,0,0]=4 3533 B13R1.513 C=C(C)CSCc1cnc(cn1)C 62a_100000752025_100000211660 [0,1,0,0,0,1|2,0,0]=4 3534 B13R1.513 C=C(C)CSCc1ncc(cn1)Br 62a_100000748629_100010064664 [0,1,0,0,0,1|2,0,0]=4 3535 B13R1.513 C=C(C)CSCc1ncc(cn1)Br 62a_100010064664_100000211660 [0,1,0,0,0,1|2,0,0]=4 3536 B13R1.513 C=C(C)CSCc1ncc(cn1)C 62a_100000685645_100000211660 [0,1,0,0,0,1|2,0,0]=4 3537 B13R1.513 C=C(C)CSCc1ncc(cn1)C 62a_100000748629_100000685645 [0,1,0,0,0,1|2,0,0]=4 3538 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,1,0,0,0,1|2,0,0]=4 3539 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,1,0,0,0,1|2,0,0]=4 3540 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,1,0,0,0,1|2,0,0]=4 3541 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,1,0,0,0,1|2,0,0]=4 3542 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,1,0,0,0,1|2,0,0]=4 3543 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,1,0,0,0,1|2,0,0]=4 3544 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,1,0,0,0,1|2,0,0]=4 3545 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,1,0,0,0,1|2,0,0]=4 3546 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,1,0,0,0,1|2,0,0]=4 3547 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,1,0,0,0,1|1,1,0]=4 3548 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,1,0,0,0,1|1,1,0]=4 3549 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,1,0,0,0,1|1,1,0]=4 3550 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,1,0,0,0,1|1,1,0]=4 3551 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,1,0,0,0,1|1,1,0]=4 3552 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,1,0,0,0,1|1,1,0]=4 3553 B13R1.513 CC(=O)COCc1ccc(cn1)Br 34a_100000211253_100000702658 [0,1,0,0,0,1|1,1,0]=4 3554 B13R1.513 CC(=O)COCc1ccc(cn1)C 34a_100000211253_100000691093 [0,1,0,0,0,1|1,1,0]=4 3555 B13R1.513 CC(=O)COCc1ccc(cn1)Cl 34a_100000211253_100012066911 [0,1,0,0,0,1|1,1,0]=4 3556 B13R1.513 CC(=O)COCc1ccc(cn1)F 34a_100000211253_100000703193 [0,1,0,0,0,1|1,1,0]=4 3557 B13R1.513 CC(=O)COCc1ccc(nc1)Br 34a_100000211253_100009831999 [0,1,0,0,0,1|1,1,0]=4 3558 B13R1.513 CC(=O)COCc1ccc(nc1)C 34a_100000211253_100016987292 [0,1,0,0,0,1|1,1,0]=4 3559 B13R1.513 CC(=O)COCc1ccc(nc1)Cl 34a_100000211253_100000735431 [0,1,0,0,0,1|1,1,0]=4 3560 B13R1.513 CC(=O)COCc1ccc(nc1)F 34a_100000211253_100000099788 [0,1,0,0,0,1|1,1,0]=4 3561 B13R1.513 CC(=O)COCc1ccc(nn1)Cl 34a_100000211253_100016992710 [0,1,0,0,0,1|1,1,0]=4 3562 B13R1.513 CC(=O)COCc1ncc(cn1)Br 34a_100000211253_100010064664 [0,1,0,0,0,1|1,1,0]=4 3563 B13R1.513 CC(=O)COCc1ncc(cn1)C 34a_100000211253_100000685645 [0,1,0,0,0,1|1,1,0]=4 3564 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [0,1,0,0,0,1|1,0,0]=3 3565 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [0,1,0,0,0,1|1,0,0]=3 3566 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [0,1,0,0,0,1|1,0,0]=3 3567 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,1,0,0,0,1|2,0,0]=4 3568 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [0,1,0,0,0,1|2,0,0]=4 3569 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [0,1,0,0,0,1|2,0,0]=4 3570 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000210814_100020667443 [0,1,0,0,0,1|2,0,0]=4 3571 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000210814 [0,1,0,0,0,1|2,0,0]=4 3572 B13R1.513 Cc1ccc(cn1)CSCC(=O)N 62a_100000747473_100016987292 [0,1,0,0,0,1|2,0,0]=4 3573 B13R1.513 Cc1ccc(cn1)CSCC(=O)N 62a_100016987292_100000747473 [0,1,0,0,0,1|2,0,0]=4 3574 B13R1.513 Cc1ccc(cn1)CSCC(=O)[O-] 62a_100016987292_100020667443 [0,1,0,0,0,1|2,0,0]=4 3575 B13R1.513 Cc1ccc(cn1)CSCC(=O)[O-] 62a_100020667443_100016987292 [0,1,0,0,0,1|2,0,0]=4 3576 B13R1.513 Cc1ccc(nc1)CSCC(=O)N 62a_100000691093_100000747473 [0,1,0,0,0,1|2,0,0]=4 3577 B13R1.513 Cc1ccc(nc1)CSCC(=O)N 62a_100000747473_100000691093 [0,1,0,0,0,1|2,0,0]=4 3578 B13R1.513 Cc1ccc(nc1)CSCC(=O)[O-] 62a_100000691093_100020667443 [0,1,0,0,0,1|2,0,0]=4 3579 B13R1.513 Cc1ccc(nc1)CSCC(=O)[O-] 62a_100020667443_100000691093 [0,1,0,0,0,1|2,0,0]=4 3580 B13R1.513 Cc1cnc(cn1)CSCC(=O)N 62a_100000747473_100000752025 [0,1,0,0,0,1|2,0,0]=4 3581 B13R1.513 Cc1cnc(cn1)CSCC(=O)N 62a_100000752025_100000747473 [0,1,0,0,0,1|2,0,0]=4 3582 B13R1.513 Cc1cnc(cn1)CSCC(=O)[O-] 62a_100000752025_100020667443 [0,1,0,0,0,1|2,0,0]=4 3583 B13R1.513 Cc1cnc(cn1)CSCC(=O)[O-] 62a_100020667443_100000752025 [0,1,0,0,0,1|2,0,0]=4 3584 B13R1.513 Cc1cnc(nc1)CSCC(=O)N 62a_100000685645_100000747473 [0,1,0,0,0,1|2,0,0]=4 3585 B13R1.513 Cc1cnc(nc1)CSCC(=O)N 62a_100000747473_100000685645 [0,1,0,0,0,1|2,0,0]=4 3586 B13R1.513 Cc1cnc(nc1)CSCC(=O)[O-] 62a_100000685645_100020667443 [0,1,0,0,0,1|2,0,0]=4 3587 B13R1.513 Cc1cnc(nc1)CSCC(=O)[O-] 62a_100020667443_100000685645 [0,1,0,0,0,1|2,0,0]=4 3588 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,1,0,0,0,1|2,0,0]=4 3589 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,1,0,0,0,1|2,0,0]=4 3590 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [0,1,0,0,0,1|2,0,0]=4 3591 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [0,1,0,0,0,1|2,0,0]=4 3592 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [0,1,0,0,0,1|2,0,0]=4 3593 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [0,1,0,0,0,1|2,0,0]=4 3594 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [0,1,0,0,0,1|2,0,0]=4 3595 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [0,1,0,0,0,1|2,0,0]=4 3596 B13R1.513 NC(=O)CSCc1ccc(cn1)Br 62a_100000702658_100000747473 [0,1,0,0,0,1|2,0,0]=4 3597 B13R1.513 NC(=O)CSCc1ccc(cn1)Br 62a_100000747473_100000702658 [0,1,0,0,0,1|2,0,0]=4 3598 B13R1.513 NC(=O)CSCc1ccc(cn1)Cl 62a_100000747473_100000697101 [0,1,0,0,0,1|2,0,0]=4 3599 B13R1.513 NC(=O)CSCc1ccc(cn1)Cl 62a_100012066911_100000747473 [0,1,0,0,0,1|2,0,0]=4 3600 B13R1.513 NC(=O)CSCc1ccc(cn1)F 62a_100000703193_100000747473 [0,1,0,0,0,1|2,0,0]=4 3601 B13R1.513 NC(=O)CSCc1ccc(cn1)F 62a_100000747473_100000703193 [0,1,0,0,0,1|2,0,0]=4 3602 B13R1.513 NC(=O)CSCc1ccc(nc1)Br 62a_100000747473_100009831999 [0,1,0,0,0,1|2,0,0]=4 3603 B13R1.513 NC(=O)CSCc1ccc(nc1)Br 62a_100009831999_100000747473 [0,1,0,0,0,1|2,0,0]=4 3604 B13R1.513 NC(=O)CSCc1ccc(nc1)Cl 62a_100000735431_100000747473 [0,1,0,0,0,1|2,0,0]=4 3605 B13R1.513 NC(=O)CSCc1ccc(nc1)Cl 62a_100000747473_100000735431 [0,1,0,0,0,1|2,0,0]=4 3606 B13R1.513 NC(=O)CSCc1ccc(nc1)F 62a_100000747473_100000099788 [0,1,0,0,0,1|2,0,0]=4 3607 B13R1.513 NC(=O)CSCc1ccc(nc1)F 62a_100009820150_100000747473 [0,1,0,0,0,1|2,0,0]=4 3608 B13R1.513 NC(=O)CSCc1ccc(nn1)Cl 62a_100000747473_100016992710 [0,1,0,0,0,1|2,0,0]=4 3609 B13R1.513 NC(=O)CSCc1ccc(nn1)Cl 62a_100016992710_100000747473 [0,1,0,0,0,1|2,0,0]=4 3610 B13R1.513 NC(=O)CSCc1ncc(cn1)Br 62a_100000747473_100010064664 [0,1,0,0,0,1|2,0,0]=4 3611 B13R1.513 NC(=O)CSCc1ncc(cn1)Br 62a_100010064664_100000747473 [0,1,0,0,0,1|2,0,0]=4 3612 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100000189115_100020667443 [0,1,0,0,0,1|2,0,0]=4 3613 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100020667443_100000189115 [0,1,0,0,0,1|2,0,0]=4 3614 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100020667443 [0,1,0,0,0,1|2,0,0]=4 3615 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100020667443_100000187161 [0,1,0,0,0,1|2,0,0]=4 3616 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100000198546_100020667443 [0,1,0,0,0,1|2,0,0]=4 3617 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100020667443_100000187164 [0,1,0,0,0,1|2,0,0]=4 3618 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100000189116_100020667443 [0,1,0,0,0,1|2,0,0]=4 3619 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100020667443_100000189116 [0,1,0,0,0,1|2,0,0]=4 3620 B13R1.513 O=C([O-])CSCc1ccc(cn1)Br 62a_100000702658_100020667443 [0,1,0,0,0,1|2,0,0]=4 3621 B13R1.513 O=C([O-])CSCc1ccc(cn1)Br 62a_100020667443_100000702658 [0,1,0,0,0,1|2,0,0]=4 3622 B13R1.513 O=C([O-])CSCc1ccc(cn1)Cl 62a_100012066911_100020667443 [0,1,0,0,0,1|2,0,0]=4 3623 B13R1.513 O=C([O-])CSCc1ccc(cn1)Cl 62a_100020667443_100000697101 [0,1,0,0,0,1|2,0,0]=4 3624 B13R1.513 O=C([O-])CSCc1ccc(cn1)F 62a_100000703193_100020667443 [0,1,0,0,0,1|2,0,0]=4 3625 B13R1.513 O=C([O-])CSCc1ccc(cn1)F 62a_100020667443_100000703193 [0,1,0,0,0,1|2,0,0]=4 3626 B13R1.513 O=C([O-])CSCc1ccc(nc1)Br 62a_100009831999_100020667443 [0,1,0,0,0,1|2,0,0]=4 3627 B13R1.513 O=C([O-])CSCc1ccc(nc1)Br 62a_100020667443_100009831999 [0,1,0,0,0,1|2,0,0]=4 3628 B13R1.513 O=C([O-])CSCc1ccc(nc1)Cl 62a_100000735431_100020667443 [0,1,0,0,0,1|2,0,0]=4 3629 B13R1.513 O=C([O-])CSCc1ccc(nc1)Cl 62a_100020667443_100000735431 [0,1,0,0,0,1|2,0,0]=4 3630 B13R1.513 O=C([O-])CSCc1ccc(nc1)F 62a_100009820150_100020667443 [0,1,0,0,0,1|2,0,0]=4 3631 B13R1.513 O=C([O-])CSCc1ccc(nc1)F 62a_100020667443_100000099788 [0,1,0,0,0,1|2,0,0]=4 3632 B13R1.513 O=C([O-])CSCc1ccc(nn1)Cl 62a_100016992710_100020667443 [0,1,0,0,0,1|2,0,0]=4 3633 B13R1.513 O=C([O-])CSCc1ccc(nn1)Cl 62a_100020667443_100016992710 [0,1,0,0,0,1|2,0,0]=4 3634 B13R1.513 O=C([O-])CSCc1ncc(cn1)Br 62a_100010064664_100020667443 [0,1,0,0,0,1|2,0,0]=4 3635 B13R1.513 O=C([O-])CSCc1ncc(cn1)Br 62a_100020667443_100010064664 [0,1,0,0,0,1|2,0,0]=4 3636 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,1,0,0,0,1|2,0,0]=4 3637 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,1,0,0,0,1|2,0,0]=4 3638 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,1,0,0,0,1|2,0,0]=4 3639 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,1,0,0,0,1|2,0,0]=4 3640 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,1,0,0,0,1|2,0,0]=4 3641 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,1,0,0,0,1|1,1,0]=4 3642 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [0,1,0,0,0,1|1,0,0]=3 3643 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [0,1,0,0,0,1|1,0,0]=3 3644 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [0,1,0,0,0,1|1,0,0]=3 3645 B13R1.718 C#CC(=O)CSCc1ccccc1 1458a_100000211873_200011217039 [0,1,0,0,0,1|1,0,1]=4 3646 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,1,0,0,0,1|1,0,1]=4 3647 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,1|2,0,0]=4 3648 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,1|2,0,0]=4 3649 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,0,0,1|2,0,0]=4 3650 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,1,0,0,0,1|2,0,0]=4 3651 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,0,0,0,1|1,1,0]=4 3652 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,0,0,0,1|1,1,0]=4 3653 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,0,0,0,1|1,1,0]=4 3654 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [0,1,0,0,0,1|1,1,0]=4 3655 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [0,1,0,0,0,1|1,1,0]=4 3656 B13R1.718 CCC(=O)COCc1cccnn1 34a_100000725409_100016990269 [0,1,0,0,0,1|1,1,0]=4 3657 B13R1.718 CCC(=O)COCc1cnccn1 34a_100000725409_100016995436 [0,1,0,0,0,1|1,1,0]=4 3658 B13R1.718 CCC(=O)COCc1ncccn1 34a_100000725409_100000703007 [0,1,0,0,0,1|1,1,0]=4 3659 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,1,0,0,0,1|1,0,0]=3 3660 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,1,0,0,0,1|1,0,0]=3 3661 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,1,0,0,0,1|1,0,0]=3 3662 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,1,0,0,0,1|1,0,0]=3 3663 B13R1.718 CCC(=O)CSCc1ccccn1 1458a_100000742634_100000210202 [0,1,0,0,0,1|1,0,0]=3 3664 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000721315_100000747405 [0,1,0,0,0,1|1,0,0]=3 3665 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000747405_100000721315 [0,1,0,0,0,1|1,0,0]=3 3666 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000741622_100000747405 [0,1,0,0,0,1|1,0,0]=3 3667 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000747405_100000741622 [0,1,0,0,0,1|1,0,0]=3 3668 B13R1.718 CCC(=O)CSCc1cccnn1 62a_100000747405_100016990269 [0,1,0,0,0,1|1,0,0]=3 3669 B13R1.718 CCC(=O)CSCc1cccnn1 62a_100016990269_100000747405 [0,1,0,0,0,1|1,0,0]=3 3670 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100000747405_100015193705 [0,1,0,0,0,1|1,0,0]=3 3671 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100015193705_100000747405 [0,1,0,0,0,1|1,0,0]=3 3672 B13R1.718 CCC(=O)CSCc1cnccn1 62a_100000747405_100016995436 [0,1,0,0,0,1|1,0,0]=3 3673 B13R1.718 CCC(=O)CSCc1cnccn1 62a_100016995436_100000747405 [0,1,0,0,0,1|1,0,0]=3 3674 B13R1.718 CCC(=O)CSCc1cncnc1 62a_100000747405_100015196519 [0,1,0,0,0,1|2,0,0]=4 3675 B13R1.718 CCC(=O)CSCc1cncnc1 62a_100015196519_100000747405 [0,1,0,0,0,1|2,0,0]=4 3676 B13R1.718 CCC(=O)CSCc1ncccn1 62a_100000703007_100000747405 [0,1,0,0,0,1|1,0,0]=3 3677 B13R1.718 CCC(=O)CSCc1ncccn1 62a_100000747405_100000703007 [0,1,0,0,0,1|1,0,0]=3 3678 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,1|2,0,0]=4 3679 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 3680 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 3681 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 3682 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,1,0,0,0,1|2,0,0]=4 3683 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 3684 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 3685 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 3686 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [0,1,0,0,0,1|2,0,0]=4 3687 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [0,1,0,0,0,1|2,0,0]=4 3688 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [0,1,0,0,0,1|2,0,0]=4 3689 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [0,1,0,0,0,1|2,0,0]=4 3690 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,1,0,0,0,1|2,0,0]=4 3692 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,1,0,0,0,1|2,0,0]=4 3693 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,1,0,0,0,1|2,0,0]=4 3694 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,1,0,0,0,1|2,0,0]=4 3695 B13R1.718 CNC(=O)CNCc1ccccn1 207a_100000693194_100000209966 [0,1,0,0,0,1|2,0,0]=4 3696 B13R1.718 CNC(=O)CNCc1ccccn1 2230a_100000693194_100000721315 [0,1,0,0,0,1|2,0,0]=4 3697 B13R1.718 CNC(=O)CNCc1ccccn1 270004a_100000693194_100000209966 [0,1,0,0,0,1|2,0,0]=4 3698 B13R1.718 CNC(=O)CNCc1cccnc1 207a_100000693194_100000209961 [0,1,0,0,0,1|2,0,0]=4 3699 B13R1.718 CNC(=O)CNCc1cccnc1 2230a_100000693194_100000741622 [0,1,0,0,0,1|2,0,0]=4 3700 B13R1.718 CNC(=O)CNCc1cccnc1 270004a_100000693194_100000209961 [0,1,0,0,0,1|2,0,0]=4 3701 B13R1.718 CNC(=O)CNCc1cccnn1 2230a_100000693194_100016990269 [0,1,0,0,0,1|2,0,0]=4 3702 B13R1.718 CNC(=O)CNCc1cccnn1 2230a_100159270163_100000183359 [0,1,0,0,0,1|2,0,0]=4 3703 B13R1.718 CNC(=O)CNCc1ccncc1 207a_100000693194_100000186114 [0,1,0,0,0,1|2,0,0]=4 3704 B13R1.718 CNC(=O)CNCc1ccncc1 2230a_100000693194_100015193705 [0,1,0,0,0,1|2,0,0]=4 3705 B13R1.718 CNC(=O)CNCc1cnccn1 2230a_100000693194_100016995436 [0,1,0,0,0,1|2,0,0]=4 3706 B13R1.718 CNC(=O)CNCc1cnccn1 270004a_100000693194_100000749867 [0,1,0,0,0,1|2,0,0]=4 3707 B13R1.718 CNC(=O)CNCc1ncccn1 2230a_100000693194_100000703007 [0,1,0,0,0,1|2,0,0]=4 3708 B13R1.718 CNC(=O)CNCc1ncccn1 270004a_100000693194_100011532527 [0,1,0,0,0,1|2,0,0]=4 3709 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,1,0,0,0,1|1,1,0]=4 3710 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,1,0,0,0,1|1,1,0]=4 3711 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,1,0,0,0,1|1,1,0]=4 3712 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,1,0,0,0,1|1,1,0]=4 3713 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,1,0,0,0,1|1,1,0]=4 3714 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,1,0,0,0,1|1,1,0]=4 3715 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,1,0,0,0,1|1,1,0]=4 3716 B13R1.718 CNC(=O)COCc1ccccn1 34a_100000750040_100000721315 [0,1,0,0,0,1|1,1,0]=4 3717 B13R1.718 CNC(=O)COCc1cccnc1 34a_100000750040_100000733263 [0,1,0,0,0,1|1,1,0]=4 3718 B13R1.718 CNC(=O)COCc1cccnn1 34a_100000750040_100016990269 [0,1,0,0,0,1|1,1,0]=4 3719 B13R1.718 CNC(=O)COCc1cnccn1 34a_100000750040_100016995436 [0,1,0,0,0,1|1,1,0]=4 3720 B13R1.718 CNC(=O)COCc1ncccn1 34a_100000750040_100000703007 [0,1,0,0,0,1|1,1,0]=4 3721 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,1,0,0,0,1|1,0,0]=3 3722 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,1,0,0,0,1|1,0,0]=3 3723 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,1,0,0,0,1|1,0,0]=3 3724 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,1,0,0,0,1|1,0,0]=3 3725 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,1,0,0,0,1|1,0,0]=3 3726 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,1,0,0,0,1|1,0,0]=3 3727 B13R1.718 CNC(=O)CSCc1ccccn1 11a_106832991635_100000742634 [0,1,0,0,0,1|1,0,0]=3 3728 B13R1.718 CNC(=O)CSCc1ccccn1 1626a_100102657272_100000742634 [0,1,0,0,0,1|1,0,0]=3 3729 B13R1.718 CNC(=O)CSCc1ccccn1 240690a_100102657272_100000742634 [0,1,0,0,0,1|1,0,0]=3 3730 B13R1.718 CNC(=O)CSCc1ccccn1 527a_100102657272_100000742634 [0,1,0,0,0,1|1,0,0]=3 3731 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000183359_100000721315 [0,1,0,0,0,1|1,0,0]=3 3732 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000721315_100000183359 [0,1,0,0,0,1|1,0,0]=3 3733 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000183359_100000741622 [0,1,0,0,0,1|1,0,0]=3 3734 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000741622_100000183359 [0,1,0,0,0,1|1,0,0]=3 3735 B13R1.718 CNC(=O)CSCc1cccnn1 62a_100000183359_100016990269 [0,1,0,0,0,1|1,0,0]=3 3736 B13R1.718 CNC(=O)CSCc1cccnn1 62a_100016990269_100000183359 [0,1,0,0,0,1|1,0,0]=3 3737 B13R1.718 CNC(=O)CSCc1ccncc1 1626a_100102657272_100000742635 [0,1,0,0,0,1|1,0,0]=3 3738 B13R1.718 CNC(=O)CSCc1ccncc1 240690a_100102657272_100000742635 [0,1,0,0,0,1|1,0,0]=3 3739 B13R1.718 CNC(=O)CSCc1ccncc1 527a_100102657272_100000742635 [0,1,0,0,0,1|1,0,0]=3 3740 B13R1.718 CNC(=O)CSCc1ccncc1 62a_100000183359_100015193705 [0,1,0,0,0,1|1,0,0]=3 3741 B13R1.718 CNC(=O)CSCc1ccncc1 62a_100015193705_100000183359 [0,1,0,0,0,1|1,0,0]=3 3742 B13R1.718 CNC(=O)CSCc1cnccn1 62a_100000183359_100016995436 [0,1,0,0,0,1|1,0,0]=3 3743 B13R1.718 CNC(=O)CSCc1cnccn1 62a_100016995436_100000183359 [0,1,0,0,0,1|1,0,0]=3 3744 B13R1.718 CNC(=O)CSCc1cncnc1 62a_100000183359_100015196519 [0,1,0,0,0,1|2,0,0]=4 3745 B13R1.718 CNC(=O)CSCc1cncnc1 62a_100015196519_100000183359 [0,1,0,0,0,1|2,0,0]=4 3746 B13R1.718 CNC(=O)CSCc1ncccn1 62a_100000183359_100000703007 [0,1,0,0,0,1|1,0,0]=3 3747 B13R1.718 CNC(=O)CSCc1ncccn1 62a_100000703007_100000183359 [0,1,0,0,0,1|1,0,0]=3 3748 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,1|2,0,0]=4 3749 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,1|2,0,0]=4 3750 B13R1.718 COC(=O)CNCc1cccnn1 2230a_100159270163_100000747449 [0,1,0,0,0,1|2,0,0]=4 3751 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,1|1,1,0]=4 3752 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,1|1,1,0]=4 3753 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,1|1,0,0]=3 3754 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,1|1,0,0]=3 3755 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,1,0,0,0,1|1,0,0]=3 3756 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,1,0,0,0,1|1,0,0]=3 3757 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,1,0,0,0,1|1,0,0]=3 3758 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,1,0,0,0,1|1,0,0]=3 3759 B13R1.718 COC(=O)CSCc1cccnn1 62a_100000747449_100016990269 [0,1,0,0,0,1|1,0,0]=3 3760 B13R1.718 COC(=O)CSCc1cccnn1 62a_100016990269_100000747449 [0,1,0,0,0,1|1,0,0]=3 3761 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,1,0,0,0,1|1,0,0]=3 3762 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,1,0,0,0,1|1,0,0]=3 3763 B13R1.718 COC(=O)CSCc1cnccn1 62a_100000747449_100016995436 [0,1,0,0,0,1|1,0,0]=3 3764 B13R1.718 COC(=O)CSCc1cnccn1 62a_100016995436_100000747449 [0,1,0,0,0,1|1,0,0]=3 3765 B13R1.718 COC(=O)CSCc1cncnc1 62a_100000747449_100015196519 [0,1,0,0,0,1|2,0,0]=4 3766 B13R1.718 COC(=O)CSCc1cncnc1 62a_100015196519_100000747449 [0,1,0,0,0,1|2,0,0]=4 3767 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000703007_100000747449 [0,1,0,0,0,1|1,0,0]=3 3768 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000747449_100000703007 [0,1,0,0,0,1|1,0,0]=3 3769 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,1|2,0,0]=4 3770 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,1,0,0,0,1|2,0,0]=4 3771 B13R1.718 O=C(CF)CCCc1ccncc1 1458a_100020654287_100015361967 [0,1,0,0,0,1|2,0,0]=4 3772 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,0,0,0,1|1,1,0]=4 3773 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,1,0,0,0,1|1,0,0]=3 3774 B13R1.718 O=C(CF)CSCc1ccccn1 1458a_100000742634_100015361967 [0,1,0,0,0,1|1,0,0]=3 3775 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,1|2,0,0]=4 3776 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,1|1,0,0]=3 3777 B13R1.128 C=C(C)CCNCc1ccc(o1)Br 34a_100000708654_100000730704 [0,1,0,0,0,1|2,0,0]=4 3778 B13R1.128 C=C(C)CCNCc1ccc(o1)C 34a_100011194323_100000730704 [0,1,0,0,0,1|2,0,0]=4 3779 B13R1.128 C=C(C)CCOCc1ccc(o1)Br 34a_100000246276_100000730704 [0,1,0,0,0,1|1,1,0]=4 3780 B13R1.128 C=C(C)CCOCc1ccc(o1)Br 7a_100000246276_100000730704 [0,1,0,0,0,1|1,1,0]=4 3781 B13R1.128 C=C(C)CCOCc1ccc(o1)C 34a_100011232665_100000730704 [0,1,0,0,0,1|1,1,0]=4 3782 B13R1.128 C=C(C)CCOCc1ccc(o1)C 7a_100011232665_100000730704 [0,1,0,0,0,1|1,1,0]=4 3783 B13R1.128 C=C(C)CCSCc1cc(cs1)Br 62a_100000730704_100000746031 [0,1,0,0,0,1|1,1,0]=4 3784 B13R1.128 C=C(C)CCSCc1cc(cs1)Br 62a_100000746031_100000730704 [0,1,0,0,0,1|1,1,0]=4 3785 B13R1.128 C=C(C)CCSCc1cc(no1)Br 62a_100000709089_100000730704 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.128 C=C(C)CCSCc1cc(no1)Br 62a_100000730704_100000709089 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.128 C=C(C)CCSCc1cc(no1)C 62a_100000707947_100000730704 [0,1,0,0,0,1|2,0,0]=4 3788 B13R1.128 C=C(C)CCSCc1cc(no1)C 62a_100000730704_100000707947 [0,1,0,0,0,1|2,0,0]=4 3789 B13R1.128 C=C(C)CCSCc1ccc(s1)Br 62a_100000708592_100000730704 [0,1,0,0,0,1|1,1,0]=4 3790 B13R1.128 C=C(C)CCSCc1ccc(s1)Br 62a_100000730704_100000708592 [0,1,0,0,0,1|1,1,0]=4 3791 B13R1.128 C=C(C)CCSCc1ccc(s1)Cl 62a_100000185097_100000730704 [0,1,0,0,0,1|1,1,0]=4 3792 B13R1.128 C=C(C)CCSCc1ccc(s1)Cl 62a_100000730704_100000185097 [0,1,0,0,0,1|1,1,0]=4 3793 B13R1.128 C=C(C)CNCCc1ccc(o1)C 2230a_100000739271_100000748629 [0,1,0,0,0,1|2,0,0]=4 3794 B13R1.128 C=C(C)CNCCc1ccc(o1)C 34a_100000739271_100000748629 [0,1,0,0,0,1|2,0,0]=4 3795 B13R1.128 C=C(C)COCCc1ccc(o1)C 34a_100012161071_100000748629 [0,1,0,0,0,1|1,1,0]=4 3796 B13R1.128 C=C(C)COCCc1ccc(o1)C 7a_100012161071_100000748629 [0,1,0,0,0,1|1,1,0]=4 3797 B13R1.128 CC(=CCNCc1cc(co1)Br)C 270004a_100000718196_100000747035 [0,1,0,0,0,1|2,0,0]=4 3798 B13R1.128 CC(=CCNCc1ccc(o1)Br)C 270004a_100000718196_100000185145 [0,1,0,0,0,1|2,0,0]=4 3799 B13R1.128 CC(=CCNCc1ccc(o1)Br)C 34a_100000708654_100000761012 [0,1,0,0,0,1|2,0,0]=4 3800 B13R1.128 CC(=CCNCc1ccc(o1)C)C 270004a_100000718196_100000183696 [0,1,0,0,0,1|2,0,0]=4 3801 B13R1.128 CC(=CCNCc1ccc(o1)C)C 34a_100011194323_100000761012 [0,1,0,0,0,1|2,0,0]=4 3802 B13R1.128 CC(=CCNCc1ccc(o1)Cl)C 270004a_100000718196_100000188459 [0,1,0,0,0,1|2,0,0]=4 3803 B13R1.128 CC(=CCOCc1ccc(o1)Br)C 34a_100000246276_100000761012 [0,1,0,0,0,1|1,1,0]=4 3804 B13R1.128 CC(=CCOCc1ccc(o1)Br)C 7a_100000246276_100000761012 [0,1,0,0,0,1|1,1,0]=4 3805 B13R1.128 CC(=CCOCc1ccc(o1)C)C 34a_100011232665_100000761012 [0,1,0,0,0,1|1,1,0]=4 3806 B13R1.128 CC(=CCOCc1ccc(o1)C)C 7a_100011232665_100000761012 [0,1,0,0,0,1|1,1,0]=4 3807 B13R1.128 CC(=CCSCc1cc(cs1)Br)C 62a_100000746031_100000761012 [0,1,0,0,0,1|1,1,0]=4 3808 B13R1.128 CC(=CCSCc1cc(cs1)Br)C 62a_100000761012_100000746031 [0,1,0,0,0,1|1,1,0]=4 3809 B13R1.128 CC(=CCSCc1cc(no1)Br)C 62a_100000709089_100000761012 [0,1,0,0,0,1|2,0,0]=4 3810 B13R1.128 CC(=CCSCc1cc(no1)Br)C 62a_100000761012_100000709089 [0,1,0,0,0,1|2,0,0]=4 3811 B13R1.128 CC(=CCSCc1cc(no1)C)C 62a_100000707947_100000761012 [0,1,0,0,0,1|2,0,0]=4 3812 B13R1.128 CC(=CCSCc1cc(no1)C)C 62a_100000761012_100000707947 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.128 CC(=CCSCc1ccc(s1)Br)C 62a_100000708592_100000761012 [0,1,0,0,0,1|1,1,0]=4 3814 B13R1.128 CC(=CCSCc1ccc(s1)Br)C 62a_100000761012_100000708592 [0,1,0,0,0,1|1,1,0]=4 3815 B13R1.128 CC(=CCSCc1ccc(s1)Cl)C 62a_100000185097_100000761012 [0,1,0,0,0,1|1,1,0]=4 3816 B13R1.128 CC(=CCSCc1ccc(s1)Cl)C 62a_100000761012_100000185097 [0,1,0,0,0,1|1,1,0]=4 3817 B13R1.128 CC(=O)CCCSc1cc(cs1)C 62a_100009876951_100011215641 [0,1,0,0,0,1|1,1,0]=4 3818 B13R1.128 CC(=O)CCCSc1cc(cs1)C 62a_100011215641_100009876951 [0,1,0,0,0,1|1,1,0]=4 3819 B13R1.128 CC(=O)CCCSc1ccc(s1)Br 62a_100010197418_100011215641 [0,1,0,0,0,1|1,1,0]=4 3820 B13R1.128 CC(=O)CCCSc1ccc(s1)Br 62a_100011215641_100010197418 [0,1,0,0,0,1|1,1,0]=4 3821 B13R1.128 CC(=O)CCCSc1ccc(s1)C 62a_100000031368_100011215641 [0,1,0,0,0,1|1,1,0]=4 3822 B13R1.128 CC(=O)CCCSc1ccc(s1)C 62a_100011215641_100000031368 [0,1,0,0,0,1|1,1,0]=4 3823 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 34a_100000759926_100000746031 [0,1,0,0,0,1|0,2,0]=4 3824 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100000053229 [0,1,0,0,0,1|0,2,0]=4 3825 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 7a_100000759926_100000746031 [0,1,0,0,0,1|0,2,0]=4 3826 B13R1.128 CC(=O)CCOCc1cc(cs1)C 7a_200000068372_100000053229 [0,1,0,0,0,1|0,2,0]=4 3827 B13R1.128 CC(=O)CCOCc1cc(no1)Br 7a_100000759926_100000709089 [0,1,0,0,0,1|1,1,0]=4 3828 B13R1.128 CC(=O)CCOCc1cc(no1)C 34a_100000759926_100000707947 [0,1,0,0,0,1|1,1,0]=4 3829 B13R1.128 CC(=O)CCOCc1cc(no1)C 7a_100000759926_100000707947 [0,1,0,0,0,1|1,1,0]=4 3830 B13R1.128 CC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000053229 [0,1,0,0,0,1|0,1,0]=3 3831 B13R1.128 CC(=O)CCOCc1ccc(o1)C 7a_100011232665_100000053229 [0,1,0,0,0,1|0,1,0]=3 3832 B13R1.128 CC(=O)CCOCc1ccc(s1)Br 34a_100000759926_100000708592 [0,1,0,0,0,1|0,2,0]=4 3833 B13R1.128 CC(=O)CCOCc1ccc(s1)Br 7a_100000759926_100000708592 [0,1,0,0,0,1|0,2,0]=4 3834 B13R1.128 CC(=O)CCOCc1ccc(s1)Cl 34a_100000759926_100000185097 [0,1,0,0,0,1|0,2,0]=4 3835 B13R1.128 CC(=O)CCOCc1ccc(s1)Cl 7a_100000759926_100000185097 [0,1,0,0,0,1|0,2,0]=4 3836 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000053229_100000716558 [0,1,0,0,0,1|2,0,0]=4 3837 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000053229 [0,1,0,0,0,1|2,0,0]=4 3838 B13R1.128 CC(=O)CCSCc1cc(cs1)Br 62a_100000053229_100000746031 [0,1,0,0,0,1|0,1,0]=3 3839 B13R1.128 CC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000053229 [0,1,0,0,0,1|0,1,0]=3 3840 B13R1.128 CC(=O)CCSCc1cc(no1)Br 62a_100000053229_100000709089 [0,1,0,0,0,1|1,0,0]=3 3841 B13R1.128 CC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000053229 [0,1,0,0,0,1|1,0,0]=3 3842 B13R1.128 CC(=O)CCSCc1cc(no1)C 62a_100000053229_100000707947 [0,1,0,0,0,1|1,0,0]=3 3843 B13R1.128 CC(=O)CCSCc1cc(no1)C 62a_100000707947_100000053229 [0,1,0,0,0,1|1,0,0]=3 3844 B13R1.128 CC(=O)CCSCc1cc(on1)C 62a_100000053229_100000199038 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.128 CC(=O)CCSCc1cc(on1)C 62a_100000199038_100000053229 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.128 CC(=O)CCSCc1ccc(s1)Br 62a_100000053229_100000708592 [0,1,0,0,0,1|0,1,0]=3 3847 B13R1.128 CC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000053229 [0,1,0,0,0,1|0,1,0]=3 3848 B13R1.128 CC(=O)CCSCc1ccc(s1)Cl 62a_100000053229_100000185097 [0,1,0,0,0,1|0,1,0]=3 3849 B13R1.128 CC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000053229 [0,1,0,0,0,1|0,1,0]=3 3850 B13R1.128 CC(=O)CCSCc1ccn(n1)C 62a_100000053229_100000726502 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.128 CC(=O)CCSCc1ccn(n1)C 62a_100000726502_100000053229 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.128 CC(=O)CCSCc1cn(cn1)C 62a_100000053229_100000717665 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.128 CC(=O)CCSCc1cn(cn1)C 62a_100000717665_100000053229 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.128 CC(=O)CCSCc1cnc(s1)Br 62a_100000053229_100000717027 [0,1,0,0,0,1|1,1,0]=4 3855 B13R1.128 CC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000053229 [0,1,0,0,0,1|1,1,0]=4 3856 B13R1.128 CC(=O)CCSCc1cnc(s1)C 62a_100000053229_100020635045 [0,1,0,0,0,1|1,1,0]=4 3857 B13R1.128 CC(=O)CCSCc1cnc(s1)C 62a_100020635045_100000053229 [0,1,0,0,0,1|1,1,0]=4 3858 B13R1.128 CC(=O)CCSCc1cnc(s1)Cl 62a_100000053229_100000058068 [0,1,0,0,0,1|1,1,0]=4 3859 B13R1.128 CC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000053229 [0,1,0,0,0,1|1,1,0]=4 3860 B13R1.128 CC(=O)CCSCc1csc(n1)C 1458a_100000230772_200000210301 [0,1,0,0,0,1|2,0,0]=4 3861 B13R1.128 CC(=O)CCSCc1csc(n1)C 62a_100000053229_100015186478 [0,1,0,0,0,1|2,0,0]=4 3862 B13R1.128 CC(=O)CCSCc1csc(n1)C 62a_100015186478_100000053229 [0,1,0,0,0,1|2,0,0]=4 3863 B13R1.128 CC(=O)CCSCc1csc(n1)Cl 62a_100000024076_100000053229 [0,1,0,0,0,1|2,0,0]=4 3864 B13R1.128 CC(=O)CCSCc1csc(n1)Cl 62a_100000053229_100000024076 [0,1,0,0,0,1|2,0,0]=4 3865 B13R1.128 CC(=O)CCSCc1nc(no1)C 62a_100000053229_100000735555 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.128 CC(=O)CCSCc1nc(no1)C 62a_100000735555_100000053229 [0,1,0,0,0,1|2,0,0]=4 3867 B13R1.128 CC(=O)CCSCc1nnc(o1)C 62a_100000053229_100000181450 [0,1,0,0,0,1|2,0,0]=4 3868 B13R1.128 CC(=O)CCSCc1nnc(o1)C 62a_100000181450_100000053229 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.128 CC(=O)OCNCc1cc(cs1)Br 34a_100000741024_100009813279 [0,1,0,0,0,1|1,1,0]=4 3870 B13R1.128 CC(=O)OCNCc1cc(cs1)C 34a_100015204214_100009813279 [0,1,0,0,0,1|1,1,0]=4 3871 B13R1.128 CC(=O)OCNCc1cc(no1)Br 34a_100015193020_100009813279 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.128 CC(=O)OCNCc1cc(no1)C 34a_100000745748_100009813279 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.128 CC(=O)OCNCc1ccc(o1)Br 34a_100000708654_100009813279 [0,1,0,0,0,1|1,0,0]=3 3874 B13R1.128 CC(=O)OCNCc1ccc(o1)C 34a_100011194323_100009813279 [0,1,0,0,0,1|1,0,0]=3 3875 B13R1.128 CC(=O)OCNCc1ncc(o1)C 34a_100138411809_100009813279 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.128 CC(=O)OCOCc1cc(cs1)Br 34a_100000238369_100009813279 [0,1,0,0,0,1|0,2,0]=4 3877 B13R1.128 CC(=O)OCOCc1cc(cs1)C 34a_200000068372_100009813279 [0,1,0,0,0,1|0,2,0]=4 3878 B13R1.128 CC(=O)OCOCc1cc(no1)Br 34a_100009816691_100009813279 [0,1,0,0,0,1|1,1,0]=4 3879 B13R1.128 CC(=O)OCOCc1cc(no1)C 34a_100000684692_100009813279 [0,1,0,0,0,1|1,1,0]=4 3880 B13R1.128 CC(=O)OCOCc1ccc(o1)Br 34a_100000246276_100009813279 [0,1,0,0,0,1|0,1,0]=3 3881 B13R1.128 CC(=O)OCOCc1ccc(o1)C 34a_100011232665_100009813279 [0,1,0,0,0,1|0,1,0]=3 3882 B13R1.128 CC(=O)OCOCc1ccc(s1)C 34a_100000238367_100009813279 [0,1,0,0,0,1|0,2,0]=4 3883 B13R1.128 CC(=O)OCSCC1=CC(=O)OC1 62a_100000076356_100000716558 [0,1,0,0,0,1|2,0,0]=4 3884 B13R1.128 CC(=O)OCSCC1=CC(=O)OC1 62a_100000716558_100000076356 [0,1,0,0,0,1|2,0,0]=4 3885 B13R1.128 CC(=O)OCSCc1cc(cs1)Br 62a_100000076356_100000746031 [0,1,0,0,0,1|0,1,0]=3 3886 B13R1.128 CC(=O)OCSCc1cc(cs1)Br 62a_100000746031_100000076356 [0,1,0,0,0,1|0,1,0]=3 3887 B13R1.128 CC(=O)OCSCc1cc(no1)Br 62a_100000076356_100000709089 [0,1,0,0,0,1|1,0,0]=3 3888 B13R1.128 CC(=O)OCSCc1cc(no1)Br 62a_100000709089_100000076356 [0,1,0,0,0,1|1,0,0]=3 3889 B13R1.128 CC(=O)OCSCc1cc(no1)C 62a_100000076356_100000707947 [0,1,0,0,0,1|1,0,0]=3 3890 B13R1.128 CC(=O)OCSCc1cc(no1)C 62a_100000707947_100000076356 [0,1,0,0,0,1|1,0,0]=3 3891 B13R1.128 CC(=O)OCSCc1cc(on1)C 62a_100000076356_100000199038 [0,1,0,0,0,1|2,0,0]=4 3892 B13R1.128 CC(=O)OCSCc1cc(on1)C 62a_100000199038_100000076356 [0,1,0,0,0,1|2,0,0]=4 3893 B13R1.128 CC(=O)OCSCc1ccc(s1)Br 62a_100000076356_100000708592 [0,1,0,0,0,1|0,1,0]=3 3894 B13R1.128 CC(=O)OCSCc1ccc(s1)Br 62a_100000708592_100000076356 [0,1,0,0,0,1|0,1,0]=3 3895 B13R1.128 CC(=O)OCSCc1ccc(s1)Cl 62a_100000076356_100000185097 [0,1,0,0,0,1|0,1,0]=3 3896 B13R1.128 CC(=O)OCSCc1ccc(s1)Cl 62a_100000185097_100000076356 [0,1,0,0,0,1|0,1,0]=3 3897 B13R1.128 CC(=O)OCSCc1ccn(n1)C 62a_100000076356_100000726502 [0,1,0,0,0,1|2,0,0]=4 3898 B13R1.128 CC(=O)OCSCc1ccn(n1)C 62a_100000726502_100000076356 [0,1,0,0,0,1|2,0,0]=4 3899 B13R1.128 CC(=O)OCSCc1cn(cn1)C 62a_100000076356_100000717665 [0,1,0,0,0,1|2,0,0]=4 3900 B13R1.128 CC(=O)OCSCc1cn(cn1)C 62a_100000717665_100000076356 [0,1,0,0,0,1|2,0,0]=4 3901 B13R1.128 CC(=O)OCSCc1cnc(s1)Br 62a_100000076356_100000717027 [0,1,0,0,0,1|1,1,0]=4 3902 B13R1.128 CC(=O)OCSCc1cnc(s1)Br 62a_100000717027_100000076356 [0,1,0,0,0,1|1,1,0]=4 3903 B13R1.128 CC(=O)OCSCc1cnc(s1)C 62a_100000076356_100020635045 [0,1,0,0,0,1|1,1,0]=4 3904 B13R1.128 CC(=O)OCSCc1cnc(s1)C 62a_100020635045_100000076356 [0,1,0,0,0,1|1,1,0]=4 3905 B13R1.128 CC(=O)OCSCc1cnc(s1)Cl 62a_100000058068_100000076356 [0,1,0,0,0,1|1,1,0]=4 3906 B13R1.128 CC(=O)OCSCc1cnc(s1)Cl 62a_100000076356_100000058068 [0,1,0,0,0,1|1,1,0]=4 3907 B13R1.128 CC(=O)OCSCc1csc(n1)C 62a_100000076356_100015186478 [0,1,0,0,0,1|2,0,0]=4 3908 B13R1.128 CC(=O)OCSCc1csc(n1)C 62a_100015186478_100000076356 [0,1,0,0,0,1|2,0,0]=4 3909 B13R1.128 CC(=O)OCSCc1csc(n1)Cl 62a_100000024076_100000076356 [0,1,0,0,0,1|2,0,0]=4 3910 B13R1.128 CC(=O)OCSCc1csc(n1)Cl 62a_100000076356_100000024076 [0,1,0,0,0,1|2,0,0]=4 3911 B13R1.128 CC(=O)OCSCc1nc(no1)C 62a_100000076356_100000735555 [0,1,0,0,0,1|2,0,0]=4 3912 B13R1.128 CC(=O)OCSCc1nc(no1)C 62a_100000735555_100000076356 [0,1,0,0,0,1|2,0,0]=4 3913 B13R1.128 CC(=O)OCSCc1nnc(o1)C 62a_100000076356_100000181450 [0,1,0,0,0,1|2,0,0]=4 3914 B13R1.128 CC(=O)OCSCc1nnc(o1)C 62a_100000181450_100000076356 [0,1,0,0,0,1|2,0,0]=4 3915 B13R1.128 Cc1cc(on1)CSCCC(=O)N 62a_100000707947_100000744528 [0,1,0,0,0,1|2,0,0]=4 3916 B13R1.128 Cc1cc(on1)CSCCC(=O)N 62a_100000744528_100000707947 [0,1,0,0,0,1|2,0,0]=4 3917 B13R1.128 Cc1ccc(o1)CCNCC(=O)N 2230a_100000739271_100000747473 [0,1,0,0,0,1|2,0,0]=4 3918 B13R1.128 Cc1ccc(o1)CCNCC(=O)N 34a_100000739271_100000187820 [0,1,0,0,0,1|2,0,0]=4 3919 B13R1.128 Cc1ccc(o1)CCNCC(=O)[O-] 34a_100000739271_100020667443 [0,1,0,0,0,1|2,0,0]=4 3920 B13R1.128 Cc1ccc(o1)CCOCC(=O)N 34a_100012161071_100000187820 [0,1,0,0,0,1|1,1,0]=4 3921 B13R1.128 Cc1ccc(o1)CCOCC(=O)N 7a_100012161071_100000187820 [0,1,0,0,0,1|1,1,0]=4 3922 B13R1.128 Cc1ccc(o1)CCOCC(=O)[O-] 34a_100012161071_100020667443 [0,1,0,0,0,1|1,1,0]=4 3923 B13R1.128 Cc1ccc(o1)CNCCC(=O)N 207a_100000740010_100000183696 [0,1,0,0,0,1|2,0,0]=4 3924 B13R1.128 Cc1ccc(o1)CNCCC(=O)N 34a_100011194323_100000731001 [0,1,0,0,0,1|2,0,0]=4 3925 B13R1.128 Cc1ccc(o1)COCCC(=O)N 34a_100011232665_100000731001 [0,1,0,0,0,1|1,1,0]=4 3926 B13R1.128 Cc1ccc(o1)COCCC(=O)N 7a_100011232665_100000744528 [0,1,0,0,0,1|1,1,0]=4 3927 B13R1.128 Cc1nc(cs1)CSCCC(=O)[13CH3] 1458a_100000230772_200025704644 [0,1,0,0,0,1|2,0,0]=4 3928 B13R1.128 NC(=O)CCNCc1ccc(o1)Br 207a_100000740010_100000185145 [0,1,0,0,0,1|2,0,0]=4 3929 B13R1.128 NC(=O)CCNCc1ccc(o1)Br 34a_100000708654_100000731001 [0,1,0,0,0,1|2,0,0]=4 3930 B13R1.128 NC(=O)CCNCc1ccc(o1)Cl 207a_100000740010_100000188459 [0,1,0,0,0,1|2,0,0]=4 3931 B13R1.128 NC(=O)CCNCc1ccc(o1)I 207a_100000740010_100000186757 [0,1,0,0,0,1|2,0,0]=4 3932 B13R1.128 NC(=O)CCOCc1ccc(o1)Br 34a_100000246276_100000731001 [0,1,0,0,0,1|1,1,0]=4 3933 B13R1.128 NC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000744528 [0,1,0,0,0,1|1,1,0]=4 3934 B13R1.128 NC(=O)CCSCc1cc(cs1)Br 62a_100000744528_100000746031 [0,1,0,0,0,1|1,1,0]=4 3935 B13R1.128 NC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000744528 [0,1,0,0,0,1|1,1,0]=4 3936 B13R1.128 NC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000744528 [0,1,0,0,0,1|2,0,0]=4 3937 B13R1.128 NC(=O)CCSCc1cc(no1)Br 62a_100000744528_100000709089 [0,1,0,0,0,1|2,0,0]=4 3938 B13R1.128 NC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000744528 [0,1,0,0,0,1|1,1,0]=4 3939 B13R1.128 NC(=O)CCSCc1ccc(s1)Br 62a_100000744528_100000708592 [0,1,0,0,0,1|1,1,0]=4 3940 B13R1.128 NC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000744528 [0,1,0,0,0,1|1,1,0]=4 3941 B13R1.128 NC(=O)CCSCc1ccc(s1)Cl 62a_100000744528_100000185097 [0,1,0,0,0,1|1,1,0]=4 3942 B13R1.167 C=C(C)CCOCc1occc1C 34a_100011273948_100000730704 [0,1,0,0,0,1|1,1,0]=4 3943 B13R1.167 C=C(C)CCOCc1occc1C 7a_100011273948_100000730704 [0,1,0,0,0,1|1,1,0]=4 3944 B13R1.167 CC(=CCNCc1occc1Br)C 270004a_100000718196_100000756499 [0,1,0,0,0,1|2,0,0]=4 3945 B13R1.167 CC(=CCNCc1occc1C)C 270004a_100000718196_100000763527 [0,1,0,0,0,1|2,0,0]=4 3946 B13R1.167 CC(=CCOCc1occc1C)C 34a_100011273948_100000761012 [0,1,0,0,0,1|1,1,0]=4 3947 B13R1.167 CC(=CCOCc1occc1C)C 7a_100011273948_100000761012 [0,1,0,0,0,1|1,1,0]=4 3948 B13R1.167 CC(=O)CCCSc1sccc1Br 62a_100011215641_100012361411 [0,1,0,0,0,1|1,1,0]=4 3949 B13R1.167 CC(=O)CCCSc1sccc1Br 62a_100012361411_100011215641 [0,1,0,0,0,1|1,1,0]=4 3950 B13R1.167 CC(=O)CCCSc1sccc1C 62a_100010247149_100011215641 [0,1,0,0,0,1|1,1,0]=4 3951 B13R1.167 CC(=O)CCCSc1sccc1C 62a_100011215641_100010247149 [0,1,0,0,0,1|1,1,0]=4 3952 B13R1.167 CC(=O)CCOCc1occc1C 7a_100011273948_100000053229 [0,1,0,0,0,1|0,1,0]=3 3953 B13R1.167 CC(=O)CCOCc1ocnc1C 7a_100000717716_100000053229 [0,1,0,0,0,1|1,1,0]=4 3954 B13R1.167 CC(=O)CCOCc1sccc1C 7a_100000238368_100000053229 [0,1,0,0,0,1|0,2,0]=4 3955 B13R1.167 CC(=O)CCOCc1sccc1Cl 7a_100000722387_100000053229 [0,1,0,0,0,1|0,2,0]=4 3956 B13R1.167 CC(=O)CCSCc1ccnn1C 62a_100000053229_100000691648 [0,1,0,0,0,1|2,0,0]=4 3957 B13R1.167 CC(=O)CCSCc1ccnn1C 62a_100000691648_100000053229 [0,1,0,0,0,1|2,0,0]=4 3958 B13R1.167 CC(=O)CCSCc1ccsc1Br 62a_100000053229_100009814289 [0,1,0,0,0,1|2,0,0]=4 3959 B13R1.167 CC(=O)CCSCc1ccsc1Br 62a_100009814289_100000053229 [0,1,0,0,0,1|2,0,0]=4 3960 B13R1.167 CC(=O)CCSCc1ccsc1Cl 62a_100000053229_100010167017 [0,1,0,0,0,1|2,0,0]=4 3961 B13R1.167 CC(=O)CCSCc1ccsc1Cl 62a_100010167017_100000053229 [0,1,0,0,0,1|2,0,0]=4 3962 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000053229_100000751220 [0,1,0,0,0,1|2,0,0]=4 3963 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000053229 [0,1,0,0,0,1|2,0,0]=4 3964 B13R1.167 CC(=O)CCSCc1nccn1C 62a_100000053229_100000700302 [0,1,0,0,0,1|2,0,0]=4 3965 B13R1.167 CC(=O)CCSCc1nccn1C 62a_100000700302_100000053229 [0,1,0,0,0,1|2,0,0]=4 3966 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_100000053229_200000693990 [0,1,0,0,0,1|2,0,0]=4 3967 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_200000693990_100000053229 [0,1,0,0,0,1|2,0,0]=4 3968 B13R1.167 CC(=O)OCNCc1cccn1C 34a_100011219357_100009813279 [0,1,0,0,0,1|2,0,0]=4 3969 B13R1.167 CC(=O)OCNCc1sccc1C 34a_100000238519_100009813279 [0,1,0,0,0,1|1,1,0]=4 3970 B13R1.167 CC(=O)OCNCc1sccc1Cl 34a_100011934584_100009813279 [0,1,0,0,0,1|1,1,0]=4 3971 B13R1.167 CC(=O)OCOCc1occc1C 34a_100011273948_100009813279 [0,1,0,0,0,1|0,1,0]=3 3972 B13R1.167 CC(=O)OCOCc1ocnc1C 34a_100000717716_100009813279 [0,1,0,0,0,1|1,1,0]=4 3973 B13R1.167 CC(=O)OCOCc1oncc1C 34a_200011065769_100009813279 [0,1,0,0,0,1|1,1,0]=4 3974 B13R1.167 CC(=O)OCOCc1sccc1Br 34a_100000702026_100009813279 [0,1,0,0,0,1|0,2,0]=4 3975 B13R1.167 CC(=O)OCOCc1sccc1C 34a_100000238368_100009813279 [0,1,0,0,0,1|0,2,0]=4 3976 B13R1.167 CC(=O)OCOCc1sccc1Cl 34a_100000722387_100009813279 [0,1,0,0,0,1|0,2,0]=4 3977 B13R1.167 CC(=O)OCSCc1ccnn1C 62a_100000076356_100000691648 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.167 CC(=O)OCSCc1ccnn1C 62a_100000691648_100000076356 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.167 CC(=O)OCSCc1ccsc1Br 62a_100000076356_100009814289 [0,1,0,0,0,1|2,0,0]=4 3980 B13R1.167 CC(=O)OCSCc1ccsc1Br 62a_100009814289_100000076356 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.167 CC(=O)OCSCc1ccsc1Cl 62a_100000076356_100010167017 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.167 CC(=O)OCSCc1ccsc1Cl 62a_100010167017_100000076356 [0,1,0,0,0,1|2,0,0]=4 3983 B13R1.167 CC(=O)OCSCc1nc[nH]c1C 62a_100000076356_100000751220 [0,1,0,0,0,1|2,0,0]=4 3984 B13R1.167 CC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000076356 [0,1,0,0,0,1|2,0,0]=4 3985 B13R1.167 CC(=O)OCSCc1nccn1C 62a_100000076356_100000700302 [0,1,0,0,0,1|2,0,0]=4 3986 B13R1.167 CC(=O)OCSCc1nccn1C 62a_100000700302_100000076356 [0,1,0,0,0,1|2,0,0]=4 3987 B13R1.167 CC(=O)OCSCc1ncoc1C 62a_100000076356_200000693990 [0,1,0,0,0,1|2,0,0]=4 3988 B13R1.167 CC(=O)OCSCc1ncoc1C 62a_200000693990_100000076356 [0,1,0,0,0,1|2,0,0]=4 3989 B13R1.167 Cc1ccoc1CNCCC(=O)N 207a_100000740010_100000763527 [0,1,0,0,0,1|2,0,0]=4 3990 B13R1.167 Cc1ccoc1COCCC(=O)N 34a_100011273948_100000731001 [0,1,0,0,0,1|1,1,0]=4 3991 B13R1.167 Cc1ccoc1COCCC(=O)N 7a_100011273948_100000744528 [0,1,0,0,0,1|1,1,0]=4 3992 B13R1.342 C=C(C)CCN[C@H](C)c1ccco1 2230a_100160469435_100000730704 [0,1,0,0,0,1|2,0,0]=4 3993 B13R1.342 C=C(C)CCO[C@@H](C)c1ccco1 34a_100000755270_100000730704 [0,1,0,0,0,1|1,1,0]=4 3994 B13R1.342 C=C(C)CCO[C@@H](C)c1ccco1 7a_100000755270_100000730704 [0,1,0,0,0,1|1,1,0]=4 3995 B13R1.342 C=C(C)CNCC(O)c1ccco1 2230a_100000738650_100000748629 [0,1,0,0,0,1|2,0,0]=4 3996 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_100000748629_200011262396 [0,1,0,0,0,1|2,0,0]=4 3997 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000211660 [0,1,0,0,0,1|2,0,0]=4 3998 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000211439_100000211660 [0,1,0,0,0,1|1,0,0]=3 3999 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000748629_100000211439 [0,1,0,0,0,1|1,0,0]=3 4000 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000211436_100000211660 [0,1,0,0,0,1|1,1,0]=4 4001 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000748629_100000211436 [0,1,0,0,0,1|1,1,0]=4 4002 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000042424_100000211439 [0,1,0,0,0,1|1,0,1]=4 4003 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000211439_100000042424 [0,1,0,0,0,1|1,0,1]=4 4004 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)[13CH3] 1458a_100009924236_200025704644 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.342 CC(=CCN[C@H](C)c1ccco1)C 2230a_100160469435_100000761012 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.342 CC(=CCO[C@@H](C)c1ccco1)C 34a_100000755270_100000761012 [0,1,0,0,0,1|1,1,0]=4 4007 B13R1.342 CC(=CCO[C@@H](C)c1ccco1)C 7a_100000755270_100000761012 [0,1,0,0,0,1|1,1,0]=4 4008 B13R1.342 CC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_200000210301 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.342 CC(=O)CCNC(=O)c1ccco1 1458a_100000184273_200000210301 [0,1,0,0,0,1|1,0,1]=4 4010 B13R1.342 CC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000053229 [0,1,0,0,0,1|0,1,0]=3 4011 B13R1.342 CC(=O)CCO[C@H](C)c1cccs1 7a_100000750433_100000053229 [0,1,0,0,0,1|0,2,0]=4 4012 B13R1.342 CC(=O)OCO[C@@H](C)c1ccco1 34a_100000755270_100009813279 [0,1,0,0,0,1|0,1,0]=3 4013 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000210624_100000211439 [0,1,0,0,0,1|1,0,1]=4 4014 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000211439_100000210760 [0,1,0,0,0,1|1,0,1]=4 4015 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100000211439_100011218427 [0,1,0,0,0,1|0,0,2]=4 4016 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100011218427_100000211439 [0,1,0,0,0,1|0,0,2]=4 4017 B13R1.342 C[C@@H](NCCC(=O)N)c1ccco1 2230a_100160469435_100000744528 [0,1,0,0,0,1|2,0,0]=4 4018 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100000211439_100009817552 [0,1,0,0,0,1|0,0,2]=4 4019 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100009817552_100000211439 [0,1,0,0,0,1|0,0,2]=4 4020 B13R1.342 C[C@H](OCCC(=O)N)c1ccco1 34a_100000755270_100000731001 [0,1,0,0,0,1|1,1,0]=4 4021 B13R1.342 C[C@H](OCCC(=O)N)c1ccco1 7a_100000755270_100000744528 [0,1,0,0,0,1|1,1,0]=4 4022 B13R1.342 NC(=O)CNCC(O)c1ccco1 2230a_100000738650_100000747473 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.342 NC(=O)CSCC(=O)c1ccc[nH]1 62a_100000747473_200011262396 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.342 NC(=O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000747473 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747473 [0,1,0,0,0,1|1,0,0]=3 4026 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000747473_100000211439 [0,1,0,0,0,1|1,0,0]=3 4027 B13R1.342 NC(=O)CSCC(=O)c1cccs1 62a_100000211436_100000747473 [0,1,0,0,0,1|1,1,0]=4 4028 B13R1.342 NC(=O)CSCC(=O)c1cccs1 62a_100000747473_100000211436 [0,1,0,0,0,1|1,1,0]=4 4029 B13R1.342 O=C(CSC[N+](=O)[O-])c1ccco1 62a_100000211439_100000761209 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.342 O=C(O)CNCC(=O)c1ccco1 269956a_100016091260_100000211439 [0,1,0,0,0,1|2,0,0]=4 4031 B13R1.342 O=C([O-])CSCC(=O)c1ccc[nH]1 62a_100020667443_200011262396 [0,1,0,0,0,1|2,0,0]=4 4032 B13R1.342 O=C([O-])CSCC(=O)c1ccc[nH]1 62a_200011262396_100020667443 [0,1,0,0,0,1|2,0,0]=4 4033 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100000211439_100020667443 [0,1,0,0,0,1|1,0,0]=3 4034 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100020667443_100000211439 [0,1,0,0,0,1|1,0,0]=3 4035 B13R1.342 O=C([O-])CSCC(=O)c1cccs1 62a_100000211436_100020667443 [0,1,0,0,0,1|1,1,0]=4 4036 B13R1.342 O=C([O-])CSCC(=O)c1cccs1 62a_100020667443_100000211436 [0,1,0,0,0,1|1,1,0]=4 4037 B13R1.342 [13CH3]C(=O)CCNC(=O)c1ccco1 1458a_100000184273_200025704644 [0,1,0,0,0,1|1,0,1]=4 4038 B13R1.344 C=C(C)CCC(=O)Cc1ccco1 1458a_100011217309_100000730704 [0,1,0,0,0,1|2,0,0]=4 4039 B13R1.344 C=C(C)CCN(C)Cc1ccco1 2230a_100000185268_100000730704 [0,1,0,0,0,1|2,0,0]=4 4040 B13R1.344 C=C(C)CCN(C)Cc1ccco1 269982a_100000185268_100000730704 [0,1,0,0,0,1|2,0,0]=4 4041 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 11a_100000765925_100011217309 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 527a_100000765925_100011217309 [0,1,0,0,0,1|2,0,0]=4 4043 B13R1.344 C=C(C)COC(C)Cc1ccco1 34a_100011803939_100000748629 [0,1,0,0,0,1|1,1,0]=4 4044 B13R1.344 C=C(C)COC(C)Cc1ccco1 7a_100011803939_100000748629 [0,1,0,0,0,1|1,1,0]=4 4045 B13R1.344 CC(=CCC(=O)Cc1ccco1)C 1458a_100011217309_100000761012 [0,1,0,0,0,1|2,0,0]=4 4046 B13R1.344 CC(=CCN(C)Cc1ccco1)C 2230a_100000185268_100000761012 [0,1,0,0,0,1|2,0,0]=4 4047 B13R1.344 CC(=CCN(C)Cc1ccco1)C 269982a_100000185268_100000761012 [0,1,0,0,0,1|2,0,0]=4 4048 B13R1.344 CC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000053229 [0,1,0,0,0,1|1,0,0]=3 4049 B13R1.344 CC(=O)CCN(C)Cc1cccs1 269982a_100000184426_100000053229 [0,1,0,0,0,1|1,1,0]=4 4050 B13R1.344 CC(=O)NCC(=O)Cc1ncco1 1458a_100000194580_103436540062 [0,1,0,0,0,1|2,0,0]=4 4051 B13R1.344 CC(=O)NNC(=O)Cc1ccco1 22a_100000189765_100011217309 [0,1,0,0,0,1|2,0,0]=4 4052 B13R1.344 CC(=O)OCC(=O)Cc1ncco1 1458a_100000183556_103436540062 [0,1,0,0,0,1|2,0,0]=4 4053 B13R1.344 CC(=O)OCN(C)Cc1ccco1 269982a_100000185268_100000076356 [0,1,0,0,0,1|1,0,0]=3 4054 B13R1.344 CC(=O)OCN(C)Cc1cccs1 269982a_100000184426_100000076356 [0,1,0,0,0,1|1,1,0]=4 4055 B13R1.344 CC(=O)SCC(=O)Cc1ncco1 1458a_100000049016_103436540062 [0,1,0,0,0,1|2,0,0]=4 4056 B13R1.344 CC(Cc1ccco1)OCC(=O)N 34a_100011803939_100000187820 [0,1,0,0,0,1|1,1,0]=4 4057 B13R1.344 CC(Cc1ccco1)OCC(=O)N 7a_100011803939_100000187820 [0,1,0,0,0,1|1,1,0]=4 4058 B13R1.344 CC(Cc1ccco1)OCC(=O)[O-] 34a_100011803939_100020667443 [0,1,0,0,0,1|1,1,0]=4 4059 B13R1.344 CN(CCC(=O)N)Cc1ccco1 2230a_100000185268_100000744528 [0,1,0,0,0,1|2,0,0]=4 4060 B13R1.344 CN(CCC(=O)N)Cc1ccco1 269982a_100000185268_100000744528 [0,1,0,0,0,1|2,0,0]=4 4061 B13R1.344 CN(CCC(=O)N)Cc1ccco1 270004a_100000730477_100000186105 [0,1,0,0,0,1|2,0,0]=4 4062 B13R1.344 NC(=O)CNC(=O)Cc1ccco1 11a_100000711301_100011217309 [0,1,0,0,0,1|2,0,0]=4 4063 B13R1.344 NC(=O)CNC(=O)Cc1ccco1 527a_100000711301_100011217309 [0,1,0,0,0,1|2,0,0]=4 4064 B13R1.536 CCC(=O)CCCCc1cccs1 1458a_100011216592_100000210202 [0,1,0,0,0,1|1,1,0]=4 4065 B13R1.536 CCC(=O)COCCc1cccs1 34a_100000725409_100000748579 [0,1,0,0,0,1|0,2,0]=4 4066 B13R1.536 CCC(=O)COCCc1cccs1 7a_100011216825_100000747405 [0,1,0,0,0,1|0,2,0]=4 4067 B13R1.536 CCC(=O)CSCCc1c[nH]cn1 62a_100000747405_100020628418 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.536 CCC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747405 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000747405_100000748579 [0,1,0,0,0,1|0,1,0]=3 4070 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000748579_100000747405 [0,1,0,0,0,1|0,1,0]=3 4071 B13R1.536 CCC(=O)CSCCn1cccc1 62a_100000747405_200000035178 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.536 CCC(=O)CSCCn1cccc1 62a_200009811947_100000747405 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.536 CCC(=O)CSCCn1cccn1 62a_100000747405_100000685285 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.536 CCC(=O)CSCCn1cccn1 62a_100015204718_100000747405 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.536 CNC(=O)CCCCc1cccs1 11a_106832991635_100011216592 [0,1,0,0,0,1|1,1,0]=4 4076 B13R1.536 CNC(=O)CCCCc1cccs1 1626a_100102657272_100011216592 [0,1,0,0,0,1|1,1,0]=4 4077 B13R1.536 CNC(=O)CCCCc1cccs1 240690a_100102657272_100011216592 [0,1,0,0,0,1|1,1,0]=4 4078 B13R1.536 CNC(=O)CCCCc1cccs1 527a_100102657272_100011216592 [0,1,0,0,0,1|1,1,0]=4 4079 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100000741757_100009814098 [0,1,0,0,0,1|1,0,0]=3 4080 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100009814098_100000741757 [0,1,0,0,0,1|1,0,0]=3 4081 B13R1.536 CNC(=O)CCCSc1cccs1 62a_100000741757_100011215356 [0,1,0,0,0,1|1,1,0]=4 4082 B13R1.536 CNC(=O)CCCSc1cccs1 62a_100011215356_100000741757 [0,1,0,0,0,1|1,1,0]=4 4083 B13R1.536 CNC(=O)CCCSc1cnco1 62a_100000741757_100020591547 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.536 CNC(=O)CCCSc1cnco1 62a_100020591547_100000741757 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.536 CNC(=O)CCCSc1ncco1 62a_100000741757_100011787736 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.536 CNC(=O)CCCSc1ncco1 62a_100011787736_100000741757 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.536 CNC(=O)CCNCc1ccco1 207a_100000738227_100000186105 [0,1,0,0,0,1|1,0,0]=3 4088 B13R1.536 CNC(=O)CCNCc1ccco1 2230a_100000185738_100000737683 [0,1,0,0,0,1|1,0,0]=3 4089 B13R1.536 CNC(=O)CCNCc1ccco1 270004a_100000738227_100000186105 [0,1,0,0,0,1|1,0,0]=3 4090 B13R1.536 CNC(=O)CCNCc1ccco1 34a_100000185738_100012179268 [0,1,0,0,0,1|1,0,0]=3 4091 B13R1.536 CNC(=O)CCNCc1cccs1 207a_100000738227_100000209959 [0,1,0,0,0,1|1,1,0]=4 4092 B13R1.536 CNC(=O)CCNCc1cccs1 2230a_100000211653_100000737683 [0,1,0,0,0,1|1,1,0]=4 4093 B13R1.536 CNC(=O)CCNCc1cccs1 270004a_100000738227_100000209959 [0,1,0,0,0,1|1,1,0]=4 4094 B13R1.536 CNC(=O)CCNCc1cnco1 270004a_100000738227_100000064291 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.536 CNC(=O)CCNCc1ncco1 2230a_100000738227_103436540062 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.536 CNC(=O)CCNCc1ncco1 2230a_100016994969_100000737683 [0,1,0,0,0,1|2,0,0]=4 4097 B13R1.536 CNC(=O)CCNCc1ncco1 270004a_100000738227_100000064290 [0,1,0,0,0,1|2,0,0]=4 4098 B13R1.536 CNC(=O)CCNCc1ncco1 34a_100000738227_103436540062 [0,1,0,0,0,1|2,0,0]=4 4099 B13R1.536 CNC(=O)CCOCc1ccco1 34a_100000210059_100012179268 [0,1,0,0,0,1|0,1,0]=3 4100 B13R1.536 CNC(=O)CCOCc1cccs1 34a_100000211240_100012179268 [0,1,0,0,0,1|0,2,0]=4 4101 B13R1.536 CNC(=O)CCOCc1ccno1 34a_100000740478_100012179268 [0,1,0,0,0,1|1,1,0]=4 4102 B13R1.536 CNC(=O)CCOCc1ncco1 34a_100000062594_100012179268 [0,1,0,0,0,1|1,1,0]=4 4103 B13R1.536 CNC(=O)CCOCc1ncco1 34a_100000754576_103436540062 [0,1,0,0,0,1|1,1,0]=4 4104 B13R1.536 CNC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000737683 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.536 CNC(=O)CCSCc1c[nH]cn1 62a_100000737683_100000707719 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.536 CNC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000737683 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.536 CNC(=O)CCSCc1ccn[nH]1 62a_100000737683_100000728653 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.536 CNC(=O)CCSCc1ccon1 62a_100000234950_100000737683 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.536 CNC(=O)CCSCc1ccon1 62a_100000737683_100000234950 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.536 CNC(=O)CCSCc1ccsc1 62a_100000737683_100011233845 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.536 CNC(=O)CCSCc1ccsc1 62a_100011261437_100000737683 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.536 CNC(=O)CCSCc1cncs1 62a_100000737683_100015185245 [0,1,0,0,0,1|1,1,0]=4 4113 B13R1.536 CNC(=O)CCSCc1cncs1 62a_100015185245_100000737683 [0,1,0,0,0,1|1,1,0]=4 4114 B13R1.536 CNC(=O)CCSCc1cscn1 62a_100000205941_100000737683 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.536 CNC(=O)CCSCc1cscn1 62a_100000737683_100000205941 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.536 CNC(=O)CCSCc1ncc[nH]1 62a_100000737683_100016991755 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.536 CNC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000737683 [0,1,0,0,0,1|2,0,0]=4 4118 B13R1.536 CNC(=O)CCSCc1ncco1 62a_100000737683_103436540062 [0,1,0,0,0,1|1,0,0]=3 4119 B13R1.536 CNC(=O)CCSCc1ncco1 62a_103436540062_100000737683 [0,1,0,0,0,1|1,0,0]=3 4120 B13R1.536 CNC(=O)CCSCc1nccs1 62a_100000737683_100015184050 [0,1,0,0,0,1|1,1,0]=4 4121 B13R1.536 CNC(=O)CCSCc1nccs1 62a_100015184050_100000737683 [0,1,0,0,0,1|1,1,0]=4 4122 B13R1.536 CNC(=O)CNCCc1ccco1 2230a_100000694680_100000183359 [0,1,0,0,0,1|1,0,0]=3 4123 B13R1.536 CNC(=O)CNCCc1ccco1 34a_100000694680_100000183359 [0,1,0,0,0,1|1,0,0]=3 4124 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000203755_100000183359 [0,1,0,0,0,1|1,1,0]=4 4125 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000693194_100000748579 [0,1,0,0,0,1|1,1,0]=4 4126 B13R1.536 CNC(=O)CNCCc1cccs1 34a_100000203755_100000183359 [0,1,0,0,0,1|1,1,0]=4 4127 B13R1.536 CNC(=O)COCCc1cccs1 34a_100000750040_100000748579 [0,1,0,0,0,1|0,2,0]=4 4128 B13R1.536 CNC(=O)COCCc1cccs1 34a_100011216825_100000183359 [0,1,0,0,0,1|0,2,0]=4 4129 B13R1.536 CNC(=O)COCCc1cccs1 7a_100011216825_100000183359 [0,1,0,0,0,1|0,2,0]=4 4130 B13R1.536 CNC(=O)CSCCc1c[nH]cn1 62a_100000183359_100020628418 [0,1,0,0,0,1|2,0,0]=4 4131 B13R1.536 CNC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000183359 [0,1,0,0,0,1|2,0,0]=4 4132 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000183359_100000748579 [0,1,0,0,0,1|0,1,0]=3 4133 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000748579_100000183359 [0,1,0,0,0,1|0,1,0]=3 4134 B13R1.536 CNC(=O)CSCCn1cccc1 62a_100000183359_200000035178 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.536 CNC(=O)CSCCn1cccc1 62a_200009811947_100000183359 [0,1,0,0,0,1|2,0,0]=4 4136 B13R1.536 CNC(=O)CSCCn1cccn1 62a_100000183359_100000685285 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.536 CNC(=O)CSCCn1cccn1 62a_100015204718_100000183359 [0,1,0,0,0,1|2,0,0]=4 4138 B13R1.536 CNC(=O)OCCSc1ccco1 62a_100009814098_200011997002 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.536 CNC(=O)OCCSc1ccco1 62a_200011997002_100009814098 [0,1,0,0,0,1|2,0,0]=4 4140 B13R1.536 COC(=O)/C=C/CSc1ccco1 62a_100000742655_100009814098 [0,1,0,0,0,1|1,0,1]=4 4141 B13R1.536 COC(=O)/C=C/CSc1ccco1 62a_100009814098_100000742655 [0,1,0,0,0,1|1,0,1]=4 4142 B13R1.536 COC(=O)CCCSc1ccco1 62a_100009814098_100011218270 [0,1,0,0,0,1|1,0,0]=3 4143 B13R1.536 COC(=O)CCCSc1ccco1 62a_100011218270_100009814098 [0,1,0,0,0,1|1,0,0]=3 4144 B13R1.536 COC(=O)CCCSc1cccs1 62a_100011215356_100011218270 [0,1,0,0,0,1|1,1,0]=4 4145 B13R1.536 COC(=O)CCCSc1cccs1 62a_100011218270_100011215356 [0,1,0,0,0,1|1,1,0]=4 4146 B13R1.536 COC(=O)CCCSc1cnco1 62a_100011218270_100020591547 [0,1,0,0,0,1|2,0,0]=4 4147 B13R1.536 COC(=O)CCCSc1cnco1 62a_100020591547_100011218270 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.536 COC(=O)CCCSc1ncco1 62a_100011218270_100011787736 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.536 COC(=O)CCCSc1ncco1 62a_100011787736_100011218270 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.536 COC(=O)CCNCc1ccco1 2230a_100000185738_100000204255 [0,1,0,0,0,1|1,0,0]=3 4151 B13R1.536 COC(=O)CCNCc1ccco1 34a_100000185738_100000742370 [0,1,0,0,0,1|1,0,0]=3 4152 B13R1.536 COC(=O)CCNCc1cccs1 2230a_100000211653_100000204255 [0,1,0,0,0,1|1,1,0]=4 4153 B13R1.536 COC(=O)CCNCc1ncco1 2230a_100016994969_100000204255 [0,1,0,0,0,1|2,0,0]=4 4154 B13R1.536 COC(=O)CCOCc1ccco1 34a_100000210059_100000742370 [0,1,0,0,0,1|0,1,0]=3 4155 B13R1.536 COC(=O)CCOCc1cccs1 34a_100000211240_100000742370 [0,1,0,0,0,1|0,2,0]=4 4156 B13R1.536 COC(=O)CCOCc1ccno1 34a_100000740478_100000742370 [0,1,0,0,0,1|1,1,0]=4 4157 B13R1.536 COC(=O)CCOCc1ncco1 34a_100000062594_100000742370 [0,1,0,0,0,1|1,1,0]=4 4158 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000204255_100000707719 [0,1,0,0,0,1|2,0,0]=4 4159 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000204255 [0,1,0,0,0,1|2,0,0]=4 4160 B13R1.536 COC(=O)CCSCc1ccn[nH]1 62a_100000204255_100000728653 [0,1,0,0,0,1|2,0,0]=4 4161 B13R1.536 COC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000204255 [0,1,0,0,0,1|2,0,0]=4 4162 B13R1.536 COC(=O)CCSCc1ccon1 62a_100000204255_100000234950 [0,1,0,0,0,1|2,0,0]=4 4163 B13R1.536 COC(=O)CCSCc1ccon1 62a_100000234950_100000204255 [0,1,0,0,0,1|2,0,0]=4 4164 B13R1.536 COC(=O)CCSCc1ccsc1 62a_100000204255_100011233845 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.536 COC(=O)CCSCc1ccsc1 62a_100011261437_100000204255 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.536 COC(=O)CCSCc1cncs1 62a_100000204255_100015185245 [0,1,0,0,0,1|1,1,0]=4 4167 B13R1.536 COC(=O)CCSCc1cncs1 62a_100015185245_100000204255 [0,1,0,0,0,1|1,1,0]=4 4168 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000204255_100000205941 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000205941_100000204255 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.536 COC(=O)CCSCc1ncc[nH]1 62a_100000204255_100016991755 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.536 COC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000204255 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.536 COC(=O)CCSCc1ncco1 62a_100000204255_103436540062 [0,1,0,0,0,1|1,0,0]=3 4173 B13R1.536 COC(=O)CCSCc1ncco1 62a_103436540062_100000204255 [0,1,0,0,0,1|1,0,0]=3 4174 B13R1.536 COC(=O)CCSCc1nccs1 62a_100000204255_100015184050 [0,1,0,0,0,1|1,1,0]=4 4175 B13R1.536 COC(=O)CCSCc1nccs1 62a_100015184050_100000204255 [0,1,0,0,0,1|1,1,0]=4 4176 B13R1.536 COC(=O)CNCCc1ccco1 2230a_100000694680_100000747449 [0,1,0,0,0,1|1,0,0]=3 4177 B13R1.536 COC(=O)CNCCc1ccco1 34a_100000694680_100000747449 [0,1,0,0,0,1|1,0,0]=3 4178 B13R1.536 COC(=O)CNCCc1cccs1 2230a_100000203755_100000747449 [0,1,0,0,0,1|1,1,0]=4 4179 B13R1.536 COC(=O)CNCCc1cccs1 34a_100000203755_100000747449 [0,1,0,0,0,1|1,1,0]=4 4180 B13R1.536 COC(=O)COCCc1cccs1 34a_100011216825_100000747449 [0,1,0,0,0,1|0,2,0]=4 4181 B13R1.536 COC(=O)COCCc1cccs1 7a_100011216825_100000747449 [0,1,0,0,0,1|0,2,0]=4 4182 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100000747449_100020628418 [0,1,0,0,0,1|2,0,0]=4 4183 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747449 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.536 COC(=O)CSCCc1cccs1 62a_100000747449_100000748579 [0,1,0,0,0,1|0,1,0]=3 4185 B13R1.536 COC(=O)CSCCc1cccs1 62a_100000748579_100000747449 [0,1,0,0,0,1|0,1,0]=3 4186 B13R1.536 COC(=O)CSCCn1cccc1 62a_100000747449_200000035178 [0,1,0,0,0,1|2,0,0]=4 4187 B13R1.536 COC(=O)CSCCn1cccc1 62a_200009811947_100000747449 [0,1,0,0,0,1|2,0,0]=4 4188 B13R1.536 COC(=O)CSCCn1cccn1 62a_100000747449_100000685285 [0,1,0,0,0,1|2,0,0]=4 4189 B13R1.536 COC(=O)CSCCn1cccn1 62a_100015204718_100000747449 [0,1,0,0,0,1|2,0,0]=4 4190 B13R1.536 COC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000139417 [0,1,0,0,0,1|2,0,0]=4 4191 B13R1.536 COC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000139417 [0,1,0,0,0,1|2,0,0]=4 4192 B13R1.536 COC(=O)OCSCc1ccon1 62a_100000234950_100000139417 [0,1,0,0,0,1|2,0,0]=4 4193 B13R1.536 COC(=O)OCSCc1ccsc1 62a_100011261437_100000139417 [0,1,0,0,0,1|2,0,0]=4 4194 B13R1.536 COC(=O)OCSCc1cncs1 62a_100015185245_100000139417 [0,1,0,0,0,1|1,1,0]=4 4195 B13R1.536 COC(=O)OCSCc1cscn1 62a_100000205941_100000139417 [0,1,0,0,0,1|2,0,0]=4 4196 B13R1.536 COC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000139417 [0,1,0,0,0,1|2,0,0]=4 4197 B13R1.536 COC(=O)OCSCc1ncco1 62a_103436540062_100000139417 [0,1,0,0,0,1|1,0,0]=3 4198 B13R1.536 COC(=O)OCSCc1nccs1 62a_100015184050_100000139417 [0,1,0,0,0,1|1,1,0]=4 4199 B13R1.536 O=C(CF)CCCCc1cccs1 1458a_100011216592_100015361967 [0,1,0,0,0,1|1,1,0]=4 4200 B13R1.593 C=C(C)CC(=O)CCc1ccco1 1458a_100000185103_100000748629 [0,1,0,0,0,1|2,0,0]=4 4201 B13R1.593 CC(=O)CC(=O)NCc1ccco1 1458a_100000070787_100000183421 [0,1,0,0,0,1|1,0,0]=3 4202 B13R1.593 CC(=O)CC(=O)NCc1cccs1 1458a_100000070787_100000182718 [0,1,0,0,0,1|1,1,0]=4 4203 B13R1.593 CC(=O)NC(=O)CSc1ccco1 62a_100009814098_100000183797 [0,1,0,0,0,1|2,0,0]=4 4204 B13R1.593 CC(=O)NC(C)CCc1ccco1 11a_100000199034_100015343762 [0,1,0,0,0,1|1,0,0]=3 4205 B13R1.593 CC(=O)NC(C)CCc1ccco1 1626a_100000199034_100015343762 [0,1,0,0,0,1|1,0,0]=3 4206 B13R1.593 CC(=O)NC(C)CCc1ccco1 527a_100000199034_100103153847 [0,1,0,0,0,1|1,0,0]=3 4207 B13R1.593 CC(=O)OC(C)SCc1c[nH]cn1 62a_100000707719_100009818208 [0,1,0,0,0,1|2,0,0]=4 4208 B13R1.593 CC(=O)OC(C)SCc1c[nH]cn1 62a_100009818208_100000707719 [0,1,0,0,0,1|2,0,0]=4 4209 B13R1.593 CC(=O)OC(C)SCc1ccn[nH]1 62a_100000728653_100009818208 [0,1,0,0,0,1|2,0,0]=4 4210 B13R1.593 CC(=O)OC(C)SCc1ccn[nH]1 62a_100009818208_100000728653 [0,1,0,0,0,1|2,0,0]=4 4211 B13R1.593 CC(=O)OC(C)SCc1ccon1 62a_100000234950_100009818208 [0,1,0,0,0,1|2,0,0]=4 4212 B13R1.593 CC(=O)OC(C)SCc1ccon1 62a_100009818208_100000234950 [0,1,0,0,0,1|2,0,0]=4 4213 B13R1.593 CC(=O)OC(C)SCc1ccsc1 62a_100009818208_100011233845 [0,1,0,0,0,1|2,0,0]=4 4214 B13R1.593 CC(=O)OC(C)SCc1ccsc1 62a_100011261437_100009818208 [0,1,0,0,0,1|2,0,0]=4 4215 B13R1.593 CC(=O)OC(C)SCc1cncs1 62a_100009818208_100015185245 [0,1,0,0,0,1|1,1,0]=4 4216 B13R1.593 CC(=O)OC(C)SCc1cncs1 62a_100015185245_100009818208 [0,1,0,0,0,1|1,1,0]=4 4217 B13R1.593 CC(=O)OC(C)SCc1cscn1 62a_100000205941_100009818208 [0,1,0,0,0,1|2,0,0]=4 4218 B13R1.593 CC(=O)OC(C)SCc1cscn1 62a_100009818208_100000205941 [0,1,0,0,0,1|2,0,0]=4 4219 B13R1.593 CC(=O)OC(C)SCc1ncc[nH]1 62a_100009818208_100016991755 [0,1,0,0,0,1|2,0,0]=4 4220 B13R1.593 CC(=O)OC(C)SCc1ncc[nH]1 62a_100016991755_100009818208 [0,1,0,0,0,1|2,0,0]=4 4221 B13R1.593 CC(=O)OC(C)SCc1ncco1 62a_100009818208_103436540062 [0,1,0,0,0,1|1,0,0]=3 4222 B13R1.593 CC(=O)OC(C)SCc1ncco1 62a_103436540062_100009818208 [0,1,0,0,0,1|1,0,0]=3 4223 B13R1.593 CC(=O)OC(C)SCc1nccs1 62a_100009818208_100015184050 [0,1,0,0,0,1|1,1,0]=4 4224 B13R1.593 CC(=O)OC(C)SCc1nccs1 62a_100015184050_100009818208 [0,1,0,0,0,1|1,1,0]=4 4225 B13R1.593 NC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000187820 [0,1,0,0,0,1|2,0,0]=4 4226 B13R1.593 NC(=O)CC(=O)NCc1ccco1 240690a_100000185738_100134613110 [0,1,0,0,0,1|2,0,0]=4 4227 B13R1.593 NC(=O)CC(=O)NCc1ccco1 527a_100000185738_100134613110 [0,1,0,0,0,1|2,0,0]=4 4228 B13R1.593 O=C([O-])CC(=O)CCc1ccco1 1458a_100000185103_100020667443 [0,1,0,0,0,1|2,0,0]=4 4229 B13R1.1110 C=C(C)C(C)NCCc1ccco1 269862a_100000694680_100011216138 [0,1,0,0,0,1|2,0,0]=4 4230 B13R1.1110 CC(=O)C(=O)CNCc1ccco1 34a_100000185738_100011261029 [0,1,0,0,0,1|1,0,0]=3 4231 B13R1.1110 CC(=O)C(=O)COCc1ccco1 34a_100000210059_100011261029 [0,1,0,0,0,1|0,1,0]=3 4232 B13R1.1110 CC(=O)C(=O)COCc1cccs1 34a_100000211240_100011261029 [0,1,0,0,0,1|0,2,0]=4 4233 B13R1.1110 CC(=O)C(=O)COCc1ccno1 34a_100000740478_100011261029 [0,1,0,0,0,1|1,1,0]=4 4234 B13R1.1110 CC(=O)C(=O)COCc1ncco1 34a_100000062594_100011261029 [0,1,0,0,0,1|1,1,0]=4 4235 B13R1.1110 CC(=O)C(=O)CSCc1c[nH]cn1 62a_100000707719_100011261029 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.1110 CC(=O)C(=O)CSCc1c[nH]cn1 62a_100011261029_100000707719 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.1110 CC(=O)C(=O)CSCc1ccn[nH]1 62a_100000728653_100011261029 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.1110 CC(=O)C(=O)CSCc1ccn[nH]1 62a_100011261029_100000728653 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.1110 CC(=O)C(=O)CSCc1ccon1 62a_100000234950_100011261029 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.1110 CC(=O)C(=O)CSCc1ccon1 62a_100011261029_100000234950 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.1110 CC(=O)C(=O)CSCc1ccsc1 62a_100011261029_100011233845 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.1110 CC(=O)C(=O)CSCc1ccsc1 62a_100011261437_100011261029 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.1110 CC(=O)C(=O)CSCc1cncs1 62a_100011261029_100015185245 [0,1,0,0,0,1|1,1,0]=4 4244 B13R1.1110 CC(=O)C(=O)CSCc1cncs1 62a_100015185245_100011261029 [0,1,0,0,0,1|1,1,0]=4 4245 B13R1.1110 CC(=O)C(=O)CSCc1cscn1 62a_100000205941_100011261029 [0,1,0,0,0,1|2,0,0]=4 4246 B13R1.1110 CC(=O)C(=O)CSCc1cscn1 62a_100011261029_100000205941 [0,1,0,0,0,1|2,0,0]=4 4247 B13R1.1110 CC(=O)C(=O)CSCc1ncc[nH]1 62a_100011261029_100016991755 [0,1,0,0,0,1|2,0,0]=4 4248 B13R1.1110 CC(=O)C(=O)CSCc1ncc[nH]1 62a_100016991755_100011261029 [0,1,0,0,0,1|2,0,0]=4 4249 B13R1.1110 CC(=O)C(=O)CSCc1ncco1 62a_100011261029_103436540062 [0,1,0,0,0,1|1,0,0]=3 4250 B13R1.1110 CC(=O)C(=O)CSCc1ncco1 62a_103436540062_100011261029 [0,1,0,0,0,1|1,0,0]=3 4251 B13R1.1110 CC(=O)C(=O)CSCc1nccs1 62a_100011261029_100015184050 [0,1,0,0,0,1|1,1,0]=4 4252 B13R1.1110 CC(=O)C(=O)CSCc1nccs1 62a_100015184050_100011261029 [0,1,0,0,0,1|1,1,0]=4 4253 B13R1.1110 CC(=O)C(C)COCc1ncco1 34a_100000032740_103436540062 [0,1,0,0,0,1|1,1,0]=4 4254 B13R1.1110 CC(=O)C(C)COCc1ncco1 7a_100000032740_103436540062 [0,1,0,0,0,1|1,1,0]=4 4255 B13R1.1110 CC(=O)C(C)NCCc1ccco1 2230a_100000694680_100009814033 [0,1,0,0,0,1|1,0,0]=3 4256 B13R1.1110 CC(=O)C(C)NCCc1cccs1 2230a_100000203755_100009814033 [0,1,0,0,0,1|1,1,0]=4 4257 B13R1.1110 CC(=O)C(C)OCCc1cccs1 34a_100000212229_100000748579 [0,1,0,0,0,1|0,2,0]=4 4258 B13R1.1110 CC(=O)C(C)OCCc1cccs1 7a_100011216825_100000179758 [0,1,0,0,0,1|0,2,0]=4 4259 B13R1.1110 CC(=O)C(C)SCCc1c[nH]cn1 62a_100009814033_100020628418 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.1110 CC(=O)C(C)SCCc1c[nH]cn1 62a_100020628418_100009814033 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.1110 CC(=O)C(C)SCCc1cccs1 62a_100000748579_100009814033 [0,1,0,0,0,1|0,1,0]=3 4262 B13R1.1110 CC(=O)C(C)SCCc1cccs1 62a_100009814033_100000748579 [0,1,0,0,0,1|0,1,0]=3 4263 B13R1.1110 CC(=O)C(C)SCCn1cccc1 62a_100009814033_200000035178 [0,1,0,0,0,1|2,0,0]=4 4264 B13R1.1110 CC(=O)C(C)SCCn1cccc1 62a_200009811947_100009814033 [0,1,0,0,0,1|2,0,0]=4 4265 B13R1.1110 CC(=O)C(C)SCCn1cccn1 62a_100009814033_100000685285 [0,1,0,0,0,1|2,0,0]=4 4266 B13R1.1110 CC(=O)C(C)SCCn1cccn1 62a_100015204718_100009814033 [0,1,0,0,0,1|2,0,0]=4 4267 B13R1.1110 CC(CSCc1ccco1)N(C)C 270004a_100102631434_200000149978 [0,1,0,0,0,1|2,0,0]=4 4268 B13R1.1110 CC(NCCc1ccco1)C(=O)N 2230a_100000694680_100000702099 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.1110 CC(NCCc1ccco1)C(=O)N 34a_100000694680_100000702099 [0,1,0,0,0,1|2,0,0]=4 4270 B13R1.1110 CC(SCCc1cccs1)C(=O)N 62a_100000702099_100000748579 [0,1,0,0,0,1|1,1,0]=4 4271 B13R1.1110 CC(SCCc1cccs1)C(=O)N 62a_100000748579_100000702099 [0,1,0,0,0,1|1,1,0]=4 4272 B13R1.1110 NC(=O)C(F)NCCc1ccco1 2230a_100000694680_100009813875 [0,1,0,0,0,1|2,0,0]=4 4273 B13R1.1110 NC(=O)C(F)NCCc1ccco1 34a_100000694680_100009813875 [0,1,0,0,0,1|2,0,0]=4 4274 B13R1.1110 NC(=O)C(F)SCCc1cccs1 62a_100000748579_100009813875 [0,1,0,0,0,1|1,1,0]=4 4275 B13R1.1110 NC(=O)C(F)SCCc1cccs1 62a_100009813875_100000748579 [0,1,0,0,0,1|1,1,0]=4 4276 B13R1.1110 O=C([O-])C(F)NCCc1ccco1 34a_100000694680_100020610796 [0,1,0,0,0,1|2,0,0]=4 4277 B13R1.1110 O=C([O-])C(F)SCCc1cccs1 62a_100000748579_100020610796 [0,1,0,0,0,1|1,1,0]=4 4278 B13R1.1110 O=C([O-])C(F)SCCc1cccs1 62a_100020610796_100000748579 [0,1,0,0,0,1|1,1,0]=4 4279 B13R1.2904 CS(=O)(=O)CCCSc1ccco1 62a_100000754308_100009814098 [0,1,0,0,0,1|2,0,0]=4 4280 B13R1.2904 CS(=O)(=O)CCCSc1ccco1 62a_100009814098_100000754308 [0,1,0,0,0,1|2,0,0]=4 4281 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 207a_100000740961_100000186105 [0,1,0,0,0,1|2,0,0]=4 4282 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 2230a_100000185738_100000731031 [0,1,0,0,0,1|2,0,0]=4 4283 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 270004a_100000740961_100000186105 [0,1,0,0,0,1|2,0,0]=4 4284 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 34a_100000185738_100000731031 [0,1,0,0,0,1|2,0,0]=4 4285 B13R1.2904 CS(=O)(=O)CCOCc1ccco1 34a_100000210059_100000731031 [0,1,0,0,0,1|1,1,0]=4 4286 B13R1.2904 CS(=O)(=O)CCSCc1ncco1 62a_100000731031_103436540062 [0,1,0,0,0,1|2,0,0]=4 4287 B13R1.2904 CS(=O)(=O)CCSCc1ncco1 62a_103436540062_100000230027 [0,1,0,0,0,1|2,0,0]=4 4288 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_200000210301 [0,2,0,0,0,0|1,0,1]=4 4289 B13R1.129 [13CH3]C(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_200025704644 [0,2,0,0,0,0|1,0,1]=4 4290 B13R1.162 CCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210202 [0,2,0,0,0,0|1,0,1]=4 4291 B13R1.162 CCC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747405 [0,2,0,0,0,0|0,1,0]=3 4292 B13R1.162 CCC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000747405 [0,2,0,0,0,0|0,2,0]=4 4293 B13R1.162 CCC(=O)NCC(O)c1ccco1 527a_100000738650_100000210414 [0,2,0,0,0,0|2,0,0]=4 4294 B13R1.162 CNC(=O)CNC(=O)c1ccco1 11a_106832991635_200000183647 [0,2,0,0,0,0|1,0,1]=4 4295 B13R1.162 CNC(=O)CNC(=O)c1ccco1 240690a_100102657272_200000183647 [0,2,0,0,0,0|1,0,1]=4 4296 B13R1.162 CNC(=O)CNC(=O)c1ccco1 527a_100102657272_200000183647 [0,2,0,0,0,0|1,0,1]=4 4297 B13R1.162 CNC(=O)CNC(C)c1ccc[nH]1 269862a_100000693194_100000183661 [0,2,0,0,0,0|2,0,0]=4 4298 B13R1.162 CNC(=O)CNC(C)c1cccs1 2230a_100000703493_100000183359 [0,2,0,0,0,0|1,1,0]=4 4299 B13R1.162 CNC(=O)CNC(C)c1cccs1 269862a_100000693194_100000185736 [0,2,0,0,0,0|1,1,0]=4 4300 B13R1.162 CNC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000183359 [0,2,0,0,0,0|1,0,0]=3 4301 B13R1.162 CNC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000183359 [0,2,0,0,0,0|0,1,0]=3 4302 B13R1.162 CNC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000183359 [0,2,0,0,0,0|0,1,0]=3 4303 B13R1.162 CNC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000183359 [0,2,0,0,0,0|0,2,0]=4 4304 B13R1.162 CNC(=O)NCC(O)c1ccco1 2708a_100102657272_100000738650 [0,2,0,0,0,0|2,0,0]=4 4305 B13R1.162 CNC(=O)NCC(O)c1ccco1 273464a_100102657272_100000738650 [0,2,0,0,0,0|2,0,0]=4 4306 B13R1.162 CNC(=O)NCC(O)c1ccco1 512a_106832991638_100000738650 [0,2,0,0,0,0|2,0,0]=4 4307 B13R1.162 COC(=O)CNC(C)c1cccs1 2230a_100000703493_100000747449 [0,2,0,0,0,0|1,1,0]=4 4308 B13R1.162 COC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000747449 [0,2,0,0,0,0|1,0,0]=3 4309 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000747449 [0,2,0,0,0,0|0,1,0]=3 4310 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747449 [0,2,0,0,0,0|0,1,0]=3 4311 B13R1.162 COC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000747449 [0,2,0,0,0,0|0,2,0]=4 4312 B13R1.162 O=C(CF)CNC(=O)c1ccco1 1458a_200000183647_100015361967 [0,2,0,0,0,0|1,0,1]=4 4313 B13R1.162 O=C(CO)NCC(O)c1ccco1 527a_100000738650_100000210174 [0,2,0,0,0,0|2,0,0]=4 4314 B13R1.339 C=C(C)C(C)N[C@H](C)c1ccco1 269862a_100160469435_100011216138 [0,2,0,0,0,0|2,0,0]=4 4315 B13R1.339 CC(=O)C(C)NC(=O)c1ccco1 1458a_100000183254_200000210301 [0,2,0,0,0,0|1,0,1]=4 4316 B13R1.339 CC(=O)C(C)NC(C)c1cccs1 2230a_100000703493_100009814033 [0,2,0,0,0,0|1,1,0]=4 4317 B13R1.339 CC(=O)C(C)N[C@H](C)c1ccco1 2230a_100160469435_100009814033 [0,2,0,0,0,0|1,0,0]=3 4318 B13R1.339 CC(=O)C(C)O[C@@H](C)c1ccco1 7a_100000755270_100000179758 [0,2,0,0,0,0|0,1,0]=3 4319 B13R1.339 CC(=O)C(C)O[C@H](C)c1cccs1 7a_100000750433_100000179758 [0,2,0,0,0,0|0,2,0]=4 4320 B13R1.339 CC(NC(=O)c1ccco1)C(=O)[13CH3] 1458a_100000183254_200025704644 [0,2,0,0,0,0|1,0,1]=4 4321 B13R1.339 CC(N[C@H](C)c1ccco1)C(=O)N 2230a_100160469435_100000702099 [0,2,0,0,0,0|2,0,0]=4 4322 B13R1.339 CC(O[C@@H](C)c1ccco1)C(=O)N 34a_100000755270_100000702099 [0,2,0,0,0,0|1,1,0]=4 4323 B13R1.339 CC(O[C@@H](C)c1ccco1)C(=O)N 7a_100000755270_100000702099 [0,2,0,0,0,0|1,1,0]=4 4324 B13R1.339 C[C@@H](NC(F)C(=O)N)c1ccco1 2230a_100160469435_100009813875 [0,2,0,0,0,0|2,0,0]=4 4325 B13R1.339 C[C@H](OC(F)C(=O)N)c1ccco1 34a_100000755270_100009813875 [0,2,0,0,0,0|1,1,0]=4 4326 B13R1.339 C[C@H](OC(F)C(=O)N)c1ccco1 7a_100000755270_100009813875 [0,2,0,0,0,0|1,1,0]=4 4327 B13R1.339 C[C@H](OC(F)C(=O)[O-])c1ccco1 34a_100000755270_100020610796 [0,2,0,0,0,0|1,1,0]=4 4328 B13R1.340 C=C(C)CN(C)C(C)c1ccco1 2230a_100000232712_100000748629 [0,2,0,0,0,0|2,0,0]=4 4329 B13R1.340 C=C(C)CN(C)C(C)c1ccco1 269982a_100000232712_100000748629 [0,2,0,0,0,0|2,0,0]=4 4330 B13R1.340 CC(=O)CN(C)C(=O)c1ccco1 1458a_100000194967_200000210301 [0,2,0,0,0,0|1,0,1]=4 4331 B13R1.340 CC(c1ccco1)N(C)CC(=O)N 2230a_100000232712_100000747473 [0,2,0,0,0,0|2,0,0]=4 4332 B13R1.340 CC(c1ccco1)N(C)CC(=O)N 269982a_100000232712_100000187820 [0,2,0,0,0,0|2,0,0]=4 4333 B13R1.340 CC(c1ccco1)N(C)CC(=O)[O-] 269982a_100000232712_100020667443 [0,2,0,0,0,0|2,0,0]=4 4334 B13R1.340 CN(CC(=O)[13CH3])C(=O)c1ccco1 1458a_100000194967_200025704644 [0,2,0,0,0,0|1,0,1]=4 4335 B13R1.413 C=C(C)CNC(CC)c1ccco1 2230a_100015202707_100000748629 [0,2,0,0,0,0|2,0,0]=4 4336 B13R1.413 C=C(C)COC(CN)c1ccco1 34a_100000738650_100000748629 [0,2,0,0,0,0|1,1,0]=4 4337 B13R1.413 CCC(NCC(=O)N)c1ccco1 2230a_100015202707_100000747473 [0,2,0,0,0,0|2,0,0]=4 4338 B13R1.413 NCC(OCC(=O)N)c1ccco1 34a_100000738650_100000187820 [0,2,0,0,0,0|1,1,0]=4 4339 B13R1.413 NCC(OCC(=O)[O-])c1ccco1 34a_100000738650_100020667443 [0,2,0,0,0,0|1,1,0]=4 4340 B13R1.60 C=C(C)COCc1ccc(o1)C#N 34a_100000210245_100009822536 [0,2,0,0,0,0|1,1,0]=4 4341 B13R1.60 C=C(C)COCc1ccc(o1)C=O 34a_100000210245_200000079136 [0,2,0,0,0,0|1,1,0]=4 4342 B13R1.60 C=C(C)CSCc1cc(no1)CC 62a_100000748629_100012000519 [0,2,0,0,0,0|2,0,0]=4 4343 B13R1.60 C=C(C)CSCc1cc(no1)CC 62a_100012000519_100000211660 [0,2,0,0,0,0|2,0,0]=4 4344 B13R1.60 C=C(C)CSCc1ccc(o1)C#N 62a_100000748629_100009822536 [0,2,0,0,0,0|1,0,0]=3 4345 B13R1.60 C=C(C)CSCc1ccc(o1)C=O 62a_100000748629_200000079136 [0,2,0,0,0,0|1,0,0]=3 4346 B13R1.60 C=C(C)CSCc1ccc(s1)C#N 62a_100000748629_100010188212 [0,2,0,0,0,0|1,1,0]=4 4347 B13R1.60 C=C(F)CSCc1ccc(o1)C#N 62a_100000042424_100009822536 [0,2,0,0,0,0|1,0,1]=4 4348 B13R1.60 C=C(F)CSCc1ccc(o1)C=O 62a_100000042424_200000079136 [0,2,0,0,0,0|1,0,1]=4 4349 B13R1.60 CC(=O)CCSc1ccc(o1)C#N 62a_100000053229_100000764468 [0,2,0,0,0,0|2,0,0]=4 4350 B13R1.60 CC(=O)CCSc1ccc(o1)C=O 62a_100000053229_100000186757 [0,2,0,0,0,0|2,0,0]=4 4351 B13R1.60 CC(=O)CCSc1ccc(o1)CN 62a_100000053229_100000708654 [0,2,0,0,0,0|2,0,0]=4 4352 B13R1.60 CC(=O)CCSc1ccc(o1)CO 62a_100000053229_100000246276 [0,2,0,0,0,0|2,0,0]=4 4353 B13R1.60 CC(=O)CCSc1ccc(o1)CO 62a_100000246276_100000053229 [0,2,0,0,0,0|2,0,0]=4 4354 B13R1.60 CC(=O)COCc1ccc(o1)C#N 34a_100000211253_100009822536 [0,2,0,0,0,0|0,1,0]=3 4355 B13R1.60 CC(=O)COCc1ccc(o1)C=O 34a_100000211253_200000079136 [0,2,0,0,0,0|0,1,0]=3 4356 B13R1.60 CC(=O)COCc1ccc(s1)C#N 34a_100000211253_100010188212 [0,2,0,0,0,0|0,2,0]=4 4357 B13R1.60 CC(C)CSCc1ccc(o1)C#N 62a_100000210624_100009822536 [0,2,0,0,0,0|1,0,1]=4 4358 B13R1.60 CC(C)CSCc1ccc(o1)C=O 62a_100000210624_200000079136 [0,2,0,0,0,0|1,0,1]=4 4359 B13R1.60 CC(O)CSCc1ccc(o1)C#N 62a_100011218427_100009822536 [0,2,0,0,0,0|0,0,2]=4 4360 B13R1.60 CC(O)CSCc1ccc(o1)C=O 62a_100011218427_200000079136 [0,2,0,0,0,0|0,0,2]=4 4361 B13R1.60 CCc1cc(on1)COCC(=O)C 34a_100000211253_100012000519 [0,2,0,0,0,0|1,1,0]=4 4362 B13R1.60 CCc1cc(on1)CSCC(=O)N 62a_100000747473_100012000519 [0,2,0,0,0,0|2,0,0]=4 4363 B13R1.60 CCc1cc(on1)CSCC(=O)N 62a_100012000519_100000747473 [0,2,0,0,0,0|2,0,0]=4 4364 B13R1.60 CCc1cc(on1)CSCC(=O)[O-] 62a_100012000519_100020667443 [0,2,0,0,0,0|2,0,0]=4 4365 B13R1.60 CCc1cc(on1)CSCC(=O)[O-] 62a_100020667443_100012000519 [0,2,0,0,0,0|2,0,0]=4 4366 B13R1.60 C[C@@H](O)CSCc1ccc(o1)C#N 62a_100009817552_100009822536 [0,2,0,0,0,0|0,0,2]=4 4367 B13R1.60 C[C@@H](O)CSCc1ccc(o1)C=O 62a_100009817552_200000079136 [0,2,0,0,0,0|0,0,2]=4 4368 B13R1.60 N#Cc1ccc(o1)CNCC(=O)N 2230a_100000711301_100009822536 [0,2,0,0,0,0|2,0,0]=4 4369 B13R1.60 N#Cc1ccc(o1)CNCC(=O)O 269956a_100016091260_100009822536 [0,2,0,0,0,0|2,0,0]=4 4370 B13R1.60 N#Cc1ccc(o1)CSCC(=O)N 62a_100000747473_100009822536 [0,2,0,0,0,0|1,0,0]=3 4371 B13R1.60 N#Cc1ccc(o1)CSCC(=O)[O-] 62a_100020667443_100009822536 [0,2,0,0,0,0|1,0,0]=3 4372 B13R1.60 N#Cc1ccc(s1)CSCC(=O)N 62a_100000747473_100010188212 [0,2,0,0,0,0|1,1,0]=4 4373 B13R1.60 N#Cc1ccc(s1)CSCC(=O)[O-] 62a_100020667443_100010188212 [0,2,0,0,0,0|1,1,0]=4 4374 B13R1.60 NC(=O)CNCc1ccc(o1)C=O 2230a_100000711301_200000079136 [0,2,0,0,0,0|2,0,0]=4 4375 B13R1.60 NC(=O)CSCc1ccc(o1)C=O 62a_100000747473_200000079136 [0,2,0,0,0,0|1,0,0]=3 4376 B13R1.60 O=Cc1ccc(o1)CNCC(=O)O 269956a_100016091260_200000079136 [0,2,0,0,0,0|2,0,0]=4 4377 B13R1.60 O=Cc1ccc(o1)CSCC(=O)[O-] 62a_100020667443_200000079136 [0,2,0,0,0,0|1,0,0]=3 4378 B13R1.717 CCC(=O)COCc1cc(cs1)Br 34a_100000725409_100000746031 [0,2,0,0,0,0|0,2,0]=4 4379 B13R1.717 CCC(=O)COCc1cc(cs1)Br 7a_100000238369_100000747405 [0,2,0,0,0,0|0,2,0]=4 4380 B13R1.717 CCC(=O)COCc1cc(cs1)C 7a_200000068372_100000747405 [0,2,0,0,0,0|0,2,0]=4 4381 B13R1.717 CCC(=O)COCc1cc(no1)C 34a_100000725409_100000707947 [0,2,0,0,0,0|1,1,0]=4 4382 B13R1.717 CCC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747405 [0,2,0,0,0,0|0,1,0]=3 4383 B13R1.717 CCC(=O)COCc1ccc(o1)C 7a_100011232665_100000747405 [0,2,0,0,0,0|0,1,0]=3 4384 B13R1.717 CCC(=O)COCc1ccc(s1)Br 34a_100000725409_100000708592 [0,2,0,0,0,0|0,2,0]=4 4385 B13R1.717 CCC(=O)COCc1ccc(s1)Cl 34a_100000725409_100000185097 [0,2,0,0,0,0|0,2,0]=4 4386 B13R1.717 CCC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747405 [0,2,0,0,0,0|2,0,0]=4 4387 B13R1.717 CCC(=O)CSCC1=CC(=O)OC1 62a_100000747405_100000716558 [0,2,0,0,0,0|2,0,0]=4 4388 B13R1.717 CCC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747405 [0,2,0,0,0,0|0,1,0]=3 4389 B13R1.717 CCC(=O)CSCc1cc(cs1)Br 62a_100000747405_100000746031 [0,2,0,0,0,0|0,1,0]=3 4390 B13R1.717 CCC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747405 [0,2,0,0,0,0|1,0,0]=3 4391 B13R1.717 CCC(=O)CSCc1cc(no1)Br 62a_100000747405_100000709089 [0,2,0,0,0,0|1,0,0]=3 4392 B13R1.717 CCC(=O)CSCc1cc(no1)C 62a_100000707947_100000747405 [0,2,0,0,0,0|1,0,0]=3 4393 B13R1.717 CCC(=O)CSCc1cc(no1)C 62a_100000747405_100000707947 [0,2,0,0,0,0|1,0,0]=3 4394 B13R1.717 CCC(=O)CSCc1cc(on1)C 62a_100000199038_100000747405 [0,2,0,0,0,0|2,0,0]=4 4395 B13R1.717 CCC(=O)CSCc1cc(on1)C 62a_100000747405_100000199038 [0,2,0,0,0,0|2,0,0]=4 4396 B13R1.717 CCC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747405 [0,2,0,0,0,0|0,1,0]=3 4397 B13R1.717 CCC(=O)CSCc1ccc(s1)Br 62a_100000747405_100000708592 [0,2,0,0,0,0|0,1,0]=3 4398 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_100000210202 [0,2,0,0,0,0|0,1,0]=3 4399 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747405 [0,2,0,0,0,0|0,1,0]=3 4400 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 62a_100000747405_100000185097 [0,2,0,0,0,0|0,1,0]=3 4401 B13R1.717 CCC(=O)CSCc1ccn(n1)C 62a_100000726502_100000747405 [0,2,0,0,0,0|2,0,0]=4 4402 B13R1.717 CCC(=O)CSCc1ccn(n1)C 62a_100000747405_100000726502 [0,2,0,0,0,0|2,0,0]=4 4403 B13R1.717 CCC(=O)CSCc1cn(cn1)C 62a_100000717665_100000747405 [0,2,0,0,0,0|2,0,0]=4 4404 B13R1.717 CCC(=O)CSCc1cn(cn1)C 62a_100000747405_100000717665 [0,2,0,0,0,0|2,0,0]=4 4405 B13R1.717 CCC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747405 [0,2,0,0,0,0|1,1,0]=4 4406 B13R1.717 CCC(=O)CSCc1cnc(s1)Br 62a_100000747405_100000717027 [0,2,0,0,0,0|1,1,0]=4 4407 B13R1.717 CCC(=O)CSCc1cnc(s1)C 62a_100000747405_100020635045 [0,2,0,0,0,0|1,1,0]=4 4408 B13R1.717 CCC(=O)CSCc1cnc(s1)C 62a_100020635045_100000747405 [0,2,0,0,0,0|1,1,0]=4 4409 B13R1.717 CCC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747405 [0,2,0,0,0,0|1,1,0]=4 4410 B13R1.717 CCC(=O)CSCc1cnc(s1)Cl 62a_100000747405_100000058068 [0,2,0,0,0,0|1,1,0]=4 4411 B13R1.717 CCC(=O)CSCc1csc(n1)C 1458a_100000150240_100000210202 [0,2,0,0,0,0|2,0,0]=4 4412 B13R1.717 CCC(=O)CSCc1csc(n1)C 62a_100000747405_100015186478 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.717 CCC(=O)CSCc1csc(n1)C 62a_100015186478_100000747405 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.717 CCC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000747405 [0,2,0,0,0,0|2,0,0]=4 4415 B13R1.717 CCC(=O)CSCc1csc(n1)Cl 62a_100000747405_100000024076 [0,2,0,0,0,0|2,0,0]=4 4416 B13R1.717 CCC(=O)CSCc1nc(no1)C 62a_100000735555_100000747405 [0,2,0,0,0,0|2,0,0]=4 4417 B13R1.717 CCC(=O)CSCc1nc(no1)C 62a_100000747405_100000735555 [0,2,0,0,0,0|2,0,0]=4 4418 B13R1.717 CCC(=O)CSCc1nnc(o1)C 62a_100000181450_100000747405 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.717 CCC(=O)CSCc1nnc(o1)C 62a_100000747405_100000181450 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.717 CCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000210414 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.717 CCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000210414 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.717 CCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000210414 [0,2,0,0,0,0|2,0,0]=4 4423 B13R1.717 CNC(=O)CNCc1cc(c[nH]1)Br 270004a_100000693194_100000720742 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.717 CNC(=O)CNCc1cc(co1)Br 270004a_100000693194_100000747035 [0,2,0,0,0,0|1,0,0]=3 4425 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 207a_100000693194_100000211722 [0,2,0,0,0,0|1,1,0]=4 4426 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 2230a_100000693194_100000746031 [0,2,0,0,0,0|1,1,0]=4 4427 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000183359 [0,2,0,0,0,0|1,1,0]=4 4428 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 270004a_100000693194_100000211722 [0,2,0,0,0,0|1,1,0]=4 4429 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000183359 [0,2,0,0,0,0|1,1,0]=4 4430 B13R1.717 CNC(=O)CNCc1cc(cs1)C 207a_100000693194_100102525248 [0,2,0,0,0,0|1,1,0]=4 4431 B13R1.717 CNC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000183359 [0,2,0,0,0,0|1,1,0]=4 4432 B13R1.717 CNC(=O)CNCc1cc(cs1)C 270004a_100000693194_100102525248 [0,2,0,0,0,0|1,1,0]=4 4433 B13R1.717 CNC(=O)CNCc1cc(cs1)C 34a_100015204214_100000183359 [0,2,0,0,0,0|1,1,0]=4 4434 B13R1.717 CNC(=O)CNCc1cc(cs1)Cl 207a_100000693194_100000102487 [0,2,0,0,0,0|1,1,0]=4 4435 B13R1.717 CNC(=O)CNCc1cc(cs1)Cl 270004a_100000693194_100000102487 [0,2,0,0,0,0|1,1,0]=4 4436 B13R1.717 CNC(=O)CNCc1cc(cs1)I 207a_100000693194_100010179861 [0,2,0,0,0,0|1,1,0]=4 4437 B13R1.717 CNC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000183359 [0,2,0,0,0,0|2,0,0]=4 4438 B13R1.717 CNC(=O)CNCc1cc(no1)Br 270004a_100000693194_100009819588 [0,2,0,0,0,0|2,0,0]=4 4439 B13R1.717 CNC(=O)CNCc1cc(no1)Br 34a_100015193020_100000183359 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.717 CNC(=O)CNCc1cc(no1)C 207a_100000693194_100011794430 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.717 CNC(=O)CNCc1cc(no1)C 2230a_100000693194_100000707947 [0,2,0,0,0,0|2,0,0]=4 4442 B13R1.717 CNC(=O)CNCc1cc(no1)C 2230a_100000745748_100000183359 [0,2,0,0,0,0|2,0,0]=4 4443 B13R1.717 CNC(=O)CNCc1cc(no1)C 270004a_100000693194_100011794430 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.717 CNC(=O)CNCc1cc(no1)C 34a_100000745748_100000183359 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.717 CNC(=O)CNCc1ccc(o1)Br 207a_100000693194_100000185145 [0,2,0,0,0,0|1,0,0]=3 4446 B13R1.717 CNC(=O)CNCc1ccc(o1)Br 270004a_100000693194_100000185145 [0,2,0,0,0,0|1,0,0]=3 4447 B13R1.717 CNC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000183359 [0,2,0,0,0,0|1,0,0]=3 4448 B13R1.717 CNC(=O)CNCc1ccc(o1)C 207a_100000693194_100000183696 [0,2,0,0,0,0|1,0,0]=3 4449 B13R1.717 CNC(=O)CNCc1ccc(o1)C 270004a_100000693194_100000183696 [0,2,0,0,0,0|1,0,0]=3 4450 B13R1.717 CNC(=O)CNCc1ccc(o1)C 34a_100011194323_100000183359 [0,2,0,0,0,0|1,0,0]=3 4451 B13R1.717 CNC(=O)CNCc1ccc(o1)Cl 207a_100000693194_100000188459 [0,2,0,0,0,0|1,0,0]=3 4452 B13R1.717 CNC(=O)CNCc1ccc(o1)Cl 270004a_100000693194_100000188459 [0,2,0,0,0,0|1,0,0]=3 4453 B13R1.717 CNC(=O)CNCc1ccc(o1)I 207a_100000693194_100000186757 [0,2,0,0,0,0|1,0,0]=3 4454 B13R1.717 CNC(=O)CNCc1ccc(s1)Br 207a_100000693194_100000179771 [0,2,0,0,0,0|1,1,0]=4 4455 B13R1.717 CNC(=O)CNCc1ccc(s1)Br 2230a_100000693194_100000708592 [0,2,0,0,0,0|1,1,0]=4 4456 B13R1.717 CNC(=O)CNCc1ccc(s1)Br 270004a_100000693194_100000179771 [0,2,0,0,0,0|1,1,0]=4 4457 B13R1.717 CNC(=O)CNCc1ccc(s1)C 207a_100000693194_100000211121 [0,2,0,0,0,0|1,1,0]=4 4458 B13R1.717 CNC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000183359 [0,2,0,0,0,0|1,1,0]=4 4459 B13R1.717 CNC(=O)CNCc1ccc(s1)C 270004a_100000693194_100000211121 [0,2,0,0,0,0|1,1,0]=4 4460 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 207a_100000693194_100000242774 [0,2,0,0,0,0|1,1,0]=4 4461 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 2230a_100000693194_100000185097 [0,2,0,0,0,0|1,1,0]=4 4462 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000183359 [0,2,0,0,0,0|1,1,0]=4 4463 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 270004a_100000693194_100000242774 [0,2,0,0,0,0|1,1,0]=4 4464 B13R1.717 CNC(=O)CNCc1cnc(o1)C 207a_100000693194_100000084308 [0,2,0,0,0,0|2,0,0]=4 4465 B13R1.717 CNC(=O)CNCc1cnc(o1)C 270004a_100000693194_100000084308 [0,2,0,0,0,0|2,0,0]=4 4466 B13R1.717 CNC(=O)CNCc1ncc(o1)C 2230a_100138411809_100000183359 [0,2,0,0,0,0|2,0,0]=4 4467 B13R1.717 CNC(=O)CNCc1ncc(o1)C 34a_100138411809_100000183359 [0,2,0,0,0,0|2,0,0]=4 4468 B13R1.717 CNC(=O)COCc1cc(cs1)Br 34a_100000238369_100000183359 [0,2,0,0,0,0|0,2,0]=4 4469 B13R1.717 CNC(=O)COCc1cc(cs1)Br 34a_100000750040_100000746031 [0,2,0,0,0,0|0,2,0]=4 4470 B13R1.717 CNC(=O)COCc1cc(cs1)Br 7a_100000238369_100000183359 [0,2,0,0,0,0|0,2,0]=4 4471 B13R1.717 CNC(=O)COCc1cc(cs1)C 34a_200000068372_100000183359 [0,2,0,0,0,0|0,2,0]=4 4472 B13R1.717 CNC(=O)COCc1cc(cs1)C 7a_200000068372_100000183359 [0,2,0,0,0,0|0,2,0]=4 4473 B13R1.717 CNC(=O)COCc1cc(no1)Br 34a_100009816691_100000183359 [0,2,0,0,0,0|1,1,0]=4 4474 B13R1.717 CNC(=O)COCc1cc(no1)C 34a_100000684692_100000183359 [0,2,0,0,0,0|1,1,0]=4 4475 B13R1.717 CNC(=O)COCc1cc(no1)C 34a_100000750040_100000707947 [0,2,0,0,0,0|1,1,0]=4 4476 B13R1.717 CNC(=O)COCc1ccc(o1)Br 34a_100000246276_100000183359 [0,2,0,0,0,0|0,1,0]=3 4477 B13R1.717 CNC(=O)COCc1ccc(o1)Br 7a_100000246276_100000183359 [0,2,0,0,0,0|0,1,0]=3 4478 B13R1.717 CNC(=O)COCc1ccc(o1)C 34a_100011232665_100000183359 [0,2,0,0,0,0|0,1,0]=3 4479 B13R1.717 CNC(=O)COCc1ccc(o1)C 7a_100011232665_100000183359 [0,2,0,0,0,0|0,1,0]=3 4480 B13R1.717 CNC(=O)COCc1ccc(s1)Br 34a_100000750040_100000708592 [0,2,0,0,0,0|0,2,0]=4 4481 B13R1.717 CNC(=O)COCc1ccc(s1)C 34a_100000238367_100000183359 [0,2,0,0,0,0|0,2,0]=4 4482 B13R1.717 CNC(=O)COCc1ccc(s1)Cl 34a_100000750040_100000185097 [0,2,0,0,0,0|0,2,0]=4 4483 B13R1.717 CNC(=O)CSCC1=CC(=O)OC1 62a_100000183359_100000716558 [0,2,0,0,0,0|2,0,0]=4 4484 B13R1.717 CNC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000183359 [0,2,0,0,0,0|2,0,0]=4 4485 B13R1.717 CNC(=O)CSCc1cc(cs1)Br 62a_100000183359_100000746031 [0,2,0,0,0,0|0,1,0]=3 4486 B13R1.717 CNC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000183359 [0,2,0,0,0,0|0,1,0]=3 4487 B13R1.717 CNC(=O)CSCc1cc(no1)Br 62a_100000183359_100000709089 [0,2,0,0,0,0|1,0,0]=3 4488 B13R1.717 CNC(=O)CSCc1cc(no1)Br 62a_100000709089_100000183359 [0,2,0,0,0,0|1,0,0]=3 4489 B13R1.717 CNC(=O)CSCc1cc(no1)C 62a_100000183359_100000707947 [0,2,0,0,0,0|1,0,0]=3 4490 B13R1.717 CNC(=O)CSCc1cc(no1)C 62a_100000707947_100000183359 [0,2,0,0,0,0|1,0,0]=3 4491 B13R1.717 CNC(=O)CSCc1cc(on1)C 62a_100000183359_100000199038 [0,2,0,0,0,0|2,0,0]=4 4492 B13R1.717 CNC(=O)CSCc1cc(on1)C 62a_100000199038_100000183359 [0,2,0,0,0,0|2,0,0]=4 4493 B13R1.717 CNC(=O)CSCc1ccc(s1)Br 62a_100000183359_100000708592 [0,2,0,0,0,0|0,1,0]=3 4494 B13R1.717 CNC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000183359 [0,2,0,0,0,0|0,1,0]=3 4495 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 11a_106832991635_100000150175 [0,2,0,0,0,0|0,1,0]=3 4496 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 1626a_100102657272_100000150175 [0,2,0,0,0,0|0,1,0]=3 4497 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 240690a_100102657272_100000150175 [0,2,0,0,0,0|0,1,0]=3 4498 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 527a_100102657272_100000150175 [0,2,0,0,0,0|0,1,0]=3 4499 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 62a_100000183359_100000185097 [0,2,0,0,0,0|0,1,0]=3 4500 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000183359 [0,2,0,0,0,0|0,1,0]=3 4501 B13R1.717 CNC(=O)CSCc1ccn(n1)C 62a_100000183359_100000726502 [0,2,0,0,0,0|2,0,0]=4 4502 B13R1.717 CNC(=O)CSCc1ccn(n1)C 62a_100000726502_100000183359 [0,2,0,0,0,0|2,0,0]=4 4503 B13R1.717 CNC(=O)CSCc1cn(cn1)C 62a_100000183359_100000717665 [0,2,0,0,0,0|2,0,0]=4 4504 B13R1.717 CNC(=O)CSCc1cn(cn1)C 62a_100000717665_100000183359 [0,2,0,0,0,0|2,0,0]=4 4505 B13R1.717 CNC(=O)CSCc1cnc(s1)Br 62a_100000183359_100000717027 [0,2,0,0,0,0|1,1,0]=4 4506 B13R1.717 CNC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000183359 [0,2,0,0,0,0|1,1,0]=4 4507 B13R1.717 CNC(=O)CSCc1cnc(s1)C 62a_100000183359_100020635045 [0,2,0,0,0,0|1,1,0]=4 4508 B13R1.717 CNC(=O)CSCc1cnc(s1)C 62a_100020635045_100000183359 [0,2,0,0,0,0|1,1,0]=4 4509 B13R1.717 CNC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000183359 [0,2,0,0,0,0|1,1,0]=4 4510 B13R1.717 CNC(=O)CSCc1cnc(s1)Cl 62a_100000183359_100000058068 [0,2,0,0,0,0|1,1,0]=4 4511 B13R1.717 CNC(=O)CSCc1csc(n1)C 11a_106832991635_100000150240 [0,2,0,0,0,0|2,0,0]=4 4512 B13R1.717 CNC(=O)CSCc1csc(n1)C 1626a_100102657272_100000150240 [0,2,0,0,0,0|2,0,0]=4 4513 B13R1.717 CNC(=O)CSCc1csc(n1)C 240690a_100102657272_100000150240 [0,2,0,0,0,0|2,0,0]=4 4514 B13R1.717 CNC(=O)CSCc1csc(n1)C 527a_100102657272_100000150240 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.717 CNC(=O)CSCc1csc(n1)C 62a_100000183359_100015186478 [0,2,0,0,0,0|2,0,0]=4 4516 B13R1.717 CNC(=O)CSCc1csc(n1)C 62a_100015186478_100000183359 [0,2,0,0,0,0|2,0,0]=4 4517 B13R1.717 CNC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000183359 [0,2,0,0,0,0|2,0,0]=4 4518 B13R1.717 CNC(=O)CSCc1csc(n1)Cl 62a_100000183359_100000024076 [0,2,0,0,0,0|2,0,0]=4 4519 B13R1.717 CNC(=O)CSCc1nc(no1)C 62a_100000183359_100000735555 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.717 CNC(=O)CSCc1nc(no1)C 62a_100000735555_100000183359 [0,2,0,0,0,0|2,0,0]=4 4521 B13R1.717 CNC(=O)CSCc1nnc(o1)C 62a_100000181450_100000183359 [0,2,0,0,0,0|2,0,0]=4 4522 B13R1.717 CNC(=O)CSCc1nnc(o1)C 62a_100000183359_100000181450 [0,2,0,0,0,0|2,0,0]=4 4523 B13R1.717 CNC(=O)NCCc1ccc(o1)C 2708a_100000739271_106832991635 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.717 CNC(=O)NCCc1ccc(o1)C 2708a_100102657272_100000739271 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.717 CNC(=O)NCCc1ccc(o1)C 512a_100000739271_100102657272 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.717 CNC(=O)NCCc1ccc(o1)C 512a_106832991638_100000739271 [0,2,0,0,0,0|2,0,0]=4 4527 B13R1.717 COC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747449 [0,2,0,0,0,0|1,1,0]=4 4528 B13R1.717 COC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000747449 [0,2,0,0,0,0|1,1,0]=4 4529 B13R1.717 COC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000747449 [0,2,0,0,0,0|1,1,0]=4 4530 B13R1.717 COC(=O)CNCc1cc(cs1)C 34a_100015204214_100000747449 [0,2,0,0,0,0|1,1,0]=4 4531 B13R1.717 COC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000747449 [0,2,0,0,0,0|2,0,0]=4 4532 B13R1.717 COC(=O)CNCc1cc(no1)Br 34a_100015193020_100000747449 [0,2,0,0,0,0|2,0,0]=4 4533 B13R1.717 COC(=O)CNCc1cc(no1)C 2230a_100000745748_100000747449 [0,2,0,0,0,0|2,0,0]=4 4534 B13R1.717 COC(=O)CNCc1cc(no1)C 34a_100000745748_100000747449 [0,2,0,0,0,0|2,0,0]=4 4535 B13R1.717 COC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000747449 [0,2,0,0,0,0|1,0,0]=3 4536 B13R1.717 COC(=O)CNCc1ccc(o1)C 34a_100011194323_100000747449 [0,2,0,0,0,0|1,0,0]=3 4537 B13R1.717 COC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000747449 [0,2,0,0,0,0|1,1,0]=4 4538 B13R1.717 COC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747449 [0,2,0,0,0,0|1,1,0]=4 4539 B13R1.717 COC(=O)CNCc1ncc(o1)C 2230a_100138411809_100000747449 [0,2,0,0,0,0|2,0,0]=4 4540 B13R1.717 COC(=O)CNCc1ncc(o1)C 34a_100138411809_100000747449 [0,2,0,0,0,0|2,0,0]=4 4541 B13R1.717 COC(=O)COCc1cc(cs1)Br 34a_100000238369_100000747449 [0,2,0,0,0,0|0,2,0]=4 4542 B13R1.717 COC(=O)COCc1cc(cs1)Br 7a_100000238369_100000747449 [0,2,0,0,0,0|0,2,0]=4 4543 B13R1.717 COC(=O)COCc1cc(cs1)C 34a_200000068372_100000747449 [0,2,0,0,0,0|0,2,0]=4 4544 B13R1.717 COC(=O)COCc1cc(cs1)C 7a_200000068372_100000747449 [0,2,0,0,0,0|0,2,0]=4 4545 B13R1.717 COC(=O)COCc1cc(no1)Br 34a_100009816691_100000747449 [0,2,0,0,0,0|1,1,0]=4 4546 B13R1.717 COC(=O)COCc1cc(no1)C 34a_100000684692_100000747449 [0,2,0,0,0,0|1,1,0]=4 4547 B13R1.717 COC(=O)COCc1ccc(o1)Br 34a_100000246276_100000747449 [0,2,0,0,0,0|0,1,0]=3 4548 B13R1.717 COC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747449 [0,2,0,0,0,0|0,1,0]=3 4549 B13R1.717 COC(=O)COCc1ccc(o1)C 34a_100011232665_100000747449 [0,2,0,0,0,0|0,1,0]=3 4550 B13R1.717 COC(=O)COCc1ccc(o1)C 7a_100011232665_100000747449 [0,2,0,0,0,0|0,1,0]=3 4551 B13R1.717 COC(=O)COCc1ccc(s1)C 34a_100000238367_100000747449 [0,2,0,0,0,0|0,2,0]=4 4552 B13R1.717 COC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747449 [0,2,0,0,0,0|2,0,0]=4 4553 B13R1.717 COC(=O)CSCC1=CC(=O)OC1 62a_100000747449_100000716558 [0,2,0,0,0,0|2,0,0]=4 4554 B13R1.717 COC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747449 [0,2,0,0,0,0|0,1,0]=3 4555 B13R1.717 COC(=O)CSCc1cc(cs1)Br 62a_100000747449_100000746031 [0,2,0,0,0,0|0,1,0]=3 4556 B13R1.717 COC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747449 [0,2,0,0,0,0|1,0,0]=3 4557 B13R1.717 COC(=O)CSCc1cc(no1)Br 62a_100000747449_100000709089 [0,2,0,0,0,0|1,0,0]=3 4558 B13R1.717 COC(=O)CSCc1cc(no1)C 62a_100000707947_100000747449 [0,2,0,0,0,0|1,0,0]=3 4559 B13R1.717 COC(=O)CSCc1cc(no1)C 62a_100000747449_100000707947 [0,2,0,0,0,0|1,0,0]=3 4560 B13R1.717 COC(=O)CSCc1cc(on1)C 62a_100000199038_100000747449 [0,2,0,0,0,0|2,0,0]=4 4561 B13R1.717 COC(=O)CSCc1cc(on1)C 62a_100000747449_100000199038 [0,2,0,0,0,0|2,0,0]=4 4562 B13R1.717 COC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747449 [0,2,0,0,0,0|0,1,0]=3 4563 B13R1.717 COC(=O)CSCc1ccc(s1)Br 62a_100000747449_100000708592 [0,2,0,0,0,0|0,1,0]=3 4564 B13R1.717 COC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747449 [0,2,0,0,0,0|0,1,0]=3 4565 B13R1.717 COC(=O)CSCc1ccc(s1)Cl 62a_100000747449_100000185097 [0,2,0,0,0,0|0,1,0]=3 4566 B13R1.717 COC(=O)CSCc1ccn(n1)C 62a_100000726502_100000747449 [0,2,0,0,0,0|2,0,0]=4 4567 B13R1.717 COC(=O)CSCc1ccn(n1)C 62a_100000747449_100000726502 [0,2,0,0,0,0|2,0,0]=4 4568 B13R1.717 COC(=O)CSCc1cn(cn1)C 62a_100000717665_100000747449 [0,2,0,0,0,0|2,0,0]=4 4569 B13R1.717 COC(=O)CSCc1cn(cn1)C 62a_100000747449_100000717665 [0,2,0,0,0,0|2,0,0]=4 4570 B13R1.717 COC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747449 [0,2,0,0,0,0|1,1,0]=4 4571 B13R1.717 COC(=O)CSCc1cnc(s1)Br 62a_100000747449_100000717027 [0,2,0,0,0,0|1,1,0]=4 4572 B13R1.717 COC(=O)CSCc1cnc(s1)C 62a_100000747449_100020635045 [0,2,0,0,0,0|1,1,0]=4 4573 B13R1.717 COC(=O)CSCc1cnc(s1)C 62a_100020635045_100000747449 [0,2,0,0,0,0|1,1,0]=4 4574 B13R1.717 COC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747449 [0,2,0,0,0,0|1,1,0]=4 4575 B13R1.717 COC(=O)CSCc1cnc(s1)Cl 62a_100000747449_100000058068 [0,2,0,0,0,0|1,1,0]=4 4576 B13R1.717 COC(=O)CSCc1csc(n1)C 62a_100000747449_100015186478 [0,2,0,0,0,0|2,0,0]=4 4577 B13R1.717 COC(=O)CSCc1csc(n1)C 62a_100015186478_100000747449 [0,2,0,0,0,0|2,0,0]=4 4578 B13R1.717 COC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000747449 [0,2,0,0,0,0|2,0,0]=4 4579 B13R1.717 COC(=O)CSCc1csc(n1)Cl 62a_100000747449_100000024076 [0,2,0,0,0,0|2,0,0]=4 4580 B13R1.717 COC(=O)CSCc1nc(no1)C 270196a_100000212224_100000191316 [0,2,0,0,0,0|2,0,0]=4 4581 B13R1.717 COC(=O)CSCc1nc(no1)C 62a_100000735555_100000747449 [0,2,0,0,0,0|2,0,0]=4 4582 B13R1.717 COC(=O)CSCc1nc(no1)C 62a_100000747449_100000735555 [0,2,0,0,0,0|2,0,0]=4 4583 B13R1.717 COC(=O)CSCc1nnc(o1)C 62a_100000181450_100000747449 [0,2,0,0,0,0|2,0,0]=4 4584 B13R1.717 COC(=O)CSCc1nnc(o1)C 62a_100000747449_100000181450 [0,2,0,0,0,0|2,0,0]=4 4585 B13R1.717 Cc1ccc(o1)CCNC(=O)CO 527a_100000739271_100000210174 [0,2,0,0,0,0|2,0,0]=4 4586 B13R1.717 Cc1nc(cs1)CSCC(=O)CF 1458a_100000150240_100015361967 [0,2,0,0,0,0|2,0,0]=4 4587 B13R1.717 O=C(CF)CSCc1ccc(s1)Cl 1458a_100000150175_100015361967 [0,2,0,0,0,0|0,1,0]=3 4588 B13R1.3424 C=C(C)CN(C)Cc1cc(co1)Br 270004a_100000225649_100000747035 [0,2,0,0,0,0|2,0,0]=4 4589 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)Br 2230a_100000207588_100000748629 [0,2,0,0,0,0|2,0,0]=4 4590 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)Br 269982a_100000207588_100000748629 [0,2,0,0,0,0|2,0,0]=4 4591 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)Br 270004a_100000225649_100000185145 [0,2,0,0,0,0|2,0,0]=4 4592 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 2230a_100000184526_100000748629 [0,2,0,0,0,0|2,0,0]=4 4593 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 269982a_100000184526_100000748629 [0,2,0,0,0,0|2,0,0]=4 4594 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 270004a_100000225649_100000183696 [0,2,0,0,0,0|2,0,0]=4 4595 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 34a_100000184526_100000748629 [0,2,0,0,0,0|2,0,0]=4 4596 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)Cl 270004a_100000225649_100000188459 [0,2,0,0,0,0|2,0,0]=4 4597 B13R1.3424 CN(CC(=O)N)Cc1cc(co1)Br 270004a_100000739694_100000747035 [0,2,0,0,0,0|2,0,0]=4 4598 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Br 2230a_100000207588_100000747473 [0,2,0,0,0,0|2,0,0]=4 4599 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Br 269982a_100000207588_100000187820 [0,2,0,0,0,0|2,0,0]=4 4600 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Br 270004a_100000739694_100000185145 [0,2,0,0,0,0|2,0,0]=4 4601 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Cl 270004a_100000739694_100000188459 [0,2,0,0,0,0|2,0,0]=4 4602 B13R1.3424 CN(CC(=O)[O-])Cc1ccc(o1)Br 269982a_100000207588_100020667443 [0,2,0,0,0,0|2,0,0]=4 4603 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 2230a_100000184526_100000747473 [0,2,0,0,0,0|2,0,0]=4 4604 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 269982a_100000184526_100000187820 [0,2,0,0,0,0|2,0,0]=4 4605 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 270004a_100000739694_100000183696 [0,2,0,0,0,0|2,0,0]=4 4606 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 34a_100000184526_100000187820 [0,2,0,0,0,0|2,0,0]=4 4607 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)[O-] 269982a_100000184526_100020667443 [0,2,0,0,0,0|2,0,0]=4 4608 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)[O-] 34a_100000184526_100020667443 [0,2,0,0,0,0|2,0,0]=4 4609 B13R1.3425 C=C(C)C(C)NCc1ccc(o1)Br 269862a_100000708654_100011216138 [0,2,0,0,0,0|2,0,0]=4 4610 B13R1.3425 C=C(C)C(C)NCc1ccc(o1)C 269862a_100011194323_100011216138 [0,2,0,0,0,0|2,0,0]=4 4611 B13R1.3425 CC(=O)C(C)NCc1cc(cs1)Br 2230a_100000741024_100009814033 [0,2,0,0,0,0|1,1,0]=4 4612 B13R1.3425 CC(=O)C(C)NCc1cc(cs1)C 2230a_100015204214_100009814033 [0,2,0,0,0,0|1,1,0]=4 4613 B13R1.3425 CC(=O)C(C)NCc1cc(no1)Br 2230a_100015193020_100009814033 [0,2,0,0,0,0|2,0,0]=4 4614 B13R1.3425 CC(=O)C(C)NCc1cc(no1)C 2230a_100000745748_100009814033 [0,2,0,0,0,0|2,0,0]=4 4615 B13R1.3425 CC(=O)C(C)NCc1ccc(s1)C 2230a_100000238518_100009814033 [0,2,0,0,0,0|1,1,0]=4 4616 B13R1.3425 CC(=O)C(C)NCc1ccc(s1)Cl 2230a_100000737310_100009814033 [0,2,0,0,0,0|1,1,0]=4 4617 B13R1.3425 CC(=O)C(C)NCc1ncc(o1)C 2230a_100138411809_100009814033 [0,2,0,0,0,0|2,0,0]=4 4618 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)Br 34a_100000212229_100000746031 [0,2,0,0,0,0|0,2,0]=4 4619 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)Br 7a_100000238369_100000179758 [0,2,0,0,0,0|0,2,0]=4 4620 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)C 7a_200000068372_100000179758 [0,2,0,0,0,0|0,2,0]=4 4621 B13R1.3425 CC(=O)C(C)OCc1cc(no1)C 34a_100000212229_100000707947 [0,2,0,0,0,0|1,1,0]=4 4622 B13R1.3425 CC(=O)C(C)OCc1ccc(o1)Br 7a_100000246276_100000179758 [0,2,0,0,0,0|0,1,0]=3 4623 B13R1.3425 CC(=O)C(C)OCc1ccc(o1)C 7a_100011232665_100000179758 [0,2,0,0,0,0|0,1,0]=3 4624 B13R1.3425 CC(=O)C(C)OCc1ccc(s1)Br 34a_100000212229_100000708592 [0,2,0,0,0,0|0,2,0]=4 4625 B13R1.3425 CC(=O)C(C)OCc1ccc(s1)Cl 34a_100000212229_100000185097 [0,2,0,0,0,0|0,2,0]=4 4626 B13R1.3425 CC(=O)C(C)SCC1=CC(=O)OC1 62a_100000716558_100009814033 [0,2,0,0,0,0|2,0,0]=4 4627 B13R1.3425 CC(=O)C(C)SCC1=CC(=O)OC1 62a_100009814033_100000716558 [0,2,0,0,0,0|2,0,0]=4 4628 B13R1.3425 CC(=O)C(C)SCc1cc(cs1)Br 62a_100000746031_100009814033 [0,2,0,0,0,0|0,1,0]=3 4629 B13R1.3425 CC(=O)C(C)SCc1cc(cs1)Br 62a_100009814033_100000746031 [0,2,0,0,0,0|0,1,0]=3 4630 B13R1.3425 CC(=O)C(C)SCc1cc(no1)Br 62a_100000709089_100009814033 [0,2,0,0,0,0|1,0,0]=3 4631 B13R1.3425 CC(=O)C(C)SCc1cc(no1)Br 62a_100009814033_100000709089 [0,2,0,0,0,0|1,0,0]=3 4632 B13R1.3425 CC(=O)C(C)SCc1cc(no1)C 62a_100000707947_100009814033 [0,2,0,0,0,0|1,0,0]=3 4633 B13R1.3425 CC(=O)C(C)SCc1cc(no1)C 62a_100009814033_100000707947 [0,2,0,0,0,0|1,0,0]=3 4634 B13R1.3425 CC(=O)C(C)SCc1cc(on1)C 62a_100000199038_100009814033 [0,2,0,0,0,0|2,0,0]=4 4635 B13R1.3425 CC(=O)C(C)SCc1cc(on1)C 62a_100009814033_100000199038 [0,2,0,0,0,0|2,0,0]=4 4636 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Br 62a_100000708592_100009814033 [0,2,0,0,0,0|0,1,0]=3 4637 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Br 62a_100009814033_100000708592 [0,2,0,0,0,0|0,1,0]=3 4638 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Cl 62a_100000185097_100009814033 [0,2,0,0,0,0|0,1,0]=3 4639 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Cl 62a_100009814033_100000185097 [0,2,0,0,0,0|0,1,0]=3 4640 B13R1.3425 CC(=O)C(C)SCc1ccn(n1)C 62a_100000726502_100009814033 [0,2,0,0,0,0|2,0,0]=4 4641 B13R1.3425 CC(=O)C(C)SCc1ccn(n1)C 62a_100009814033_100000726502 [0,2,0,0,0,0|2,0,0]=4 4642 B13R1.3425 CC(=O)C(C)SCc1cn(cn1)C 62a_100000717665_100009814033 [0,2,0,0,0,0|2,0,0]=4 4643 B13R1.3425 CC(=O)C(C)SCc1cn(cn1)C 62a_100009814033_100000717665 [0,2,0,0,0,0|2,0,0]=4 4644 B13R1.3425 CC(=O)C(C)SCc1cnc(s1)Br 62a_100000717027_100009814033 [0,2,0,0,0,0|1,1,0]=4 4645 B13R1.3425 CC(=O)C(C)SCc1cnc(s1)Br 62a_100009814033_100000717027 [0,2,0,0,0,0|1,1,0]=4 4646 B13R1.3425 CC(=O)C(C)SCc1cnc(s1)C 62a_100009814033_100020635045 [0,2,0,0,0,0|1,1,0]=4 4647 B13R1.3425 CC(=O)C(C)SCc1cnc(s1)C 62a_100020635045_100009814033 [0,2,0,0,0,0|1,1,0]=4 4648 B13R1.3425 CC(=O)C(C)SCc1cnc(s1)Cl 62a_100000058068_100009814033 [0,2,0,0,0,0|1,1,0]=4 4649 B13R1.3425 CC(=O)C(C)SCc1cnc(s1)Cl 62a_100009814033_100000058068 [0,2,0,0,0,0|1,1,0]=4 4650 B13R1.3425 CC(=O)C(C)SCc1csc(n1)C 62a_100009814033_100015186478 [0,2,0,0,0,0|2,0,0]=4 4651 B13R1.3425 CC(=O)C(C)SCc1csc(n1)C 62a_100015186478_100009814033 [0,2,0,0,0,0|2,0,0]=4 4652 B13R1.3425 CC(=O)C(C)SCc1csc(n1)Cl 62a_100000024076_100009814033 [0,2,0,0,0,0|2,0,0]=4 4653 B13R1.3425 CC(=O)C(C)SCc1csc(n1)Cl 62a_100009814033_100000024076 [0,2,0,0,0,0|2,0,0]=4 4654 B13R1.3425 CC(=O)C(C)SCc1nc(no1)C 62a_100000735555_100009814033 [0,2,0,0,0,0|2,0,0]=4 4655 B13R1.3425 CC(=O)C(C)SCc1nc(no1)C 62a_100009814033_100000735555 [0,2,0,0,0,0|2,0,0]=4 4656 B13R1.3425 CC(=O)C(C)SCc1nnc(o1)C 62a_100000181450_100009814033 [0,2,0,0,0,0|2,0,0]=4 4657 B13R1.3425 CC(=O)C(C)SCc1nnc(o1)C 62a_100009814033_100000181450 [0,2,0,0,0,0|2,0,0]=4 4658 B13R1.3425 CC(NCc1ccc(o1)Br)C(=O)N 34a_100000708654_100000702099 [0,2,0,0,0,0|2,0,0]=4 4659 B13R1.3425 CC(OCc1ccc(o1)Br)C(=O)N 34a_100000246276_100000702099 [0,2,0,0,0,0|1,1,0]=4 4660 B13R1.3425 CC(OCc1ccc(o1)Br)C(=O)N 7a_100000246276_100000702099 [0,2,0,0,0,0|1,1,0]=4 4661 B13R1.3425 CC(SCc1cc(cs1)Br)C(=O)N 62a_100000702099_100000746031 [0,2,0,0,0,0|1,1,0]=4 4662 B13R1.3425 CC(SCc1cc(cs1)Br)C(=O)N 62a_100000746031_100000702099 [0,2,0,0,0,0|1,1,0]=4 4663 B13R1.3425 CC(SCc1cc(no1)Br)C(=O)N 62a_100000702099_100000709089 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.3425 CC(SCc1cc(no1)Br)C(=O)N 62a_100000709089_100000702099 [0,2,0,0,0,0|2,0,0]=4 4665 B13R1.3425 CC(SCc1ccc(s1)Br)C(=O)N 62a_100000702099_100000708592 [0,2,0,0,0,0|1,1,0]=4 4666 B13R1.3425 CC(SCc1ccc(s1)Br)C(=O)N 62a_100000708592_100000702099 [0,2,0,0,0,0|1,1,0]=4 4667 B13R1.3425 CC(SCc1ccc(s1)Cl)C(=O)N 62a_100000185097_100000702099 [0,2,0,0,0,0|1,1,0]=4 4668 B13R1.3425 CC(SCc1ccc(s1)Cl)C(=O)N 62a_100000702099_100000185097 [0,2,0,0,0,0|1,1,0]=4 4669 B13R1.3425 C[C@@H](NCc1cc(co1)Br)C(=O)N 270004a_100000119354_100000747035 [0,2,0,0,0,0|2,0,0]=4 4670 B13R1.3425 C[C@@H](NCc1ccc(o1)Br)C(=O)N 270004a_100000119354_100000185145 [0,2,0,0,0,0|2,0,0]=4 4671 B13R1.3425 C[C@@H](NCc1ccc(o1)Cl)C(=O)N 270004a_100000119354_100000188459 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.3425 Cc1cc(on1)CSC(C)C(=O)N 62a_100000702099_100000707947 [0,2,0,0,0,0|2,0,0]=4 4673 B13R1.3425 Cc1cc(on1)CSC(C)C(=O)N 62a_100000707947_100000702099 [0,2,0,0,0,0|2,0,0]=4 4674 B13R1.3425 Cc1cc(on1)CSC(F)C(=O)N 62a_100000707947_100009813875 [0,2,0,0,0,0|2,0,0]=4 4675 B13R1.3425 Cc1cc(on1)CSC(F)C(=O)N 62a_100009813875_100000707947 [0,2,0,0,0,0|2,0,0]=4 4676 B13R1.3425 Cc1cc(on1)CSC(F)C(=O)[O-] 62a_100000707947_100020610796 [0,2,0,0,0,0|2,0,0]=4 4677 B13R1.3425 Cc1cc(on1)CSC(F)C(=O)[O-] 62a_100020610796_100000707947 [0,2,0,0,0,0|2,0,0]=4 4678 B13R1.3425 Cc1ccc(o1)CNC(C)C(=O)N 34a_100011194323_100000702099 [0,2,0,0,0,0|2,0,0]=4 4679 B13R1.3425 Cc1ccc(o1)CNC(F)C(=O)N 34a_100011194323_100009813875 [0,2,0,0,0,0|2,0,0]=4 4680 B13R1.3425 Cc1ccc(o1)CNC(F)C(=O)[O-] 34a_100011194323_100020610796 [0,2,0,0,0,0|2,0,0]=4 4681 B13R1.3425 Cc1ccc(o1)CN[C@H](C)C(=O)N 270004a_100000119354_100000183696 [0,2,0,0,0,0|2,0,0]=4 4682 B13R1.3425 Cc1ccc(o1)COC(C)C(=O)N 34a_100011232665_100000702099 [0,2,0,0,0,0|1,1,0]=4 4683 B13R1.3425 Cc1ccc(o1)COC(C)C(=O)N 7a_100011232665_100000702099 [0,2,0,0,0,0|1,1,0]=4 4684 B13R1.3425 Cc1ccc(o1)COC(F)C(=O)N 34a_100011232665_100009813875 [0,2,0,0,0,0|1,1,0]=4 4685 B13R1.3425 Cc1ccc(o1)COC(F)C(=O)N 7a_100011232665_100009813875 [0,2,0,0,0,0|1,1,0]=4 4686 B13R1.3425 Cc1ccc(o1)COC(F)C(=O)[O-] 34a_100011232665_100020610796 [0,2,0,0,0,0|1,1,0]=4 4687 B13R1.3425 NC(=O)C(F)NCc1ccc(o1)Br 34a_100000708654_100009813875 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.3425 NC(=O)C(F)OCc1ccc(o1)Br 34a_100000246276_100009813875 [0,2,0,0,0,0|1,1,0]=4 4689 B13R1.3425 NC(=O)C(F)OCc1ccc(o1)Br 7a_100000246276_100009813875 [0,2,0,0,0,0|1,1,0]=4 4690 B13R1.3425 NC(=O)C(F)SCc1cc(cs1)Br 62a_100000746031_100009813875 [0,2,0,0,0,0|1,1,0]=4 4691 B13R1.3425 NC(=O)C(F)SCc1cc(cs1)Br 62a_100009813875_100000746031 [0,2,0,0,0,0|1,1,0]=4 4692 B13R1.3425 NC(=O)C(F)SCc1cc(no1)Br 62a_100000709089_100009813875 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.3425 NC(=O)C(F)SCc1cc(no1)Br 62a_100009813875_100000709089 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Br 62a_100000708592_100009813875 [0,2,0,0,0,0|1,1,0]=4 4695 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Br 62a_100009813875_100000708592 [0,2,0,0,0,0|1,1,0]=4 4696 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Cl 62a_100000185097_100009813875 [0,2,0,0,0,0|1,1,0]=4 4697 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Cl 62a_100009813875_100000185097 [0,2,0,0,0,0|1,1,0]=4 4698 B13R1.3425 O=C([O-])C(F)NCc1ccc(o1)Br 34a_100000708654_100020610796 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.3425 O=C([O-])C(F)OCc1ccc(o1)Br 34a_100000246276_100020610796 [0,2,0,0,0,0|1,1,0]=4 4700 B13R1.3425 O=C([O-])C(F)SCc1cc(cs1)Br 62a_100000746031_100020610796 [0,2,0,0,0,0|1,1,0]=4 4701 B13R1.3425 O=C([O-])C(F)SCc1cc(cs1)Br 62a_100020610796_100000746031 [0,2,0,0,0,0|1,1,0]=4 4702 B13R1.3425 O=C([O-])C(F)SCc1cc(no1)Br 62a_100000709089_100020610796 [0,2,0,0,0,0|2,0,0]=4 4703 B13R1.3425 O=C([O-])C(F)SCc1cc(no1)Br 62a_100020610796_100000709089 [0,2,0,0,0,0|2,0,0]=4 4704 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Br 62a_100000708592_100020610796 [0,2,0,0,0,0|1,1,0]=4 4705 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Br 62a_100020610796_100000708592 [0,2,0,0,0,0|1,1,0]=4 4706 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Cl 62a_100000185097_100020610796 [0,2,0,0,0,0|1,1,0]=4 4707 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Cl 62a_100020610796_100000185097 [0,2,0,0,0,0|1,1,0]=4 4708 B13R1.3485 C=C(C)CSCc1oc(=O)oc1C 62a_100000748629_100000068490 [0,2,0,0,0,0|2,0,0]=4 4709 B13R1.3485 Cc1oc(=O)oc1CSCC(=O)N 62a_100000747473_100000068490 [0,2,0,0,0,0|2,0,0]=4 4710 B13R1.3485 Cc1oc(=O)oc1CSCC(=O)[O-] 62a_100020667443_100000068490 [0,2,0,0,0,0|2,0,0]=4 4711 B13R1.169 CC(=O)C(C)NCc1sccc1C 2230a_100000238519_100009814033 [0,2,0,0,0,0|1,1,0]=4 4712 B13R1.169 CC(=O)C(C)NCc1sccc1Cl 2230a_100011934584_100009814033 [0,2,0,0,0,0|1,1,0]=4 4713 B13R1.169 CC(=O)C(C)OCc1occc1C 7a_100011273948_100000179758 [0,2,0,0,0,0|0,1,0]=3 4714 B13R1.169 CC(=O)C(C)OCc1ocnc1C 7a_100000717716_100000179758 [0,2,0,0,0,0|1,1,0]=4 4715 B13R1.169 CC(=O)C(C)OCc1sccc1C 7a_100000238368_100000179758 [0,2,0,0,0,0|0,2,0]=4 4716 B13R1.169 CC(=O)C(C)OCc1sccc1Cl 7a_100000722387_100000179758 [0,2,0,0,0,0|0,2,0]=4 4717 B13R1.169 CC(=O)C(C)SCc1ccnn1C 62a_100000691648_100009814033 [0,2,0,0,0,0|2,0,0]=4 4718 B13R1.169 CC(=O)C(C)SCc1ccnn1C 62a_100009814033_100000691648 [0,2,0,0,0,0|2,0,0]=4 4719 B13R1.169 CC(=O)C(C)SCc1ccsc1Br 62a_100009814033_100009814289 [0,2,0,0,0,0|2,0,0]=4 4720 B13R1.169 CC(=O)C(C)SCc1ccsc1Br 62a_100009814289_100009814033 [0,2,0,0,0,0|2,0,0]=4 4721 B13R1.169 CC(=O)C(C)SCc1ccsc1Cl 62a_100009814033_100010167017 [0,2,0,0,0,0|2,0,0]=4 4722 B13R1.169 CC(=O)C(C)SCc1ccsc1Cl 62a_100010167017_100009814033 [0,2,0,0,0,0|2,0,0]=4 4723 B13R1.169 CC(=O)C(C)SCc1nc[nH]c1C 62a_100000751220_100009814033 [0,2,0,0,0,0|2,0,0]=4 4724 B13R1.169 CC(=O)C(C)SCc1nc[nH]c1C 62a_100009814033_100000751220 [0,2,0,0,0,0|2,0,0]=4 4725 B13R1.169 CC(=O)C(C)SCc1nccn1C 62a_100000700302_100009814033 [0,2,0,0,0,0|2,0,0]=4 4726 B13R1.169 CC(=O)C(C)SCc1nccn1C 62a_100009814033_100000700302 [0,2,0,0,0,0|2,0,0]=4 4727 B13R1.169 CC(=O)C(C)SCc1ncoc1C 62a_100009814033_200000693990 [0,2,0,0,0,0|2,0,0]=4 4728 B13R1.169 CC(=O)C(C)SCc1ncoc1C 62a_200000693990_100009814033 [0,2,0,0,0,0|2,0,0]=4 4729 B13R1.169 C[C@@H](NCc1occc1Br)C(=O)N 270004a_100000119354_100000756499 [0,2,0,0,0,0|2,0,0]=4 4730 B13R1.169 Cc1ccoc1CN[C@H](C)C(=O)N 270004a_100000119354_100000763527 [0,2,0,0,0,0|2,0,0]=4 4731 B13R1.169 Cc1ccoc1COC(C)C(=O)N 34a_100011273948_100000702099 [0,2,0,0,0,0|1,1,0]=4 4732 B13R1.169 Cc1ccoc1COC(C)C(=O)N 7a_100011273948_100000702099 [0,2,0,0,0,0|1,1,0]=4 4733 B13R1.169 Cc1ccoc1COC(F)C(=O)N 34a_100011273948_100009813875 [0,2,0,0,0,0|1,1,0]=4 4734 B13R1.169 Cc1ccoc1COC(F)C(=O)N 7a_100011273948_100009813875 [0,2,0,0,0,0|1,1,0]=4 4735 B13R1.169 Cc1ccoc1COC(F)C(=O)[O-] 34a_100011273948_100020610796 [0,2,0,0,0,0|1,1,0]=4 4736 B13R1.282 C=C(C)CN(C)Cc1occc1Br 270004a_100000225649_100000756499 [0,2,0,0,0,0|2,0,0]=4 4737 B13R1.282 C=C(C)CN(C)Cc1occc1C 2230a_100000734364_100000748629 [0,2,0,0,0,0|2,0,0]=4 4738 B13R1.282 C=C(C)CN(C)Cc1occc1C 269982a_100000734364_100000748629 [0,2,0,0,0,0|2,0,0]=4 4739 B13R1.282 C=C(C)CN(C)Cc1occc1C 270004a_100000225649_100000763527 [0,2,0,0,0,0|2,0,0]=4 4740 B13R1.282 CN(CC(=O)N)Cc1occc1Br 270004a_100000739694_100000756499 [0,2,0,0,0,0|2,0,0]=4 4741 B13R1.282 Cc1ccoc1CN(C)CC(=O)N 2230a_100000734364_100000747473 [0,2,0,0,0,0|2,0,0]=4 4742 B13R1.282 Cc1ccoc1CN(C)CC(=O)N 269982a_100000734364_100000187820 [0,2,0,0,0,0|2,0,0]=4 4743 B13R1.282 Cc1ccoc1CN(C)CC(=O)N 270004a_100000739694_100000763527 [0,2,0,0,0,0|2,0,0]=4 4744 B13R1.282 Cc1ccoc1CN(C)CC(=O)[O-] 269982a_100000734364_100020667443 [0,2,0,0,0,0|2,0,0]=4 4745 B13R1.599 CCC(=O)COCc1occc1C 7a_100011273948_100000747405 [0,2,0,0,0,0|0,1,0]=3 4746 B13R1.599 CCC(=O)COCc1ocnc1C 7a_100000717716_100000747405 [0,2,0,0,0,0|1,1,0]=4 4747 B13R1.599 CCC(=O)COCc1sccc1C 7a_100000238368_100000747405 [0,2,0,0,0,0|0,2,0]=4 4748 B13R1.599 CCC(=O)COCc1sccc1Cl 7a_100000722387_100000747405 [0,2,0,0,0,0|0,2,0]=4 4749 B13R1.599 CCC(=O)CSCc1ccnn1C 62a_100000691648_100000747405 [0,2,0,0,0,0|2,0,0]=4 4750 B13R1.599 CCC(=O)CSCc1ccnn1C 62a_100000747405_100000691648 [0,2,0,0,0,0|2,0,0]=4 4751 B13R1.599 CCC(=O)CSCc1ccsc1Br 62a_100000747405_100009814289 [0,2,0,0,0,0|2,0,0]=4 4752 B13R1.599 CCC(=O)CSCc1ccsc1Br 62a_100009814289_100000747405 [0,2,0,0,0,0|2,0,0]=4 4753 B13R1.599 CCC(=O)CSCc1ccsc1Cl 62a_100000747405_100010167017 [0,2,0,0,0,0|2,0,0]=4 4754 B13R1.599 CCC(=O)CSCc1ccsc1Cl 62a_100010167017_100000747405 [0,2,0,0,0,0|2,0,0]=4 4755 B13R1.599 CCC(=O)CSCc1nc[nH]c1C 62a_100000747405_100000751220 [0,2,0,0,0,0|2,0,0]=4 4756 B13R1.599 CCC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000747405 [0,2,0,0,0,0|2,0,0]=4 4757 B13R1.599 CCC(=O)CSCc1nccn1C 62a_100000700302_100000747405 [0,2,0,0,0,0|2,0,0]=4 4758 B13R1.599 CCC(=O)CSCc1nccn1C 62a_100000747405_100000700302 [0,2,0,0,0,0|2,0,0]=4 4759 B13R1.599 CCC(=O)CSCc1ncoc1C 62a_100000747405_200000693990 [0,2,0,0,0,0|2,0,0]=4 4760 B13R1.599 CCC(=O)CSCc1ncoc1C 62a_200000693990_100000747405 [0,2,0,0,0,0|2,0,0]=4 4761 B13R1.599 CNC(=O)CNCc1cccn1C 270004a_100000693194_100000211633 [0,2,0,0,0,0|2,0,0]=4 4762 B13R1.599 CNC(=O)CNCc1cccn1C 34a_100011219357_100000183359 [0,2,0,0,0,0|2,0,0]=4 4763 B13R1.599 CNC(=O)CNCc1occc1Br 270004a_100000693194_100000756499 [0,2,0,0,0,0|1,0,0]=3 4764 B13R1.599 CNC(=O)CNCc1occc1C 207a_100000693194_100000763527 [0,2,0,0,0,0|1,0,0]=3 4765 B13R1.599 CNC(=O)CNCc1occc1C 270004a_100000693194_100000763527 [0,2,0,0,0,0|1,0,0]=3 4766 B13R1.599 CNC(=O)CNCc1sccc1Br 207a_100000693194_100000766043 [0,2,0,0,0,0|1,1,0]=4 4767 B13R1.599 CNC(=O)CNCc1sccc1Br 270004a_100000693194_100000766043 [0,2,0,0,0,0|1,1,0]=4 4768 B13R1.599 CNC(=O)CNCc1sccc1C 207a_100000693194_100000210881 [0,2,0,0,0,0|1,1,0]=4 4769 B13R1.599 CNC(=O)CNCc1sccc1C 2230a_100000238519_100000183359 [0,2,0,0,0,0|1,1,0]=4 4770 B13R1.599 CNC(=O)CNCc1sccc1C 270004a_100000693194_100000210881 [0,2,0,0,0,0|1,1,0]=4 4771 B13R1.599 CNC(=O)CNCc1sccc1C 34a_100000238519_100000183359 [0,2,0,0,0,0|1,1,0]=4 4772 B13R1.599 CNC(=O)CNCc1sccc1Cl 207a_100000693194_100000722334 [0,2,0,0,0,0|1,1,0]=4 4773 B13R1.599 CNC(=O)CNCc1sccc1Cl 2230a_100011934584_100000183359 [0,2,0,0,0,0|1,1,0]=4 4774 B13R1.599 CNC(=O)CNCc1sccc1Cl 270004a_100000693194_100000722334 [0,2,0,0,0,0|1,1,0]=4 4775 B13R1.599 CNC(=O)CNCc1sccc1Cl 34a_100011934584_100000183359 [0,2,0,0,0,0|1,1,0]=4 4776 B13R1.599 CNC(=O)COCc1occc1C 34a_100011273948_100000183359 [0,2,0,0,0,0|0,1,0]=3 4777 B13R1.599 CNC(=O)COCc1occc1C 7a_100011273948_100000183359 [0,2,0,0,0,0|0,1,0]=3 4778 B13R1.599 CNC(=O)COCc1ocnc1C 34a_100000717716_100000183359 [0,2,0,0,0,0|1,1,0]=4 4779 B13R1.599 CNC(=O)COCc1ocnc1C 7a_100000717716_100000183359 [0,2,0,0,0,0|1,1,0]=4 4780 B13R1.599 CNC(=O)COCc1oncc1C 34a_200011065769_100000183359 [0,2,0,0,0,0|1,1,0]=4 4781 B13R1.599 CNC(=O)COCc1sccc1Br 34a_100000702026_100000183359 [0,2,0,0,0,0|0,2,0]=4 4782 B13R1.599 CNC(=O)COCc1sccc1C 34a_100000238368_100000183359 [0,2,0,0,0,0|0,2,0]=4 4783 B13R1.599 CNC(=O)COCc1sccc1C 7a_100000238368_100000183359 [0,2,0,0,0,0|0,2,0]=4 4784 B13R1.599 CNC(=O)COCc1sccc1Cl 34a_100000722387_100000183359 [0,2,0,0,0,0|0,2,0]=4 4785 B13R1.599 CNC(=O)COCc1sccc1Cl 7a_100000722387_100000183359 [0,2,0,0,0,0|0,2,0]=4 4786 B13R1.599 CNC(=O)CSCc1ccnn1C 62a_100000183359_100000691648 [0,2,0,0,0,0|2,0,0]=4 4787 B13R1.599 CNC(=O)CSCc1ccnn1C 62a_100000691648_100000183359 [0,2,0,0,0,0|2,0,0]=4 4788 B13R1.599 CNC(=O)CSCc1ccsc1Br 62a_100000183359_100009814289 [0,2,0,0,0,0|2,0,0]=4 4789 B13R1.599 CNC(=O)CSCc1ccsc1Br 62a_100009814289_100000183359 [0,2,0,0,0,0|2,0,0]=4 4790 B13R1.599 CNC(=O)CSCc1ccsc1Cl 62a_100000183359_100010167017 [0,2,0,0,0,0|2,0,0]=4 4791 B13R1.599 CNC(=O)CSCc1ccsc1Cl 62a_100010167017_100000183359 [0,2,0,0,0,0|2,0,0]=4 4792 B13R1.599 CNC(=O)CSCc1nc[nH]c1C 62a_100000183359_100000751220 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.599 CNC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000183359 [0,2,0,0,0,0|2,0,0]=4 4794 B13R1.599 CNC(=O)CSCc1nccn1C 62a_100000183359_100000700302 [0,2,0,0,0,0|2,0,0]=4 4795 B13R1.599 CNC(=O)CSCc1nccn1C 62a_100000700302_100000183359 [0,2,0,0,0,0|2,0,0]=4 4796 B13R1.599 CNC(=O)CSCc1ncoc1C 62a_100000183359_200000693990 [0,2,0,0,0,0|2,0,0]=4 4797 B13R1.599 CNC(=O)CSCc1ncoc1C 62a_200000693990_100000183359 [0,2,0,0,0,0|2,0,0]=4 4798 B13R1.599 COC(=O)CNCc1cccn1C 34a_100011219357_100000747449 [0,2,0,0,0,0|2,0,0]=4 4799 B13R1.599 COC(=O)CNCc1sccc1C 2230a_100000238519_100000747449 [0,2,0,0,0,0|1,1,0]=4 4800 B13R1.599 COC(=O)CNCc1sccc1C 34a_100000238519_100000747449 [0,2,0,0,0,0|1,1,0]=4 4801 B13R1.599 COC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747449 [0,2,0,0,0,0|1,1,0]=4 4802 B13R1.599 COC(=O)CNCc1sccc1Cl 34a_100011934584_100000747449 [0,2,0,0,0,0|1,1,0]=4 4803 B13R1.599 COC(=O)COCc1occc1C 34a_100011273948_100000747449 [0,2,0,0,0,0|0,1,0]=3 4804 B13R1.599 COC(=O)COCc1occc1C 7a_100011273948_100000747449 [0,2,0,0,0,0|0,1,0]=3 4805 B13R1.599 COC(=O)COCc1ocnc1C 34a_100000717716_100000747449 [0,2,0,0,0,0|1,1,0]=4 4806 B13R1.599 COC(=O)COCc1ocnc1C 7a_100000717716_100000747449 [0,2,0,0,0,0|1,1,0]=4 4807 B13R1.599 COC(=O)COCc1oncc1C 34a_200011065769_100000747449 [0,2,0,0,0,0|1,1,0]=4 4808 B13R1.599 COC(=O)COCc1sccc1Br 34a_100000702026_100000747449 [0,2,0,0,0,0|0,2,0]=4 4809 B13R1.599 COC(=O)COCc1sccc1C 34a_100000238368_100000747449 [0,2,0,0,0,0|0,2,0]=4 4810 B13R1.599 COC(=O)COCc1sccc1C 7a_100000238368_100000747449 [0,2,0,0,0,0|0,2,0]=4 4811 B13R1.599 COC(=O)COCc1sccc1Cl 34a_100000722387_100000747449 [0,2,0,0,0,0|0,2,0]=4 4812 B13R1.599 COC(=O)COCc1sccc1Cl 7a_100000722387_100000747449 [0,2,0,0,0,0|0,2,0]=4 4813 B13R1.599 COC(=O)CSCc1ccnn1C 62a_100000691648_100000747449 [0,2,0,0,0,0|2,0,0]=4 4814 B13R1.599 COC(=O)CSCc1ccnn1C 62a_100000747449_100000691648 [0,2,0,0,0,0|2,0,0]=4 4815 B13R1.599 COC(=O)CSCc1ccsc1Br 62a_100000747449_100009814289 [0,2,0,0,0,0|2,0,0]=4 4816 B13R1.599 COC(=O)CSCc1ccsc1Br 62a_100009814289_100000747449 [0,2,0,0,0,0|2,0,0]=4 4817 B13R1.599 COC(=O)CSCc1ccsc1Cl 62a_100000747449_100010167017 [0,2,0,0,0,0|2,0,0]=4 4818 B13R1.599 COC(=O)CSCc1ccsc1Cl 62a_100010167017_100000747449 [0,2,0,0,0,0|2,0,0]=4 4819 B13R1.599 COC(=O)CSCc1nc[nH]c1C 62a_100000747449_100000751220 [0,2,0,0,0,0|2,0,0]=4 4820 B13R1.599 COC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000747449 [0,2,0,0,0,0|2,0,0]=4 4821 B13R1.599 COC(=O)CSCc1nccn1C 62a_100000700302_100000747449 [0,2,0,0,0,0|2,0,0]=4 4822 B13R1.599 COC(=O)CSCc1nccn1C 62a_100000747449_100000700302 [0,2,0,0,0,0|2,0,0]=4 4823 B13R1.599 COC(=O)CSCc1ncoc1C 62a_100000747449_200000693990 [0,2,0,0,0,0|2,0,0]=4 4824 B13R1.599 COC(=O)CSCc1ncoc1C 62a_200000693990_100000747449 [0,2,0,0,0,0|2,0,0]=4 4825 B13R1.346 CC(=O)C(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000179758 [0,2,0,0,0,0|2,0,0]=4 4826 B13R1.346 CC(=O)C(C)C(=O)Cc1ccco1 1458a_100011217309_100000179758 [0,2,0,0,0,0|1,0,0]=3 4827 B13R1.346 CC(=O)C(C)C(=O)Cc1cccs1 1458a_100000210189_100000179758 [0,2,0,0,0,0|1,1,0]=4 4828 B13R1.346 CC(=O)C(C)N(C)Cc1ccco1 2230a_100000185268_100009814033 [0,2,0,0,0,0|1,0,0]=3 4829 B13R1.346 CC(=O)C(C)N(C)Cc1ccco1 269982a_100000185268_100009814033 [0,2,0,0,0,0|1,0,0]=3 4830 B13R1.346 CC(=O)C(C)N(C)Cc1cccs1 2230a_100000184426_100009814033 [0,2,0,0,0,0|1,1,0]=4 4831 B13R1.346 CC(=O)C(C)N(C)Cc1cccs1 269982a_100000184426_100009814033 [0,2,0,0,0,0|1,1,0]=4 4832 B13R1.346 CC(C(=O)N)C(=O)Cc1ccco1 1458a_100011217309_100000702099 [0,2,0,0,0,0|2,0,0]=4 4833 B13R1.346 CC(C(=O)N)N(C)Cc1ccco1 2230a_100000185268_100000702099 [0,2,0,0,0,0|2,0,0]=4 4834 B13R1.346 CC(C(=O)N)N(C)Cc1ccco1 269982a_100000185268_100000184083 [0,2,0,0,0,0|2,0,0]=4 4835 B13R1.346 CN(Cc1ccco1)C(F)C(=O)N 2230a_100000185268_100009813875 [0,2,0,0,0,0|2,0,0]=4 4836 B13R1.346 CN(Cc1ccco1)C(F)C(=O)N 269982a_100000185268_100009813875 [0,2,0,0,0,0|2,0,0]=4 4837 B13R1.346 NC(=O)C(F)C(=O)Cc1ccco1 1458a_100011217309_100009813875 [0,2,0,0,0,0|2,0,0]=4 4838 B13R1.346 O=C([O-])C(F)C(=O)Cc1ccco1 1458a_100011217309_100020610796 [0,2,0,0,0,0|2,0,0]=4 4839 B13R1.420 C=C(C)CN(CC)Cc1ccco1 2230a_100000739255_100000748629 [0,2,0,0,0,0|2,0,0]=4 4840 B13R1.420 C=C(C)CN(CC)Cc1ccco1 269982a_100000739255_100000748629 [0,2,0,0,0,0|2,0,0]=4 4841 B13R1.420 C=C(C)CN(CC)Cc1ccco1 270004a_100000211296_100000186105 [0,2,0,0,0,0|2,0,0]=4 4842 B13R1.420 CCN(CC(=O)N)Cc1ccco1 2230a_100000739255_100000747473 [0,2,0,0,0,0|2,0,0]=4 4843 B13R1.420 CCN(CC(=O)N)Cc1ccco1 269982a_100000739255_100000187820 [0,2,0,0,0,0|2,0,0]=4 4844 B13R1.420 CCN(CC(=O)[O-])Cc1ccco1 269982a_100000739255_100020667443 [0,2,0,0,0,0|2,0,0]=4 4845 B13R1.545 CCC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747405 [0,2,0,0,0,0|2,0,0]=4 4846 B13R1.545 CCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747405 [0,2,0,0,0,0|1,0,0]=3 4847 B13R1.545 CCC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747405 [0,2,0,0,0,0|1,1,0]=4 4848 B13R1.545 CCC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747405 [0,2,0,0,0,0|1,0,0]=3 4849 B13R1.545 CCC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747405 [0,2,0,0,0,0|1,1,0]=4 4850 B13R1.545 CNC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000183359 [0,2,0,0,0,0|2,0,0]=4 4851 B13R1.545 CNC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000183359 [0,2,0,0,0,0|1,0,0]=3 4852 B13R1.545 CNC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000183359 [0,2,0,0,0,0|1,1,0]=4 4853 B13R1.545 CNC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000183359 [0,2,0,0,0,0|1,0,0]=3 4854 B13R1.545 CNC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000183359 [0,2,0,0,0,0|1,0,0]=3 4855 B13R1.545 CNC(=O)CN(C)Cc1ccco1 270004a_100000189611_100000186105 [0,2,0,0,0,0|1,0,0]=3 4856 B13R1.545 CNC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000183359 [0,2,0,0,0,0|1,1,0]=4 4857 B13R1.545 CNC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000183359 [0,2,0,0,0,0|1,1,0]=4 4858 B13R1.545 CNC(=O)CN(C)Cc1cccs1 270004a_100000189611_100000209959 [0,2,0,0,0,0|1,1,0]=4 4859 B13R1.545 CNC(=O)CN(C)Cc1cnco1 270004a_100000189611_100000064291 [0,2,0,0,0,0|2,0,0]=4 4860 B13R1.545 CNC(=O)CN(C)Cc1ncco1 2230a_100000189611_103436540062 [0,2,0,0,0,0|2,0,0]=4 4861 B13R1.545 CNC(=O)CN(C)Cc1ncco1 270004a_100000189611_100000064290 [0,2,0,0,0,0|2,0,0]=4 4862 B13R1.545 COC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747449 [0,2,0,0,0,0|2,0,0]=4 4863 B13R1.545 COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747449 [0,2,0,0,0,0|1,0,0]=3 4864 B13R1.545 COC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747449 [0,2,0,0,0,0|1,1,0]=4 4865 B13R1.545 COC(=O)CC(=O)Cc1ncco1 1458a_100000211351_103436540062 [0,2,0,0,0,0|2,0,0]=4 4866 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009814098_100009817358 [0,2,0,0,0,0|2,0,0]=4 4867 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009817358_100009814098 [0,2,0,0,0,0|2,0,0]=4 4868 B13R1.545 COC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000747449 [0,2,0,0,0,0|1,0,0]=3 4869 B13R1.545 COC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747449 [0,2,0,0,0,0|1,0,0]=3 4870 B13R1.545 COC(=O)CN(C)Cc1ccco1 270004a_100000198492_100000186105 [0,2,0,0,0,0|1,0,0]=3 4871 B13R1.545 COC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000747449 [0,2,0,0,0,0|1,1,0]=4 4872 B13R1.545 COC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747449 [0,2,0,0,0,0|1,1,0]=4 4873 B13R1.545 COC(=O)CN(C)Cc1cccs1 270004a_100000198492_100000209959 [0,2,0,0,0,0|1,1,0]=4 4874 B13R1.545 COC(=O)CN(C)Cc1cnco1 270004a_100000198492_100000064291 [0,2,0,0,0,0|2,0,0]=4 4875 B13R1.545 COC(=O)CN(C)Cc1ncco1 2230a_100000198492_103436540062 [0,2,0,0,0,0|2,0,0]=4 4876 B13R1.545 COC(=O)CN(C)Cc1ncco1 270004a_100000198492_100000064290 [0,2,0,0,0,0|2,0,0]=4 4877 B13R1.554 CCC(=O)C(C)NCc1ccco1 2230a_100000185738_100000742827 [0,2,0,0,0,0|1,0,0]=3 4878 B13R1.554 CCC(=O)C(C)NCc1cccs1 2230a_100000211653_100000742827 [0,2,0,0,0,0|1,1,0]=4 4879 B13R1.554 CCC(=O)C(C)NCc1ncco1 2230a_100016994969_100000742827 [0,2,0,0,0,0|2,0,0]=4 4880 B13R1.554 CCC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000742827 [0,2,0,0,0,0|2,0,0]=4 4881 B13R1.554 CCC(=O)C(C)SCc1c[nH]cn1 62a_100000742827_100000707719 [0,2,0,0,0,0|2,0,0]=4 4882 B13R1.554 CCC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100000742827 [0,2,0,0,0,0|2,0,0]=4 4883 B13R1.554 CCC(=O)C(C)SCc1ccn[nH]1 62a_100000742827_100000728653 [0,2,0,0,0,0|2,0,0]=4 4884 B13R1.554 CCC(=O)C(C)SCc1ccon1 62a_100000234950_100000742827 [0,2,0,0,0,0|2,0,0]=4 4885 B13R1.554 CCC(=O)C(C)SCc1ccon1 62a_100000742827_100000234950 [0,2,0,0,0,0|2,0,0]=4 4886 B13R1.554 CCC(=O)C(C)SCc1ccsc1 62a_100000742827_100011233845 [0,2,0,0,0,0|2,0,0]=4 4887 B13R1.554 CCC(=O)C(C)SCc1ccsc1 62a_100011261437_100000742827 [0,2,0,0,0,0|2,0,0]=4 4888 B13R1.554 CCC(=O)C(C)SCc1cncs1 62a_100000742827_100015185245 [0,2,0,0,0,0|1,1,0]=4 4889 B13R1.554 CCC(=O)C(C)SCc1cncs1 62a_100015185245_100000742827 [0,2,0,0,0,0|1,1,0]=4 4890 B13R1.554 CCC(=O)C(C)SCc1cscn1 62a_100000205941_100000742827 [0,2,0,0,0,0|2,0,0]=4 4891 B13R1.554 CCC(=O)C(C)SCc1cscn1 62a_100000742827_100000205941 [0,2,0,0,0,0|2,0,0]=4 4892 B13R1.554 CCC(=O)C(C)SCc1ncc[nH]1 62a_100000742827_100016991755 [0,2,0,0,0,0|2,0,0]=4 4893 B13R1.554 CCC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100000742827 [0,2,0,0,0,0|2,0,0]=4 4894 B13R1.554 CCC(=O)C(C)SCc1ncco1 62a_100000742827_103436540062 [0,2,0,0,0,0|1,0,0]=3 4895 B13R1.554 CCC(=O)C(C)SCc1ncco1 62a_103436540062_100000742827 [0,2,0,0,0,0|1,0,0]=3 4896 B13R1.554 CCC(=O)C(C)SCc1nccs1 62a_100000742827_100015184050 [0,2,0,0,0,0|1,1,0]=4 4897 B13R1.554 CCC(=O)C(C)SCc1nccs1 62a_100015184050_100000742827 [0,2,0,0,0,0|1,1,0]=4 4898 B13R1.554 CNC(=O)C(=O)NCc1ccco1 1626a_100000185738_100011218921 [0,2,0,0,0,0|1,0,1]=4 4899 B13R1.554 CNC(=O)C(=O)NCc1ccco1 240690a_100000185738_100011218921 [0,2,0,0,0,0|1,0,1]=4 4900 B13R1.554 CNC(=O)C(=O)NCc1ccco1 527a_100000185738_100011218921 [0,2,0,0,0,0|1,0,1]=4 4901 B13R1.554 CNC(=O)C(C)NCc1ccco1 2230a_100000185738_100000731044 [0,2,0,0,0,0|1,0,0]=3 4902 B13R1.554 CNC(=O)C(C)NCc1ccco1 34a_100000185738_100000731044 [0,2,0,0,0,0|1,0,0]=3 4903 B13R1.554 CNC(=O)C(C)NCc1cccs1 2230a_100000211653_100000731044 [0,2,0,0,0,0|1,1,0]=4 4904 B13R1.554 CNC(=O)C(C)NCc1ncco1 2230a_100016994969_100000731044 [0,2,0,0,0,0|2,0,0]=4 4905 B13R1.554 CNC(=O)C(C)OCc1ccco1 34a_100000210059_100000731044 [0,2,0,0,0,0|0,1,0]=3 4906 B13R1.554 CNC(=O)C(C)OCc1cccs1 34a_100000211240_100000731044 [0,2,0,0,0,0|0,2,0]=4 4907 B13R1.554 CNC(=O)C(C)OCc1ccno1 34a_100000740478_100000731044 [0,2,0,0,0,0|1,1,0]=4 4908 B13R1.554 CNC(=O)C(C)OCc1ncco1 34a_100000062594_100000731044 [0,2,0,0,0,0|1,1,0]=4 4909 B13R1.554 CNC(=O)C(C)SCc1c[nH]cn1 62a_100000209862_100000707719 [0,2,0,0,0,0|2,0,0]=4 4910 B13R1.554 CNC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000731044 [0,2,0,0,0,0|2,0,0]=4 4911 B13R1.554 CNC(=O)C(C)SCc1ccn[nH]1 62a_100000209862_100000728653 [0,2,0,0,0,0|2,0,0]=4 4912 B13R1.554 CNC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100000731044 [0,2,0,0,0,0|2,0,0]=4 4913 B13R1.554 CNC(=O)C(C)SCc1ccon1 62a_100000209862_100000234950 [0,2,0,0,0,0|2,0,0]=4 4914 B13R1.554 CNC(=O)C(C)SCc1ccon1 62a_100000234950_100000731044 [0,2,0,0,0,0|2,0,0]=4 4915 B13R1.554 CNC(=O)C(C)SCc1ccsc1 62a_100000209862_100011233845 [0,2,0,0,0,0|2,0,0]=4 4916 B13R1.554 CNC(=O)C(C)SCc1ccsc1 62a_100011261437_100000731044 [0,2,0,0,0,0|2,0,0]=4 4917 B13R1.554 CNC(=O)C(C)SCc1cncs1 62a_100000209862_100015185245 [0,2,0,0,0,0|1,1,0]=4 4918 B13R1.554 CNC(=O)C(C)SCc1cncs1 62a_100015185245_100000731044 [0,2,0,0,0,0|1,1,0]=4 4919 B13R1.554 CNC(=O)C(C)SCc1cscn1 62a_100000205941_100000731044 [0,2,0,0,0,0|2,0,0]=4 4920 B13R1.554 CNC(=O)C(C)SCc1cscn1 62a_100000209862_100000205941 [0,2,0,0,0,0|2,0,0]=4 4921 B13R1.554 CNC(=O)C(C)SCc1ncc[nH]1 62a_100000209862_100016991755 [0,2,0,0,0,0|2,0,0]=4 4922 B13R1.554 CNC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100000731044 [0,2,0,0,0,0|2,0,0]=4 4923 B13R1.554 CNC(=O)C(C)SCc1ncco1 62a_100000209862_103436540062 [0,2,0,0,0,0|1,0,0]=3 4924 B13R1.554 CNC(=O)C(C)SCc1ncco1 62a_103436540062_100000731044 [0,2,0,0,0,0|1,0,0]=3 4925 B13R1.554 CNC(=O)C(C)SCc1nccs1 62a_100000209862_100015184050 [0,2,0,0,0,0|1,1,0]=4 4926 B13R1.554 CNC(=O)C(C)SCc1nccs1 62a_100015184050_100000731044 [0,2,0,0,0,0|1,1,0]=4 4927 B13R1.554 CNC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813575 [0,2,0,0,0,0|1,0,0]=3 4928 B13R1.554 CNC(=O)C(F)NCc1ccco1 34a_100000185738_100009813575 [0,2,0,0,0,0|1,0,0]=3 4929 B13R1.554 CNC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813575 [0,2,0,0,0,0|1,1,0]=4 4930 B13R1.554 CNC(=O)C(F)NCc1ncco1 2230a_100016994969_100009813575 [0,2,0,0,0,0|2,0,0]=4 4931 B13R1.554 CNC(=O)C(F)OCc1ccco1 34a_100000210059_100009813575 [0,2,0,0,0,0|0,1,0]=3 4932 B13R1.554 CNC(=O)C(F)OCc1cccs1 34a_100000211240_100009813575 [0,2,0,0,0,0|0,2,0]=4 4933 B13R1.554 CNC(=O)C(F)OCc1ccno1 34a_100000740478_100009813575 [0,2,0,0,0,0|1,1,0]=4 4934 B13R1.554 CNC(=O)C(F)OCc1ncco1 34a_100000062594_100009813575 [0,2,0,0,0,0|1,1,0]=4 4935 B13R1.554 CNC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100009813575 [0,2,0,0,0,0|2,0,0]=4 4936 B13R1.554 CNC(=O)C(F)SCc1c[nH]cn1 62a_100009813575_100000707719 [0,2,0,0,0,0|2,0,0]=4 4937 B13R1.554 CNC(=O)C(F)SCc1ccn[nH]1 62a_100000728653_100009813575 [0,2,0,0,0,0|2,0,0]=4 4938 B13R1.554 CNC(=O)C(F)SCc1ccn[nH]1 62a_100009813575_100000728653 [0,2,0,0,0,0|2,0,0]=4 4939 B13R1.554 CNC(=O)C(F)SCc1ccon1 62a_100000234950_100009813575 [0,2,0,0,0,0|2,0,0]=4 4940 B13R1.554 CNC(=O)C(F)SCc1ccon1 62a_100009813575_100000234950 [0,2,0,0,0,0|2,0,0]=4 4941 B13R1.554 CNC(=O)C(F)SCc1ccsc1 62a_100009813575_100011233845 [0,2,0,0,0,0|2,0,0]=4 4942 B13R1.554 CNC(=O)C(F)SCc1ccsc1 62a_100011261437_100009813575 [0,2,0,0,0,0|2,0,0]=4 4943 B13R1.554 CNC(=O)C(F)SCc1cncs1 62a_100009813575_100015185245 [0,2,0,0,0,0|1,1,0]=4 4944 B13R1.554 CNC(=O)C(F)SCc1cncs1 62a_100015185245_100009813575 [0,2,0,0,0,0|1,1,0]=4 4945 B13R1.554 CNC(=O)C(F)SCc1cscn1 62a_100000205941_100009813575 [0,2,0,0,0,0|2,0,0]=4 4946 B13R1.554 CNC(=O)C(F)SCc1cscn1 62a_100009813575_100000205941 [0,2,0,0,0,0|2,0,0]=4 4947 B13R1.554 CNC(=O)C(F)SCc1ncc[nH]1 62a_100009813575_100016991755 [0,2,0,0,0,0|2,0,0]=4 4948 B13R1.554 CNC(=O)C(F)SCc1ncc[nH]1 62a_100016991755_100009813575 [0,2,0,0,0,0|2,0,0]=4 4949 B13R1.554 CNC(=O)C(F)SCc1ncco1 62a_100009813575_103436540062 [0,2,0,0,0,0|1,0,0]=3 4950 B13R1.554 CNC(=O)C(F)SCc1ncco1 62a_103436540062_100009813575 [0,2,0,0,0,0|1,0,0]=3 4951 B13R1.554 CNC(=O)C(F)SCc1nccs1 62a_100009813575_100015184050 [0,2,0,0,0,0|1,1,0]=4 4952 B13R1.554 CNC(=O)C(F)SCc1nccs1 62a_100015184050_100009813575 [0,2,0,0,0,0|1,1,0]=4 4953 B13R1.554 CNC(=O)[C@@H](C)NCc1ncco1 2230a_100000684985_103436540062 [0,2,0,0,0,0|2,0,0]=4 4954 B13R1.554 CNC(=O)[C@@H](C)NCc1ncco1 34a_100000684985_103436540062 [0,2,0,0,0,0|2,0,0]=4 4955 B13R1.554 COC(=O)C(=O)NCc1ccco1 11a_100000185738_100000024059 [0,2,0,0,0,0|1,0,1]=4 4956 B13R1.554 COC(=O)C(=O)NCc1ccco1 1626a_100000185738_100000024059 [0,2,0,0,0,0|1,0,1]=4 4957 B13R1.554 COC(=O)C(=O)NCc1ccco1 240690a_100000185738_100000024059 [0,2,0,0,0,0|1,0,1]=4 4958 B13R1.554 COC(=O)C(=O)NCc1ccco1 527a_100000185738_100000024059 [0,2,0,0,0,0|1,0,1]=4 4959 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100000698445_100009814098 [0,2,0,0,0,0|2,0,0]=4 4960 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100009814098_100000698445 [0,2,0,0,0,0|2,0,0]=4 4961 B13R1.554 COC(=O)C(C)NCc1ccco1 2230a_100000185738_100000211248 [0,2,0,0,0,0|1,0,0]=3 4962 B13R1.554 COC(=O)C(C)NCc1ccco1 34a_100000185738_100000211248 [0,2,0,0,0,0|1,0,0]=3 4963 B13R1.554 COC(=O)C(C)NCc1cccs1 2230a_100000211653_100000211248 [0,2,0,0,0,0|1,1,0]=4 4964 B13R1.554 COC(=O)C(C)NCc1ncco1 2230a_100016994969_100000211248 [0,2,0,0,0,0|2,0,0]=4 4965 B13R1.554 COC(=O)C(C)OCc1ccco1 34a_100000210059_100000211248 [0,2,0,0,0,0|0,1,0]=3 4966 B13R1.554 COC(=O)C(C)OCc1cccs1 34a_100000211240_100000211248 [0,2,0,0,0,0|0,2,0]=4 4967 B13R1.554 COC(=O)C(C)OCc1ccno1 34a_100000740478_100000211248 [0,2,0,0,0,0|1,1,0]=4 4968 B13R1.554 COC(=O)C(C)OCc1ncco1 34a_100000062594_100000211248 [0,2,0,0,0,0|1,1,0]=4 4969 B13R1.554 COC(=O)C(C)OCc1ncco1 34a_100011215400_103436540062 [0,2,0,0,0,0|1,1,0]=4 4970 B13R1.554 COC(=O)C(C)SCc1c[nH]cn1 62a_100000211248_100000707719 [0,2,0,0,0,0|2,0,0]=4 4971 B13R1.554 COC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000211248 [0,2,0,0,0,0|2,0,0]=4 4972 B13R1.554 COC(=O)C(C)SCc1ccn[nH]1 62a_100000211248_100000728653 [0,2,0,0,0,0|2,0,0]=4 4973 B13R1.554 COC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100000211248 [0,2,0,0,0,0|2,0,0]=4 4974 B13R1.554 COC(=O)C(C)SCc1ccon1 62a_100000211248_100000234950 [0,2,0,0,0,0|2,0,0]=4 4975 B13R1.554 COC(=O)C(C)SCc1ccon1 62a_100000234950_100000211248 [0,2,0,0,0,0|2,0,0]=4 4976 B13R1.554 COC(=O)C(C)SCc1ccsc1 62a_100000211248_100011233845 [0,2,0,0,0,0|2,0,0]=4 4977 B13R1.554 COC(=O)C(C)SCc1ccsc1 62a_100011261437_100000211248 [0,2,0,0,0,0|2,0,0]=4 4978 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100000211248_100015185245 [0,2,0,0,0,0|1,1,0]=4 4979 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100015185245_100000211248 [0,2,0,0,0,0|1,1,0]=4 4980 B13R1.554 COC(=O)C(C)SCc1cscn1 62a_100000205941_100000211248 [0,2,0,0,0,0|2,0,0]=4 4981 B13R1.554 COC(=O)C(C)SCc1cscn1 62a_100000211248_100000205941 [0,2,0,0,0,0|2,0,0]=4 4982 B13R1.554 COC(=O)C(C)SCc1ncc[nH]1 62a_100000211248_100016991755 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.554 COC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100000211248 [0,2,0,0,0,0|2,0,0]=4 4984 B13R1.554 COC(=O)C(C)SCc1ncco1 62a_100000211248_103436540062 [0,2,0,0,0,0|1,0,0]=3 4985 B13R1.554 COC(=O)C(C)SCc1ncco1 62a_103436540062_100000211248 [0,2,0,0,0,0|1,0,0]=3 4986 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100000211248_100015184050 [0,2,0,0,0,0|1,1,0]=4 4987 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100015184050_100000211248 [0,2,0,0,0,0|1,1,0]=4 4988 B13R1.1074 CC(=O)C(C)(C)OCc1ncco1 34a_100000747739_103436540062 [0,2,0,0,0,0|1,1,0]=4 4989 B13R1.1074 CC(=O)C(C)(C)OCc1ncco1 7a_100000747739_103436540062 [0,2,0,0,0,0|1,1,0]=4 4990 B13R1.1074 CC(=O)C(C)(C)SCc1c[nH]cn1 62a_100000075568_100000707719 [0,2,0,0,0,0|2,0,0]=4 4991 B13R1.1074 CC(=O)C(C)(C)SCc1c[nH]cn1 62a_100000707719_100000075568 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.1074 CC(=O)C(C)(C)SCc1ccn[nH]1 62a_100000075568_100000728653 [0,2,0,0,0,0|2,0,0]=4 4993 B13R1.1074 CC(=O)C(C)(C)SCc1ccn[nH]1 62a_100000728653_100000075568 [0,2,0,0,0,0|2,0,0]=4 4994 B13R1.1074 CC(=O)C(C)(C)SCc1ccon1 62a_100000075568_100000234950 [0,2,0,0,0,0|2,0,0]=4 4995 B13R1.1074 CC(=O)C(C)(C)SCc1ccon1 62a_100000234950_100000075568 [0,2,0,0,0,0|2,0,0]=4 4996 B13R1.1074 CC(=O)C(C)(C)SCc1ccsc1 62a_100000075568_100011233845 [0,2,0,0,0,0|2,0,0]=4 4997 B13R1.1074 CC(=O)C(C)(C)SCc1ccsc1 62a_100011261437_100000075568 [0,2,0,0,0,0|2,0,0]=4 4998 B13R1.1074 CC(=O)C(C)(C)SCc1cncs1 62a_100000075568_100015185245 [0,2,0,0,0,0|1,1,0]=4 4999 B13R1.1074 CC(=O)C(C)(C)SCc1cncs1 62a_100015185245_100000075568 [0,2,0,0,0,0|1,1,0]=4 5000 B13R1.1074 CC(=O)C(C)(C)SCc1cscn1 62a_100000075568_100000205941 [0,2,0,0,0,0|2,0,0]=4 5001 B13R1.1074 CC(=O)C(C)(C)SCc1cscn1 62a_100000205941_100000075568 [0,2,0,0,0,0|2,0,0]=4 5002 B13R1.1074 CC(=O)C(C)(C)SCc1ncc[nH]1 62a_100000075568_100016991755 [0,2,0,0,0,0|2,0,0]=4 5003 B13R1.1074 CC(=O)C(C)(C)SCc1ncc[nH]1 62a_100016991755_100000075568 [0,2,0,0,0,0|2,0,0]=4 5004 B13R1.1074 CC(=O)C(C)(C)SCc1ncco1 62a_100000075568_103436540062 [0,2,0,0,0,0|1,0,0]=3 5005 B13R1.1074 CC(=O)C(C)(C)SCc1ncco1 62a_103436540062_100000075568 [0,2,0,0,0,0|1,0,0]=3 5006 B13R1.1074 CC(=O)C(C)(C)SCc1nccs1 62a_100000075568_100015184050 [0,2,0,0,0,0|1,1,0]=4 5007 B13R1.1074 CC(=O)C(C)(C)SCc1nccs1 62a_100015184050_100000075568 [0,2,0,0,0,0|1,1,0]=4 5008 B13R1.1074 CC(C)(NCc1ccco1)C(=O)N 2230a_100000185738_100000702505 [0,2,0,0,0,0|2,0,0]=4 5009 B13R1.1074 CC(C)(NCc1ccco1)C(=O)N 34a_100000185738_100000702505 [0,2,0,0,0,0|2,0,0]=4 5010 B13R1.1074 CC(C)(OCc1ccco1)C(=O)N 34a_100000210059_100000702505 [0,2,0,0,0,0|1,1,0]=4 5011 B13R1.1074 CC(C)(SCc1ncco1)C(=O)N 62a_100000702505_103436540062 [0,2,0,0,0,0|2,0,0]=4 5012 B13R1.1074 CC(C)(SCc1ncco1)C(=O)N 62a_103436540062_100000702505 [0,2,0,0,0,0|2,0,0]=4 5013 B13R1.1074 NC(=O)C(F)(F)SCc1ncco1 62a_100009811971_103436540062 [0,2,0,0,0,0|2,0,0]=4 5014 B13R1.1074 NC(=O)C(F)(F)SCc1ncco1 62a_103436540062_100009811971 [0,2,0,0,0,0|2,0,0]=4 5015 B13R1.1074 O=C([O-])C(F)(F)NCc1ccco1 34a_100000185738_100020612412 [0,2,0,0,0,0|2,0,0]=4 5016 B13R1.1074 O=C([O-])C(F)(F)OCc1ccco1 34a_100000210059_100020612412 [0,2,0,0,0,0|1,1,0]=4 5017 B13R1.1074 O=C([O-])C(F)(F)SCc1ncco1 62a_100000745680_103436540062 [0,2,0,0,0,0|2,0,0]=4 5018 B13R1.1074 O=C([O-])C(F)(F)SCc1ncco1 62a_103436540062_100000745680 [0,2,0,0,0,0|2,0,0]=4 5019 B13R1.3383 CCC(NCc1ccco1)C(=O)N 2230a_100000185738_100000750255 [0,2,0,0,0,0|2,0,0]=4 5020 B13R1.3383 CCC(NCc1ccco1)C(=O)N 34a_100000185738_100000750255 [0,2,0,0,0,0|2,0,0]=4 5021 B13R1.3383 CCC(OCc1ccco1)C(=O)N 34a_100000210059_100000750255 [0,2,0,0,0,0|1,1,0]=4 5022 B13R1.3383 CCC(SCc1ncco1)C(=O)N 62a_100000750255_103436540062 [0,2,0,0,0,0|2,0,0]=4 5023 B13R1.3383 CCC(SCc1ncco1)C(=O)N 62a_103436540062_100000750255 [0,2,0,0,0,0|2,0,0]=4 5024 B13R1.3383 N#CC(NCc1ccco1)C(=O)N 270004a_100000039599_100000186105 [0,2,0,0,0,0|2,0,0]=4 5025 B13R1.3383 NC(=O)[C@H](CO)NCc1ccco1 270004a_100000729942_100000186105 [0,2,0,0,0,0|2,0,0]=4 5026 B13R1.404 C#CCC(=O)CCCc1cccs1 1458a_100000184482_100000184674 [0,2,0,0,0,0|1,1,0]=4 5027 B13R1.404 C#CCC(=O)CCCc1cccs1 1458a_100011220946_100010992444 [0,2,0,0,0,0|1,1,0]=4 5028 B13R1.404 C#CCC(=O)NCCc1ccco1 1626a_100000694680_100011220946 [0,2,0,0,0,0|2,0,0]=4 5029 B13R1.404 C#CCC(=O)NCCc1ccco1 527a_100000694680_100011220946 [0,2,0,0,0,0|2,0,0]=4 5030 B13R1.404 C=CCC(=O)CCCc1cccs1 1458a_100000184482_100000210623 [0,2,0,0,0,0|1,1,0]=4 5031 B13R1.404 C=CCC(=O)CCCc1cccs1 1458a_100000210193_100010992444 [0,2,0,0,0,0|1,1,0]=4 5032 B13R1.404 C=CCC(=O)NCCc1ccco1 11a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 5033 B13R1.404 C=CCC(=O)NCCc1ccco1 1626a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 5034 B13R1.404 C=CCC(=O)NCCc1ccco1 240690a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 5035 B13R1.404 C=CCC(=O)NCCc1ccco1 527a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 5036 B13R1.404 C=COC(=O)CNCc1ccco1 2230a_100000185738_100000036128 [0,2,0,0,0,0|1,0,1]=4 5037 B13R1.404 C=COC(=O)CNCc1ccco1 34a_100000185738_100000036128 [0,2,0,0,0,0|1,0,1]=4 5038 B13R1.404 C=COC(=O)COCc1ccco1 34a_100000210059_100000036128 [0,2,0,0,0,0|0,1,1]=4 5039 B13R1.404 C=COC(=O)CSCc1ncco1 62a_100000036128_103436540062 [0,2,0,0,0,0|1,0,1]=4 5040 B13R1.404 C=COC(=O)CSCc1ncco1 62a_103436540062_100000036128 [0,2,0,0,0,0|1,0,1]=4 5041 B13R1.404 CC#CC(=O)CCCc1cccs1 1458a_100000763181_100010992444 [0,2,0,0,0,0|1,1,0]=4 5042 B13R1.404 CC=CC(=O)CCCc1cccs1 1458a_100000210699_100010992444 [0,2,0,0,0,0|1,1,0]=4 5043 B13R1.404 CC=CC(=O)NCCc1ccco1 11a_100000694680_100000210699 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.404 CC=CC(=O)NCCc1ccco1 1626a_100000694680_100000210699 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.404 CC=CC(=O)NCCc1ccco1 240690a_100000694680_100000210699 [0,2,0,0,0,0|2,0,0]=4 5046 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000184482_100000210303 [0,2,0,0,0,0|1,1,0]=4 5047 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000211992_100010992444 [0,2,0,0,0,0|1,1,0]=4 5048 B13R1.404 CCCC(=O)CNCc1ccco1 2230a_100000185738_100000747444 [0,2,0,0,0,0|1,0,0]=3 5049 B13R1.404 CCCC(=O)CNCc1cccs1 2230a_100000211653_100000747444 [0,2,0,0,0,0|1,1,0]=4 5050 B13R1.404 CCCC(=O)CNCc1ncco1 2230a_100016994969_100000747444 [0,2,0,0,0,0|2,0,0]=4 5051 B13R1.404 CCCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747444 [0,2,0,0,0,0|2,0,0]=4 5052 B13R1.404 CCCC(=O)CSCc1c[nH]cn1 62a_100000747444_100000707719 [0,2,0,0,0,0|2,0,0]=4 5053 B13R1.404 CCCC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747444 [0,2,0,0,0,0|2,0,0]=4 5054 B13R1.404 CCCC(=O)CSCc1ccn[nH]1 62a_100000747444_100000728653 [0,2,0,0,0,0|2,0,0]=4 5055 B13R1.404 CCCC(=O)CSCc1ccon1 62a_100000234950_100000747444 [0,2,0,0,0,0|2,0,0]=4 5056 B13R1.404 CCCC(=O)CSCc1ccon1 62a_100000747444_100000234950 [0,2,0,0,0,0|2,0,0]=4 5057 B13R1.404 CCCC(=O)CSCc1ccsc1 62a_100000747444_100011233845 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.404 CCCC(=O)CSCc1ccsc1 62a_100011261437_100000747444 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.404 CCCC(=O)CSCc1cncs1 62a_100000747444_100015185245 [0,2,0,0,0,0|1,1,0]=4 5060 B13R1.404 CCCC(=O)CSCc1cncs1 62a_100015185245_100000747444 [0,2,0,0,0,0|1,1,0]=4 5061 B13R1.404 CCCC(=O)CSCc1cscn1 62a_100000205941_100000747444 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.404 CCCC(=O)CSCc1cscn1 62a_100000747444_100000205941 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.404 CCCC(=O)CSCc1ncc[nH]1 62a_100000747444_100016991755 [0,2,0,0,0,0|2,0,0]=4 5064 B13R1.404 CCCC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747444 [0,2,0,0,0,0|2,0,0]=4 5065 B13R1.404 CCCC(=O)CSCc1ncco1 62a_100000747444_103436540062 [0,2,0,0,0,0|1,0,0]=3 5066 B13R1.404 CCCC(=O)CSCc1ncco1 62a_103436540062_100000747444 [0,2,0,0,0,0|1,0,0]=3 5067 B13R1.404 CCCC(=O)CSCc1nccs1 62a_100000747444_100015184050 [0,2,0,0,0,0|1,1,0]=4 5068 B13R1.404 CCCC(=O)CSCc1nccs1 62a_100015184050_100000747444 [0,2,0,0,0,0|1,1,0]=4 5069 B13R1.404 CCCC(=O)NCCc1ccco1 11a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 5070 B13R1.404 CCCC(=O)NCCc1ccco1 1626a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 5071 B13R1.404 CCCC(=O)NCCc1ccco1 240690a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 5072 B13R1.404 CCCC(=O)NCCc1ccco1 527a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 5073 B13R1.404 CCNC(=O)CCCc1cccs1 11a_100015525214_100000184482 [0,2,0,0,0,0|1,1,0]=4 5074 B13R1.404 CCNC(=O)CCCc1cccs1 240690a_100015525214_100000184482 [0,2,0,0,0,0|1,1,0]=4 5075 B13R1.404 CCNC(=O)CCCc1cccs1 527a_100015525214_100000184482 [0,2,0,0,0,0|1,1,0]=4 5076 B13R1.404 CCNC(=O)CCSc1ccco1 62a_100000737597_100009814098 [0,2,0,0,0,0|2,0,0]=4 5077 B13R1.404 CCNC(=O)CCSc1ccco1 62a_100009814098_100000737597 [0,2,0,0,0,0|2,0,0]=4 5078 B13R1.404 CCNC(=O)CNCc1ccco1 2230a_100000185738_100000183381 [0,2,0,0,0,0|1,0,0]=3 5079 B13R1.404 CCNC(=O)CNCc1ccco1 270004a_100016988866_100000186105 [0,2,0,0,0,0|1,0,0]=3 5080 B13R1.404 CCNC(=O)CNCc1ccco1 34a_100000185738_100000183381 [0,2,0,0,0,0|1,0,0]=3 5081 B13R1.404 CCNC(=O)CNCc1cccs1 2230a_100000211653_100000183381 [0,2,0,0,0,0|1,1,0]=4 5082 B13R1.404 CCNC(=O)CNCc1cccs1 270004a_100016988866_100000209959 [0,2,0,0,0,0|1,1,0]=4 5083 B13R1.404 CCNC(=O)CNCc1cnco1 270004a_100016988866_100000064291 [0,2,0,0,0,0|2,0,0]=4 5084 B13R1.404 CCNC(=O)CNCc1ncco1 2230a_100016988866_103436540062 [0,2,0,0,0,0|2,0,0]=4 5085 B13R1.404 CCNC(=O)CNCc1ncco1 2230a_100016994969_100000183381 [0,2,0,0,0,0|2,0,0]=4 5086 B13R1.404 CCNC(=O)CNCc1ncco1 270004a_100016988866_100000064290 [0,2,0,0,0,0|2,0,0]=4 5087 B13R1.404 CCNC(=O)COCc1ccco1 34a_100000210059_100000183381 [0,2,0,0,0,0|0,1,0]=3 5088 B13R1.404 CCNC(=O)COCc1cccs1 34a_100000211240_100000183381 [0,2,0,0,0,0|0,2,0]=4 5089 B13R1.404 CCNC(=O)COCc1ccno1 34a_100000740478_100000183381 [0,2,0,0,0,0|1,1,0]=4 5090 B13R1.404 CCNC(=O)COCc1ncco1 34a_100000062594_100000183381 [0,2,0,0,0,0|1,1,0]=4 5091 B13R1.404 CCNC(=O)CSCc1c[nH]cn1 62a_100000183381_100000707719 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.404 CCNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183381 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.404 CCNC(=O)CSCc1ccn[nH]1 62a_100000183381_100000728653 [0,2,0,0,0,0|2,0,0]=4 5094 B13R1.404 CCNC(=O)CSCc1ccn[nH]1 62a_100000728653_100000183381 [0,2,0,0,0,0|2,0,0]=4 5095 B13R1.404 CCNC(=O)CSCc1ccon1 62a_100000183381_100000234950 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.404 CCNC(=O)CSCc1ccon1 62a_100000234950_100000183381 [0,2,0,0,0,0|2,0,0]=4 5097 B13R1.404 CCNC(=O)CSCc1ccsc1 62a_100000183381_100011233845 [0,2,0,0,0,0|2,0,0]=4 5098 B13R1.404 CCNC(=O)CSCc1ccsc1 62a_100011261437_100000183381 [0,2,0,0,0,0|2,0,0]=4 5099 B13R1.404 CCNC(=O)CSCc1cncs1 62a_100000183381_100015185245 [0,2,0,0,0,0|1,1,0]=4 5100 B13R1.404 CCNC(=O)CSCc1cncs1 62a_100015185245_100000183381 [0,2,0,0,0,0|1,1,0]=4 5101 B13R1.404 CCNC(=O)CSCc1cscn1 62a_100000183381_100000205941 [0,2,0,0,0,0|2,0,0]=4 5102 B13R1.404 CCNC(=O)CSCc1cscn1 62a_100000205941_100000183381 [0,2,0,0,0,0|2,0,0]=4 5103 B13R1.404 CCNC(=O)CSCc1ncc[nH]1 62a_100000183381_100016991755 [0,2,0,0,0,0|2,0,0]=4 5104 B13R1.404 CCNC(=O)CSCc1ncc[nH]1 62a_100016991755_100000183381 [0,2,0,0,0,0|2,0,0]=4 5105 B13R1.404 CCNC(=O)CSCc1ncco1 62a_100000183381_103436540062 [0,2,0,0,0,0|1,0,0]=3 5106 B13R1.404 CCNC(=O)CSCc1ncco1 62a_103436540062_100000183381 [0,2,0,0,0,0|1,0,0]=3 5107 B13R1.404 CCNC(=O)CSCc1nccs1 62a_100000183381_100015184050 [0,2,0,0,0,0|1,1,0]=4 5108 B13R1.404 CCNC(=O)CSCc1nccs1 62a_100015184050_100000183381 [0,2,0,0,0,0|1,1,0]=4 5109 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100000694680_100015525214 [0,2,0,0,0,0|2,0,0]=4 5110 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100015525214_100000694680 [0,2,0,0,0,0|2,0,0]=4 5111 B13R1.404 CCNC(=O)NCCc1ccco1 273464a_100000694680_100015525214 [0,2,0,0,0,0|2,0,0]=4 5112 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100000694680_100015525214 [0,2,0,0,0,0|2,0,0]=4 5113 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100015525214_100000694680 [0,2,0,0,0,0|2,0,0]=4 5114 B13R1.404 CCNC(C)CSCc1ccco1 270004a_100015525214_200000149978 [0,2,0,0,0,0|1,0,1]=4 5115 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100000765890_100009814098 [0,2,0,0,0,0|2,0,0]=4 5116 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100009814098_100000765890 [0,2,0,0,0,0|2,0,0]=4 5117 B13R1.404 CCOC(=O)CNCc1ccco1 2230a_100000185738_100000188475 [0,2,0,0,0,0|1,0,0]=3 5118 B13R1.404 CCOC(=O)CNCc1ccco1 34a_100000185738_100000188475 [0,2,0,0,0,0|1,0,0]=3 5119 B13R1.404 CCOC(=O)CNCc1cccs1 2230a_100000211653_100000188475 [0,2,0,0,0,0|1,1,0]=4 5120 B13R1.404 CCOC(=O)CNCc1ncco1 2230a_100016994969_100000188475 [0,2,0,0,0,0|2,0,0]=4 5121 B13R1.404 CCOC(=O)COCc1ccco1 34a_100000210059_100000188475 [0,2,0,0,0,0|0,1,0]=3 5122 B13R1.404 CCOC(=O)COCc1cccs1 34a_100000211240_100000188475 [0,2,0,0,0,0|0,2,0]=4 5123 B13R1.404 CCOC(=O)COCc1ccno1 34a_100000740478_100000188475 [0,2,0,0,0,0|1,1,0]=4 5124 B13R1.404 CCOC(=O)COCc1ncco1 34a_100000062594_100000188475 [0,2,0,0,0,0|1,1,0]=4 5125 B13R1.404 CCOC(=O)CSCc1c[nH]cn1 62a_100000188475_100000707719 [0,2,0,0,0,0|2,0,0]=4 5126 B13R1.404 CCOC(=O)CSCc1c[nH]cn1 62a_100000707719_100000188475 [0,2,0,0,0,0|2,0,0]=4 5127 B13R1.404 CCOC(=O)CSCc1ccn[nH]1 62a_100000188475_100000728653 [0,2,0,0,0,0|2,0,0]=4 5128 B13R1.404 CCOC(=O)CSCc1ccn[nH]1 62a_100000728653_100000188475 [0,2,0,0,0,0|2,0,0]=4 5129 B13R1.404 CCOC(=O)CSCc1ccon1 62a_100000188475_100000234950 [0,2,0,0,0,0|2,0,0]=4 5130 B13R1.404 CCOC(=O)CSCc1ccon1 62a_100000234950_100000188475 [0,2,0,0,0,0|2,0,0]=4 5131 B13R1.404 CCOC(=O)CSCc1ccsc1 62a_100000188475_100011233845 [0,2,0,0,0,0|2,0,0]=4 5132 B13R1.404 CCOC(=O)CSCc1ccsc1 62a_100011261437_100000188475 [0,2,0,0,0,0|2,0,0]=4 5133 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100000188475_100015185245 [0,2,0,0,0,0|1,1,0]=4 5134 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100015185245_100000188475 [0,2,0,0,0,0|1,1,0]=4 5135 B13R1.404 CCOC(=O)CSCc1cscn1 62a_100000188475_100000205941 [0,2,0,0,0,0|2,0,0]=4 5136 B13R1.404 CCOC(=O)CSCc1cscn1 62a_100000205941_100000188475 [0,2,0,0,0,0|2,0,0]=4 5137 B13R1.404 CCOC(=O)CSCc1ncc[nH]1 62a_100000188475_100016991755 [0,2,0,0,0,0|2,0,0]=4 5138 B13R1.404 CCOC(=O)CSCc1ncc[nH]1 62a_100016991755_100000188475 [0,2,0,0,0,0|2,0,0]=4 5139 B13R1.404 CCOC(=O)CSCc1ncco1 62a_100000188475_103436540062 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.404 CCOC(=O)CSCc1ncco1 62a_103436540062_100000188475 [0,2,0,0,0,0|1,0,0]=3 5141 B13R1.404 CCOC(=O)CSCc1nccs1 62a_100000188475_100015184050 [0,2,0,0,0,0|1,1,0]=4 5142 B13R1.404 CCOC(=O)CSCc1nccs1 62a_100015184050_100000188475 [0,2,0,0,0,0|1,1,0]=4 5143 B13R1.404 CNNC(=O)CCCc1cccs1 22a_100016993582_100000184482 [0,2,0,0,0,0|1,1,0]=4 5144 B13R1.404 CNNC(=O)NCCc1ccco1 273464a_100000694680_100016993582 [0,2,0,0,0,0|2,0,0]=4 5145 B13R1.404 CNNC(=O)NCCc1ccco1 512a_100000694680_100016993582 [0,2,0,0,0,0|2,0,0]=4 5146 B13R1.404 CNNC(=O)NCCc1ccco1 512a_100016993582_100000694680 [0,2,0,0,0,0|2,0,0]=4 5147 B13R1.404 COCC(=O)CCCc1cccs1 1458a_100000210968_100010992444 [0,2,0,0,0,0|1,1,0]=4 5148 B13R1.404 COCC(=O)NCCc1ccco1 11a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.404 COCC(=O)NCCc1ccco1 1626a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 5150 B13R1.404 COCC(=O)NCCc1ccco1 240690a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.404 COCC(=O)NCCc1ccco1 527a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 5152 B13R1.404 CSCC(=O)CCCc1cccs1 1458a_100000184570_100010992444 [0,2,0,0,0,0|1,1,0]=4 5153 B13R1.404 CSCC(=O)NCCc1ccco1 11a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 5154 B13R1.404 CSCC(=O)NCCc1ccco1 1626a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 5155 B13R1.404 CSCC(=O)NCCc1ccco1 240690a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 5156 B13R1.404 CSCC(=O)NCCc1ccco1 527a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 5157 B13R1.404 N#CCC(=O)CCCc1cccs1 1458a_100000184482_100011214920 [0,2,0,0,0,0|1,1,0]=4 5158 B13R1.404 N#CCC(=O)CCCc1cccs1 1458a_100051588842_100010992444 [0,2,0,0,0,0|1,1,0]=4 5159 B13R1.404 N#CCC(=O)NCCc1ccco1 1626a_100000694680_100051588842 [0,2,0,0,0,0|2,0,0]=4 5160 B13R1.404 N#CCC(=O)NCCc1ccco1 240690a_100000694680_100051588842 [0,2,0,0,0,0|2,0,0]=4 5161 B13R1.404 O=C(CCF)CCCc1cccs1 1458a_100000184482_100011217306 [0,2,0,0,0,0|1,1,0]=4 5162 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100000184482_100000211926 [0,2,0,0,0,0|1,1,0]=4 5163 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100011216618_100010992444 [0,2,0,0,0,0|1,1,0]=4 5164 B13R1.404 O=C(CCO)NCCc1ccco1 240690a_100000694680_100011216618 [0,2,0,0,0,0|2,0,0]=4 5165 B13R1.404 O=C(CNCc1ccco1)NCO 2230a_100000185738_100000185155 [0,2,0,0,0,0|1,0,0]=3 5166 B13R1.404 O=C(CNCc1ccco1)NCO 34a_100000185738_100000185155 [0,2,0,0,0,0|1,0,0]=3 5167 B13R1.404 O=C(CNCc1cccs1)NCO 2230a_100000211653_100000185155 [0,2,0,0,0,0|1,1,0]=4 5168 B13R1.404 O=C(CNCc1ncco1)NCO 2230a_100016994969_100000185155 [0,2,0,0,0,0|2,0,0]=4 5169 B13R1.404 O=C(COCc1ccco1)NCO 34a_100000210059_100000185155 [0,2,0,0,0,0|0,1,0]=3 5170 B13R1.404 O=C(COCc1cccs1)NCO 34a_100000211240_100000185155 [0,2,0,0,0,0|0,2,0]=4 5171 B13R1.404 O=C(COCc1ccno1)NCO 34a_100000740478_100000185155 [0,2,0,0,0,0|1,1,0]=4 5172 B13R1.404 O=C(COCc1ncco1)NCO 34a_100000062594_100000185155 [0,2,0,0,0,0|1,1,0]=4 5173 B13R1.404 O=C(CSCc1c[nH]cn1)NCO 62a_100000185155_100000707719 [0,2,0,0,0,0|2,0,0]=4 5174 B13R1.404 O=C(CSCc1c[nH]cn1)NCO 62a_100000707719_100000185155 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.404 O=C(CSCc1ccn[nH]1)NCO 62a_100000185155_100000728653 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.404 O=C(CSCc1ccn[nH]1)NCO 62a_100000728653_100000185155 [0,2,0,0,0,0|2,0,0]=4 5177 B13R1.404 O=C(CSCc1ccon1)NCO 62a_100000185155_100000234950 [0,2,0,0,0,0|2,0,0]=4 5178 B13R1.404 O=C(CSCc1ccon1)NCO 62a_100000234950_100000185155 [0,2,0,0,0,0|2,0,0]=4 5179 B13R1.404 O=C(CSCc1ccsc1)NCO 62a_100000185155_100011233845 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.404 O=C(CSCc1ccsc1)NCO 62a_100011261437_100000185155 [0,2,0,0,0,0|2,0,0]=4 5181 B13R1.404 O=C(CSCc1cncs1)NCO 62a_100000185155_100015185245 [0,2,0,0,0,0|1,1,0]=4 5182 B13R1.404 O=C(CSCc1cncs1)NCO 62a_100015185245_100000185155 [0,2,0,0,0,0|1,1,0]=4 5183 B13R1.404 O=C(CSCc1cscn1)NCO 62a_100000185155_100000205941 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.404 O=C(CSCc1cscn1)NCO 62a_100000205941_100000185155 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.404 O=C(CSCc1ncc[nH]1)NCO 62a_100000185155_100016991755 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.404 O=C(CSCc1ncc[nH]1)NCO 62a_100016991755_100000185155 [0,2,0,0,0,0|2,0,0]=4 5187 B13R1.404 O=C(CSCc1ncco1)NCO 62a_100000185155_103436540062 [0,2,0,0,0,0|1,0,0]=3 5188 B13R1.404 O=C(CSCc1ncco1)NCO 62a_103436540062_100000185155 [0,2,0,0,0,0|1,0,0]=3 5189 B13R1.404 O=C(CSCc1nccs1)NCO 62a_100000185155_100015184050 [0,2,0,0,0,0|1,1,0]=4 5190 B13R1.404 O=C(CSCc1nccs1)NCO 62a_100015184050_100000185155 [0,2,0,0,0,0|1,1,0]=4 5191 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,1,1,0,0|1,0,1]=4 5192 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,1,1,0,0|1,0,1]=4 5193 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,1,1,0,0|1,0,1]=4 5194 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,1,1,0,0|1,0,1]=4 5195 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,1,1,0,0|1,0,1]=4 5196 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,1,1,0,0|1,0,1]=4 5197 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,1,1,0,0|2,0,0]=4 5198 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,1,1,0,0|1,0,1]=4 5199 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,1,1,0,0|1,0,1]=4 5200 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,1,1,0,0|1,0,1]=4 5201 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,1,1,0,0|1,0,1]=4 5202 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,1,1,0,0|1,0,1]=4 5203 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [1,0,0,1,0,0|1,0,1]=4 5204 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [1,0,0,1,0,0|0,1,1]=4 5205 B11R2.385 c1coc(n1)CSC2CC2 62a_103436540062_100000211595 [1,0,0,1,0,0|1,0,1]=4 5206 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,1|2,0,0]=4 5207 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,1|2,0,0]=4 5208 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,1|2,0,0]=4 5209 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,1|2,0,0]=4 5210 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,1|2,0,0]=4 5211 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,1|2,0,0]=4 5212 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,0,0,1,0,1|1,0,1]=4 5213 B13R2.142 O=C1CN(CN1)Cc2ncco2 2230a_200000708111_103436540062 [0,0,0,1,0,1|2,0,0]=4 5214 B13R2.241 C=C1CC(C1)NCc2ccco2 207a_100132301982_100000186105 [0,0,0,1,0,1|2,0,0]=4 5215 B13R2.241 C=C1CC(C1)NCc2ccco2 270004a_100132301982_100000186105 [0,0,0,1,0,1|2,0,0]=4 5216 B13R2.241 O=C1CC(C1)CSc2ccco2 62a_100009814098_100009874392 [0,0,0,1,0,1|1,0,0]=3 5217 B13R2.241 O=C1CC(C1)CSc2ccco2 62a_100009874392_100009814098 [0,0,0,1,0,1|1,0,0]=3 5218 B13R2.241 O=C1CC(C1)CSc2cccs2 62a_100009874392_100011215356 [0,0,0,1,0,1|1,1,0]=4 5219 B13R2.241 O=C1CC(C1)CSc2cccs2 62a_100011215356_100009874392 [0,0,0,1,0,1|1,1,0]=4 5220 B13R2.241 O=C1CC(C1)CSc2cnco2 62a_100009874392_100020591547 [0,0,0,1,0,1|2,0,0]=4 5221 B13R2.241 O=C1CC(C1)CSc2cnco2 62a_100020591547_100009874392 [0,0,0,1,0,1|2,0,0]=4 5222 B13R2.241 O=C1CC(C1)CSc2ncco2 62a_100009874392_100011787736 [0,0,0,1,0,1|2,0,0]=4 5223 B13R2.241 O=C1CC(C1)CSc2ncco2 62a_100011787736_100009874392 [0,0,0,1,0,1|2,0,0]=4 5224 B13R2.241 O=C1CC(C1)SCc2c[nH]cn2 62a_100009894365_100000707719 [0,0,0,1,0,1|2,0,0]=4 5225 B13R2.241 O=C1CC(C1)SCc2ccn[nH]2 62a_100009894365_100000728653 [0,0,0,1,0,1|2,0,0]=4 5226 B13R2.241 O=C1CC(C1)SCc2ccon2 62a_100009894365_100000234950 [0,0,0,1,0,1|2,0,0]=4 5227 B13R2.241 O=C1CC(C1)SCc2ccsc2 62a_100009894365_100011233845 [0,0,0,1,0,1|2,0,0]=4 5228 B13R2.241 O=C1CC(C1)SCc2cncs2 62a_100009894365_100015185245 [0,0,0,1,0,1|1,1,0]=4 5229 B13R2.241 O=C1CC(C1)SCc2cscn2 62a_100009894365_100000205941 [0,0,0,1,0,1|2,0,0]=4 5230 B13R2.241 O=C1CC(C1)SCc2ncc[nH]2 62a_100009894365_100016991755 [0,0,0,1,0,1|2,0,0]=4 5231 B13R2.241 O=C1CC(C1)SCc2ncco2 62a_100009894365_103436540062 [0,0,0,1,0,1|1,0,0]=3 5232 B13R2.241 O=C1CC(C1)SCc2nccs2 62a_100009894365_100015184050 [0,0,0,1,0,1|1,1,0]=4 5233 B13R2.158 O=C1CCC1NCc2ccco2 34a_100000185738_100009892977 [0,1,0,1,0,0|1,0,0]=3 5234 B13R2.158 O=C1CCC1OCc2ccco2 34a_100000210059_100009892977 [0,1,0,1,0,0|0,1,0]=3 5235 B13R2.158 O=C1CCC1OCc2cccs2 34a_100000211240_100009892977 [0,1,0,1,0,0|0,2,0]=4 5236 B13R2.158 O=C1CCC1OCc2ccno2 34a_100000740478_100009892977 [0,1,0,1,0,0|1,1,0]=4 5237 B13R2.158 O=C1CCC1OCc2ncco2 34a_100000062594_100009892977 [0,1,0,1,0,0|1,1,0]=4 5238 B13R2.158 O=C1CCC1SCc2c[nH]cn2 62a_100000707719_100009892977 [0,1,0,1,0,0|2,0,0]=4 5239 B13R2.158 O=C1CCC1SCc2c[nH]cn2 62a_100009892977_100000707719 [0,1,0,1,0,0|2,0,0]=4 5240 B13R2.158 O=C1CCC1SCc2ccn[nH]2 62a_100000728653_100009892977 [0,1,0,1,0,0|2,0,0]=4 5241 B13R2.158 O=C1CCC1SCc2ccn[nH]2 62a_100009892977_100000728653 [0,1,0,1,0,0|2,0,0]=4 5242 B13R2.158 O=C1CCC1SCc2ccon2 62a_100000234950_100009892977 [0,1,0,1,0,0|2,0,0]=4 5243 B13R2.158 O=C1CCC1SCc2ccon2 62a_100009892977_100000234950 [0,1,0,1,0,0|2,0,0]=4 5244 B13R2.158 O=C1CCC1SCc2ccsc2 62a_100009892977_100011233845 [0,1,0,1,0,0|2,0,0]=4 5245 B13R2.158 O=C1CCC1SCc2ccsc2 62a_100011261437_100009892977 [0,1,0,1,0,0|2,0,0]=4 5246 B13R2.158 O=C1CCC1SCc2cncs2 62a_100009892977_100015185245 [0,1,0,1,0,0|1,1,0]=4 5247 B13R2.158 O=C1CCC1SCc2cncs2 62a_100015185245_100009892977 [0,1,0,1,0,0|1,1,0]=4 5248 B13R2.158 O=C1CCC1SCc2cscn2 62a_100000205941_100009892977 [0,1,0,1,0,0|2,0,0]=4 5249 B13R2.158 O=C1CCC1SCc2cscn2 62a_100009892977_100000205941 [0,1,0,1,0,0|2,0,0]=4 5250 B13R2.158 O=C1CCC1SCc2ncc[nH]2 62a_100009892977_100016991755 [0,1,0,1,0,0|2,0,0]=4 5251 B13R2.158 O=C1CCC1SCc2ncc[nH]2 62a_100016991755_100009892977 [0,1,0,1,0,0|2,0,0]=4 5252 B13R2.158 O=C1CCC1SCc2ncco2 62a_100009892977_103436540062 [0,1,0,1,0,0|1,0,0]=3 5253 B13R2.158 O=C1CCC1SCc2ncco2 62a_103436540062_100009892977 [0,1,0,1,0,0|1,0,0]=3 5254 B13R2.158 O=C1CCC1SCc2nccs2 62a_100009892977_100015184050 [0,1,0,1,0,0|1,1,0]=4 5255 B13R2.158 O=C1CCC1SCc2nccs2 62a_100015184050_100009892977 [0,1,0,1,0,0|1,1,0]=4 5256 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,1,0,1,0|0,0,2]=4 5257 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,2,0|1,0,1]=4 5258 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,2,0|2,0,0]=4 5259 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,2,0|2,0,0]=4 5260 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,2,0|1,0,0]=3 5261 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,2,0|0,0,0]=2 5262 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,2,0|0,1,0]=3 5263 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,2,0|2,0,0]=4 5264 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,2,0|2,0,0]=4 5265 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,2,0|2,0,0]=4 5266 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,2,0|2,0,0]=4 5267 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,2,0|2,0,0]=4 5268 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,2,0|2,0,0]=4 5269 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,2,0|1,1,0]=4 5270 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,2,0|2,0,0]=4 5271 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,2,0|2,0,0]=4 5272 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,2,0|1,0,0]=3 5273 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,2,0|1,1,0]=4 5274 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,2,0|2,0,0]=4 5275 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,2,0|2,0,0]=4 5276 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,2,0|1,0,1]=4 5277 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,2,0|1,0,1]=4 5278 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,2,0|2,0,0]=4 5279 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,2,0|2,0,0]=4 5280 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,2,0|2,0,0]=4 5281 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,2,0|2,0,0]=4 5282 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,2,0|2,0,0]=4 5283 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,2,0|2,0,0]=4 5284 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,2,0|1,0,0]=3 5285 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,2,0|0,0,0]=2 5286 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,2,0|0,1,0]=3 5287 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,2,0|2,0,0]=4 5288 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,2,0|2,0,0]=4 5289 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,2,0|2,0,0]=4 5290 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,2,0|2,0,0]=4 5291 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,2,0|2,0,0]=4 5292 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,2,0|2,0,0]=4 5293 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,1|1,0,1]=4 5294 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,1|1,0,1]=4 5295 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [1,0,0,0,0,1|1,0,1]=4 5296 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [1,0,0,0,0,1|1,0,1]=4 5297 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [1,0,0,0,0,1|1,0,1]=4 5298 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [1,0,0,0,0,1|1,0,1]=4 5299 B11R1.28 C=CCSCc1cccnn1 62a_100000210623_100016990269 [1,0,0,0,0,1|1,0,1]=4 5300 B11R1.28 C=CCSCc1cccnn1 62a_100016990269_100000210623 [1,0,0,0,0,1|1,0,1]=4 5301 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [1,0,0,0,0,1|1,0,1]=4 5302 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [1,0,0,0,0,1|1,0,1]=4 5303 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [1,0,0,0,0,1|1,0,1]=4 5304 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [1,0,0,0,0,1|1,0,1]=4 5305 B11R1.28 C=CCSCc1ncccn1 62a_100000210623_100000703007 [1,0,0,0,0,1|1,0,1]=4 5306 B11R1.28 C=CCSCc1ncccn1 62a_100000703007_100000210623 [1,0,0,0,0,1|1,0,1]=4 5307 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,0,0,0,1|1,0,1]=4 5308 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,0,0,0,1|1,0,1]=4 5309 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,0,0,0,0,1|1,0,1]=4 5310 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,0,0,0,0,1|1,0,1]=4 5311 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,0,0,0,0,1|1,0,1]=4 5312 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,0,0,0,0,1|1,0,1]=4 5313 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [1,0,0,0,0,1|1,0,1]=4 5314 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [1,0,0,0,0,1|1,0,1]=4 5315 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,0,0,0,0,1|1,0,1]=4 5316 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,0,0,0,0,1|1,0,1]=4 5317 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [1,0,0,0,0,1|1,0,1]=4 5318 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [1,0,0,0,0,1|1,0,1]=4 5319 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [1,0,0,0,0,1|1,0,1]=4 5320 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [1,0,0,0,0,1|1,0,1]=4 5321 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,0,0,0,1|2,0,0]=4 5322 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,0,0,0,1|2,0,0]=4 5323 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,1|2,0,0]=4 5324 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,1|2,0,0]=4 5325 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,1|2,0,0]=4 5326 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,0,0,0,0,1|2,0,0]=4 5327 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,0,0,0,0,1|2,0,0]=4 5328 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,0,0,0,0,1|2,0,0]=4 5329 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,0,0,0,0,1|2,0,0]=4 5330 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [1,0,0,0,0,1|2,0,0]=4 5331 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [1,0,0,0,0,1|2,0,0]=4 5332 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,0,0,0,0,1|2,0,0]=4 5333 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,0,0,0,0,1|2,0,0]=4 5334 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [1,0,0,0,0,1|2,0,0]=4 5335 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [1,0,0,0,0,1|2,0,0]=4 5336 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [1,0,0,0,0,1|2,0,0]=4 5337 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [1,0,0,0,0,1|2,0,0]=4 5338 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,0,0,0,0,1|2,0,0]=4 5339 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,0,0,0,0,1|2,0,0]=4 5340 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,0,0,0,0,1|2,0,0]=4 5341 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,0,0,0,0,1|2,0,0]=4 5342 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [1,0,0,0,0,1|2,0,0]=4 5343 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [1,0,0,0,0,1|2,0,0]=4 5344 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,0,0,0,0,1|2,0,0]=4 5345 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,0,0,0,0,1|2,0,0]=4 5346 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [1,0,0,0,0,1|2,0,0]=4 5347 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [1,0,0,0,0,1|2,0,0]=4 5348 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [1,0,0,0,0,1|2,0,0]=4 5349 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [1,0,0,0,0,1|2,0,0]=4 5350 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [1,0,0,0,0,1|2,0,0]=4 5351 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [1,0,0,0,0,1|2,0,0]=4 5352 B11R1.28 CSCSCc1ncccn1 62a_100000703007_100011218213 [1,0,0,0,0,1|2,0,0]=4 5353 B11R1.28 CSCSCc1ncccn1 62a_100011218213_100000703007 [1,0,0,0,0,1|2,0,0]=4 5354 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,1|2,0,0]=4 5355 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,1|2,0,0]=4 5356 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [1,0,0,0,0,1|2,0,0]=4 5357 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,1|1,1,0]=4 5358 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,1|1,1,0]=4 5359 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,1|1,0,0]=3 5360 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,1|1,0,0]=3 5361 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,1|1,0,0]=3 5362 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,1|1,0,0]=3 5363 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,1|1,0,0]=3 5364 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,1|1,0,0]=3 5365 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [1,0,0,0,0,1|1,0,0]=3 5366 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [1,0,0,0,0,1|1,0,0]=3 5367 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,1|1,0,0]=3 5368 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,1|1,0,0]=3 5369 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [1,0,0,0,0,1|1,0,0]=3 5370 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [1,0,0,0,0,1|1,0,0]=3 5371 B11R1.28 O=CCSCc1cncnc1 62a_100015196519_200015260668 [1,0,0,0,0,1|2,0,0]=4 5372 B11R1.28 O=CCSCc1cncnc1 62a_200015260668_100015196519 [1,0,0,0,0,1|2,0,0]=4 5373 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [1,0,0,0,0,1|1,0,0]=3 5374 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [1,0,0,0,0,1|1,0,0]=3 5375 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,0,0,0,0,1|2,0,0]=4 5376 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,0,0,0,0,1|2,0,0]=4 5377 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,0,0,0,0,2|2,0,0]=4 5378 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,0,0,0,0,2|2,0,0]=4 5379 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000721315_100000730704 [0,0,0,0,0,2|2,0,0]=4 5380 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000730704_100000721315 [0,0,0,0,0,2|2,0,0]=4 5381 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000730704_100000741622 [0,0,0,0,0,2|2,0,0]=4 5382 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000741622_100000730704 [0,0,0,0,0,2|2,0,0]=4 5383 B13R1.337 C=C(C)CCSCc1cccnn1 62a_100000730704_100016990269 [0,0,0,0,0,2|2,0,0]=4 5384 B13R1.337 C=C(C)CCSCc1cccnn1 62a_100016990269_100000730704 [0,0,0,0,0,2|2,0,0]=4 5385 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100000730704_100015193705 [0,0,0,0,0,2|2,0,0]=4 5386 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100015193705_100000730704 [0,0,0,0,0,2|2,0,0]=4 5387 B13R1.337 C=C(C)CCSCc1cnccn1 62a_100000730704_100016995436 [0,0,0,0,0,2|2,0,0]=4 5388 B13R1.337 C=C(C)CCSCc1cnccn1 62a_100016995436_100000730704 [0,0,0,0,0,2|2,0,0]=4 5389 B13R1.337 C=C(C)CCSCc1ncccn1 62a_100000703007_100000730704 [0,0,0,0,0,2|2,0,0]=4 5390 B13R1.337 C=C(C)CCSCc1ncccn1 62a_100000730704_100000703007 [0,0,0,0,0,2|2,0,0]=4 5391 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,0,0,0,0,2|2,0,0]=4 5392 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,0,0,0,0,2|2,0,0]=4 5393 B13R1.337 C=C(C)CSCCc1ccccn1 62a_100000748629_100015183660 [0,0,0,0,0,2|2,0,0]=4 5394 B13R1.337 C=C(C)CSCCc1ccccn1 62a_100015183660_100000211660 [0,0,0,0,0,2|2,0,0]=4 5395 B13R1.337 C=C(C)CSCCc1cccnc1 62a_100000748629_200011713674 [0,0,0,0,0,2|2,0,0]=4 5396 B13R1.337 C=C(C)CSCCc1cccnc1 62a_200011713674_100000211660 [0,0,0,0,0,2|2,0,0]=4 5397 B13R1.337 C=C(C)CSCCc1ccncc1 62a_100000723409_100000211660 [0,0,0,0,0,2|2,0,0]=4 5398 B13R1.337 C=C(C)CSCCc1ccncc1 62a_100000748629_100000723409 [0,0,0,0,0,2|2,0,0]=4 5399 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100000748629_100011218342 [0,0,0,0,0,2|2,0,0]=4 5400 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100011218342_100000211660 [0,0,0,0,0,2|2,0,0]=4 5401 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000211182_100000761012 [0,0,0,0,0,2|2,0,0]=4 5402 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000761012_100015291786 [0,0,0,0,0,2|2,0,0]=4 5403 B13R1.337 CC(=CCSCc1ccccn1)C 62a_100000721315_100000761012 [0,0,0,0,0,2|2,0,0]=4 5404 B13R1.337 CC(=CCSCc1ccccn1)C 62a_100000761012_100000721315 [0,0,0,0,0,2|2,0,0]=4 5405 B13R1.337 CC(=CCSCc1cccnc1)C 62a_100000741622_100000761012 [0,0,0,0,0,2|2,0,0]=4 5406 B13R1.337 CC(=CCSCc1cccnc1)C 62a_100000761012_100000741622 [0,0,0,0,0,2|2,0,0]=4 5407 B13R1.337 CC(=CCSCc1cccnn1)C 62a_100000761012_100016990269 [0,0,0,0,0,2|2,0,0]=4 5408 B13R1.337 CC(=CCSCc1cccnn1)C 62a_100016990269_100000761012 [0,0,0,0,0,2|2,0,0]=4 5409 B13R1.337 CC(=CCSCc1ccncc1)C 62a_100000761012_100015193705 [0,0,0,0,0,2|2,0,0]=4 5410 B13R1.337 CC(=CCSCc1ccncc1)C 62a_100015193705_100000761012 [0,0,0,0,0,2|2,0,0]=4 5411 B13R1.337 CC(=CCSCc1cnccn1)C 62a_100000761012_100016995436 [0,0,0,0,0,2|2,0,0]=4 5412 B13R1.337 CC(=CCSCc1cnccn1)C 62a_100016995436_100000761012 [0,0,0,0,0,2|2,0,0]=4 5413 B13R1.337 CC(=CCSCc1ncccn1)C 62a_100000703007_100000761012 [0,0,0,0,0,2|2,0,0]=4 5414 B13R1.337 CC(=CCSCc1ncccn1)C 62a_100000761012_100000703007 [0,0,0,0,0,2|2,0,0]=4 5415 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,0,0,0,2|2,0,0]=4 5416 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,0,0,0,2|2,0,0]=4 5417 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,0,0,0,0,2|2,0,0]=4 5418 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,0,0,0,2|2,0,0]=4 5419 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,0,0,0,0,2|2,0,0]=4 5420 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,0,0,0,0,2|2,0,0]=4 5421 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,0,0,0,0,2|2,0,0]=4 5422 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,0,0,0,0,2|2,0,0]=4 5423 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,0,0,0,0,2|2,0,0]=4 5424 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,0,0,0,0,2|2,0,0]=4 5425 B13R1.337 CC(=O)CCCOc1ccncc1 34a_100000212176_100000685027 [0,0,0,0,0,2|2,0,0]=4 5426 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,0,0,0,0,2|2,0,0]=4 5427 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,0,0,0,0,2|2,0,0]=4 5428 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,0,0,0,0,2|2,0,0]=4 5429 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,0,0,0,0,2|2,0,0]=4 5430 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011215641_100011216584 [0,0,0,0,0,2|2,0,0]=4 5431 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011216584_100011215641 [0,0,0,0,0,2|2,0,0]=4 5432 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [0,0,0,0,0,2|2,0,0]=4 5433 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [0,0,0,0,0,2|2,0,0]=4 5434 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100011215641_100016991348 [0,0,0,0,0,2|2,0,0]=4 5435 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100016991348_100011215641 [0,0,0,0,0,2|2,0,0]=4 5436 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100000728582_100011215641 [0,0,0,0,0,2|2,0,0]=4 5437 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100011215641_100000728582 [0,0,0,0,0,2|2,0,0]=4 5438 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100000703185_100011215641 [0,0,0,0,0,2|2,0,0]=4 5439 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100011215641_100000703185 [0,0,0,0,0,2|2,0,0]=4 5440 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100000211759_100011215641 [0,0,0,0,0,2|2,0,0]=4 5441 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100011215641_100000211759 [0,0,0,0,0,2|2,0,0]=4 5442 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100000211032_100011215641 [0,0,0,0,0,2|2,0,0]=4 5443 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100011215641_100000211032 [0,0,0,0,0,2|2,0,0]=4 5444 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,0,0,0,2|1,1,0]=4 5445 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,0,0,0,2|1,1,0]=4 5446 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,0,0,0,2|1,1,0]=4 5447 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,0,0,0,2|1,1,0]=4 5448 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,0,0,0,2|1,1,0]=4 5449 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,0,0,0,0,2|1,1,0]=4 5450 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,0,0,0,0,2|1,1,0]=4 5451 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,0,0,0,0,2|1,1,0]=4 5452 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,0,0,0,0,2|1,1,0]=4 5453 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [0,0,0,0,0,2|1,1,0]=4 5454 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [0,0,0,0,0,2|1,1,0]=4 5455 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [0,0,0,0,0,2|1,1,0]=4 5456 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [0,0,0,0,0,2|1,1,0]=4 5457 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [0,0,0,0,0,2|1,1,0]=4 5458 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [0,0,0,0,0,2|1,1,0]=4 5459 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [0,0,0,0,0,2|1,1,0]=4 5460 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,0,0,0,0,2|1,0,0]=3 5461 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,0,0,0,0,2|1,0,0]=3 5462 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,0,0,0,0,2|1,0,0]=3 5463 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,0,0,0,0,2|1,0,0]=3 5464 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [0,0,0,0,0,2|1,0,0]=3 5465 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [0,0,0,0,0,2|1,0,0]=3 5466 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [0,0,0,0,0,2|1,0,0]=3 5467 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,0,0,0,0,2|1,0,0]=3 5468 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,0,0,0,0,2|1,0,0]=3 5469 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [0,0,0,0,0,2|1,0,0]=3 5470 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [0,0,0,0,0,2|1,0,0]=3 5471 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100000053229_100015193705 [0,0,0,0,0,2|1,0,0]=3 5472 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100015193705_100000053229 [0,0,0,0,0,2|1,0,0]=3 5473 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [0,0,0,0,0,2|1,0,0]=3 5474 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [0,0,0,0,0,2|1,0,0]=3 5475 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100000053229_100015196519 [0,0,0,0,0,2|2,0,0]=4 5476 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100015196519_100000053229 [0,0,0,0,0,2|2,0,0]=4 5477 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [0,0,0,0,0,2|1,0,0]=3 5478 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [0,0,0,0,0,2|1,0,0]=3 5479 B13R1.337 CC(=O)CCSSc1ccccn1 1458a_100000068049_200000210301 [0,0,0,0,0,2|2,0,0]=4 5480 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,0,0,0,2|1,1,0]=4 5481 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 5482 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 5483 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 5484 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,2|2,0,0]=4 5485 B13R1.337 CC(=O)NCCCc1ccccn1 11a_100000689020_100015343762 [0,0,0,0,0,2|2,0,0]=4 5486 B13R1.337 CC(=O)NCCCc1ccccn1 1626a_100000689020_100015343762 [0,0,0,0,0,2|2,0,0]=4 5487 B13R1.337 CC(=O)NCCCc1ccccn1 240690a_100000689020_100015343762 [0,0,0,0,0,2|2,0,0]=4 5488 B13R1.337 CC(=O)NCCCc1ccccn1 527a_100000689020_100103153847 [0,0,0,0,0,2|2,0,0]=4 5489 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [0,0,0,0,0,2|2,0,0]=4 5490 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [0,0,0,0,0,2|2,0,0]=4 5491 B13R1.337 CC(=O)NCCCc1ccncc1 1626a_100011275580_100015343762 [0,0,0,0,0,2|2,0,0]=4 5492 B13R1.337 CC(=O)NCCCc1ccncc1 240690a_100011275580_100015343762 [0,0,0,0,0,2|2,0,0]=4 5493 B13R1.337 CC(=O)NCCCc1ccncc1 527a_100011275580_100103153847 [0,0,0,0,0,2|2,0,0]=4 5494 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,0,0,0,2|2,0,0]=4 5495 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,0,0,0,2|1,1,0]=4 5496 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,0,0,0,2|1,0,0]=3 5497 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,0,0,0,2|1,0,0]=3 5498 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [0,0,0,0,0,2|1,0,0]=3 5499 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [0,0,0,0,0,2|1,0,0]=3 5500 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [0,0,0,0,0,2|1,0,0]=3 5501 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [0,0,0,0,0,2|1,0,0]=3 5502 B13R1.337 CC(=O)OCSCc1cccnn1 62a_100000076356_100016990269 [0,0,0,0,0,2|1,0,0]=3 5503 B13R1.337 CC(=O)OCSCc1cccnn1 62a_100016990269_100000076356 [0,0,0,0,0,2|1,0,0]=3 5504 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [0,0,0,0,0,2|1,0,0]=3 5505 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [0,0,0,0,0,2|1,0,0]=3 5506 B13R1.337 CC(=O)OCSCc1cnccn1 62a_100000076356_100016995436 [0,0,0,0,0,2|1,0,0]=3 5507 B13R1.337 CC(=O)OCSCc1cnccn1 62a_100016995436_100000076356 [0,0,0,0,0,2|1,0,0]=3 5508 B13R1.337 CC(=O)OCSCc1cncnc1 62a_100000076356_100015196519 [0,0,0,0,0,2|2,0,0]=4 5509 B13R1.337 CC(=O)OCSCc1cncnc1 62a_100015196519_100000076356 [0,0,0,0,0,2|2,0,0]=4 5510 B13R1.337 CC(=O)OCSCc1ncccn1 62a_100000076356_100000703007 [0,0,0,0,0,2|1,0,0]=3 5511 B13R1.337 CC(=O)OCSCc1ncccn1 62a_100000703007_100000076356 [0,0,0,0,0,2|1,0,0]=3 5512 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,0,0,0,2|2,0,0]=4 5513 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,0,0,0,2|2,0,0]=4 5514 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [0,0,0,0,0,2|2,0,0]=4 5515 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [0,0,0,0,0,2|2,0,0]=4 5516 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [0,0,0,0,0,2|2,0,0]=4 5517 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [0,0,0,0,0,2|2,0,0]=4 5518 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100000744528_100016990269 [0,0,0,0,0,2|2,0,0]=4 5519 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100016990269_100000744528 [0,0,0,0,0,2|2,0,0]=4 5520 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [0,0,0,0,0,2|2,0,0]=4 5521 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [0,0,0,0,0,2|2,0,0]=4 5522 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100000744528_100016995436 [0,0,0,0,0,2|2,0,0]=4 5523 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100016995436_100000744528 [0,0,0,0,0,2|2,0,0]=4 5524 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000703007_100000744528 [0,0,0,0,0,2|2,0,0]=4 5525 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000744528_100000703007 [0,0,0,0,0,2|2,0,0]=4 5526 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,0,0,0,2|2,0,0]=4 5527 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,0,0,0,2|2,0,0]=4 5528 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [0,0,0,0,0,2|2,0,0]=4 5529 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [0,0,0,0,0,2|2,0,0]=4 5530 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [0,0,0,0,0,2|2,0,0]=4 5531 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [0,0,0,0,0,2|2,0,0]=4 5532 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000723409_100000747473 [0,0,0,0,0,2|2,0,0]=4 5533 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000747473_100000723409 [0,0,0,0,0,2|2,0,0]=4 5534 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100000747473_100011218342 [0,0,0,0,0,2|2,0,0]=4 5535 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100011218342_100000747473 [0,0,0,0,0,2|2,0,0]=4 5536 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,0,0,0,0,2|2,0,0]=4 5537 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,0,0,0,0,2|2,0,0]=4 5538 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100015183660_100020667443 [0,0,0,0,0,2|2,0,0]=4 5539 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100020667443_100015183660 [0,0,0,0,0,2|2,0,0]=4 5540 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_100020667443_200011713674 [0,0,0,0,0,2|2,0,0]=4 5541 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_200011713674_100020667443 [0,0,0,0,0,2|2,0,0]=4 5542 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100000723409_100020667443 [0,0,0,0,0,2|2,0,0]=4 5543 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100020667443_100000723409 [0,0,0,0,0,2|2,0,0]=4 5544 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100011218342_100020667443 [0,0,0,0,0,2|2,0,0]=4 5545 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100020667443_100011218342 [0,0,0,0,0,2|2,0,0]=4 5546 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,0,0,0,2|2,0,0]=4 5547 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,0,0,0,0,2|2,0,0]=4 5548 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,0,0,0,0,2|2,0,0]=4 5549 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,0,0,0,2|1,1,0]=4 5550 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,0,0,0,0,2|1,0,0]=3 5551 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [0,0,0,0,0,2|1,0,0]=3 5552 B13R1.337 [13CH3]C(=O)CCSSc1ccccn1 1458a_100000068049_200025704644 [0,0,0,0,0,2|2,0,0]=4 5553 B13R1.343 C=C(C)CCNCCc1ccco1 2230a_100000694680_100000730704 [0,0,0,0,0,2|2,0,0]=4 5554 B13R1.343 C=C(C)CCNCCc1ccco1 34a_100000694680_100000730704 [0,0,0,0,0,2|2,0,0]=4 5555 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000730704_100000748579 [0,0,0,0,0,2|1,1,0]=4 5556 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000748579_100000730704 [0,0,0,0,0,2|1,1,0]=4 5557 B13R1.343 C=C(C)CSCCCc1cccs1 62a_100000748629_100010992444 [0,0,0,0,0,2|1,1,0]=4 5558 B13R1.343 C=C(C)CSCCCc1cccs1 62a_100010992444_100000211660 [0,0,0,0,0,2|1,1,0]=4 5559 B13R1.343 CC(=CCCNCc1ccco1)C 2230a_100000185738_100011217483 [0,0,0,0,0,2|2,0,0]=4 5560 B13R1.343 CC(=CCCNCc1ccco1)C 34a_100000185738_100011217483 [0,0,0,0,0,2|2,0,0]=4 5561 B13R1.343 CC(=CCCOCc1ccco1)C 34a_100000210059_100011217483 [0,0,0,0,0,2|1,1,0]=4 5562 B13R1.343 CC(=CCCSCc1ncco1)C 62a_100011217483_103436540062 [0,0,0,0,0,2|2,0,0]=4 5563 B13R1.343 CC(=CCCSCc1ncco1)C 62a_103436540062_100011217483 [0,0,0,0,0,2|2,0,0]=4 5564 B13R1.343 CC(=CCNCCc1ccco1)C 2230a_100000694680_100000761012 [0,0,0,0,0,2|2,0,0]=4 5565 B13R1.343 CC(=CCNCCc1ccco1)C 34a_100000694680_100000761012 [0,0,0,0,0,2|2,0,0]=4 5566 B13R1.343 CC(=CCSCCc1cccs1)C 62a_100000748579_100000761012 [0,0,0,0,0,2|1,1,0]=4 5567 B13R1.343 CC(=CCSCCc1cccs1)C 62a_100000761012_100000748579 [0,0,0,0,0,2|1,1,0]=4 5568 B13R1.343 CC(=O)CCCCSc1ccco1 62a_100000735457_100009814098 [0,0,0,0,0,2|1,0,0]=3 5569 B13R1.343 CC(=O)CCCCSc1ccco1 62a_100009814098_100000735457 [0,0,0,0,0,2|1,0,0]=3 5570 B13R1.343 CC(=O)CCCCSc1cccs1 62a_100000735457_100011215356 [0,0,0,0,0,2|1,1,0]=4 5571 B13R1.343 CC(=O)CCCCSc1cccs1 62a_100011215356_100000735457 [0,0,0,0,0,2|1,1,0]=4 5572 B13R1.343 CC(=O)CCCCSc1cnco1 62a_100000735457_100020591547 [0,0,0,0,0,2|2,0,0]=4 5573 B13R1.343 CC(=O)CCCCSc1cnco1 62a_100020591547_100000735457 [0,0,0,0,0,2|2,0,0]=4 5574 B13R1.343 CC(=O)CCCCSc1ncco1 62a_100000735457_100011787736 [0,0,0,0,0,2|2,0,0]=4 5575 B13R1.343 CC(=O)CCCCSc1ncco1 62a_100011787736_100000735457 [0,0,0,0,0,2|2,0,0]=4 5576 B13R1.343 CC(=O)CCCNCc1ccco1 34a_100000185738_100000685027 [0,0,0,0,0,2|1,0,0]=3 5577 B13R1.343 CC(=O)CCCOCc1ccco1 34a_100000210059_100000685027 [0,0,0,0,0,2|0,1,0]=3 5578 B13R1.343 CC(=O)CCCOCc1cccs1 34a_100000211240_100000685027 [0,0,0,0,0,2|0,2,0]=4 5579 B13R1.343 CC(=O)CCCOCc1ccno1 34a_100000740478_100000685027 [0,0,0,0,0,2|1,1,0]=4 5580 B13R1.343 CC(=O)CCCOCc1ncco1 34a_100000062594_100000685027 [0,0,0,0,0,2|1,1,0]=4 5581 B13R1.343 CC(=O)CCCOCc1ncco1 34a_100000759063_103436540062 [0,0,0,0,0,2|1,1,0]=4 5582 B13R1.343 CC(=O)CCCOCc1ncco1 7a_100000759063_103436540062 [0,0,0,0,0,2|1,1,0]=4 5583 B13R1.343 CC(=O)CCCSCc1c[nH]cn1 62a_100000707719_100011215641 [0,0,0,0,0,2|2,0,0]=4 5584 B13R1.343 CC(=O)CCCSCc1c[nH]cn1 62a_100011215641_100000707719 [0,0,0,0,0,2|2,0,0]=4 5585 B13R1.343 CC(=O)CCCSCc1ccn[nH]1 62a_100000728653_100011215641 [0,0,0,0,0,2|2,0,0]=4 5586 B13R1.343 CC(=O)CCCSCc1ccn[nH]1 62a_100011215641_100000728653 [0,0,0,0,0,2|2,0,0]=4 5587 B13R1.343 CC(=O)CCCSCc1ccon1 62a_100000234950_100011215641 [0,0,0,0,0,2|2,0,0]=4 5588 B13R1.343 CC(=O)CCCSCc1ccon1 62a_100011215641_100000234950 [0,0,0,0,0,2|2,0,0]=4 5589 B13R1.343 CC(=O)CCCSCc1ccsc1 62a_100011215641_100011233845 [0,0,0,0,0,2|2,0,0]=4 5590 B13R1.343 CC(=O)CCCSCc1ccsc1 62a_100011261437_100011215641 [0,0,0,0,0,2|2,0,0]=4 5591 B13R1.343 CC(=O)CCCSCc1cncs1 62a_100011215641_100015185245 [0,0,0,0,0,2|1,1,0]=4 5592 B13R1.343 CC(=O)CCCSCc1cncs1 62a_100015185245_100011215641 [0,0,0,0,0,2|1,1,0]=4 5593 B13R1.343 CC(=O)CCCSCc1cscn1 62a_100000205941_100011215641 [0,0,0,0,0,2|2,0,0]=4 5594 B13R1.343 CC(=O)CCCSCc1cscn1 62a_100011215641_100000205941 [0,0,0,0,0,2|2,0,0]=4 5595 B13R1.343 CC(=O)CCCSCc1ncc[nH]1 62a_100011215641_100016991755 [0,0,0,0,0,2|2,0,0]=4 5596 B13R1.343 CC(=O)CCCSCc1ncc[nH]1 62a_100016991755_100011215641 [0,0,0,0,0,2|2,0,0]=4 5597 B13R1.343 CC(=O)CCCSCc1ncco1 62a_100011215641_103436540062 [0,0,0,0,0,2|1,0,0]=3 5598 B13R1.343 CC(=O)CCCSCc1ncco1 62a_103436540062_100011215641 [0,0,0,0,0,2|1,0,0]=3 5599 B13R1.343 CC(=O)CCCSCc1nccs1 62a_100011215641_100015184050 [0,0,0,0,0,2|1,1,0]=4 5600 B13R1.343 CC(=O)CCCSCc1nccs1 62a_100015184050_100011215641 [0,0,0,0,0,2|1,1,0]=4 5601 B13R1.343 CC(=O)CCOCCc1cccs1 34a_100000759926_100000748579 [0,0,0,0,0,2|0,2,0]=4 5602 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100000759926_100000748579 [0,0,0,0,0,2|0,2,0]=4 5603 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100011216825_100000053229 [0,0,0,0,0,2|0,2,0]=4 5604 B13R1.343 CC(=O)CCSCCc1c[nH]cn1 62a_100000053229_100020628418 [0,0,0,0,0,2|2,0,0]=4 5605 B13R1.343 CC(=O)CCSCCc1c[nH]cn1 62a_100020628418_100000053229 [0,0,0,0,0,2|2,0,0]=4 5606 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000053229_100000748579 [0,0,0,0,0,2|0,1,0]=3 5607 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000748579_100000053229 [0,0,0,0,0,2|0,1,0]=3 5608 B13R1.343 CC(=O)CCSCCn1cccc1 62a_100000053229_200000035178 [0,0,0,0,0,2|2,0,0]=4 5609 B13R1.343 CC(=O)CCSCCn1cccc1 62a_200009811947_100000053229 [0,0,0,0,0,2|2,0,0]=4 5610 B13R1.343 CC(=O)CCSCCn1cccn1 62a_100000053229_100000685285 [0,0,0,0,0,2|2,0,0]=4 5611 B13R1.343 CC(=O)CCSCCn1cccn1 62a_100015204718_100000053229 [0,0,0,0,0,2|2,0,0]=4 5612 B13R1.343 CC(=O)COCCCc1cccs1 34a_100000211253_100010992444 [0,0,0,0,0,2|0,2,0]=4 5613 B13R1.343 CC(=O)NCCNCc1ccco1 207a_100000209853_100000186105 [0,0,0,0,0,2|1,0,0]=3 5614 B13R1.343 CC(=O)NCCNCc1ccco1 2230a_100000185738_100000189650 [0,0,0,0,0,2|1,0,0]=3 5615 B13R1.343 CC(=O)NCCNCc1cccs1 207a_100000209853_100000209959 [0,0,0,0,0,2|1,1,0]=4 5616 B13R1.343 CC(=O)NCCNCc1cccs1 2230a_100000211653_100000189650 [0,0,0,0,0,2|1,1,0]=4 5617 B13R1.343 CC(=O)NCCNCc1ncco1 2230a_100000209853_103436540062 [0,0,0,0,0,2|2,0,0]=4 5618 B13R1.343 CC(=O)NCCNCc1ncco1 2230a_100016994969_100000189650 [0,0,0,0,0,2|2,0,0]=4 5619 B13R1.343 CC(=O)NCCOCc1ncco1 34a_100000158858_103436540062 [0,0,0,0,0,2|1,1,0]=4 5620 B13R1.343 CC(=O)NCCSCc1c[nH]cn1 62a_100000189650_100000707719 [0,0,0,0,0,2|2,0,0]=4 5621 B13R1.343 CC(=O)NCCSCc1c[nH]cn1 62a_100000707719_100000189650 [0,0,0,0,0,2|2,0,0]=4 5622 B13R1.343 CC(=O)NCCSCc1ccco1 11a_100000184675_100015343762 [0,0,0,0,0,2|0,0,0]=2 5623 B13R1.343 CC(=O)NCCSCc1ccco1 240690a_100000184675_100015343762 [0,0,0,0,0,2|0,0,0]=2 5624 B13R1.343 CC(=O)NCCSCc1ccco1 527a_100000184675_100103153847 [0,0,0,0,0,2|0,0,0]=2 5625 B13R1.343 CC(=O)NCCSCc1ccn[nH]1 62a_100000189650_100000728653 [0,0,0,0,0,2|2,0,0]=4 5626 B13R1.343 CC(=O)NCCSCc1ccn[nH]1 62a_100000728653_100000189650 [0,0,0,0,0,2|2,0,0]=4 5627 B13R1.343 CC(=O)NCCSCc1ccon1 62a_100000189650_100000234950 [0,0,0,0,0,2|2,0,0]=4 5628 B13R1.343 CC(=O)NCCSCc1ccon1 62a_100000234950_100000189650 [0,0,0,0,0,2|2,0,0]=4 5629 B13R1.343 CC(=O)NCCSCc1ccsc1 62a_100000189650_100011233845 [0,0,0,0,0,2|2,0,0]=4 5630 B13R1.343 CC(=O)NCCSCc1ccsc1 62a_100011261437_100000189650 [0,0,0,0,0,2|2,0,0]=4 5631 B13R1.343 CC(=O)NCCSCc1cncs1 62a_100000189650_100015185245 [0,0,0,0,0,2|1,1,0]=4 5632 B13R1.343 CC(=O)NCCSCc1cncs1 62a_100015185245_100000189650 [0,0,0,0,0,2|1,1,0]=4 5633 B13R1.343 CC(=O)NCCSCc1cscn1 62a_100000189650_100000205941 [0,0,0,0,0,2|2,0,0]=4 5634 B13R1.343 CC(=O)NCCSCc1cscn1 62a_100000205941_100000189650 [0,0,0,0,0,2|2,0,0]=4 5635 B13R1.343 CC(=O)NCCSCc1ncc[nH]1 62a_100000189650_100016991755 [0,0,0,0,0,2|2,0,0]=4 5636 B13R1.343 CC(=O)NCCSCc1ncc[nH]1 62a_100016991755_100000189650 [0,0,0,0,0,2|2,0,0]=4 5637 B13R1.343 CC(=O)NCCSCc1ncco1 62a_100000189650_103436540062 [0,0,0,0,0,2|1,0,0]=3 5638 B13R1.343 CC(=O)NCCSCc1ncco1 62a_103436540062_100000189650 [0,0,0,0,0,2|1,0,0]=3 5639 B13R1.343 CC(=O)NCCSCc1nccs1 62a_100000189650_100015184050 [0,0,0,0,0,2|1,1,0]=4 5640 B13R1.343 CC(=O)NCCSCc1nccs1 62a_100015184050_100000189650 [0,0,0,0,0,2|1,1,0]=4 5641 B13R1.343 CC(=O)OCCCSc1ccco1 62a_100000042594_100009814098 [0,0,0,0,0,2|1,0,0]=3 5642 B13R1.343 CC(=O)OCCCSc1ccco1 62a_100009814098_100000042594 [0,0,0,0,0,2|1,0,0]=3 5643 B13R1.343 CC(=O)OCCCSc1cccs1 62a_100000042594_100011215356 [0,0,0,0,0,2|1,1,0]=4 5644 B13R1.343 CC(=O)OCCCSc1cccs1 62a_100011215356_100000042594 [0,0,0,0,0,2|1,1,0]=4 5645 B13R1.343 CC(=O)OCCCSc1cnco1 62a_100000042594_100020591547 [0,0,0,0,0,2|2,0,0]=4 5646 B13R1.343 CC(=O)OCCCSc1cnco1 62a_100020591547_100000042594 [0,0,0,0,0,2|2,0,0]=4 5647 B13R1.343 CC(=O)OCCCSc1ncco1 62a_100000042594_100011787736 [0,0,0,0,0,2|2,0,0]=4 5648 B13R1.343 CC(=O)OCCCSc1ncco1 62a_100011787736_100000042594 [0,0,0,0,0,2|2,0,0]=4 5649 B13R1.343 CC(=O)OCCNCc1ccco1 34a_100000185738_100009814007 [0,0,0,0,0,2|1,0,0]=3 5650 B13R1.343 CC(=O)OCCOCc1ccco1 34a_100000210059_100009814007 [0,0,0,0,0,2|0,1,0]=3 5651 B13R1.343 CC(=O)OCCOCc1cccs1 34a_100000211240_100009814007 [0,0,0,0,0,2|0,2,0]=4 5652 B13R1.343 CC(=O)OCCOCc1ccno1 34a_100000740478_100009814007 [0,0,0,0,0,2|1,1,0]=4 5653 B13R1.343 CC(=O)OCCOCc1ncco1 34a_100000062594_100009814007 [0,0,0,0,0,2|1,1,0]=4 5654 B13R1.343 CC(=O)OCCSCc1c[nH]cn1 62a_100000707719_100009814007 [0,0,0,0,0,2|2,0,0]=4 5655 B13R1.343 CC(=O)OCCSCc1c[nH]cn1 62a_100009814007_100000707719 [0,0,0,0,0,2|2,0,0]=4 5656 B13R1.343 CC(=O)OCCSCc1ccn[nH]1 62a_100000728653_100009814007 [0,0,0,0,0,2|2,0,0]=4 5657 B13R1.343 CC(=O)OCCSCc1ccn[nH]1 62a_100009814007_100000728653 [0,0,0,0,0,2|2,0,0]=4 5658 B13R1.343 CC(=O)OCCSCc1ccon1 62a_100000234950_100009814007 [0,0,0,0,0,2|2,0,0]=4 5659 B13R1.343 CC(=O)OCCSCc1ccon1 62a_100009814007_100000234950 [0,0,0,0,0,2|2,0,0]=4 5660 B13R1.343 CC(=O)OCCSCc1ccsc1 62a_100009814007_100011233845 [0,0,0,0,0,2|2,0,0]=4 5661 B13R1.343 CC(=O)OCCSCc1ccsc1 62a_100011261437_100009814007 [0,0,0,0,0,2|2,0,0]=4 5662 B13R1.343 CC(=O)OCCSCc1cncs1 62a_100009814007_100015185245 [0,0,0,0,0,2|1,1,0]=4 5663 B13R1.343 CC(=O)OCCSCc1cncs1 62a_100015185245_100009814007 [0,0,0,0,0,2|1,1,0]=4 5664 B13R1.343 CC(=O)OCCSCc1cscn1 62a_100000205941_100009814007 [0,0,0,0,0,2|2,0,0]=4 5665 B13R1.343 CC(=O)OCCSCc1cscn1 62a_100009814007_100000205941 [0,0,0,0,0,2|2,0,0]=4 5666 B13R1.343 CC(=O)OCCSCc1ncc[nH]1 62a_100009814007_100016991755 [0,0,0,0,0,2|2,0,0]=4 5667 B13R1.343 CC(=O)OCCSCc1ncc[nH]1 62a_100016991755_100009814007 [0,0,0,0,0,2|2,0,0]=4 5668 B13R1.343 CC(=O)OCCSCc1ncco1 62a_100009814007_103436540062 [0,0,0,0,0,2|1,0,0]=3 5669 B13R1.343 CC(=O)OCCSCc1ncco1 62a_103436540062_100009814007 [0,0,0,0,0,2|1,0,0]=3 5670 B13R1.343 CC(=O)OCCSCc1nccs1 62a_100009814007_100015184050 [0,0,0,0,0,2|1,1,0]=4 5671 B13R1.343 CC(=O)OCCSCc1nccs1 62a_100015184050_100009814007 [0,0,0,0,0,2|1,1,0]=4 5672 B13R1.343 CC(=O)OCNCCc1ccco1 34a_100000694680_100009813279 [0,0,0,0,0,2|1,0,0]=3 5673 B13R1.343 CC(=O)OCNCCc1cccs1 34a_100000203755_100009813279 [0,0,0,0,0,2|1,1,0]=4 5674 B13R1.343 CC(=O)OCOCCc1cccs1 34a_100011216825_100009813279 [0,0,0,0,0,2|0,2,0]=4 5675 B13R1.343 CC(=O)OCSCCc1c[nH]cn1 62a_100000076356_100020628418 [0,0,0,0,0,2|2,0,0]=4 5676 B13R1.343 CC(=O)OCSCCc1c[nH]cn1 62a_100020628418_100000076356 [0,0,0,0,0,2|2,0,0]=4 5677 B13R1.343 CC(=O)OCSCCc1cccs1 62a_100000076356_100000748579 [0,0,0,0,0,2|0,1,0]=3 5678 B13R1.343 CC(=O)OCSCCc1cccs1 62a_100000748579_100000076356 [0,0,0,0,0,2|0,1,0]=3 5679 B13R1.343 CC(=O)OCSCCn1cccc1 62a_100000076356_200000035178 [0,0,0,0,0,2|2,0,0]=4 5680 B13R1.343 CC(=O)OCSCCn1cccc1 62a_200009811947_100000076356 [0,0,0,0,0,2|2,0,0]=4 5681 B13R1.343 CC(=O)OCSCCn1cccn1 62a_100000076356_100000685285 [0,0,0,0,0,2|2,0,0]=4 5682 B13R1.343 CC(=O)OCSCCn1cccn1 62a_100015204718_100000076356 [0,0,0,0,0,2|2,0,0]=4 5683 B13R1.343 CC(=O)SCCCSc1ccco1 62a_100000038929_100009814098 [0,0,0,0,0,2|1,0,0]=3 5684 B13R1.343 CC(=O)SCCCSc1ccco1 62a_100009814098_100000038929 [0,0,0,0,0,2|1,0,0]=3 5685 B13R1.343 CC(=O)SCCCSc1cccs1 62a_100000038929_100011215356 [0,0,0,0,0,2|1,1,0]=4 5686 B13R1.343 CC(=O)SCCCSc1cccs1 62a_100011215356_100000038929 [0,0,0,0,0,2|1,1,0]=4 5687 B13R1.343 CC(=O)SCCCSc1cnco1 62a_100000038929_100020591547 [0,0,0,0,0,2|2,0,0]=4 5688 B13R1.343 CC(=O)SCCCSc1cnco1 62a_100020591547_100000038929 [0,0,0,0,0,2|2,0,0]=4 5689 B13R1.343 CC(=O)SCCCSc1ncco1 62a_100000038929_100011787736 [0,0,0,0,0,2|2,0,0]=4 5690 B13R1.343 CC(=O)SCCCSc1ncco1 62a_100011787736_100000038929 [0,0,0,0,0,2|2,0,0]=4 5691 B13R1.343 CC(=S)OCCCSc1ccco1 62a_100009814098_200135323944 [0,0,0,0,0,2|1,1,0]=4 5692 B13R1.343 CC(=S)OCCCSc1ccco1 62a_200135323944_100009814098 [0,0,0,0,0,2|1,1,0]=4 5693 B13R1.343 CC(C)NCCSCc1ccco1 2230a_100000184675_100000210206 [0,0,0,0,0,2|1,0,1]=4 5694 B13R1.343 CC(C)NCCSCc1ccco1 7a_100000184675_100000210206 [0,0,0,0,0,2|1,0,1]=4 5695 B13R1.343 CS(=O)CCCNCc1ccco1 207a_200000753449_100000186105 [0,0,0,0,0,2|2,0,0]=4 5696 B13R1.343 CS(=O)CCCNCc1ccco1 270004a_200000753449_100000186105 [0,0,0,0,0,2|2,0,0]=4 5697 B13R1.343 NC(=O)CCCNCc1ccco1 34a_100000185738_100102525003 [0,0,0,0,0,2|2,0,0]=4 5698 B13R1.343 NC(=O)CCCOCc1ccco1 34a_100000210059_100102525003 [0,0,0,0,0,2|1,1,0]=4 5699 B13R1.343 NC(=O)CCCSCc1ncco1 62a_100102525003_103436540062 [0,0,0,0,0,2|2,0,0]=4 5700 B13R1.343 NC(=O)CCCSCc1ncco1 62a_103436540062_100102525003 [0,0,0,0,0,2|2,0,0]=4 5701 B13R1.343 NC(=O)CCNCCc1ccco1 2230a_100000694680_100000744528 [0,0,0,0,0,2|2,0,0]=4 5702 B13R1.343 NC(=O)CCNCCc1ccco1 34a_100000694680_100000731001 [0,0,0,0,0,2|2,0,0]=4 5703 B13R1.343 NC(=O)CCSCCc1cccs1 62a_100000744528_100000748579 [0,0,0,0,0,2|1,1,0]=4 5704 B13R1.343 NC(=O)CCSCCc1cccs1 62a_100000748579_100000744528 [0,0,0,0,0,2|1,1,0]=4 5705 B13R1.343 NC(=O)COCCSc1ccco1 62a_100000076697_100009814098 [0,0,0,0,0,2|1,1,0]=4 5706 B13R1.343 NC(=O)COCCSc1ccco1 62a_100009814098_100000076697 [0,0,0,0,0,2|1,1,0]=4 5707 B13R1.343 NC(=O)CSCCCc1cccs1 62a_100000747473_100010992444 [0,0,0,0,0,2|1,1,0]=4 5708 B13R1.343 NC(=O)CSCCCc1cccs1 62a_100010992444_100000747473 [0,0,0,0,0,2|1,1,0]=4 5709 B13R1.343 NC(=O)NCCNCc1ccco1 207a_100020590234_100000186105 [0,0,0,0,0,2|2,0,0]=4 5710 B13R1.343 NC(=O)NCCNCc1ccco1 2230a_100000185738_200000034859 [0,0,0,0,0,2|2,0,0]=4 5711 B13R1.343 NC(=O)NCCSCc1ncco1 62a_103436540062_200000034859 [0,0,0,0,0,2|2,0,0]=4 5712 B13R1.343 NC(=O)NCCSCc1ncco1 62a_200000034859_103436540062 [0,0,0,0,0,2|2,0,0]=4 5713 B13R1.343 NC(=O)OCCNCc1ccco1 34a_100000185738_200011214921 [0,0,0,0,0,2|2,0,0]=4 5714 B13R1.343 NC(=O)OCCOCc1ccco1 34a_100000210059_200011214921 [0,0,0,0,0,2|1,1,0]=4 5715 B13R1.343 NC(=O)OCCSCc1ncco1 62a_103436540062_200011214921 [0,0,0,0,0,2|2,0,0]=4 5716 B13R1.343 NC(=O)OCCSCc1ncco1 62a_200011214921_103436540062 [0,0,0,0,0,2|2,0,0]=4 5717 B13R1.343 O=C([O-])CSCCCc1cccs1 62a_100010992444_100020667443 [0,0,0,0,0,2|1,1,0]=4 5718 B13R1.343 O=C([O-])CSCCCc1cccs1 62a_100020667443_100010992444 [0,0,0,0,0,2|1,1,0]=4