0 B15R1.30 C#CCCNCC(=O)c1ccc(cc1)O 34a_100000755551_100009814261 [0,0,0,0,0,0|0,0,4]=4 1 B15R1.30 C#CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000688953 [0,0,0,0,0,0|1,0,2]=3 2 B15R1.30 C#CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000688953 [0,0,0,0,0,0|1,0,2]=3 3 B15R1.30 C#CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000688953 [0,0,0,0,0,0|1,0,2]=3 4 B15R1.30 C#CCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000688953 [0,0,0,0,0,0|1,0,2]=3 5 B15R1.30 C#CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000688953 [0,0,0,0,0,0|1,0,2]=3 6 B15R1.30 C#CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000688953 [0,0,0,0,0,0|1,0,2]=3 7 B15R1.30 C#CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000688953 [0,0,0,0,0,0|1,0,2]=3 8 B15R1.30 C#CCCNCC(O)c1ccc(cc1)Cl 34a_100000755551_200011996143 [0,0,0,0,0,0|1,0,2]=3 9 B15R1.30 C#CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000688953 [0,0,0,0,0,0|0,0,2]=2 10 B15R1.30 C#CCCNC[C@H](O)c1ccc(cc1)F 34a_100000755551_100000720402 [0,0,0,0,0,0|1,0,2]=3 11 B15R1.30 C#CCCOCC(O)c1ccc(cc1)Cl 34a_100011215631_200011996143 [0,0,0,0,0,0|2,0,2]=4 12 B15R1.30 C#CCCOC[C@H](O)c1ccc(cc1)F 34a_100011215631_100000720402 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.30 C#CCCSCC(O)c1ccc(cc1)Cl 62a_100000688953_200011996143 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.30 C#CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.30 C#CCCSC[C@H](O)c1ccc(cc1)F 62a_100000688953_100000720402 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.30 C#CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000688953 [0,0,0,0,0,0|2,0,2]=4 17 B15R1.30 C/C=C/CNCC(C)c1ccc(cc1)O 34a_200015188644_100102629194 [0,0,0,0,0,0|1,0,2]=3 18 B15R1.30 C/C=C/CNCC(O)c1ccc(cc1)Br 34a_100020626992_100102629194 [0,0,0,0,0,0|1,0,2]=3 19 B15R1.30 C/C=C/CNCC(O)c1ccc(cc1)C 34a_200020610344_100102629194 [0,0,0,0,0,0|1,0,2]=3 20 B15R1.30 C/C=C/CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100102629194 [0,0,0,0,0,0|1,0,2]=3 21 B15R1.30 C/C=C/CNCC(O)c1ccc(cc1)O 34a_100000067596_100102629194 [0,0,0,0,0,0|0,0,2]=2 22 B15R1.30 C/C=C/COCC(O)c1ccc(cc1)Cl 34a_100016270725_200011996143 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.30 C/C=C/COC[C@H](O)c1ccc(cc1)F 34a_100016270725_100000720402 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.30 C/C=C/CSCC(O)c1ccc(cc1)Cl 62a_100102629194_200011996143 [0,0,0,0,0,0|2,0,2]=4 25 B15R1.30 C/C=C/CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100102629194 [0,0,0,0,0,0|2,0,2]=4 26 B15R1.30 C/C=C/CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100102629194 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.30 C/C=C/CSC[C@H](O)c1ccc(cc1)F 62a_100102629194_100000720402 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.30 C=CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000754431 [0,0,0,0,0,0|1,0,2]=3 29 B15R1.30 C=CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000754431 [0,0,0,0,0,0|1,0,2]=3 30 B15R1.30 C=CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000754431 [0,0,0,0,0,0|1,0,2]=3 31 B15R1.30 C=CCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000754431 [0,0,0,0,0,0|1,0,2]=3 32 B15R1.30 C=CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000754431 [0,0,0,0,0,0|1,0,2]=3 33 B15R1.30 C=CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000754431 [0,0,0,0,0,0|1,0,2]=3 34 B15R1.30 C=CCCNCC(O)c1ccc(cc1)Cl 2230a_100015191253_200011996143 [0,0,0,0,0,0|1,0,2]=3 35 B15R1.30 C=CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000754431 [0,0,0,0,0,0|1,0,2]=3 36 B15R1.30 C=CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000754431 [0,0,0,0,0,0|0,0,2]=2 37 B15R1.30 C=CCCNC[C@H](O)c1ccc(cc1)F 2230a_100015191253_100000720402 [0,0,0,0,0,0|1,0,2]=3 38 B15R1.30 C=CCCOCC(O)c1ccc(cc1)Cl 34a_100011205117_200011996143 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.30 C=CCCOC[C@H](O)c1ccc(cc1)F 34a_100011205117_100000720402 [0,0,0,0,0,0|2,0,2]=4 40 B15R1.30 C=CCCSCC(O)c1ccc(cc1)Cl 62a_100000754431_200011996143 [0,0,0,0,0,0|2,0,2]=4 41 B15R1.30 C=CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000754431 [0,0,0,0,0,0|2,0,2]=4 42 B15R1.30 C=CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000754431 [0,0,0,0,0,0|2,0,2]=4 43 B15R1.30 C=CCCSC[C@H](O)c1ccc(cc1)F 62a_100000754431_100000720402 [0,0,0,0,0,0|2,0,2]=4 44 B15R1.30 CC#CCNCC(=O)c1ccc(cc1)O 34a_100000685387_100009814261 [0,0,0,0,0,0|0,0,4]=4 45 B15R1.30 CC#CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000748600 [0,0,0,0,0,0|1,0,2]=3 46 B15R1.30 CC#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000748600 [0,0,0,0,0,0|1,0,2]=3 47 B15R1.30 CC#CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000748600 [0,0,0,0,0,0|1,0,2]=3 48 B15R1.30 CC#CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000748600 [0,0,0,0,0,0|1,0,2]=3 49 B15R1.30 CC#CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000748600 [0,0,0,0,0,0|1,0,2]=3 50 B15R1.30 CC#CCNCC(O)c1ccc(cc1)Cl 2230a_100000685387_200011996143 [0,0,0,0,0,0|1,0,2]=3 51 B15R1.30 CC#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000748600 [0,0,0,0,0,0|1,0,2]=3 52 B15R1.30 CC#CCNCC(O)c1ccc(cc1)Cl 34a_100000685387_200011996143 [0,0,0,0,0,0|1,0,2]=3 53 B15R1.30 CC#CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000748600 [0,0,0,0,0,0|1,0,2]=3 54 B15R1.30 CC#CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000748600 [0,0,0,0,0,0|0,0,2]=2 55 B15R1.30 CC#CCNC[C@H](O)c1ccc(cc1)F 2230a_100000685387_100000720402 [0,0,0,0,0,0|1,0,2]=3 56 B15R1.30 CC#CCNC[C@H](O)c1ccc(cc1)F 34a_100000685387_100000720402 [0,0,0,0,0,0|1,0,2]=3 57 B15R1.30 CC#CCOCC(O)c1ccc(cc1)Cl 34a_100000761923_200011996143 [0,0,0,0,0,0|2,0,2]=4 58 B15R1.30 CC#CCOC[C@H](O)c1ccc(cc1)F 34a_100000761923_100000720402 [0,0,0,0,0,0|2,0,2]=4 59 B15R1.30 CC#CCSCC(O)c1ccc(cc1)Cl 62a_100000748600_200011996143 [0,0,0,0,0,0|2,0,2]=4 60 B15R1.30 CC#CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000748600 [0,0,0,0,0,0|2,0,2]=4 61 B15R1.30 CC#CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000748600 [0,0,0,0,0,0|2,0,2]=4 62 B15R1.30 CC#CCSC[C@H](O)c1ccc(cc1)F 62a_100000748600_100000720402 [0,0,0,0,0,0|2,0,2]=4 63 B15R1.30 CC(CNCCCF)c1ccc(cc1)O 34a_200015188644_100011934791 [0,0,0,0,0,0|2,0,0]=2 64 B15R1.30 CC(CNCCCO)c1ccc(cc1)O 34a_200015188644_100000230001 [0,0,0,0,0,0|2,0,0]=2 65 B15R1.30 CC=CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000070051 [0,0,0,0,0,0|1,0,2]=3 66 B15R1.30 CC=CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000070051 [0,0,0,0,0,0|1,0,2]=3 67 B15R1.30 CC=CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000070051 [0,0,0,0,0,0|1,0,2]=3 68 B15R1.30 CC=CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000070051 [0,0,0,0,0,0|1,0,2]=3 69 B15R1.30 CC=CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000070051 [0,0,0,0,0,0|1,0,2]=3 70 B15R1.30 CC=CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000070051 [0,0,0,0,0,0|1,0,2]=3 71 B15R1.30 CC=CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000070051 [0,0,0,0,0,0|1,0,2]=3 72 B15R1.30 CC=CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000070051 [0,0,0,0,0,0|0,0,2]=2 73 B15R1.30 CC=CCSCC(O)c1ccc(cc1)Cl 62a_100000070051_200011996143 [0,0,0,0,0,0|2,0,2]=4 74 B15R1.30 CC=CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000070051 [0,0,0,0,0,0|2,0,2]=4 75 B15R1.30 CC=CCSC[C@H](O)c1ccc(cc1)F 62a_100000070051_100000720402 [0,0,0,0,0,0|2,0,2]=4 76 B15R1.30 CC=CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000070051 [0,0,0,0,0,0|2,0,2]=4 77 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210757 [0,0,0,0,0,0|2,0,2]=4 78 B15R1.30 CCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210757 [0,0,0,0,0,0|2,0,2]=4 79 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210757 [0,0,0,0,0,0|2,0,2]=4 80 B15R1.30 CCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210757 [0,0,0,0,0,0|2,0,2]=4 81 B15R1.30 CCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210757 [0,0,0,0,0,0|2,0,2]=4 82 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210757 [0,0,0,0,0,0|1,0,2]=3 83 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011215111 [0,0,0,0,0,0|1,0,2]=3 84 B15R1.30 CCCCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210314 [0,0,0,0,0,0|4,0,0]=4 85 B15R1.30 CCCCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210757 [0,0,0,0,0,0|4,0,0]=4 86 B15R1.30 CCCCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210314 [0,0,0,0,0,0|4,0,0]=4 87 B15R1.30 CCCCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210314 [0,0,0,0,0,0|4,0,0]=4 88 B15R1.30 CCCCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210757 [0,0,0,0,0,0|4,0,0]=4 89 B15R1.30 CCCCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210314 [0,0,0,0,0,0|4,0,0]=4 90 B15R1.30 CCCCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210314 [0,0,0,0,0,0|4,0,0]=4 91 B15R1.30 CCCCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210757 [0,0,0,0,0,0|4,0,0]=4 92 B15R1.30 CCCCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210314 [0,0,0,0,0,0|4,0,0]=4 93 B15R1.30 CCCCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210314 [0,0,0,0,0,0|4,0,0]=4 94 B15R1.30 CCCCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210757 [0,0,0,0,0,0|4,0,0]=4 95 B15R1.30 CCCCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210314 [0,0,0,0,0,0|4,0,0]=4 96 B15R1.30 CCCCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210314 [0,0,0,0,0,0|4,0,0]=4 97 B15R1.30 CCCCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210757 [0,0,0,0,0,0|4,0,0]=4 98 B15R1.30 CCCCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210314 [0,0,0,0,0,0|4,0,0]=4 99 B15R1.30 CCCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210757 [0,0,0,0,0,0|3,0,0]=3 100 B15R1.30 CCCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210314 [0,0,0,0,0,0|3,0,0]=3 101 B15R1.30 CCCCCNC(=O)c1ccc(cc1)O 240690a_100000209983_100000212099 [0,0,0,0,0,0|2,0,2]=4 102 B15R1.30 CCCCCNC(=O)c1ccc(cc1)O 527a_100000209983_100000212099 [0,0,0,0,0,0|2,0,2]=4 103 B15R1.30 CCCCCNC(C)c1ccc(cc1)Br 2230a_100000209983_100000755118 [0,0,0,0,0,0|4,0,0]=4 104 B15R1.30 CCCCCNC(C)c1ccc(cc1)Br 269862a_100000209983_100000185794 [0,0,0,0,0,0|4,0,0]=4 105 B15R1.30 CCCCCNC(C)c1ccc(cc1)C 2230a_100000209983_100011261388 [0,0,0,0,0,0|4,0,0]=4 106 B15R1.30 CCCCCNC(C)c1ccc(cc1)C 269862a_100000209983_100000185793 [0,0,0,0,0,0|4,0,0]=4 107 B15R1.30 CCCCCNC(C)c1ccc(cc1)Cl 2230a_100000209983_100000684792 [0,0,0,0,0,0|4,0,0]=4 108 B15R1.30 CCCCCNC(C)c1ccc(cc1)Cl 269862a_100000209983_100000185797 [0,0,0,0,0,0|4,0,0]=4 109 B15R1.30 CCCCCNC(C)c1ccc(cc1)F 2230a_100000209983_100000743420 [0,0,0,0,0,0|4,0,0]=4 110 B15R1.30 CCCCCNC(C)c1ccc(cc1)F 269862a_100000209983_100000185800 [0,0,0,0,0,0|4,0,0]=4 111 B15R1.30 CCCCCNC(C)c1ccc(cc1)I 269862a_100000209983_100000185465 [0,0,0,0,0,0|4,0,0]=4 112 B15R1.30 CCCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210326 [0,0,0,0,0,0|4,0,0]=4 113 B15R1.30 CCCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000718602 [0,0,0,0,0,0|4,0,0]=4 114 B15R1.30 CCCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210326 [0,0,0,0,0,0|4,0,0]=4 115 B15R1.30 CCCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210326 [0,0,0,0,0,0|3,0,0]=3 116 B15R1.30 CCCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210326 [0,0,0,0,0,0|4,0,0]=4 117 B15R1.30 CCCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210326 [0,0,0,0,0,0|4,0,0]=4 118 B15R1.30 CCCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000718602 [0,0,0,0,0,0|4,0,0]=4 119 B15R1.30 CCCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210326 [0,0,0,0,0,0|4,0,0]=4 120 B15R1.30 CCCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000718602 [0,0,0,0,0,0|4,0,0]=4 121 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 34a_100000210253_100000755118 [0,0,0,0,0,0|4,0,0]=4 122 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000718602 [0,0,0,0,0,0|4,0,0]=4 123 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210326 [0,0,0,0,0,0|4,0,0]=4 124 B15R1.30 CCCCCOC(C)c1ccc(cc1)C 34a_100000210253_100011261388 [0,0,0,0,0,0|4,0,0]=4 125 B15R1.30 CCCCCOC(C)c1ccc(cc1)C 7a_100000210253_100011261388 [0,0,0,0,0,0|4,0,0]=4 126 B15R1.30 CCCCCOC(C)c1ccc(cc1)Cl 7a_100000210253_100000684792 [0,0,0,0,0,0|4,0,0]=4 127 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000718602 [0,0,0,0,0,0|4,0,0]=4 128 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 34a_100000210253_100000743420 [0,0,0,0,0,0|4,0,0]=4 129 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210326 [0,0,0,0,0,0|4,0,0]=4 130 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 7a_100000210253_100000743420 [0,0,0,0,0,0|4,0,0]=4 131 B15R1.30 CCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000718602 [0,0,0,0,0,0|4,0,0]=4 132 B15R1.30 CCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000718602 [0,0,0,0,0,0|4,0,0]=4 133 B15R1.30 CCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210326 [0,0,0,0,0,0|4,0,0]=4 134 B15R1.30 CCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000718602 [0,0,0,0,0,0|4,0,0]=4 135 B15R1.30 CCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210326 [0,0,0,0,0,0|4,0,0]=4 136 B15R1.30 CCCCCSC(C)c1ccc(cc1)C 62a_100000210326_100011261388 [0,0,0,0,0,0|4,0,0]=4 137 B15R1.30 CCCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210326 [0,0,0,0,0,0|4,0,0]=4 138 B15R1.30 CCCCCSC(C)c1ccc(cc1)F 62a_100000210326_100000743420 [0,0,0,0,0,0|4,0,0]=4 139 B15R1.30 CCCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210326 [0,0,0,0,0,0|4,0,0]=4 140 B15R1.30 CCCCNCC(=O)c1ccc(cc1)Br 7a_106832991798_100000188085 [0,0,0,0,0,0|1,0,2]=3 141 B15R1.30 CCCCNCC(=O)c1ccc(cc1)C 2230a_100000102301_100000211441 [0,0,0,0,0,0|1,0,2]=3 142 B15R1.30 CCCCNCC(=O)c1ccc(cc1)C 7a_106832991798_100000211441 [0,0,0,0,0,0|1,0,2]=3 143 B15R1.30 CCCCNCC(=O)c1ccc(cc1)Cl 7a_106832991798_100000211071 [0,0,0,0,0,0|1,0,2]=3 144 B15R1.30 CCCCNCC(=O)c1ccc(cc1)F 7a_106832991798_100000211279 [0,0,0,0,0,0|1,0,2]=3 145 B15R1.30 CCCCNCC(=O)c1ccc(cc1)I 7a_106832991798_100011216261 [0,0,0,0,0,0|1,0,2]=3 146 B15R1.30 CCCCNCC(=O)c1ccc(cc1)O 7a_106832991798_100000018856 [0,0,0,0,0,0|0,0,2]=2 147 B15R1.30 CCCCNCC(=O)c1ccc(cn1)Cl 7a_106832991798_100016989621 [0,0,0,0,0,0|2,0,2]=4 148 B15R1.30 CCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210210 [0,0,0,0,0,0|1,0,0]=1 149 B15R1.30 CCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210211 [0,0,0,0,0,0|1,0,0]=1 150 B15R1.30 CCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210210 [0,0,0,0,0,0|1,0,0]=1 151 B15R1.30 CCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210211 [0,0,0,0,0,0|1,0,0]=1 152 B15R1.30 CCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210210 [0,0,0,0,0,0|1,0,0]=1 153 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000102301_200011996143 [0,0,0,0,0,0|1,0,0]=1 154 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210211 [0,0,0,0,0,0|1,0,0]=1 155 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210210 [0,0,0,0,0,0|1,0,0]=1 156 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 7a_106832991798_200011996143 [0,0,0,0,0,0|1,0,0]=1 157 B15R1.30 CCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210210 [0,0,0,0,0,0|0,0,0]=0 158 B15R1.30 CCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000102301_100000720402 [0,0,0,0,0,0|1,0,0]=1 159 B15R1.30 CCCCNC[C@H](O)c1ccc(cc1)F 7a_106832991798_100000720402 [0,0,0,0,0,0|1,0,0]=1 160 B15R1.30 CCCCNN=C(C)c1ccc(cc1)Br 4a_100025702795_100000185794 [0,0,0,0,0,0|3,0,1]=4 161 B15R1.30 CCCCNN=C(C)c1ccc(cc1)C 4a_100025702795_100000185793 [0,0,0,0,0,0|3,0,1]=4 162 B15R1.30 CCCCNN=C(C)c1ccc(cc1)Cl 4a_100025702795_100000185797 [0,0,0,0,0,0|3,0,1]=4 163 B15R1.30 CCCCNN=C(C)c1ccc(cc1)F 4a_100025702795_100000185800 [0,0,0,0,0,0|3,0,1]=4 164 B15R1.30 CCCCNN=C(C)c1ccc(cc1)I 4a_100025702795_100000185465 [0,0,0,0,0,0|3,0,1]=4 165 B15R1.30 CCCCNN=C(C)c1ccc(cc1)O 4a_100025702795_100000185113 [0,0,0,0,0,0|2,0,1]=3 166 B15R1.30 CCCCNN=C(C)c1ccc(cn1)O 4a_100025702795_100012001710 [0,0,0,0,0,0|3,0,1]=4 167 B15R1.30 CCCCNN=C(C)c1ccc(nc1)O 4a_100025702795_100012001708 [0,0,0,0,0,0|3,0,1]=4 168 B15R1.30 CCCCNNC(=O)c1ccc(cc1)Br 22a_100025702795_100000185839 [0,0,0,0,0,0|2,0,2]=4 169 B15R1.30 CCCCNNC(=O)c1ccc(cc1)C 22a_100025702795_100000188618 [0,0,0,0,0,0|2,0,2]=4 170 B15R1.30 CCCCNNC(=O)c1ccc(cc1)Cl 22a_100025702795_100000210187 [0,0,0,0,0,0|2,0,2]=4 171 B15R1.30 CCCCNNC(=O)c1ccc(cc1)F 22a_100025702795_100000187176 [0,0,0,0,0,0|2,0,2]=4 172 B15R1.30 CCCCNNC(=O)c1ccc(cc1)I 22a_100025702795_100000187904 [0,0,0,0,0,0|2,0,2]=4 173 B15R1.30 CCCCNNC(=O)c1ccc(cc1)O 22a_100025702795_100000212099 [0,0,0,0,0,0|1,0,2]=3 174 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011995733 [0,0,0,0,0,0|2,0,2]=4 175 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 34a_100000210227_100000188085 [0,0,0,0,0,0|2,0,2]=4 176 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 7a_100000210227_100000188085 [0,0,0,0,0,0|2,0,2]=4 177 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 1458a_100000188618_100011995733 [0,0,0,0,0,0|2,0,2]=4 178 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 34a_100000210227_100000211441 [0,0,0,0,0,0|2,0,2]=4 179 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 7a_100000210227_100000211441 [0,0,0,0,0,0|2,0,2]=4 180 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011995733 [0,0,0,0,0,0|2,0,2]=4 181 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Cl 7a_100000210227_100000211071 [0,0,0,0,0,0|2,0,2]=4 182 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 1458a_100000187176_100011995733 [0,0,0,0,0,0|2,0,2]=4 183 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210210 [0,0,0,0,0,0|2,0,2]=4 184 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 7a_100000210227_100000211279 [0,0,0,0,0,0|2,0,2]=4 185 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 1458a_100000187904_100011995733 [0,0,0,0,0,0|2,0,2]=4 186 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 34a_100000210227_100011216261 [0,0,0,0,0,0|2,0,2]=4 187 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 7a_100000210227_100011216261 [0,0,0,0,0,0|2,0,2]=4 188 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 1458a_100000212099_100011995733 [0,0,0,0,0,0|1,0,2]=3 189 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 34a_100000210227_100009814261 [0,0,0,0,0,0|1,0,2]=3 190 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 7a_100000210227_100000018856 [0,0,0,0,0,0|1,0,2]=3 191 B15R1.30 CCCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210210 [0,0,0,0,0,0|3,0,0]=3 192 B15R1.30 CCCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210210 [0,0,0,0,0,0|3,0,0]=3 193 B15R1.30 CCCCOCC(O)c1ccc(cc1)Cl 34a_100000210227_200011996143 [0,0,0,0,0,0|2,0,0]=2 194 B15R1.30 CCCCOCC(O)c1ccc(cc1)Cl 7a_100000210227_200011996143 [0,0,0,0,0,0|2,0,0]=2 195 B15R1.30 CCCCOCN(C)c1ccc(cc1)Br 2230a_100000219623_100011995733 [0,0,0,0,0,0|4,0,0]=4 196 B15R1.30 CCCCOCN(C)c1ccc(cc1)Br 269982a_100000219623_100011995733 [0,0,0,0,0,0|4,0,0]=4 197 B15R1.30 CCCCOCN(C)c1ccc(cc1)Br 34a_100000219623_100011995733 [0,0,0,0,0,0|4,0,0]=4 198 B15R1.30 CCCCOCN(C)c1ccc(cc1)C 2230a_100000219977_100011995733 [0,0,0,0,0,0|4,0,0]=4 199 B15R1.30 CCCCOCN(C)c1ccc(cc1)C 269982a_100000219977_100011995733 [0,0,0,0,0,0|4,0,0]=4 200 B15R1.30 CCCCOCN(C)c1ccc(cc1)C 34a_100000219977_100011995733 [0,0,0,0,0,0|4,0,0]=4 201 B15R1.30 CCCCOCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011995733 [0,0,0,0,0,0|4,0,0]=4 202 B15R1.30 CCCCOCN(C)c1ccc(cc1)Cl 269982a_100020629279_100011995733 [0,0,0,0,0,0|4,0,0]=4 203 B15R1.30 CCCCOCN(C)c1ccc(cc1)Cl 34a_100020629279_100011995733 [0,0,0,0,0,0|4,0,0]=4 204 B15R1.30 CCCCOCN(C)c1ccc(cc1)F 2230a_100000219829_100011995733 [0,0,0,0,0,0|4,0,0]=4 205 B15R1.30 CCCCOCN(C)c1ccc(cc1)F 269982a_100000219829_100011995733 [0,0,0,0,0,0|4,0,0]=4 206 B15R1.30 CCCCOCN(C)c1ccc(cc1)F 34a_100000219829_100011995733 [0,0,0,0,0,0|4,0,0]=4 207 B15R1.30 CCCCOCN(C)c1ccc(cc1)I 2230a_100000743151_100011995733 [0,0,0,0,0,0|4,0,0]=4 208 B15R1.30 CCCCOCN(C)c1ccc(cc1)I 269982a_100000743151_100011995733 [0,0,0,0,0,0|4,0,0]=4 209 B15R1.30 CCCCOCN(C)c1ccc(cc1)I 34a_100000743151_100011995733 [0,0,0,0,0,0|4,0,0]=4 210 B15R1.30 CCCCOCN(C)c1ccc(cc1)O 269982a_100000182112_100011995733 [0,0,0,0,0,0|3,0,0]=3 211 B15R1.30 CCCCOCN(C)c1ccc(cc1)O 34a_100000182112_100011995733 [0,0,0,0,0,0|3,0,0]=3 212 B15R1.30 CCCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210210 [0,0,0,0,0,0|3,0,0]=3 213 B15R1.30 CCCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210210 [0,0,0,0,0,0|3,0,0]=3 214 B15R1.30 CCCCOC[C@H](O)c1ccc(cc1)F 34a_100000210227_100000720402 [0,0,0,0,0,0|2,0,0]=2 215 B15R1.30 CCCCOC[C@H](O)c1ccc(cc1)F 7a_100000210227_100000720402 [0,0,0,0,0,0|2,0,0]=2 216 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210210 [0,0,0,0,0,0|2,0,2]=4 217 B15R1.30 CCCCSCC(=O)c1ccc(cc1)C 62a_100000210211_100000211441 [0,0,0,0,0,0|2,0,2]=4 218 B15R1.30 CCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210210 [0,0,0,0,0,0|2,0,2]=4 219 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Cl 62a_100000210211_100000211071 [0,0,0,0,0,0|2,0,2]=4 220 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210210 [0,0,0,0,0,0|2,0,2]=4 221 B15R1.30 CCCCSCC(=O)c1ccc(cc1)F 62a_100000210211_100000211279 [0,0,0,0,0,0|2,0,2]=4 222 B15R1.30 CCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210210 [0,0,0,0,0,0|2,0,2]=4 223 B15R1.30 CCCCSCC(=O)c1ccc(cc1)I 62a_100000210211_100011216261 [0,0,0,0,0,0|2,0,2]=4 224 B15R1.30 CCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210210 [0,0,0,0,0,0|2,0,2]=4 225 B15R1.30 CCCCSCC(=O)c1ccc(cc1)O 62a_100000210211_100009814261 [0,0,0,0,0,0|1,0,2]=3 226 B15R1.30 CCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210210 [0,0,0,0,0,0|1,0,2]=3 227 B15R1.30 CCCCSCC(O)c1ccc(cc1)Cl 62a_100000210211_200011996143 [0,0,0,0,0,0|2,0,0]=2 228 B15R1.30 CCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210210 [0,0,0,0,0,0|2,0,0]=2 229 B15R1.30 CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000210211_100000720402 [0,0,0,0,0,0|2,0,0]=2 230 B15R1.30 CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210210 [0,0,0,0,0,0|2,0,0]=2 231 B15R1.30 CCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215938 [0,0,0,0,0,0|2,0,2]=4 232 B15R1.30 CCCOCCC(N)c1ccc(cc1)C 34a_100011661551_100000210303 [0,0,0,0,0,0|4,0,0]=4 233 B15R1.30 CCCOCCC(N)c1ccc(cc1)Cl 34a_100000730317_100000210303 [0,0,0,0,0,0|4,0,0]=4 234 B15R1.30 CCCOCCC(N)c1ccc(cc1)F 34a_100000752280_100000210303 [0,0,0,0,0,0|4,0,0]=4 235 B15R1.30 CCCOCCN(C)c1ccc(cc1)O 269982a_100000182112_100011215938 [0,0,0,0,0,0|4,0,0]=4 236 B15R1.30 CCCOCCN(C)c1ccc(cc1)O 34a_100000182112_100011215938 [0,0,0,0,0,0|4,0,0]=4 237 B15R1.30 CCCOCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_100000210303 [0,0,0,0,0,0|4,0,0]=4 238 B15R1.30 CCCOCC[C@H](N)c1ccc(cc1)N 34a_200020642056_100000210303 [0,0,0,0,0,0|4,0,0]=4 239 B15R1.30 CCCSCCC(=O)c1ccc(cc1)O 62a_100000210303_100009879949 [0,0,0,0,0,0|2,0,2]=4 240 B15R1.30 CCNCCCC(=O)c1ccc(cc1)O 2230a_100015525214_100000039620 [0,0,0,0,0,0|2,0,2]=4 241 B15R1.30 CCOCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100012232248 [0,0,0,0,0,0|2,0,2]=4 242 B15R1.30 CCOCCCN(C)c1ccc(cc1)O 269982a_100000182112_100012232248 [0,0,0,0,0,0|4,0,0]=4 243 B15R1.30 CCOCCCN(C)c1ccc(cc1)O 34a_100000182112_100012232248 [0,0,0,0,0,0|4,0,0]=4 244 B15R1.30 CCOCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011215890 [0,0,0,0,0,0|4,0,0]=4 245 B15R1.30 CCOCSCC(=O)c1ccc(cc1)O 62a_100000739092_100009814261 [0,0,0,0,0,0|2,0,2]=4 246 B15R1.30 CCOCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000739092 [0,0,0,0,0,0|2,0,2]=4 247 B15R1.30 CCOCSCC(O)c1ccc(cc1)Cl 62a_100000739092_200011996143 [0,0,0,0,0,0|3,0,0]=3 248 B15R1.30 CCOCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000739092 [0,0,0,0,0,0|3,0,0]=3 249 B15R1.30 CCOCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000739092 [0,0,0,0,0,0|3,0,0]=3 250 B15R1.30 CCOCSC[C@H](O)c1ccc(cc1)F 62a_100000739092_100000720402 [0,0,0,0,0,0|3,0,0]=3 251 B15R1.30 CCSCCCC(=O)c1ccc(cc1)O 62a_100000210202_100000039620 [0,0,0,0,0,0|2,0,2]=4 252 B15R1.30 CCSCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000757381 [0,0,0,0,0,0|4,0,0]=4 253 B15R1.30 CN(CCCCCF)c1ccc(cc1)O 269982a_100000182112_100000729378 [0,0,0,0,0,0|4,0,0]=4 254 B15R1.30 CN(CCCCCF)c1ccc(cc1)O 34a_100000182112_100000729378 [0,0,0,0,0,0|4,0,0]=4 255 B15R1.30 CN(CCCCCO)c1ccc(cc1)O 269982a_100000182112_100000746330 [0,0,0,0,0,0|4,0,0]=4 256 B15R1.30 CN(CCCCCO)c1ccc(cc1)O 34a_100000182112_100000746330 [0,0,0,0,0,0|4,0,0]=4 257 B15R1.30 COCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000755781 [0,0,0,0,0,0|2,0,2]=4 258 B15R1.30 COCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000730899 [0,0,0,0,0,0|4,0,0]=4 259 B15R1.30 COCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000755781 [0,0,0,0,0,0|4,0,0]=4 260 B15R1.30 COCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000740836 [0,0,0,0,0,0|4,0,0]=4 261 B15R1.30 COCCNCC(=O)c1ccc(cc1)C 2230a_100000209980_100000211441 [0,0,0,0,0,0|2,0,2]=4 262 B15R1.30 COCCNCC(C)c1ccc(cc1)O 34a_200015188644_100011201679 [0,0,0,0,0,0|2,0,0]=2 263 B15R1.30 COCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011201679 [0,0,0,0,0,0|2,0,0]=2 264 B15R1.30 COCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011201679 [0,0,0,0,0,0|2,0,0]=2 265 B15R1.30 COCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011201679 [0,0,0,0,0,0|2,0,0]=2 266 B15R1.30 COCCNCC(O)c1ccc(cc1)C 34a_200020610344_100011201679 [0,0,0,0,0,0|2,0,0]=2 267 B15R1.30 COCCNCC(O)c1ccc(cc1)Cl 2230a_100000209980_200011996143 [0,0,0,0,0,0|2,0,0]=2 268 B15R1.30 COCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011201679 [0,0,0,0,0,0|2,0,0]=2 269 B15R1.30 COCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011201679 [0,0,0,0,0,0|2,0,0]=2 270 B15R1.30 COCCNCC(O)c1ccc(cc1)O 34a_100000067596_100011201679 [0,0,0,0,0,0|1,0,0]=1 271 B15R1.30 COCCNC[C@H](O)c1ccc(cc1)F 2230a_100000209980_100000720402 [0,0,0,0,0,0|2,0,0]=2 272 B15R1.30 COCCNNC(=O)c1ccc(cc1)O 22a_100000741390_100000212099 [0,0,0,0,0,0|2,0,2]=4 273 B15R1.30 COCCOCC(=O)c1ccc(cc1)O 34a_100000210237_100009814261 [0,0,0,0,0,0|2,0,2]=4 274 B15R1.30 COCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100011201679 [0,0,0,0,0,0|4,0,0]=4 275 B15R1.30 COCCOCC(N)c1ccc(cc1)F 34a_100000705410_100011201679 [0,0,0,0,0,0|4,0,0]=4 276 B15R1.30 COCCOCC(O)c1ccc(cc1)Cl 34a_100000210237_200011996143 [0,0,0,0,0,0|3,0,0]=3 277 B15R1.30 COCCOCN(C)c1ccc(cc1)O 269982a_100000182112_100000231047 [0,0,0,0,0,0|4,0,0]=4 278 B15R1.30 COCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100011201679 [0,0,0,0,0,0|4,0,0]=4 279 B15R1.30 COCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100011201679 [0,0,0,0,0,0|4,0,0]=4 280 B15R1.30 COCCOC[C@H](O)c1ccc(cc1)F 34a_100000210237_100000720402 [0,0,0,0,0,0|3,0,0]=3 281 B15R1.30 COCCSCC(=O)c1ccc(cc1)O 62a_100000233755_100009814261 [0,0,0,0,0,0|2,0,2]=4 282 B15R1.30 COCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000233755 [0,0,0,0,0,0|2,0,2]=4 283 B15R1.30 COCCSCC(O)c1ccc(cc1)Cl 62a_100000233755_200011996143 [0,0,0,0,0,0|3,0,0]=3 284 B15R1.30 COCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000233755 [0,0,0,0,0,0|3,0,0]=3 285 B15R1.30 COCCSC[C@H](O)c1ccc(cc1)F 62a_100000233755_100000720402 [0,0,0,0,0,0|3,0,0]=3 286 B15R1.30 COCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000233755 [0,0,0,0,0,0|3,0,0]=3 287 B15R1.30 CSCCNCC(=O)c1ccc(cc1)C 2230a_100020590264_100000211441 [0,0,0,0,0,0|2,0,2]=4 288 B15R1.30 CSCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000212216 [0,0,0,0,0,0|2,0,0]=2 289 B15R1.30 CSCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000751147 [0,0,0,0,0,0|2,0,0]=2 290 B15R1.30 CSCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000212216 [0,0,0,0,0,0|2,0,0]=2 291 B15R1.30 CSCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000751147 [0,0,0,0,0,0|2,0,0]=2 292 B15R1.30 CSCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000212216 [0,0,0,0,0,0|2,0,0]=2 293 B15R1.30 CSCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000751147 [0,0,0,0,0,0|2,0,0]=2 294 B15R1.30 CSCCNCC(O)c1ccc(cc1)Cl 2230a_100020590264_200011996143 [0,0,0,0,0,0|2,0,0]=2 295 B15R1.30 CSCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000212216 [0,0,0,0,0,0|2,0,0]=2 296 B15R1.30 CSCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000212216 [0,0,0,0,0,0|1,0,0]=1 297 B15R1.30 CSCCNC[C@H](O)c1ccc(cc1)F 2230a_100020590264_100000720402 [0,0,0,0,0,0|2,0,0]=2 298 B15R1.30 CSCCOCC(=O)c1ccc(cc1)O 34a_100000230434_100009814261 [0,0,0,0,0,0|2,0,2]=4 299 B15R1.30 CSCCOCC(=O)c1ccc(cc1)O 7a_100000230434_100000018856 [0,0,0,0,0,0|2,0,2]=4 300 B15R1.30 CSCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000212216 [0,0,0,0,0,0|4,0,0]=4 301 B15R1.30 CSCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000212216 [0,0,0,0,0,0|4,0,0]=4 302 B15R1.30 CSCCOCC(O)c1ccc(cc1)Cl 34a_100000230434_200011996143 [0,0,0,0,0,0|3,0,0]=3 303 B15R1.30 CSCCOCC(O)c1ccc(cc1)Cl 7a_100000230434_200011996143 [0,0,0,0,0,0|3,0,0]=3 304 B15R1.30 CSCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000212216 [0,0,0,0,0,0|4,0,0]=4 305 B15R1.30 CSCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000212216 [0,0,0,0,0,0|4,0,0]=4 306 B15R1.30 CSCCOC[C@H](O)c1ccc(cc1)F 34a_100000230434_100000720402 [0,0,0,0,0,0|3,0,0]=3 307 B15R1.30 CSCCOC[C@H](O)c1ccc(cc1)F 7a_100000230434_100000720402 [0,0,0,0,0,0|3,0,0]=3 308 B15R1.30 CSCCSCC(=O)c1ccc(cc1)O 62a_100000212216_100009814261 [0,0,0,0,0,0|2,0,2]=4 309 B15R1.30 CSCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000751147 [0,0,0,0,0,0|2,0,2]=4 310 B15R1.30 CSCCSCC(O)c1ccc(cc1)Cl 62a_100000212216_200011996143 [0,0,0,0,0,0|3,0,0]=3 311 B15R1.30 CSCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000751147 [0,0,0,0,0,0|3,0,0]=3 312 B15R1.30 CSCCSC[C@H](O)c1ccc(cc1)F 62a_100000212216_100000720402 [0,0,0,0,0,0|3,0,0]=3 313 B15R1.30 CSCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000751147 [0,0,0,0,0,0|3,0,0]=3 314 B15R1.30 C[C@H](NCCCCF)c1ccc(cc1)O 2230a_100161106496_100000729493 [0,0,0,0,0,0|4,0,0]=4 315 B15R1.30 C[C@H](NCCCCO)c1ccc(cc1)O 2230a_100161106496_100000210776 [0,0,0,0,0,0|4,0,0]=4 316 B15R1.30 Cc1ccc(cc1)C(=O)CNCCCF 2230a_100015189416_100000211441 [0,0,0,0,0,0|2,0,2]=4 317 B15R1.30 Cc1ccc(cc1)C(=O)CNCCCF 34a_100015189416_100000211441 [0,0,0,0,0,0|2,0,2]=4 318 B15R1.30 Cc1ccc(cc1)C(O)CNCCC#N 2230a_200020610344_100011215226 [0,0,0,0,0,0|2,0,1]=3 319 B15R1.30 Cc1ccc(cc1)C(O)CNCCCF 2230a_200020610344_100011934791 [0,0,0,0,0,0|2,0,0]=2 320 B15R1.30 Cc1ccc(cc1)C(O)CNCCCF 34a_200020610344_100011934791 [0,0,0,0,0,0|2,0,0]=2 321 B15R1.30 Cc1ccc(cc1)C(O)CNCCCO 2230a_200020610344_100000230001 [0,0,0,0,0,0|2,0,0]=2 322 B15R1.30 Cc1ccc(cc1)C(O)CNCCCO 34a_200020610344_100000230001 [0,0,0,0,0,0|2,0,0]=2 323 B15R1.30 Cc1ccc(cc1)[C@@H](N)COCCCF 34a_100009818840_100011934791 [0,0,0,0,0,0|4,0,0]=4 324 B15R1.30 Cc1ccc(cc1)[C@@H](N)COCCCO 34a_100009818840_100000230001 [0,0,0,0,0,0|4,0,0]=4 325 B15R1.30 N#CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215226 [0,0,0,0,0,0|2,0,1]=3 326 B15R1.30 N#CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215226 [0,0,0,0,0,0|2,0,1]=3 327 B15R1.30 N#CCCSCC(O)c1ccc(cc1)Cl 62a_100011215226_200011996143 [0,0,0,0,0,0|3,0,1]=4 328 B15R1.30 N#CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215226 [0,0,0,0,0,0|3,0,1]=4 329 B15R1.30 N#CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215226 [0,0,0,0,0,0|3,0,1]=4 330 B15R1.30 N#CCCSC[C@H](O)c1ccc(cc1)F 62a_100011215226_100000720402 [0,0,0,0,0,0|3,0,1]=4 331 B15R1.30 NC(COCCCF)c1ccc(cc1)Br 34a_100000734186_100011934791 [0,0,0,0,0,0|4,0,0]=4 332 B15R1.30 NC(COCCCF)c1ccc(cc1)F 34a_100000705410_100011934791 [0,0,0,0,0,0|4,0,0]=4 333 B15R1.30 NC(COCCCO)c1ccc(cc1)Br 34a_100000734186_100000230001 [0,0,0,0,0,0|4,0,0]=4 334 B15R1.30 NC(COCCCO)c1ccc(cc1)F 34a_100000705410_100000230001 [0,0,0,0,0,0|4,0,0]=4 335 B15R1.30 NCCCOCC(=O)c1ccc(cc1)O 34a_100000182051_100009814261 [0,0,0,0,0,0|2,0,2]=4 336 B15R1.30 NCCCOCC(O)c1ccc(cc1)Cl 34a_100000182051_200011996143 [0,0,0,0,0,0|3,0,0]=3 337 B15R1.30 NCCCOC[C@H](O)c1ccc(cc1)F 34a_100000182051_100000720402 [0,0,0,0,0,0|3,0,0]=3 338 B15R1.30 NOCCOCC(O)c1ccc(cc1)Cl 34a_100000700252_200011996143 [0,0,0,0,0,0|4,0,0]=4 339 B15R1.30 NOCCOC[C@H](O)c1ccc(cc1)F 34a_100000700252_100000720402 [0,0,0,0,0,0|4,0,0]=4 340 B15R1.30 N[C@H](COCCCF)c1ccc(cc1)Cl 34a_100009818818_100011934791 [0,0,0,0,0,0|4,0,0]=4 341 B15R1.30 N[C@H](COCCCO)c1ccc(cc1)Cl 34a_100009818818_100000230001 [0,0,0,0,0,0|4,0,0]=4 342 B15R1.30 O=C(CCCCCF)c1ccc(cc1)O 1458a_100000212099_100000729378 [0,0,0,0,0,0|2,0,2]=4 343 B15R1.30 O=C(CCCCCO)c1ccc(cc1)O 1458a_100000212099_100000746330 [0,0,0,0,0,0|2,0,2]=4 344 B15R1.30 O=C(CNCCCF)c1ccc(cc1)Br 34a_100015189416_100000188085 [0,0,0,0,0,0|2,0,2]=4 345 B15R1.30 O=C(CNCCCF)c1ccc(cc1)I 34a_100015189416_100011216261 [0,0,0,0,0,0|2,0,2]=4 346 B15R1.30 O=C(CNCCCF)c1ccc(cc1)O 34a_100015189416_100009814261 [0,0,0,0,0,0|1,0,2]=3 347 B15R1.30 O=C(COCCCBr)c1ccc(cc1)O 34a_100011217188_100009814261 [0,0,0,0,0,0|2,0,2]=4 348 B15R1.30 O=C(COCCCCl)c1ccc(cc1)O 34a_100000230001_100009814261 [0,0,0,0,0,0|2,0,2]=4 349 B15R1.30 O=C(COCCCF)c1ccc(cc1)O 34a_100000759539_100009814261 [0,0,0,0,0,0|2,0,2]=4 350 B15R1.30 O=C(CSCCCF)c1ccc(cc1)O 62a_100009814261_100011934791 [0,0,0,0,0,0|2,0,2]=4 351 B15R1.30 O=C(CSCCCF)c1ccc(cc1)O 62a_100011934791_100009814261 [0,0,0,0,0,0|2,0,2]=4 352 B15R1.30 O=C(CSCCCO)c1ccc(cc1)O 62a_100009814261_100011215043 [0,0,0,0,0,0|2,0,2]=4 353 B15R1.30 O=C(CSCCCO)c1ccc(cc1)O 62a_100011215043_100009814261 [0,0,0,0,0,0|2,0,2]=4 354 B15R1.30 OC(CNCCCF)c1ccc(cc1)Br 2230a_100020626992_100011934791 [0,0,0,0,0,0|2,0,0]=2 355 B15R1.30 OC(CNCCCF)c1ccc(cc1)Br 34a_100020626992_100011934791 [0,0,0,0,0,0|2,0,0]=2 356 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 2230a_100000736658_100011934791 [0,0,0,0,0,0|2,0,0]=2 357 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 2230a_100015189416_200011996143 [0,0,0,0,0,0|2,0,0]=2 358 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 34a_100000736658_100011934791 [0,0,0,0,0,0|2,0,0]=2 359 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 34a_100015189416_200011996143 [0,0,0,0,0,0|2,0,0]=2 360 B15R1.30 OC(COCCCBr)c1ccc(cc1)Cl 34a_100011217188_200011996143 [0,0,0,0,0,0|3,0,0]=3 361 B15R1.30 OC(COCCCCl)c1ccc(cc1)Cl 34a_100000230001_200011996143 [0,0,0,0,0,0|3,0,0]=3 362 B15R1.30 OC(COCCCF)c1ccc(cc1)Cl 34a_100000759539_200011996143 [0,0,0,0,0,0|3,0,0]=3 363 B15R1.30 OC(CSCCCF)c1ccc(cc1)Cl 62a_100011934791_200011996143 [0,0,0,0,0,0|3,0,0]=3 364 B15R1.30 OC(CSCCCF)c1ccc(cc1)Cl 62a_200011996143_100011934791 [0,0,0,0,0,0|3,0,0]=3 365 B15R1.30 OCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000230001 [0,0,0,0,0,0|2,0,0]=2 366 B15R1.30 OCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000230001 [0,0,0,0,0,0|2,0,0]=2 367 B15R1.30 OCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000230001 [0,0,0,0,0,0|2,0,0]=2 368 B15R1.30 OCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000230001 [0,0,0,0,0,0|2,0,0]=2 369 B15R1.30 OCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000230001 [0,0,0,0,0,0|1,0,0]=1 370 B15R1.30 OCCCSCC(O)c1ccc(cc1)Cl 62a_100011215043_200011996143 [0,0,0,0,0,0|3,0,0]=3 371 B15R1.30 OCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215043 [0,0,0,0,0,0|3,0,0]=3 372 B15R1.30 OCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215043 [0,0,0,0,0,0|3,0,0]=3 373 B15R1.30 OCCCSC[C@H](O)c1ccc(cc1)F 62a_100011215043_100000720402 [0,0,0,0,0,0|3,0,0]=3 374 B15R1.30 O[C@@H](CNCCCF)c1ccc(cc1)F 2230a_100015189416_100000720402 [0,0,0,0,0,0|2,0,0]=2 375 B15R1.30 O[C@@H](CNCCCF)c1ccc(cc1)F 34a_100015189416_100000720402 [0,0,0,0,0,0|2,0,0]=2 376 B15R1.30 O[C@@H](COCCCBr)c1ccc(cc1)F 34a_100011217188_100000720402 [0,0,0,0,0,0|3,0,0]=3 377 B15R1.30 O[C@@H](COCCCCl)c1ccc(cc1)F 34a_100000230001_100000720402 [0,0,0,0,0,0|3,0,0]=3 378 B15R1.30 O[C@@H](COCCCF)c1ccc(cc1)F 34a_100000759539_100000720402 [0,0,0,0,0,0|3,0,0]=3 379 B15R1.30 O[C@@H](CSCCCF)c1ccc(cc1)F 62a_100000720402_100011934791 [0,0,0,0,0,0|3,0,0]=3 380 B15R1.30 O[C@@H](CSCCCF)c1ccc(cc1)F 62a_100011934791_100000720402 [0,0,0,0,0,0|3,0,0]=3 381 B15R1.30 Oc1ccc(cc1)C(O)CNCCCF 34a_100000067596_100011934791 [0,0,0,0,0,0|1,0,0]=1 382 B15R1.30 [2H]C(OCCCCC)c1ccc(cc1)F 34a_217856618577_100000718602 [0,0,0,0,0,0|4,0,0]=4 383 B15R1.30 [2H]C(OCCCCC)c1ccc(cc1)F 7a_217856618577_100000210326 [0,0,0,0,0,0|4,0,0]=4 384 B14R1.14 BrCCCOCCc1ccc(cc1)Br 34a_100011217188_100011740612 [1,0,0,0,0,0|3,0,0]=4 385 B14R1.14 C#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000688953 [1,0,0,0,0,0|1,0,2]=4 386 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755551_100011740612 [1,0,0,0,0,0|1,0,2]=4 387 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755846_100000688953 [1,0,0,0,0,0|1,0,2]=4 388 B14R1.14 C#CCCNCCc1ccc(cc1)C 2230a_100000705350_100000688953 [1,0,0,0,0,0|1,0,2]=4 389 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000705350_100000688953 [1,0,0,0,0,0|1,0,2]=4 390 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000755551_100011713686 [1,0,0,0,0,0|1,0,2]=4 391 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000688953 [1,0,0,0,0,0|1,0,2]=4 392 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000688953 [1,0,0,0,0,0|1,0,2]=4 393 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000755551_100011713675 [1,0,0,0,0,0|1,0,2]=4 394 B14R1.14 C#CCCNCCc1ccc(cc1)F 2230a_100000199005_100000688953 [1,0,0,0,0,0|1,0,2]=4 395 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000199005_100000688953 [1,0,0,0,0,0|1,0,2]=4 396 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000755551_100011217392 [1,0,0,0,0,0|1,0,2]=4 397 B14R1.14 C#CCCNCCc1ccc(cc1)O 34a_100000743037_100000688953 [1,0,0,0,0,0|0,0,2]=3 398 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100000688953_100009816426 [1,0,0,0,0,0|1,0,2]=4 399 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100009816426_100000688953 [1,0,0,0,0,0|1,0,2]=4 400 B14R1.14 C/C=C/CNCCc1ccc(cc1)Br 34a_100000755846_100102629194 [1,0,0,0,0,0|1,0,2]=4 401 B14R1.14 C/C=C/CNCCc1ccc(cc1)C 34a_100000705350_100102629194 [1,0,0,0,0,0|1,0,2]=4 402 B14R1.14 C/C=C/CNCCc1ccc(cc1)Cl 34a_100000185265_100102629194 [1,0,0,0,0,0|1,0,2]=4 403 B14R1.14 C/C=C/CNCCc1ccc(cc1)F 34a_100000199005_100102629194 [1,0,0,0,0,0|1,0,2]=4 404 B14R1.14 C/C=C/CNCCc1ccc(cc1)O 34a_100000743037_100102629194 [1,0,0,0,0,0|0,0,2]=3 405 B14R1.14 C/C=C/CSCCc1ccc(cc1)O 62a_100009816426_100102629194 [1,0,0,0,0,0|1,0,2]=4 406 B14R1.14 C/C=C/CSCCc1ccc(cc1)O 62a_100102629194_100009816426 [1,0,0,0,0,0|1,0,2]=4 407 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000754431 [1,0,0,0,0,0|1,0,2]=4 408 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100015191253_100011740612 [1,0,0,0,0,0|1,0,2]=4 409 B14R1.14 C=CCCNCCc1ccc(cc1)Br 34a_100000755846_100000754431 [1,0,0,0,0,0|1,0,2]=4 410 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100000705350_100000754431 [1,0,0,0,0,0|1,0,2]=4 411 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100015191253_100011713686 [1,0,0,0,0,0|1,0,2]=4 412 B14R1.14 C=CCCNCCc1ccc(cc1)C 34a_100000705350_100000754431 [1,0,0,0,0,0|1,0,2]=4 413 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000754431 [1,0,0,0,0,0|1,0,2]=4 414 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100015191253_100011713675 [1,0,0,0,0,0|1,0,2]=4 415 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000754431 [1,0,0,0,0,0|1,0,2]=4 416 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100000199005_100000754431 [1,0,0,0,0,0|1,0,2]=4 417 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100015191253_100011217392 [1,0,0,0,0,0|1,0,2]=4 418 B14R1.14 C=CCCNCCc1ccc(cc1)F 34a_100000199005_100000754431 [1,0,0,0,0,0|1,0,2]=4 419 B14R1.14 C=CCCNCCc1ccc(cc1)O 2230a_100015191253_100009816426 [1,0,0,0,0,0|0,0,2]=3 420 B14R1.14 C=CCCNCCc1ccc(cc1)O 34a_100000743037_100000754431 [1,0,0,0,0,0|0,0,2]=3 421 B14R1.14 C=CCCSCCc1ccc(cc1)O 62a_100000754431_100009816426 [1,0,0,0,0,0|1,0,2]=4 422 B14R1.14 C=CCCSCCc1ccc(cc1)O 62a_100009816426_100000754431 [1,0,0,0,0,0|1,0,2]=4 423 B14R1.14 CC#CCNCCc1ccc(cc1)Br 2230a_100000685387_100011740612 [1,0,0,0,0,0|1,0,2]=4 424 B14R1.14 CC#CCNCCc1ccc(cc1)Br 2230a_100000755846_100000748600 [1,0,0,0,0,0|1,0,2]=4 425 B14R1.14 CC#CCNCCc1ccc(cc1)Br 34a_100000685387_100011740612 [1,0,0,0,0,0|1,0,2]=4 426 B14R1.14 CC#CCNCCc1ccc(cc1)Br 34a_100000755846_100000748600 [1,0,0,0,0,0|1,0,2]=4 427 B14R1.14 CC#CCNCCc1ccc(cc1)C 2230a_100000685387_100011713686 [1,0,0,0,0,0|1,0,2]=4 428 B14R1.14 CC#CCNCCc1ccc(cc1)C 2230a_100000705350_100000748600 [1,0,0,0,0,0|1,0,2]=4 429 B14R1.14 CC#CCNCCc1ccc(cc1)C 34a_100000685387_100011713686 [1,0,0,0,0,0|1,0,2]=4 430 B14R1.14 CC#CCNCCc1ccc(cc1)C 34a_100000705350_100000748600 [1,0,0,0,0,0|1,0,2]=4 431 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000748600 [1,0,0,0,0,0|1,0,2]=4 432 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 2230a_100000685387_100011713675 [1,0,0,0,0,0|1,0,2]=4 433 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 34a_100000185265_100000748600 [1,0,0,0,0,0|1,0,2]=4 434 B14R1.14 CC#CCNCCc1ccc(cc1)Cl 34a_100000685387_100011713675 [1,0,0,0,0,0|1,0,2]=4 435 B14R1.14 CC#CCNCCc1ccc(cc1)F 2230a_100000199005_100000748600 [1,0,0,0,0,0|1,0,2]=4 436 B14R1.14 CC#CCNCCc1ccc(cc1)F 2230a_100000685387_100011217392 [1,0,0,0,0,0|1,0,2]=4 437 B14R1.14 CC#CCNCCc1ccc(cc1)F 34a_100000199005_100000748600 [1,0,0,0,0,0|1,0,2]=4 438 B14R1.14 CC#CCNCCc1ccc(cc1)F 34a_100000685387_100011217392 [1,0,0,0,0,0|1,0,2]=4 439 B14R1.14 CC#CCNCCc1ccc(cc1)O 2230a_100000685387_100009816426 [1,0,0,0,0,0|0,0,2]=3 440 B14R1.14 CC#CCNCCc1ccc(cc1)O 34a_100000743037_100000748600 [1,0,0,0,0,0|0,0,2]=3 441 B14R1.14 CC#CCSCCc1ccc(cc1)O 62a_100000748600_100009816426 [1,0,0,0,0,0|1,0,2]=4 442 B14R1.14 CC#CCSCCc1ccc(cc1)O 62a_100009816426_100000748600 [1,0,0,0,0,0|1,0,2]=4 443 B14R1.14 CC=CCNCCc1ccc(cc1)Br 2230a_100000755846_100000070051 [1,0,0,0,0,0|1,0,2]=4 444 B14R1.14 CC=CCNCCc1ccc(cc1)Br 34a_100000755846_100000070051 [1,0,0,0,0,0|1,0,2]=4 445 B14R1.14 CC=CCNCCc1ccc(cc1)C 2230a_100000705350_100000070051 [1,0,0,0,0,0|1,0,2]=4 446 B14R1.14 CC=CCNCCc1ccc(cc1)C 34a_100000705350_100000070051 [1,0,0,0,0,0|1,0,2]=4 447 B14R1.14 CC=CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000070051 [1,0,0,0,0,0|1,0,2]=4 448 B14R1.14 CC=CCNCCc1ccc(cc1)Cl 34a_100000185265_100000070051 [1,0,0,0,0,0|1,0,2]=4 449 B14R1.14 CC=CCNCCc1ccc(cc1)F 2230a_100000199005_100000070051 [1,0,0,0,0,0|1,0,2]=4 450 B14R1.14 CC=CCNCCc1ccc(cc1)F 34a_100000199005_100000070051 [1,0,0,0,0,0|1,0,2]=4 451 B14R1.14 CC=CCNCCc1ccc(cc1)O 34a_100000743037_100000070051 [1,0,0,0,0,0|0,0,2]=3 452 B14R1.14 CC=CCSCCc1ccc(cc1)O 62a_100000070051_100009816426 [1,0,0,0,0,0|1,0,2]=4 453 B14R1.14 CC=CCSCCc1ccc(cc1)O 62a_100009816426_100000070051 [1,0,0,0,0,0|1,0,2]=4 454 B14R1.14 CCCCCC=Cc1ccc(cc1)O 271570a_100000062253_100000185759 [1,0,0,0,0,0|1,0,2]=4 455 B14R1.14 CCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813667 [1,0,0,0,0,0|1,0,0]=2 456 B14R1.14 CCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210314 [1,0,0,0,0,0|3,0,0]=4 457 B14R1.14 CCCCCCNc1ccc(cc1)Br 34a_100000210018_100000210314 [1,0,0,0,0,0|3,0,0]=4 458 B14R1.14 CCCCCCNc1ccc(cc1)C 34a_100000124888_100000210314 [1,0,0,0,0,0|3,0,0]=4 459 B14R1.14 CCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210314 [1,0,0,0,0,0|3,0,0]=4 460 B14R1.14 CCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000210314 [1,0,0,0,0,0|3,0,0]=4 461 B14R1.14 CCCCCCNc1ccc(cc1)F 34a_100000185862_100000210314 [1,0,0,0,0,0|3,0,0]=4 462 B14R1.14 CCCCCCNc1ccc(cc1)I 34a_100000185761_100000210314 [1,0,0,0,0,0|3,0,0]=4 463 B14R1.14 CCCCCCNc1ccc(cc1)O 34a_100000185829_100000210314 [1,0,0,0,0,0|2,0,0]=3 464 B14R1.14 CCCCCCOc1ccc(cc1)Br 34a_100000185759_100000210314 [1,0,0,0,0,0|3,0,0]=4 465 B14R1.14 CCCCCCOc1ccc(cc1)Br 7a_100000185759_100000210314 [1,0,0,0,0,0|3,0,0]=4 466 B14R1.14 CCCCCCOc1ccc(cc1)C 34a_100000210336_100000210314 [1,0,0,0,0,0|3,0,0]=4 467 B14R1.14 CCCCCCOc1ccc(cc1)C 7a_100000210336_100000210314 [1,0,0,0,0,0|3,0,0]=4 468 B14R1.14 CCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000210314 [1,0,0,0,0,0|3,0,0]=4 469 B14R1.14 CCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210314 [1,0,0,0,0,0|3,0,0]=4 470 B14R1.14 CCCCCCOc1ccc(cc1)F 34a_100000210339_100000210314 [1,0,0,0,0,0|3,0,0]=4 471 B14R1.14 CCCCCCOc1ccc(cc1)I 34a_100000212066_100000210314 [1,0,0,0,0,0|3,0,0]=4 472 B14R1.14 CCCCCCOc1ccc(cc1)I 7a_100000212066_100000210314 [1,0,0,0,0,0|3,0,0]=4 473 B14R1.14 CCCCCCOc1ccc(cc1)N 34a_100000185829_100000210314 [1,0,0,0,0,0|3,0,0]=4 474 B14R1.14 CCCCCCOc1ccc(cc1)O 271570a_203496583355_100011216197 [1,0,0,0,0,0|2,0,0]=3 475 B14R1.14 CCCCCCSc1ccc(cc1)C 62a_100000186775_100000210757 [1,0,0,0,0,0|3,0,0]=4 476 B14R1.14 CCCCCCSc1ccc(cc1)C 62a_100000210314_100000186775 [1,0,0,0,0,0|3,0,0]=4 477 B14R1.14 CCCCCCSc1ccc(cc1)F 62a_100000210314_100000211213 [1,0,0,0,0,0|3,0,0]=4 478 B14R1.14 CCCCCCSc1ccc(cc1)F 62a_100000211213_100000210757 [1,0,0,0,0,0|3,0,0]=4 479 B14R1.14 CCCCCCSc1ccc(cc1)N 62a_100000185761_100000210757 [1,0,0,0,0,0|3,0,0]=4 480 B14R1.14 CCCCCCSc1ccc(cc1)N 62a_100000210314_100000185761 [1,0,0,0,0,0|3,0,0]=4 481 B14R1.14 CCCCCCSc1ccc(cc1)O 62a_100000210314_100000185759 [1,0,0,0,0,0|2,0,0]=3 482 B14R1.14 CCCCCCSc1ccc(cn1)O 62a_100000210314_100000744096 [1,0,0,0,0,0|3,0,0]=4 483 B14R1.14 CCCCCCSc1ccc(cn1)O 62a_100000685995_100000210757 [1,0,0,0,0,0|3,0,0]=4 484 B14R1.14 CCCCCNCc1ccc(cc1)Br 207a_100000209983_100000186029 [1,0,0,0,0,0|3,0,0]=4 485 B14R1.14 CCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210326 [1,0,0,0,0,0|3,0,0]=4 486 B14R1.14 CCCCCNCc1ccc(cc1)Br 2230a_100000209983_100011217064 [1,0,0,0,0,0|3,0,0]=4 487 B14R1.14 CCCCCNCc1ccc(cc1)Br 270004a_100000209983_100000186029 [1,0,0,0,0,0|3,0,0]=4 488 B14R1.14 CCCCCNCc1ccc(cc1)Br 34a_100000174875_100000718602 [1,0,0,0,0,0|3,0,0]=4 489 B14R1.14 CCCCCNCc1ccc(cc1)C 207a_100000209983_100000211033 [1,0,0,0,0,0|3,0,0]=4 490 B14R1.14 CCCCCNCc1ccc(cc1)C 2230a_100000174908_100000210326 [1,0,0,0,0,0|3,0,0]=4 491 B14R1.14 CCCCCNCc1ccc(cc1)C 2230a_100000209983_100000210814 [1,0,0,0,0,0|3,0,0]=4 492 B14R1.14 CCCCCNCc1ccc(cc1)C 270004a_100000209983_100000211033 [1,0,0,0,0,0|3,0,0]=4 493 B14R1.14 CCCCCNCc1ccc(cc1)C 34a_100000174908_100000718602 [1,0,0,0,0,0|3,0,0]=4 494 B14R1.14 CCCCCNCc1ccc(cc1)Cl 207a_100000209983_100000189385 [1,0,0,0,0,0|3,0,0]=4 495 B14R1.14 CCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210326 [1,0,0,0,0,0|3,0,0]=4 496 B14R1.14 CCCCCNCc1ccc(cc1)Cl 2230a_100000209983_100000694040 [1,0,0,0,0,0|3,0,0]=4 497 B14R1.14 CCCCCNCc1ccc(cc1)Cl 270004a_100000209983_100000189385 [1,0,0,0,0,0|3,0,0]=4 498 B14R1.14 CCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000718602 [1,0,0,0,0,0|3,0,0]=4 499 B14R1.14 CCCCCNCc1ccc(cc1)F 207a_100000209983_100000210084 [1,0,0,0,0,0|3,0,0]=4 500 B14R1.14 CCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210326 [1,0,0,0,0,0|3,0,0]=4 501 B14R1.14 CCCCCNCc1ccc(cc1)F 2230a_100000209983_100000198546 [1,0,0,0,0,0|3,0,0]=4 502 B14R1.14 CCCCCNCc1ccc(cc1)F 270004a_100000209983_100000210084 [1,0,0,0,0,0|3,0,0]=4 503 B14R1.14 CCCCCNCc1ccc(cc1)F 34a_100000174882_100000718602 [1,0,0,0,0,0|3,0,0]=4 504 B14R1.14 CCCCCNCc1ccc(cc1)I 207a_100000209983_100000188517 [1,0,0,0,0,0|3,0,0]=4 505 B14R1.14 CCCCCNCc1ccc(cc1)I 2230a_100000209983_100000189116 [1,0,0,0,0,0|3,0,0]=4 506 B14R1.14 CCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210326 [1,0,0,0,0,0|3,0,0]=4 507 B14R1.14 CCCCCNCc1ccc(cc1)I 34a_100016989417_100000718602 [1,0,0,0,0,0|3,0,0]=4 508 B14R1.14 CCCCCNCc1ccc(cc1)O 34a_100000185549_100000718602 [1,0,0,0,0,0|2,0,0]=3 509 B14R1.14 CCCCCNCc1ccc(nc1)O 207a_100000209983_100011361521 [1,0,0,0,0,0|3,0,0]=4 510 B14R1.14 CCCCCNCc1ccc(nc1)O 2230a_100000757128_100000210326 [1,0,0,0,0,0|3,0,0]=4 511 B14R1.14 CCCCCOCc1ccc(cc1)Br 34a_100000210253_100000189115 [1,0,0,0,0,0|3,0,0]=4 512 B14R1.14 CCCCCOCc1ccc(cc1)Br 34a_100000695286_100000718602 [1,0,0,0,0,0|3,0,0]=4 513 B14R1.14 CCCCCOCc1ccc(cc1)Br 7a_100000210253_100011217064 [1,0,0,0,0,0|3,0,0]=4 514 B14R1.14 CCCCCOCc1ccc(cc1)C 34a_100000210253_100000210814 [1,0,0,0,0,0|3,0,0]=4 515 B14R1.14 CCCCCOCc1ccc(cc1)C 34a_100011215236_100000718602 [1,0,0,0,0,0|3,0,0]=4 516 B14R1.14 CCCCCOCc1ccc(cc1)C 7a_100000210253_100000210814 [1,0,0,0,0,0|3,0,0]=4 517 B14R1.14 CCCCCOCc1ccc(cc1)C 7a_100011215236_100000210326 [1,0,0,0,0,0|3,0,0]=4 518 B14R1.14 CCCCCOCc1ccc(cc1)Cl 34a_100000210253_100000694040 [1,0,0,0,0,0|3,0,0]=4 519 B14R1.14 CCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000718602 [1,0,0,0,0,0|3,0,0]=4 520 B14R1.14 CCCCCOCc1ccc(cc1)Cl 7a_100000210253_100000187161 [1,0,0,0,0,0|3,0,0]=4 521 B14R1.14 CCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210326 [1,0,0,0,0,0|3,0,0]=4 522 B14R1.14 CCCCCOCc1ccc(cc1)F 34a_100000210253_100000198546 [1,0,0,0,0,0|3,0,0]=4 523 B14R1.14 CCCCCOCc1ccc(cc1)F 34a_100000210977_100000718602 [1,0,0,0,0,0|3,0,0]=4 524 B14R1.14 CCCCCOCc1ccc(cc1)F 7a_100000210253_100000198546 [1,0,0,0,0,0|3,0,0]=4 525 B14R1.14 CCCCCOCc1ccc(cc1)F 7a_100000210977_100000210326 [1,0,0,0,0,0|3,0,0]=4 526 B14R1.14 CCCCCOCc1ccc(cc1)I 34a_100000210253_100000189116 [1,0,0,0,0,0|3,0,0]=4 527 B14R1.14 CCCCCOCc1ccc(cc1)I 34a_100000690907_100000718602 [1,0,0,0,0,0|3,0,0]=4 528 B14R1.14 CCCCCOCc1ccc(cc1)I 7a_100000210253_100000189116 [1,0,0,0,0,0|3,0,0]=4 529 B14R1.14 CCCCCOCc1ccc(cc1)I 7a_100000690907_100000210326 [1,0,0,0,0,0|3,0,0]=4 530 B14R1.14 CCCCCOCc1ccc(cc1)N 34a_100011215238_100000718602 [1,0,0,0,0,0|3,0,0]=4 531 B14R1.14 CCCCCSCc1ccc(cc1)Br 62a_100000189115_100000210326 [1,0,0,0,0,0|3,0,0]=4 532 B14R1.14 CCCCCSCc1ccc(cc1)Br 62a_100000210326_100000189115 [1,0,0,0,0,0|3,0,0]=4 533 B14R1.14 CCCCCSCc1ccc(cc1)C 62a_100000210326_100000210814 [1,0,0,0,0,0|3,0,0]=4 534 B14R1.14 CCCCCSCc1ccc(cc1)C 62a_100000210814_100000210326 [1,0,0,0,0,0|3,0,0]=4 535 B14R1.14 CCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210326 [1,0,0,0,0,0|3,0,0]=4 536 B14R1.14 CCCCCSCc1ccc(cc1)Cl 62a_100000210326_100000187161 [1,0,0,0,0,0|3,0,0]=4 537 B14R1.14 CCCCCSCc1ccc(cc1)F 62a_100000198546_100000210326 [1,0,0,0,0,0|3,0,0]=4 538 B14R1.14 CCCCCSCc1ccc(cc1)F 62a_100000210326_100000187164 [1,0,0,0,0,0|3,0,0]=4 539 B14R1.14 CCCCCSCc1ccc(cc1)I 62a_100000189116_100000210326 [1,0,0,0,0,0|3,0,0]=4 540 B14R1.14 CCCCCSCc1ccc(cc1)I 62a_100000210326_100000189116 [1,0,0,0,0,0|3,0,0]=4 541 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000102301_100011740612 [1,0,0,0,0,0|1,0,0]=2 542 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210211 [1,0,0,0,0,0|1,0,0]=2 543 B14R1.14 CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000210210 [1,0,0,0,0,0|1,0,0]=2 544 B14R1.14 CCCCNCCc1ccc(cc1)Br 7a_106832991798_100011740612 [1,0,0,0,0,0|1,0,0]=2 545 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000102301_100011713686 [1,0,0,0,0,0|1,0,0]=2 546 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210211 [1,0,0,0,0,0|1,0,0]=2 547 B14R1.14 CCCCNCCc1ccc(cc1)C 34a_100000705350_100000210210 [1,0,0,0,0,0|1,0,0]=2 548 B14R1.14 CCCCNCCc1ccc(cc1)C 7a_106832991798_100011713686 [1,0,0,0,0,0|1,0,0]=2 549 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000102301_100011713675 [1,0,0,0,0,0|1,0,0]=2 550 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210211 [1,0,0,0,0,0|1,0,0]=2 551 B14R1.14 CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210210 [1,0,0,0,0,0|1,0,0]=2 552 B14R1.14 CCCCNCCc1ccc(cc1)Cl 7a_106832991798_100011713675 [1,0,0,0,0,0|1,0,0]=2 553 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000102301_100011217392 [1,0,0,0,0,0|1,0,0]=2 554 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210211 [1,0,0,0,0,0|1,0,0]=2 555 B14R1.14 CCCCNCCc1ccc(cc1)F 34a_100000199005_100000210210 [1,0,0,0,0,0|1,0,0]=2 556 B14R1.14 CCCCNCCc1ccc(cc1)F 7a_106832991798_100011217392 [1,0,0,0,0,0|1,0,0]=2 557 B14R1.14 CCCCNCCc1ccc(cc1)O 2230a_100000102301_100009816426 [1,0,0,0,0,0|0,0,0]=1 558 B14R1.14 CCCCNCCc1ccc(cc1)O 34a_100000743037_100000210210 [1,0,0,0,0,0|0,0,0]=1 559 B14R1.14 CCCCNCCc1ccc(cc1)O 7a_106832991798_100009816426 [1,0,0,0,0,0|0,0,0]=1 560 B14R1.14 CCCCNN=Cc1ccc(cc1)Br 4a_100025702795_100000186029 [1,0,0,0,0,0|2,0,1]=4 561 B14R1.14 CCCCNN=Cc1ccc(cc1)C 4a_100025702795_100000211033 [1,0,0,0,0,0|2,0,1]=4 562 B14R1.14 CCCCNN=Cc1ccc(cc1)Cl 4a_100025702795_100000189385 [1,0,0,0,0,0|2,0,1]=4 563 B14R1.14 CCCCNN=Cc1ccc(cc1)F 4a_100025702795_100000210084 [1,0,0,0,0,0|2,0,1]=4 564 B14R1.14 CCCCNN=Cc1ccc(cc1)I 4a_100025702795_100000188517 [1,0,0,0,0,0|2,0,1]=4 565 B14R1.14 CCCCNN=Cc1ccc(cc1)O 4a_100025702795_100000185832 [1,0,0,0,0,0|1,0,1]=3 566 B14R1.14 CCCCNN=Cc1ccc(cn1)O 4a_100025702795_100000059846 [1,0,0,0,0,0|2,0,1]=4 567 B14R1.14 CCCCNN=Cc1ccc(nc1)O 4a_100025702795_100011361521 [1,0,0,0,0,0|2,0,1]=4 568 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000210227_100011740612 [1,0,0,0,0,0|2,0,0]=3 569 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000766406_100000210210 [1,0,0,0,0,0|2,0,0]=3 570 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000210227_100011740612 [1,0,0,0,0,0|2,0,0]=3 571 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210211 [1,0,0,0,0,0|2,0,0]=3 572 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000210227_100011713686 [1,0,0,0,0,0|2,0,0]=3 573 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000756670_100000210210 [1,0,0,0,0,0|2,0,0]=3 574 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000210227_100011713686 [1,0,0,0,0,0|2,0,0]=3 575 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000756670_100000210211 [1,0,0,0,0,0|2,0,0]=3 576 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100000210227_100011713675 [1,0,0,0,0,0|2,0,0]=3 577 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210210 [1,0,0,0,0,0|2,0,0]=3 578 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100000210227_100011713675 [1,0,0,0,0,0|2,0,0]=3 579 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210211 [1,0,0,0,0,0|2,0,0]=3 580 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000210227_100011217392 [1,0,0,0,0,0|2,0,0]=3 581 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000754732_100000210210 [1,0,0,0,0,0|2,0,0]=3 582 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000210227_100011217392 [1,0,0,0,0,0|2,0,0]=3 583 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000754732_100000210211 [1,0,0,0,0,0|2,0,0]=3 584 B14R1.14 CCCCOCCc1ccc(cc1)I 34a_100012291149_100000210210 [1,0,0,0,0,0|2,0,0]=3 585 B14R1.14 CCCCOCCc1ccc(cc1)I 7a_100012291149_100000210211 [1,0,0,0,0,0|2,0,0]=3 586 B14R1.14 CCCCOCCc1ccc(cc1)N 34a_100011204434_100000210210 [1,0,0,0,0,0|2,0,0]=3 587 B14R1.14 CCCCOCCc1ccc(cc1)O 7a_100000210227_100009816426 [1,0,0,0,0,0|1,0,0]=2 588 B14R1.14 CCCCOCCc1ccc(cn1)Br 34a_100012357577_100000210210 [1,0,0,0,0,0|3,0,0]=4 589 B14R1.14 CCCCOCCc1ccc(nc1)C 34a_100011815783_100000210210 [1,0,0,0,0,0|3,0,0]=4 590 B14R1.14 CCCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210210 [1,0,0,0,0,0|3,0,0]=4 591 B14R1.14 CCCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210211 [1,0,0,0,0,0|3,0,0]=4 592 B14R1.14 CCCCOCNc1ccc(cc1)Br 2230a_100000210018_100011995733 [1,0,0,0,0,0|3,0,0]=4 593 B14R1.14 CCCCOCNc1ccc(cc1)Br 34a_100000210018_100011995733 [1,0,0,0,0,0|3,0,0]=4 594 B14R1.14 CCCCOCNc1ccc(cc1)C 34a_100000124888_100011995733 [1,0,0,0,0,0|3,0,0]=4 595 B14R1.14 CCCCOCNc1ccc(cc1)Cl 2230a_100000210052_100011995733 [1,0,0,0,0,0|3,0,0]=4 596 B14R1.14 CCCCOCNc1ccc(cc1)Cl 34a_100000210052_100011995733 [1,0,0,0,0,0|3,0,0]=4 597 B14R1.14 CCCCOCNc1ccc(cc1)F 34a_100000185862_100011995733 [1,0,0,0,0,0|3,0,0]=4 598 B14R1.14 CCCCOCNc1ccc(cc1)I 34a_100000185761_100011995733 [1,0,0,0,0,0|3,0,0]=4 599 B14R1.14 CCCCOCNc1ccc(cc1)O 34a_100000185829_100011995733 [1,0,0,0,0,0|2,0,0]=3 600 B14R1.14 CCCCOCOc1ccc(cc1)Br 34a_100000185759_100011995733 [1,0,0,0,0,0|3,0,0]=4 601 B14R1.14 CCCCOCOc1ccc(cc1)C 34a_100000210336_100011995733 [1,0,0,0,0,0|3,0,0]=4 602 B14R1.14 CCCCOCOc1ccc(cc1)Cl 34a_100000210216_100011995733 [1,0,0,0,0,0|3,0,0]=4 603 B14R1.14 CCCCOCOc1ccc(cc1)F 34a_100000210339_100011995733 [1,0,0,0,0,0|3,0,0]=4 604 B14R1.14 CCCCOCOc1ccc(cc1)I 34a_100000212066_100011995733 [1,0,0,0,0,0|3,0,0]=4 605 B14R1.14 CCCCOCOc1ccc(cc1)N 34a_100000185829_100011995733 [1,0,0,0,0,0|3,0,0]=4 606 B14R1.14 CCCCOCSc1ccc(cc1)Br 62a_100000752885_100011995733 [1,0,0,0,0,0|3,0,0]=4 607 B14R1.14 CCCCOCSc1ccc(cc1)Br 62a_100011995733_100000752885 [1,0,0,0,0,0|3,0,0]=4 608 B14R1.14 CCCCOCSc1ccc(cc1)C 62a_100000186775_100011995733 [1,0,0,0,0,0|3,0,0]=4 609 B14R1.14 CCCCOCSc1ccc(cc1)C 62a_100011995733_100000186775 [1,0,0,0,0,0|3,0,0]=4 610 B14R1.14 CCCCOCSc1ccc(cc1)Cl 62a_100000755918_100011995733 [1,0,0,0,0,0|3,0,0]=4 611 B14R1.14 CCCCOCSc1ccc(cc1)Cl 62a_100011995733_100000755918 [1,0,0,0,0,0|3,0,0]=4 612 B14R1.14 CCCCOCSc1ccc(cc1)F 62a_100000211213_100011995733 [1,0,0,0,0,0|3,0,0]=4 613 B14R1.14 CCCCOCSc1ccc(cc1)F 62a_100011995733_100000211213 [1,0,0,0,0,0|3,0,0]=4 614 B14R1.14 CCCCOCSc1ccc(cc1)N 62a_100000185761_100011995733 [1,0,0,0,0,0|3,0,0]=4 615 B14R1.14 CCCCOCSc1ccc(cc1)N 62a_100011995733_100000185761 [1,0,0,0,0,0|3,0,0]=4 616 B14R1.14 CCCCOCSc1ccc(cc1)O 62a_100011995733_100000185759 [1,0,0,0,0,0|2,0,0]=3 617 B14R1.14 CCCCOCSc1ccc(cn1)O 62a_100000685995_100011995733 [1,0,0,0,0,0|3,0,0]=4 618 B14R1.14 CCCCOCSc1ccc(cn1)O 62a_100011995733_100000744096 [1,0,0,0,0,0|3,0,0]=4 619 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100000210211_100011740612 [1,0,0,0,0,0|2,0,0]=3 620 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210210 [1,0,0,0,0,0|2,0,0]=3 621 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100000210211_100011713686 [1,0,0,0,0,0|2,0,0]=3 622 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100011713686_100000210210 [1,0,0,0,0,0|2,0,0]=3 623 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100000210211_100011713675 [1,0,0,0,0,0|2,0,0]=3 624 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210210 [1,0,0,0,0,0|2,0,0]=3 625 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100000210211_100011217392 [1,0,0,0,0,0|2,0,0]=3 626 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100011217392_100000210210 [1,0,0,0,0,0|2,0,0]=3 627 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100000210211_100009816426 [1,0,0,0,0,0|1,0,0]=2 628 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100009816426_100000210210 [1,0,0,0,0,0|1,0,0]=2 629 B14R1.14 CCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210303 [1,0,0,0,0,0|3,0,0]=4 630 B14R1.14 CCCNCCCc1ccc(cc1)Br 34a_100011297623_100000210303 [1,0,0,0,0,0|3,0,0]=4 631 B14R1.14 CCCNCCCc1ccc(cc1)C 2230a_100011236272_100000210303 [1,0,0,0,0,0|3,0,0]=4 632 B14R1.14 CCCNCCCc1ccc(cc1)C 34a_100011236272_100000210303 [1,0,0,0,0,0|3,0,0]=4 633 B14R1.14 CCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210303 [1,0,0,0,0,0|3,0,0]=4 634 B14R1.14 CCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210303 [1,0,0,0,0,0|3,0,0]=4 635 B14R1.14 CCCNCCCc1ccc(cc1)F 2230a_100025745824_100000210303 [1,0,0,0,0,0|3,0,0]=4 636 B14R1.14 CCCNCCCc1ccc(cc1)F 34a_100025745824_100000210303 [1,0,0,0,0,0|3,0,0]=4 637 B14R1.14 CCCOCCCc1ccc(cc1)Br 34a_100000210258_100011713682 [1,0,0,0,0,0|3,0,0]=4 638 B14R1.14 CCCOCCCc1ccc(cc1)Br 34a_100011709247_100000210303 [1,0,0,0,0,0|3,0,0]=4 639 B14R1.14 CCCOCCCc1ccc(cc1)Br 7a_100011709247_100000210303 [1,0,0,0,0,0|3,0,0]=4 640 B14R1.14 CCCOCCCc1ccc(cc1)C 34a_100000189427_100000210303 [1,0,0,0,0,0|3,0,0]=4 641 B14R1.14 CCCOCCCc1ccc(cc1)C 7a_100000189427_100000210303 [1,0,0,0,0,0|3,0,0]=4 642 B14R1.14 CCCOCCCc1ccc(cc1)Cl 34a_100000210258_100000759440 [1,0,0,0,0,0|3,0,0]=4 643 B14R1.14 CCCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210303 [1,0,0,0,0,0|3,0,0]=4 644 B14R1.14 CCCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210303 [1,0,0,0,0,0|3,0,0]=4 645 B14R1.14 CCCOCCCc1ccc(cc1)F 34a_100000210258_200011713563 [1,0,0,0,0,0|3,0,0]=4 646 B14R1.14 CCCOCCCc1ccc(cc1)F 34a_100000757351_100000210303 [1,0,0,0,0,0|3,0,0]=4 647 B14R1.14 CCCOCCCc1ccc(cc1)F 7a_100000757351_100000210303 [1,0,0,0,0,0|3,0,0]=4 648 B14R1.14 CCCOCCNc1ccc(cc1)O 34a_100000185829_100011215938 [1,0,0,0,0,0|3,0,0]=4 649 B14R1.14 CCCOCCSc1ccc(cc1)O 62a_100011215938_100000185759 [1,0,0,0,0,0|3,0,0]=4 650 B14R1.14 CCCSCCCc1ccc(cc1)Br 62a_100000210303_100011713682 [1,0,0,0,0,0|3,0,0]=4 651 B14R1.14 CCCSCCCc1ccc(cc1)Br 62a_100011713682_100000210303 [1,0,0,0,0,0|3,0,0]=4 652 B14R1.14 CCCSCCCc1ccc(cc1)Cl 62a_100000210303_100000759440 [1,0,0,0,0,0|3,0,0]=4 653 B14R1.14 CCCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210303 [1,0,0,0,0,0|3,0,0]=4 654 B14R1.14 CCCSCCCc1ccc(cc1)F 62a_100000210303_200011713563 [1,0,0,0,0,0|3,0,0]=4 655 B14R1.14 CCCSCCCc1ccc(cc1)F 62a_200011713563_100000210303 [1,0,0,0,0,0|3,0,0]=4 656 B14R1.14 CCNCCCCc1ccc(cc1)Br 2230a_100015525214_200012094861 [1,0,0,0,0,0|3,0,0]=4 657 B14R1.14 CCNCCCCc1ccc(cc1)Cl 2230a_100160821348_100000210202 [1,0,0,0,0,0|3,0,0]=4 658 B14R1.14 CCNCCCCc1ccc(cc1)Cl 34a_100160821348_100000210202 [1,0,0,0,0,0|3,0,0]=4 659 B14R1.14 CCNCCCCc1ccc(cc1)F 2230a_100015525214_100012093538 [1,0,0,0,0,0|3,0,0]=4 660 B14R1.14 CCNN=CCCc1ccc(cc1)O 4a_100000756455_200011361653 [1,0,0,0,0,0|3,0,0]=4 661 B14R1.14 CCOCCCCc1ccc(cc1)Br 34a_100121572206_200012094861 [1,0,0,0,0,0|3,0,0]=4 662 B14R1.14 CCOCCCCc1ccc(cc1)F 34a_100121572206_100012093538 [1,0,0,0,0,0|3,0,0]=4 663 B14R1.14 CCOCCCNc1ccc(cc1)O 34a_100000185829_100012232248 [1,0,0,0,0,0|3,0,0]=4 664 B14R1.14 CCOCCCSc1ccc(cc1)O 62a_100012232248_100000185759 [1,0,0,0,0,0|3,0,0]=4 665 B14R1.14 CCOCCNCc1ccc(cc1)O 34a_100000185549_100000210147 [1,0,0,0,0,0|3,0,0]=4 666 B14R1.14 CCOCSCCc1ccc(cc1)Br 62a_100000739092_100011740612 [1,0,0,0,0,0|3,0,0]=4 667 B14R1.14 CCOCSCCc1ccc(cc1)Br 62a_100011740612_100000739092 [1,0,0,0,0,0|3,0,0]=4 668 B14R1.14 CCOCSCCc1ccc(cc1)C 62a_100000739092_100011713686 [1,0,0,0,0,0|3,0,0]=4 669 B14R1.14 CCOCSCCc1ccc(cc1)C 62a_100011713686_100000739092 [1,0,0,0,0,0|3,0,0]=4 670 B14R1.14 CCOCSCCc1ccc(cc1)Cl 62a_100000739092_100011713675 [1,0,0,0,0,0|3,0,0]=4 671 B14R1.14 CCOCSCCc1ccc(cc1)Cl 62a_100011713675_100000739092 [1,0,0,0,0,0|3,0,0]=4 672 B14R1.14 CCOCSCCc1ccc(cc1)F 62a_100000739092_100011217392 [1,0,0,0,0,0|3,0,0]=4 673 B14R1.14 CCOCSCCc1ccc(cc1)F 62a_100011217392_100000739092 [1,0,0,0,0,0|3,0,0]=4 674 B14R1.14 CCOCSCCc1ccc(cc1)O 62a_100000739092_100009816426 [1,0,0,0,0,0|2,0,0]=3 675 B14R1.14 CCOCSCCc1ccc(cc1)O 62a_100009816426_100000739092 [1,0,0,0,0,0|2,0,0]=3 676 B14R1.14 CCSCCCCc1ccc(cc1)Br 62a_100000210202_200012094861 [1,0,0,0,0,0|3,0,0]=4 677 B14R1.14 CCSCCCCc1ccc(cc1)Br 62a_200012094861_100000210202 [1,0,0,0,0,0|3,0,0]=4 678 B14R1.14 CCSCCCCc1ccc(cc1)F 62a_100000210202_100012093538 [1,0,0,0,0,0|3,0,0]=4 679 B14R1.14 CCSCCCCc1ccc(cc1)F 62a_100012093538_100000210202 [1,0,0,0,0,0|3,0,0]=4 680 B14R1.14 CCSCCNCc1ccc(cc1)O 34a_100000185549_100000757381 [1,0,0,0,0,0|3,0,0]=4 681 B14R1.14 COCCCCNc1ccc(cc1)O 34a_100000185829_100000755781 [1,0,0,0,0,0|3,0,0]=4 682 B14R1.14 COCCCCSc1ccc(cc1)O 62a_100000730899_100000185759 [1,0,0,0,0,0|3,0,0]=4 683 B14R1.14 COCCCNCc1ccc(cc1)O 34a_100000185549_100000740836 [1,0,0,0,0,0|3,0,0]=4 684 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000209980_100011740612 [1,0,0,0,0,0|2,0,0]=3 685 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000755846_100011201679 [1,0,0,0,0,0|2,0,0]=3 686 B14R1.14 COCCNCCc1ccc(cc1)Br 34a_100000755846_100011201679 [1,0,0,0,0,0|2,0,0]=3 687 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000209980_100011713686 [1,0,0,0,0,0|2,0,0]=3 688 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000705350_100011201679 [1,0,0,0,0,0|2,0,0]=3 689 B14R1.14 COCCNCCc1ccc(cc1)C 34a_100000705350_100011201679 [1,0,0,0,0,0|2,0,0]=3 690 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011201679 [1,0,0,0,0,0|2,0,0]=3 691 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000209980_100011713675 [1,0,0,0,0,0|2,0,0]=3 692 B14R1.14 COCCNCCc1ccc(cc1)Cl 34a_100000185265_100011201679 [1,0,0,0,0,0|2,0,0]=3 693 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000199005_100011201679 [1,0,0,0,0,0|2,0,0]=3 694 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000209980_100011217392 [1,0,0,0,0,0|2,0,0]=3 695 B14R1.14 COCCNCCc1ccc(cc1)F 34a_100000199005_100011201679 [1,0,0,0,0,0|2,0,0]=3 696 B14R1.14 COCCNCCc1ccc(cc1)O 2230a_100000209980_100009816426 [1,0,0,0,0,0|1,0,0]=2 697 B14R1.14 COCCNCCc1ccc(cc1)O 34a_100000743037_100011201679 [1,0,0,0,0,0|1,0,0]=2 698 B14R1.14 COCCOCCc1ccc(cc1)Br 34a_100000210237_100011740612 [1,0,0,0,0,0|3,0,0]=4 699 B14R1.14 COCCOCCc1ccc(cc1)Br 34a_100000766406_100011201679 [1,0,0,0,0,0|3,0,0]=4 700 B14R1.14 COCCOCCc1ccc(cc1)Br 7a_100000766406_100000233755 [1,0,0,0,0,0|3,0,0]=4 701 B14R1.14 COCCOCCc1ccc(cc1)C 34a_100000210237_100011713686 [1,0,0,0,0,0|3,0,0]=4 702 B14R1.14 COCCOCCc1ccc(cc1)C 34a_100000756670_100011201679 [1,0,0,0,0,0|3,0,0]=4 703 B14R1.14 COCCOCCc1ccc(cc1)C 7a_100000756670_100000233755 [1,0,0,0,0,0|3,0,0]=4 704 B14R1.14 COCCOCCc1ccc(cc1)Cl 34a_100000210237_100011713675 [1,0,0,0,0,0|3,0,0]=4 705 B14R1.14 COCCOCCc1ccc(cc1)Cl 34a_100011219627_100011201679 [1,0,0,0,0,0|3,0,0]=4 706 B14R1.14 COCCOCCc1ccc(cc1)Cl 7a_100011219627_100000233755 [1,0,0,0,0,0|3,0,0]=4 707 B14R1.14 COCCOCCc1ccc(cc1)F 34a_100000210237_100011217392 [1,0,0,0,0,0|3,0,0]=4 708 B14R1.14 COCCOCCc1ccc(cc1)F 34a_100000754732_100011201679 [1,0,0,0,0,0|3,0,0]=4 709 B14R1.14 COCCOCCc1ccc(cc1)F 7a_100000754732_100000233755 [1,0,0,0,0,0|3,0,0]=4 710 B14R1.14 COCCOCCc1ccc(cc1)I 34a_100012291149_100011201679 [1,0,0,0,0,0|3,0,0]=4 711 B14R1.14 COCCOCCc1ccc(cc1)I 7a_100012291149_100000233755 [1,0,0,0,0,0|3,0,0]=4 712 B14R1.14 COCCOCCc1ccc(cc1)N 34a_100011204434_100011201679 [1,0,0,0,0,0|3,0,0]=4 713 B14R1.14 COCCOCSc1ccc(cc1)O 62a_100000231047_100000185759 [1,0,0,0,0,0|3,0,0]=4 714 B14R1.14 COCCSCCc1ccc(cc1)Br 62a_100000233755_100011740612 [1,0,0,0,0,0|3,0,0]=4 715 B14R1.14 COCCSCCc1ccc(cc1)Br 62a_100011740612_100000233755 [1,0,0,0,0,0|3,0,0]=4 716 B14R1.14 COCCSCCc1ccc(cc1)C 62a_100000233755_100011713686 [1,0,0,0,0,0|3,0,0]=4 717 B14R1.14 COCCSCCc1ccc(cc1)C 62a_100011713686_100000233755 [1,0,0,0,0,0|3,0,0]=4 718 B14R1.14 COCCSCCc1ccc(cc1)Cl 62a_100000233755_100011713675 [1,0,0,0,0,0|3,0,0]=4 719 B14R1.14 COCCSCCc1ccc(cc1)Cl 62a_100011713675_100000233755 [1,0,0,0,0,0|3,0,0]=4 720 B14R1.14 COCCSCCc1ccc(cc1)F 62a_100000233755_100011217392 [1,0,0,0,0,0|3,0,0]=4 721 B14R1.14 COCCSCCc1ccc(cc1)F 62a_100011217392_100000233755 [1,0,0,0,0,0|3,0,0]=4 722 B14R1.14 COCCSCCc1ccc(cc1)O 62a_100000233755_100009816426 [1,0,0,0,0,0|2,0,0]=3 723 B14R1.14 COCCSCCc1ccc(cc1)O 62a_100009816426_100000233755 [1,0,0,0,0,0|2,0,0]=3 724 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100000755846_100000751147 [1,0,0,0,0,0|2,0,0]=3 725 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100020590264_100011740612 [1,0,0,0,0,0|2,0,0]=3 726 B14R1.14 CSCCNCCc1ccc(cc1)Br 34a_100000755846_100000212216 [1,0,0,0,0,0|2,0,0]=3 727 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100000705350_100000751147 [1,0,0,0,0,0|2,0,0]=3 728 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100020590264_100011713686 [1,0,0,0,0,0|2,0,0]=3 729 B14R1.14 CSCCNCCc1ccc(cc1)C 34a_100000705350_100000212216 [1,0,0,0,0,0|2,0,0]=3 730 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000751147 [1,0,0,0,0,0|2,0,0]=3 731 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100020590264_100011713675 [1,0,0,0,0,0|2,0,0]=3 732 B14R1.14 CSCCNCCc1ccc(cc1)Cl 34a_100000185265_100000212216 [1,0,0,0,0,0|2,0,0]=3 733 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100000199005_100000751147 [1,0,0,0,0,0|2,0,0]=3 734 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100020590264_100011217392 [1,0,0,0,0,0|2,0,0]=3 735 B14R1.14 CSCCNCCc1ccc(cc1)F 34a_100000199005_100000212216 [1,0,0,0,0,0|2,0,0]=3 736 B14R1.14 CSCCNCCc1ccc(cc1)O 2230a_100020590264_100009816426 [1,0,0,0,0,0|1,0,0]=2 737 B14R1.14 CSCCNCCc1ccc(cc1)O 34a_100000743037_100000212216 [1,0,0,0,0,0|1,0,0]=2 738 B14R1.14 CSCCOCCc1ccc(cc1)Br 34a_100000230434_100011740612 [1,0,0,0,0,0|3,0,0]=4 739 B14R1.14 CSCCOCCc1ccc(cc1)Br 34a_100000766406_100000212216 [1,0,0,0,0,0|3,0,0]=4 740 B14R1.14 CSCCOCCc1ccc(cc1)Br 7a_100000230434_100011740612 [1,0,0,0,0,0|3,0,0]=4 741 B14R1.14 CSCCOCCc1ccc(cc1)Br 7a_100000766406_100000212216 [1,0,0,0,0,0|3,0,0]=4 742 B14R1.14 CSCCOCCc1ccc(cc1)C 34a_100000230434_100011713686 [1,0,0,0,0,0|3,0,0]=4 743 B14R1.14 CSCCOCCc1ccc(cc1)C 34a_100000756670_100000212216 [1,0,0,0,0,0|3,0,0]=4 744 B14R1.14 CSCCOCCc1ccc(cc1)C 7a_100000230434_100011713686 [1,0,0,0,0,0|3,0,0]=4 745 B14R1.14 CSCCOCCc1ccc(cc1)C 7a_100000756670_100000212216 [1,0,0,0,0,0|3,0,0]=4 746 B14R1.14 CSCCOCCc1ccc(cc1)Cl 34a_100000230434_100011713675 [1,0,0,0,0,0|3,0,0]=4 747 B14R1.14 CSCCOCCc1ccc(cc1)Cl 34a_100011219627_100000212216 [1,0,0,0,0,0|3,0,0]=4 748 B14R1.14 CSCCOCCc1ccc(cc1)Cl 7a_100000230434_100011713675 [1,0,0,0,0,0|3,0,0]=4 749 B14R1.14 CSCCOCCc1ccc(cc1)Cl 7a_100011219627_100000212216 [1,0,0,0,0,0|3,0,0]=4 750 B14R1.14 CSCCOCCc1ccc(cc1)F 34a_100000230434_100011217392 [1,0,0,0,0,0|3,0,0]=4 751 B14R1.14 CSCCOCCc1ccc(cc1)F 34a_100000754732_100000212216 [1,0,0,0,0,0|3,0,0]=4 752 B14R1.14 CSCCOCCc1ccc(cc1)F 7a_100000230434_100011217392 [1,0,0,0,0,0|3,0,0]=4 753 B14R1.14 CSCCOCCc1ccc(cc1)F 7a_100000754732_100000212216 [1,0,0,0,0,0|3,0,0]=4 754 B14R1.14 CSCCOCCc1ccc(cc1)I 34a_100012291149_100000212216 [1,0,0,0,0,0|3,0,0]=4 755 B14R1.14 CSCCOCCc1ccc(cc1)I 7a_100012291149_100000212216 [1,0,0,0,0,0|3,0,0]=4 756 B14R1.14 CSCCOCCc1ccc(cc1)N 34a_100011204434_100000212216 [1,0,0,0,0,0|3,0,0]=4 757 B14R1.14 CSCCOCCc1ccc(cc1)O 7a_100000230434_100009816426 [1,0,0,0,0,0|2,0,0]=3 758 B14R1.14 CSCCSCCc1ccc(cc1)Br 62a_100000212216_100011740612 [1,0,0,0,0,0|3,0,0]=4 759 B14R1.14 CSCCSCCc1ccc(cc1)Br 62a_100011740612_100000751147 [1,0,0,0,0,0|3,0,0]=4 760 B14R1.14 CSCCSCCc1ccc(cc1)C 62a_100000212216_100011713686 [1,0,0,0,0,0|3,0,0]=4 761 B14R1.14 CSCCSCCc1ccc(cc1)C 62a_100011713686_100000751147 [1,0,0,0,0,0|3,0,0]=4 762 B14R1.14 CSCCSCCc1ccc(cc1)Cl 62a_100000212216_100011713675 [1,0,0,0,0,0|3,0,0]=4 763 B14R1.14 CSCCSCCc1ccc(cc1)Cl 62a_100011713675_100000751147 [1,0,0,0,0,0|3,0,0]=4 764 B14R1.14 CSCCSCCc1ccc(cc1)F 62a_100000212216_100011217392 [1,0,0,0,0,0|3,0,0]=4 765 B14R1.14 CSCCSCCc1ccc(cc1)F 62a_100011217392_100000751147 [1,0,0,0,0,0|3,0,0]=4 766 B14R1.14 CSCCSCCc1ccc(cc1)O 62a_100000212216_100009816426 [1,0,0,0,0,0|2,0,0]=3 767 B14R1.14 CSCCSCCc1ccc(cc1)O 62a_100009816426_100000751147 [1,0,0,0,0,0|2,0,0]=3 768 B14R1.14 Cc1ccc(cc1)CCNCCC#N 2230a_100000705350_100011215226 [1,0,0,0,0,0|2,0,1]=4 769 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100000705350_100011934791 [1,0,0,0,0,0|2,0,0]=3 770 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100015189416_100011713686 [1,0,0,0,0,0|2,0,0]=3 771 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100000705350_100011934791 [1,0,0,0,0,0|2,0,0]=3 772 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100015189416_100011713686 [1,0,0,0,0,0|2,0,0]=3 773 B14R1.14 Cc1ccc(cc1)CCNCCCO 2230a_100000705350_100000230001 [1,0,0,0,0,0|2,0,0]=3 774 B14R1.14 Cc1ccc(cc1)CCNCCCO 34a_100000705350_100000230001 [1,0,0,0,0,0|2,0,0]=3 775 B14R1.14 Cc1ccc(cc1)CCOCCCBr 34a_100011217188_100011713686 [1,0,0,0,0,0|3,0,0]=4 776 B14R1.14 Cc1ccc(cc1)CCOCCCCl 34a_100000230001_100011713686 [1,0,0,0,0,0|3,0,0]=4 777 B14R1.14 Cc1ccc(cc1)CCOCCCF 34a_100000756670_100011934791 [1,0,0,0,0,0|3,0,0]=4 778 B14R1.14 Cc1ccc(cc1)CCOCCCF 34a_100000759539_100011713686 [1,0,0,0,0,0|3,0,0]=4 779 B14R1.14 Cc1ccc(cc1)CCOCCCF 7a_100000756670_100011934791 [1,0,0,0,0,0|3,0,0]=4 780 B14R1.14 Cc1ccc(cc1)CCOCCCN 34a_100000182051_100011713686 [1,0,0,0,0,0|3,0,0]=4 781 B14R1.14 Cc1ccc(cc1)CCOCCCO 34a_100000756670_100000230001 [1,0,0,0,0,0|3,0,0]=4 782 B14R1.14 Cc1ccc(cc1)CCOCCCO 7a_100000756670_100011215043 [1,0,0,0,0,0|3,0,0]=4 783 B14R1.14 Cc1ccc(cc1)CCSCCCF 62a_100011713686_100011934791 [1,0,0,0,0,0|3,0,0]=4 784 B14R1.14 Cc1ccc(cc1)CCSCCCF 62a_100011934791_100011713686 [1,0,0,0,0,0|3,0,0]=4 785 B14R1.14 Cc1ccc(cc1)CCSCCCO 62a_100011215043_100011713686 [1,0,0,0,0,0|3,0,0]=4 786 B14R1.14 Cc1ccc(cc1)CCSCCCO 62a_100011713686_100011215043 [1,0,0,0,0,0|3,0,0]=4 787 B14R1.14 ClCCCOCCc1ccc(cc1)Br 34a_100000230001_100011740612 [1,0,0,0,0,0|3,0,0]=4 788 B14R1.14 ClCCCOCCc1ccc(cc1)Cl 34a_100000230001_100011713675 [1,0,0,0,0,0|3,0,0]=4 789 B14R1.14 Clc1ccc(cc1)CCOCCCBr 34a_100011217188_100011713675 [1,0,0,0,0,0|3,0,0]=4 790 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100000755846_100011934791 [1,0,0,0,0,0|2,0,0]=3 791 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100015189416_100011740612 [1,0,0,0,0,0|2,0,0]=3 792 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100000755846_100011934791 [1,0,0,0,0,0|2,0,0]=3 793 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100015189416_100011740612 [1,0,0,0,0,0|2,0,0]=3 794 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011934791 [1,0,0,0,0,0|2,0,0]=3 795 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100015189416_100011713675 [1,0,0,0,0,0|2,0,0]=3 796 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100000185265_100011934791 [1,0,0,0,0,0|2,0,0]=3 797 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100015189416_100011713675 [1,0,0,0,0,0|2,0,0]=3 798 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100000199005_100011934791 [1,0,0,0,0,0|2,0,0]=3 799 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100015189416_100011217392 [1,0,0,0,0,0|2,0,0]=3 800 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100000199005_100011934791 [1,0,0,0,0,0|2,0,0]=3 801 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100015189416_100011217392 [1,0,0,0,0,0|2,0,0]=3 802 B14R1.14 FCCCOCCc1ccc(cc1)Br 34a_100000759539_100011740612 [1,0,0,0,0,0|3,0,0]=4 803 B14R1.14 FCCCOCCc1ccc(cc1)Br 34a_100000766406_100011934791 [1,0,0,0,0,0|3,0,0]=4 804 B14R1.14 FCCCOCCc1ccc(cc1)Br 7a_100000766406_100011934791 [1,0,0,0,0,0|3,0,0]=4 805 B14R1.14 FCCCOCCc1ccc(cc1)Cl 34a_100000759539_100011713675 [1,0,0,0,0,0|3,0,0]=4 806 B14R1.14 FCCCOCCc1ccc(cc1)Cl 34a_100011219627_100011934791 [1,0,0,0,0,0|3,0,0]=4 807 B14R1.14 FCCCOCCc1ccc(cc1)Cl 7a_100011219627_100011934791 [1,0,0,0,0,0|3,0,0]=4 808 B14R1.14 FCCCOCCc1ccc(cc1)F 34a_100000754732_100011934791 [1,0,0,0,0,0|3,0,0]=4 809 B14R1.14 FCCCOCCc1ccc(cc1)F 34a_100000759539_100011217392 [1,0,0,0,0,0|3,0,0]=4 810 B14R1.14 FCCCOCCc1ccc(cc1)F 7a_100000754732_100011934791 [1,0,0,0,0,0|3,0,0]=4 811 B14R1.14 FCCCOCCc1ccc(cc1)I 34a_100012291149_100011934791 [1,0,0,0,0,0|3,0,0]=4 812 B14R1.14 FCCCOCCc1ccc(cc1)I 7a_100012291149_100011934791 [1,0,0,0,0,0|3,0,0]=4 813 B14R1.14 FCCCSCCc1ccc(cc1)Br 62a_100011740612_100011934791 [1,0,0,0,0,0|3,0,0]=4 814 B14R1.14 FCCCSCCc1ccc(cc1)Br 62a_100011934791_100011740612 [1,0,0,0,0,0|3,0,0]=4 815 B14R1.14 FCCCSCCc1ccc(cc1)Cl 62a_100011713675_100011934791 [1,0,0,0,0,0|3,0,0]=4 816 B14R1.14 FCCCSCCc1ccc(cc1)Cl 62a_100011934791_100011713675 [1,0,0,0,0,0|3,0,0]=4 817 B14R1.14 FCCCSCCc1ccc(cc1)F 62a_100011217392_100011934791 [1,0,0,0,0,0|3,0,0]=4 818 B14R1.14 FCCCSCCc1ccc(cc1)F 62a_100011934791_100011217392 [1,0,0,0,0,0|3,0,0]=4 819 B14R1.14 Fc1ccc(cc1)CCOCCCBr 34a_100011217188_100011217392 [1,0,0,0,0,0|3,0,0]=4 820 B14R1.14 Fc1ccc(cc1)CCOCCCCl 34a_100000230001_100011217392 [1,0,0,0,0,0|3,0,0]=4 821 B14R1.14 N#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100011215226 [1,0,0,0,0,0|2,0,1]=4 822 B14R1.14 N#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215226 [1,0,0,0,0,0|2,0,1]=4 823 B14R1.14 N#CCCNCCc1ccc(cc1)F 2230a_100000199005_100011215226 [1,0,0,0,0,0|2,0,1]=4 824 B14R1.14 N#CCCSCCc1ccc(cc1)O 62a_100009816426_100011215226 [1,0,0,0,0,0|2,0,1]=4 825 B14R1.14 N#CCCSCCc1ccc(cc1)O 62a_100011215226_100009816426 [1,0,0,0,0,0|2,0,1]=4 826 B14R1.14 NCCCOCCc1ccc(cc1)Br 34a_100000182051_100011740612 [1,0,0,0,0,0|3,0,0]=4 827 B14R1.14 NCCCOCCc1ccc(cc1)Cl 34a_100000182051_100011713675 [1,0,0,0,0,0|3,0,0]=4 828 B14R1.14 NCCCOCCc1ccc(cc1)F 34a_100000182051_100011217392 [1,0,0,0,0,0|3,0,0]=4 829 B14R1.14 Nc1ccc(cc1)CCOCCCF 34a_100011204434_100011934791 [1,0,0,0,0,0|3,0,0]=4 830 B14R1.14 Nc1ccc(cc1)CCOCCCO 34a_100011204434_100000230001 [1,0,0,0,0,0|3,0,0]=4 831 B14R1.14 OCCCCCNc1ccc(cc1)O 34a_100000185829_100000746330 [1,0,0,0,0,0|3,0,0]=4 832 B14R1.14 OCCCCCSc1ccc(cc1)O 62a_100000746330_100000185759 [1,0,0,0,0,0|3,0,0]=4 833 B14R1.14 OCCCCNCc1ccc(cc1)O 34a_100000185549_100011216708 [1,0,0,0,0,0|3,0,0]=4 834 B14R1.14 OCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000230001 [1,0,0,0,0,0|2,0,0]=3 835 B14R1.14 OCCCNCCc1ccc(cc1)Br 34a_100000755846_100000230001 [1,0,0,0,0,0|2,0,0]=3 836 B14R1.14 OCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000230001 [1,0,0,0,0,0|2,0,0]=3 837 B14R1.14 OCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000230001 [1,0,0,0,0,0|2,0,0]=3 838 B14R1.14 OCCCNCCc1ccc(cc1)F 2230a_100000199005_100000230001 [1,0,0,0,0,0|2,0,0]=3 839 B14R1.14 OCCCNCCc1ccc(cc1)F 34a_100000199005_100000230001 [1,0,0,0,0,0|2,0,0]=3 840 B14R1.14 OCCCNCCc1ccc(cc1)O 34a_100000743037_100000230001 [1,0,0,0,0,0|1,0,0]=2 841 B14R1.14 OCCCOCCc1ccc(cc1)Br 34a_100000766406_100000230001 [1,0,0,0,0,0|3,0,0]=4 842 B14R1.14 OCCCOCCc1ccc(cc1)Br 7a_100000766406_100011215043 [1,0,0,0,0,0|3,0,0]=4 843 B14R1.14 OCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000230001 [1,0,0,0,0,0|3,0,0]=4 844 B14R1.14 OCCCOCCc1ccc(cc1)Cl 7a_100011219627_100011215043 [1,0,0,0,0,0|3,0,0]=4 845 B14R1.14 OCCCOCCc1ccc(cc1)F 34a_100000754732_100000230001 [1,0,0,0,0,0|3,0,0]=4 846 B14R1.14 OCCCOCCc1ccc(cc1)F 7a_100000754732_100011215043 [1,0,0,0,0,0|3,0,0]=4 847 B14R1.14 OCCCOCCc1ccc(cc1)I 34a_100012291149_100000230001 [1,0,0,0,0,0|3,0,0]=4 848 B14R1.14 OCCCOCCc1ccc(cc1)I 7a_100012291149_100011215043 [1,0,0,0,0,0|3,0,0]=4 849 B14R1.14 OCCCSCCc1ccc(cc1)Br 62a_100011215043_100011740612 [1,0,0,0,0,0|3,0,0]=4 850 B14R1.14 OCCCSCCc1ccc(cc1)Br 62a_100011740612_100011215043 [1,0,0,0,0,0|3,0,0]=4 851 B14R1.14 OCCCSCCc1ccc(cc1)Cl 62a_100011215043_100011713675 [1,0,0,0,0,0|3,0,0]=4 852 B14R1.14 OCCCSCCc1ccc(cc1)Cl 62a_100011713675_100011215043 [1,0,0,0,0,0|3,0,0]=4 853 B14R1.14 OCCCSCCc1ccc(cc1)F 62a_100011215043_100011217392 [1,0,0,0,0,0|3,0,0]=4 854 B14R1.14 OCCCSCCc1ccc(cc1)F 62a_100011217392_100011215043 [1,0,0,0,0,0|3,0,0]=4 855 B14R1.14 OCCCSCCc1ccc(cc1)O 62a_100009816426_100011215043 [1,0,0,0,0,0|2,0,0]=3 856 B14R1.14 OCCCSCCc1ccc(cc1)O 62a_100011215043_100009816426 [1,0,0,0,0,0|2,0,0]=3 857 B14R1.14 Oc1ccc(cc1)CCNCCCF 2230a_100015189416_100009816426 [1,0,0,0,0,0|1,0,0]=2 858 B14R1.14 Oc1ccc(cc1)CCNCCCF 34a_100000743037_100011934791 [1,0,0,0,0,0|1,0,0]=2 859 B14R1.14 Oc1ccc(cc1)CCSCCCF 62a_100009816426_100011934791 [1,0,0,0,0,0|2,0,0]=3 860 B14R1.14 Oc1ccc(cc1)CCSCCCF 62a_100011934791_100009816426 [1,0,0,0,0,0|2,0,0]=3 861 B14R1.14 Oc1ccc(cc1)CNCCCCF 34a_100000185549_100000729493 [1,0,0,0,0,0|3,0,0]=4 862 B14R1.14 Oc1ccc(cc1)NCCCCCF 34a_100000185829_100000729378 [1,0,0,0,0,0|3,0,0]=4 863 B14R1.14 Oc1ccc(cc1)SCCCCCF 62a_100000729378_100000185759 [1,0,0,0,0,0|3,0,0]=4 864 B14R1.19 C#CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000688953 [1,0,0,0,0,0|1,0,2]=4 865 B14R1.19 C#CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000184674 [1,0,0,0,0,0|1,0,2]=4 866 B14R1.19 C#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000038162 [1,0,0,0,0,0|1,0,2]=4 867 B14R1.19 C#CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000184674 [1,0,0,0,0,0|1,0,2]=4 868 B14R1.19 C#CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000038162 [1,0,0,0,0,0|1,0,2]=4 869 B14R1.19 C#CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000184674 [1,0,0,0,0,0|1,0,2]=4 870 B14R1.19 C#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000038162 [1,0,0,0,0,0|1,0,2]=4 871 B14R1.19 C#CCNCC(O)c1ccc(cc1)Cl 34a_100000212058_200011996143 [1,0,0,0,0,0|1,0,2]=4 872 B14R1.19 C#CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000184674 [1,0,0,0,0,0|1,0,2]=4 873 B14R1.19 C#CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000184674 [1,0,0,0,0,0|0,0,2]=3 874 B14R1.19 C#CCNC[C@H](O)c1ccc(cc1)F 34a_100000212058_100000720402 [1,0,0,0,0,0|1,0,2]=4 875 B14R1.19 C=CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000754431 [1,0,0,0,0,0|1,0,2]=4 876 B14R1.19 C=CCNCC(C)c1ccc(cc1)O 34a_200015188644_100015514636 [1,0,0,0,0,0|1,0,2]=4 877 B14R1.19 C=CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210623 [1,0,0,0,0,0|1,0,2]=4 878 B14R1.19 C=CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100015514636 [1,0,0,0,0,0|1,0,2]=4 879 B14R1.19 C=CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210623 [1,0,0,0,0,0|1,0,2]=4 880 B14R1.19 C=CCNCC(O)c1ccc(cc1)C 34a_200020610344_100015514636 [1,0,0,0,0,0|1,0,2]=4 881 B14R1.19 C=CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210623 [1,0,0,0,0,0|1,0,2]=4 882 B14R1.19 C=CCNCC(O)c1ccc(cc1)Cl 2230a_100020586998_200011996143 [1,0,0,0,0,0|1,0,2]=4 883 B14R1.19 C=CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100015514636 [1,0,0,0,0,0|1,0,2]=4 884 B14R1.19 C=CCNCC(O)c1ccc(cc1)O 34a_100000067596_100015514636 [1,0,0,0,0,0|0,0,2]=3 885 B14R1.19 C=CCNC[C@H](O)c1ccc(cc1)F 2230a_100020586998_100000720402 [1,0,0,0,0,0|1,0,2]=4 886 B14R1.19 CC#CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000748600 [1,0,0,0,0,0|1,0,2]=4 887 B14R1.19 CC(CNCC=O)c1ccc(cc1)O 34a_200015188644_200009817547 [1,0,0,0,0,0|2,0,1]=4 888 B14R1.19 CC(CNCCF)c1ccc(cc1)O 34a_200015188644_100011217306 [1,0,0,0,0,0|2,0,0]=3 889 B14R1.19 CC(CNCCO)c1ccc(cc1)O 34a_200015188644_100000211926 [1,0,0,0,0,0|2,0,0]=3 890 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 2230a_100015189416_100000755118 [1,0,0,0,0,0|3,0,0]=4 891 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 269862a_100015189416_100000185794 [1,0,0,0,0,0|3,0,0]=4 892 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 34a_100015189416_100000755118 [1,0,0,0,0,0|3,0,0]=4 893 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 2230a_100015189416_100000684792 [1,0,0,0,0,0|3,0,0]=4 894 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 269862a_100015189416_100000185797 [1,0,0,0,0,0|3,0,0]=4 895 B14R1.19 CC(NCCCF)c1ccc(cc1)F 2230a_100015189416_100000743420 [1,0,0,0,0,0|3,0,0]=4 896 B14R1.19 CC(NCCCF)c1ccc(cc1)F 269862a_100015189416_100000185800 [1,0,0,0,0,0|3,0,0]=4 897 B14R1.19 CC(NCCCF)c1ccc(cc1)F 34a_100015189416_100000743420 [1,0,0,0,0,0|3,0,0]=4 898 B14R1.19 CC(NCCCF)c1ccc(cc1)I 269862a_100015189416_100000185465 [1,0,0,0,0,0|3,0,0]=4 899 B14R1.19 CC(NCCCO)c1ccc(cc1)Br 269862a_100000182051_100000185794 [1,0,0,0,0,0|3,0,0]=4 900 B14R1.19 CC(NCCCO)c1ccc(cc1)Cl 269862a_100000182051_100000185797 [1,0,0,0,0,0|3,0,0]=4 901 B14R1.19 CC(NCCCO)c1ccc(cc1)F 269862a_100000182051_100000185800 [1,0,0,0,0,0|3,0,0]=4 902 B14R1.19 CC(NCCCO)c1ccc(cc1)I 269862a_100000182051_100000185465 [1,0,0,0,0,0|3,0,0]=4 903 B14R1.19 CC=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000070051 [1,0,0,0,0,0|1,0,2]=4 904 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [1,0,0,0,0,0|1,0,2]=4 905 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [1,0,0,0,0,0|1,0,2]=4 906 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [1,0,0,0,0,0|1,0,2]=4 907 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [1,0,0,0,0,0|1,0,2]=4 908 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [1,0,0,0,0,0|1,0,2]=4 909 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [1,0,0,0,0,0|0,0,2]=3 910 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [1,0,0,0,0,0|0,0,2]=3 911 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210326 [1,0,0,0,0,0|3,0,0]=4 912 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210215 [1,0,0,0,0,0|3,0,0]=4 913 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000718602 [1,0,0,0,0,0|3,0,0]=4 914 B14R1.19 CCCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210326 [1,0,0,0,0,0|3,0,0]=4 915 B14R1.19 CCCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210215 [1,0,0,0,0,0|3,0,0]=4 916 B14R1.19 CCCCCN(C)c1ccc(cc1)C 34a_100000219977_100000718602 [1,0,0,0,0,0|3,0,0]=4 917 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210326 [1,0,0,0,0,0|3,0,0]=4 918 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210215 [1,0,0,0,0,0|3,0,0]=4 919 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000718602 [1,0,0,0,0,0|3,0,0]=4 920 B14R1.19 CCCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210326 [1,0,0,0,0,0|3,0,0]=4 921 B14R1.19 CCCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210215 [1,0,0,0,0,0|3,0,0]=4 922 B14R1.19 CCCCCN(C)c1ccc(cc1)F 34a_100000219829_100000718602 [1,0,0,0,0,0|3,0,0]=4 923 B14R1.19 CCCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210326 [1,0,0,0,0,0|3,0,0]=4 924 B14R1.19 CCCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210215 [1,0,0,0,0,0|3,0,0]=4 925 B14R1.19 CCCCCN(C)c1ccc(cc1)I 34a_100000743151_100000718602 [1,0,0,0,0,0|3,0,0]=4 926 B14R1.19 CCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210215 [1,0,0,0,0,0|2,0,0]=3 927 B14R1.19 CCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000718602 [1,0,0,0,0,0|2,0,0]=3 928 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 11a_100000102301_100000185839 [1,0,0,0,0,0|1,0,2]=4 929 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 1626a_100000102301_100000185839 [1,0,0,0,0,0|1,0,2]=4 930 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 240690a_100000102301_100000185839 [1,0,0,0,0,0|1,0,2]=4 931 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 527a_100000102301_100000185839 [1,0,0,0,0,0|1,0,2]=4 932 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 11a_100000102301_100000188618 [1,0,0,0,0,0|1,0,2]=4 933 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 1626a_100000102301_100000188618 [1,0,0,0,0,0|1,0,2]=4 934 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 240690a_100000102301_100000188618 [1,0,0,0,0,0|1,0,2]=4 935 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 527a_100000102301_100000188618 [1,0,0,0,0,0|1,0,2]=4 936 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 11a_100000102301_100000210187 [1,0,0,0,0,0|1,0,2]=4 937 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 1626a_100000102301_100000210187 [1,0,0,0,0,0|1,0,2]=4 938 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 240690a_100000102301_100000210187 [1,0,0,0,0,0|1,0,2]=4 939 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 527a_100000102301_100000210187 [1,0,0,0,0,0|1,0,2]=4 940 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 11a_100000102301_100000187176 [1,0,0,0,0,0|1,0,2]=4 941 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 1626a_100000102301_100000187176 [1,0,0,0,0,0|1,0,2]=4 942 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 240690a_100000102301_100000187176 [1,0,0,0,0,0|1,0,2]=4 943 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 527a_100000102301_100000187176 [1,0,0,0,0,0|1,0,2]=4 944 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 11a_100000102301_100000187904 [1,0,0,0,0,0|1,0,2]=4 945 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 1626a_100000102301_100000187904 [1,0,0,0,0,0|1,0,2]=4 946 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 240690a_100000102301_100000187904 [1,0,0,0,0,0|1,0,2]=4 947 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 527a_100000102301_100000187904 [1,0,0,0,0,0|1,0,2]=4 948 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 240690a_100000102301_100000212099 [1,0,0,0,0,0|0,0,2]=3 949 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000154866 [1,0,0,0,0,0|0,0,2]=3 950 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 527a_100000102301_100000212099 [1,0,0,0,0,0|0,0,2]=3 951 B14R1.19 CCCCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781281 [1,0,0,0,0,0|1,0,2]=4 952 B14R1.19 CCCCNC(C)c1cc[n+](cc1)[O-] 269862a_100000102301_100000076990 [1,0,0,0,0,0|2,0,1]=4 953 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 2230a_100000102301_100000755118 [1,0,0,0,0,0|2,0,0]=3 954 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 269862a_100000102301_100000185794 [1,0,0,0,0,0|2,0,0]=3 955 B14R1.19 CCCCNC(C)c1ccc(cc1)C 2230a_100000102301_100011261388 [1,0,0,0,0,0|2,0,0]=3 956 B14R1.19 CCCCNC(C)c1ccc(cc1)C 269862a_100000102301_100000185793 [1,0,0,0,0,0|2,0,0]=3 957 B14R1.19 CCCCNC(C)c1ccc(cc1)C 7a_106832991798_100011261388 [1,0,0,0,0,0|2,0,0]=3 958 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 2230a_100000102301_100000684792 [1,0,0,0,0,0|2,0,0]=3 959 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 269862a_100000102301_100000185797 [1,0,0,0,0,0|2,0,0]=3 960 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 7a_106832991798_100000684792 [1,0,0,0,0,0|2,0,0]=3 961 B14R1.19 CCCCNC(C)c1ccc(cc1)F 2230a_100000102301_100000743420 [1,0,0,0,0,0|2,0,0]=3 962 B14R1.19 CCCCNC(C)c1ccc(cc1)F 269862a_100000102301_100000185800 [1,0,0,0,0,0|2,0,0]=3 963 B14R1.19 CCCCNC(C)c1ccc(cc1)F 7a_106832991798_100000743420 [1,0,0,0,0,0|2,0,0]=3 964 B14R1.19 CCCCNC(C)c1ccc(cc1)I 269862a_100000102301_100000185465 [1,0,0,0,0,0|2,0,0]=3 965 B14R1.19 CCCCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210211 [1,0,0,0,0,0|3,0,0]=4 966 B14R1.19 CCCCNC(C)c1ccc(cn1)Br 269862a_100000102301_100000686046 [1,0,0,0,0,0|3,0,0]=4 967 B14R1.19 CCCCNC(C)c1ccc(cn1)Br 270004a_100000102301_100000686046 [1,0,0,0,0,0|3,0,0]=4 968 B14R1.19 CCCCNC(C)c1ccc(cn1)C 269862a_100000102301_100000084104 [1,0,0,0,0,0|3,0,0]=4 969 B14R1.19 CCCCNC(C)c1ccc(cn1)C 270004a_100000102301_100000084104 [1,0,0,0,0,0|3,0,0]=4 970 B14R1.19 CCCCNC(C)c1ccc(cn1)Cl 269862a_100000102301_100000692432 [1,0,0,0,0,0|3,0,0]=4 971 B14R1.19 CCCCNC(C)c1ccc(cn1)Cl 270004a_100000102301_100000692432 [1,0,0,0,0,0|3,0,0]=4 972 B14R1.19 CCCCNC(C)c1ccc(cn1)F 269862a_100000102301_100102946652 [1,0,0,0,0,0|3,0,0]=4 973 B14R1.19 CCCCNC(C)c1ccc(cn1)F 270004a_100000102301_100102946652 [1,0,0,0,0,0|3,0,0]=4 974 B14R1.19 CCCCNC(C)c1ccc(nc1)Br 269862a_100000102301_100000684857 [1,0,0,0,0,0|3,0,0]=4 975 B14R1.19 CCCCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210211 [1,0,0,0,0,0|3,0,0]=4 976 B14R1.19 CCCCNC(C)c1ccc(nc1)C 269862a_100000102301_100011280547 [1,0,0,0,0,0|3,0,0]=4 977 B14R1.19 CCCCNC(C)c1ccc(nc1)C 34a_100011815741_100000210210 [1,0,0,0,0,0|3,0,0]=4 978 B14R1.19 CCCCNC(C)c1ccc(nc1)Cl 269862a_100000102301_100000690552 [1,0,0,0,0,0|3,0,0]=4 979 B14R1.19 CCCCNC(C)c1ccc(nc1)F 269862a_100000102301_100000085738 [1,0,0,0,0,0|3,0,0]=4 980 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210211 [1,0,0,0,0,0|2,0,0]=3 981 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210210 [1,0,0,0,0,0|2,0,0]=3 982 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210211 [1,0,0,0,0,0|2,0,0]=3 983 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210211 [1,0,0,0,0,0|1,0,0]=2 984 B14R1.19 CCCCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210211 [1,0,0,0,0,0|3,0,0]=4 985 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210211 [1,0,0,0,0,0|2,0,0]=3 986 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210211 [1,0,0,0,0,0|2,0,0]=3 987 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210210 [1,0,0,0,0,0|2,0,0]=3 988 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210211 [1,0,0,0,0,0|2,0,0]=3 989 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210210 [1,0,0,0,0,0|2,0,0]=3 990 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000210227_100000755118 [1,0,0,0,0,0|3,0,0]=4 991 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210210 [1,0,0,0,0,0|3,0,0]=4 992 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210211 [1,0,0,0,0,0|3,0,0]=4 993 B14R1.19 CCCCOC(C)c1ccc(cc1)C 34a_100000210227_100011261388 [1,0,0,0,0,0|3,0,0]=4 994 B14R1.19 CCCCOC(C)c1ccc(cc1)C 7a_100000210227_100011261388 [1,0,0,0,0,0|3,0,0]=4 995 B14R1.19 CCCCOC(C)c1ccc(cc1)Cl 7a_100000210227_100000684792 [1,0,0,0,0,0|3,0,0]=4 996 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210210 [1,0,0,0,0,0|3,0,0]=4 997 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000210227_100000743420 [1,0,0,0,0,0|3,0,0]=4 998 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210211 [1,0,0,0,0,0|3,0,0]=4 999 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000210227_100000743420 [1,0,0,0,0,0|3,0,0]=4 1000 B14R1.19 CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210210 [1,0,0,0,0,0|3,0,0]=4 1001 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210210 [1,0,0,0,0,0|3,0,0]=4 1002 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210211 [1,0,0,0,0,0|3,0,0]=4 1003 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210210 [1,0,0,0,0,0|3,0,0]=4 1004 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210211 [1,0,0,0,0,0|3,0,0]=4 1005 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100000210211_100011261388 [1,0,0,0,0,0|3,0,0]=4 1006 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210210 [1,0,0,0,0,0|3,0,0]=4 1007 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000210211_100000684792 [1,0,0,0,0,0|3,0,0]=4 1008 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210210 [1,0,0,0,0,0|3,0,0]=4 1009 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000210211_100000743420 [1,0,0,0,0,0|3,0,0]=4 1010 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210210 [1,0,0,0,0,0|3,0,0]=4 1011 B14R1.19 CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210303 [1,0,0,0,0,0|1,0,0]=2 1012 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210303 [1,0,0,0,0,0|1,0,0]=2 1013 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210303 [1,0,0,0,0,0|1,0,0]=2 1014 B14R1.19 CCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210303 [1,0,0,0,0,0|1,0,0]=2 1015 B14R1.19 CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210303 [1,0,0,0,0,0|1,0,0]=2 1016 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210303 [1,0,0,0,0,0|1,0,0]=2 1017 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210303 [1,0,0,0,0,0|1,0,0]=2 1018 B14R1.19 CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210303 [1,0,0,0,0,0|0,0,0]=1 1019 B14R1.19 CCCNN=C(C)c1ccc(cc1)O 4a_100000740057_100000185113 [1,0,0,0,0,0|2,0,1]=4 1020 B14R1.19 CCCNNC(=O)c1ccc(cc1)O 22a_100000740057_100000212099 [1,0,0,0,0,0|1,0,2]=4 1021 B14R1.19 CCCOCC(=O)c1ccc(cc1)O 34a_100000210258_100009814261 [1,0,0,0,0,0|1,0,2]=4 1022 B14R1.19 CCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210303 [1,0,0,0,0,0|3,0,0]=4 1023 B14R1.19 CCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210303 [1,0,0,0,0,0|3,0,0]=4 1024 B14R1.19 CCCOCC(O)c1ccc(cc1)Cl 34a_100000210258_200011996143 [1,0,0,0,0,0|2,0,0]=3 1025 B14R1.19 CCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210303 [1,0,0,0,0,0|3,0,0]=4 1026 B14R1.19 CCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210303 [1,0,0,0,0,0|3,0,0]=4 1027 B14R1.19 CCCOC[C@H](O)c1ccc(cc1)F 34a_100000210258_100000720402 [1,0,0,0,0,0|2,0,0]=3 1028 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100000210303_100009814261 [1,0,0,0,0,0|1,0,2]=4 1029 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210303 [1,0,0,0,0,0|1,0,2]=4 1030 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_100000210303_200011996143 [1,0,0,0,0,0|2,0,0]=3 1031 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210303 [1,0,0,0,0,0|2,0,0]=3 1032 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000210303_100000720402 [1,0,0,0,0,0|2,0,0]=3 1033 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210303 [1,0,0,0,0,0|2,0,0]=3 1034 B14R1.19 CCNCCC(=O)c1ccc(cc1)O 2230a_100015525214_100009879949 [1,0,0,0,0,0|1,0,2]=4 1035 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215890 [1,0,0,0,0,0|1,0,2]=4 1036 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 271570a_203496583355_100018808408 [1,0,0,0,0,0|1,0,2]=4 1037 B14R1.19 CCOCCC(N)c1ccc(cc1)C 34a_100011661551_100000210202 [1,0,0,0,0,0|3,0,0]=4 1038 B14R1.19 CCOCCC(N)c1ccc(cc1)Cl 34a_100000730317_100000210202 [1,0,0,0,0,0|3,0,0]=4 1039 B14R1.19 CCOCCC(N)c1ccc(cc1)F 34a_100000752280_100000210202 [1,0,0,0,0,0|3,0,0]=4 1040 B14R1.19 CCOCCN(C)c1ccc(cc1)O 269982a_100000182112_100011215890 [1,0,0,0,0,0|3,0,0]=4 1041 B14R1.19 CCOCCN(C)c1ccc(cc1)O 34a_100000182112_100000210147 [1,0,0,0,0,0|3,0,0]=4 1042 B14R1.19 CCOCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_100000210202 [1,0,0,0,0,0|3,0,0]=4 1043 B14R1.19 CCOCC[C@H](N)c1ccc(cc1)N 34a_200020642056_100000210202 [1,0,0,0,0,0|3,0,0]=4 1044 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000757381 [1,0,0,0,0,0|1,0,2]=4 1045 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 62a_100000210202_100009879949 [1,0,0,0,0,0|1,0,2]=4 1046 B14R1.19 CCSCCN(C)c1ccc(cc1)O 269982a_100000182112_100000757381 [1,0,0,0,0,0|3,0,0]=4 1047 B14R1.19 CCSCCN(C)c1ccc(cc1)O 34a_100000182112_100000757381 [1,0,0,0,0,0|3,0,0]=4 1048 B14R1.19 CN(CCCCF)c1ccc(cc1)O 269982a_100000182112_100000729493 [1,0,0,0,0,0|3,0,0]=4 1049 B14R1.19 CN(CCCCF)c1ccc(cc1)O 34a_100000182112_100000729493 [1,0,0,0,0,0|3,0,0]=4 1050 B14R1.19 CN(CCCCO)c1ccc(cc1)O 269982a_100000182112_100000210776 [1,0,0,0,0,0|3,0,0]=4 1051 B14R1.19 CN(CCCCO)c1ccc(cc1)O 34a_100000182112_100011216708 [1,0,0,0,0,0|3,0,0]=4 1052 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 2230a_106832991635_100000039620 [1,0,0,0,0,0|1,0,2]=4 1053 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 7a_106832991635_100000039620 [1,0,0,0,0,0|1,0,2]=4 1054 B14R1.19 COCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000740836 [1,0,0,0,0,0|1,0,2]=4 1055 B14R1.19 COCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000740836 [1,0,0,0,0,0|3,0,0]=4 1056 B14R1.19 COCCCN(C)c1ccc(cc1)O 34a_100000182112_100000740836 [1,0,0,0,0,0|3,0,0]=4 1057 B14R1.19 COCCNC(=O)c1ccc(cc1)O 240690a_100000209980_100000212099 [1,0,0,0,0,0|1,0,2]=4 1058 B14R1.19 COCCNC(=O)c1ccc(cc1)O 527a_100000209980_100000212099 [1,0,0,0,0,0|1,0,2]=4 1059 B14R1.19 COCCNC(C)c1ccc(cc1)Br 2230a_100000209980_100000755118 [1,0,0,0,0,0|3,0,0]=4 1060 B14R1.19 COCCNC(C)c1ccc(cc1)Br 269862a_100000209980_100000185794 [1,0,0,0,0,0|3,0,0]=4 1061 B14R1.19 COCCNC(C)c1ccc(cc1)C 2230a_100000209980_100011261388 [1,0,0,0,0,0|3,0,0]=4 1062 B14R1.19 COCCNC(C)c1ccc(cc1)C 269862a_100000209980_100000185793 [1,0,0,0,0,0|3,0,0]=4 1063 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 2230a_100000209980_100000684792 [1,0,0,0,0,0|3,0,0]=4 1064 B14R1.19 COCCNC(C)c1ccc(cc1)Cl 269862a_100000209980_100000185797 [1,0,0,0,0,0|3,0,0]=4 1065 B14R1.19 COCCNC(C)c1ccc(cc1)F 2230a_100000209980_100000743420 [1,0,0,0,0,0|3,0,0]=4 1066 B14R1.19 COCCNC(C)c1ccc(cc1)F 269862a_100000209980_100000185800 [1,0,0,0,0,0|3,0,0]=4 1067 B14R1.19 COCCNC(C)c1ccc(cc1)I 269862a_100000209980_100000185465 [1,0,0,0,0,0|3,0,0]=4 1068 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011201679 [1,0,0,0,0,0|3,0,0]=4 1069 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011201679 [1,0,0,0,0,0|3,0,0]=4 1070 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011201679 [1,0,0,0,0,0|3,0,0]=4 1071 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011201679 [1,0,0,0,0,0|2,0,0]=3 1072 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011201679 [1,0,0,0,0,0|3,0,0]=4 1073 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011201679 [1,0,0,0,0,0|3,0,0]=4 1074 B14R1.19 COCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011201679 [1,0,0,0,0,0|3,0,0]=4 1075 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011201679 [1,0,0,0,0,0|3,0,0]=4 1076 B14R1.19 COCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011201679 [1,0,0,0,0,0|3,0,0]=4 1077 B14R1.19 COCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000766300 [1,0,0,0,0,0|2,0,0]=3 1078 B14R1.19 COCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000766300 [1,0,0,0,0,0|2,0,0]=3 1079 B14R1.19 COCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000766300 [1,0,0,0,0,0|2,0,0]=3 1080 B14R1.19 COCSCC(O)c1ccc(cc1)Cl 62a_100000766300_200011996143 [1,0,0,0,0,0|3,0,0]=4 1081 B14R1.19 COCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000766300 [1,0,0,0,0,0|3,0,0]=4 1082 B14R1.19 COCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000766300 [1,0,0,0,0,0|3,0,0]=4 1083 B14R1.19 COCSC[C@H](O)c1ccc(cc1)F 62a_100000766300_100000720402 [1,0,0,0,0,0|3,0,0]=4 1084 B14R1.19 CSCCCC(=O)c1ccc(cc1)O 62a_200000210301_100000039620 [1,0,0,0,0,0|1,0,2]=4 1085 B14R1.19 CSCCNC(=O)c1ccc(cc1)O 240690a_100020590264_100000212099 [1,0,0,0,0,0|1,0,2]=4 1086 B14R1.19 CSCCNC(=O)c1ccc(cc1)O 527a_100020590264_100000212099 [1,0,0,0,0,0|1,0,2]=4 1087 B14R1.19 CSCCNC(C)c1ccc(cc1)Br 2230a_100020590264_100000755118 [1,0,0,0,0,0|3,0,0]=4 1088 B14R1.19 CSCCNC(C)c1ccc(cc1)Br 269862a_100020590264_100000185794 [1,0,0,0,0,0|3,0,0]=4 1089 B14R1.19 CSCCNC(C)c1ccc(cc1)C 2230a_100020590264_100011261388 [1,0,0,0,0,0|3,0,0]=4 1090 B14R1.19 CSCCNC(C)c1ccc(cc1)C 269862a_100020590264_100000185793 [1,0,0,0,0,0|3,0,0]=4 1091 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 2230a_100020590264_100000684792 [1,0,0,0,0,0|3,0,0]=4 1092 B14R1.19 CSCCNC(C)c1ccc(cc1)Cl 269862a_100020590264_100000185797 [1,0,0,0,0,0|3,0,0]=4 1093 B14R1.19 CSCCNC(C)c1ccc(cc1)F 2230a_100020590264_100000743420 [1,0,0,0,0,0|3,0,0]=4 1094 B14R1.19 CSCCNC(C)c1ccc(cc1)F 269862a_100020590264_100000185800 [1,0,0,0,0,0|3,0,0]=4 1095 B14R1.19 CSCCNC(C)c1ccc(cc1)I 269862a_100020590264_100000185465 [1,0,0,0,0,0|3,0,0]=4 1096 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000751147 [1,0,0,0,0,0|3,0,0]=4 1097 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000212216 [1,0,0,0,0,0|3,0,0]=4 1098 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000751147 [1,0,0,0,0,0|3,0,0]=4 1099 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000751147 [1,0,0,0,0,0|2,0,0]=3 1100 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000751147 [1,0,0,0,0,0|3,0,0]=4 1101 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000751147 [1,0,0,0,0,0|3,0,0]=4 1102 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000212216 [1,0,0,0,0,0|3,0,0]=4 1103 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000751147 [1,0,0,0,0,0|3,0,0]=4 1104 B14R1.19 CSCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000212216 [1,0,0,0,0,0|3,0,0]=4 1105 B14R1.19 CSCNCC(C)c1ccc(cc1)O 34a_200015188644_100011218213 [1,0,0,0,0,0|2,0,0]=3 1106 B14R1.19 CSCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011218213 [1,0,0,0,0,0|2,0,0]=3 1107 B14R1.19 CSCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011218213 [1,0,0,0,0,0|2,0,0]=3 1108 B14R1.19 CSCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011218213 [1,0,0,0,0,0|2,0,0]=3 1109 B14R1.19 CSCNCC(O)c1ccc(cc1)C 34a_200020610344_100011218213 [1,0,0,0,0,0|2,0,0]=3 1110 B14R1.19 CSCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011218213 [1,0,0,0,0,0|2,0,0]=3 1111 B14R1.19 CSCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011218213 [1,0,0,0,0,0|2,0,0]=3 1112 B14R1.19 CSCNCC(O)c1ccc(cc1)O 34a_100000067596_100011218213 [1,0,0,0,0,0|1,0,0]=2 1113 B14R1.19 CSCSCC(O)c1ccc(cc1)Cl 62a_100011218213_200011996143 [1,0,0,0,0,0|3,0,0]=4 1114 B14R1.19 CSCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011218213 [1,0,0,0,0,0|3,0,0]=4 1115 B14R1.19 CSCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011218213 [1,0,0,0,0,0|3,0,0]=4 1116 B14R1.19 CSCSC[C@H](O)c1ccc(cc1)F 62a_100011218213_100000720402 [1,0,0,0,0,0|3,0,0]=4 1117 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Br 2230a_100000720352_100011934791 [1,0,0,0,0,0|3,0,0]=4 1118 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 2230a_100015205461_100011934791 [1,0,0,0,0,0|3,0,0]=4 1119 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 34a_100015205461_100011934791 [1,0,0,0,0,0|3,0,0]=4 1120 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Br 2230a_100000720352_100000230001 [1,0,0,0,0,0|3,0,0]=4 1121 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 2230a_100015205461_100000230001 [1,0,0,0,0,0|3,0,0]=4 1122 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 34a_100015205461_100000230001 [1,0,0,0,0,0|3,0,0]=4 1123 B14R1.19 C[C@H](NCCC#N)c1ccc(cc1)O 2230a_100161106496_100011215226 [1,0,0,0,0,0|2,0,1]=4 1124 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 2230a_100025705893_100011934791 [1,0,0,0,0,0|3,0,0]=4 1125 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 34a_100025705893_100011934791 [1,0,0,0,0,0|3,0,0]=4 1126 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)I 2230a_100000753911_100011934791 [1,0,0,0,0,0|3,0,0]=4 1127 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)O 2230a_100161106496_100011934791 [1,0,0,0,0,0|2,0,0]=3 1128 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 2230a_100025705893_100000230001 [1,0,0,0,0,0|3,0,0]=4 1129 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 34a_100025705893_100000230001 [1,0,0,0,0,0|3,0,0]=4 1130 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)I 2230a_100000753911_100000230001 [1,0,0,0,0,0|3,0,0]=4 1131 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)O 2230a_100161106496_100000230001 [1,0,0,0,0,0|2,0,0]=3 1132 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 2230a_100015189416_100011261388 [1,0,0,0,0,0|3,0,0]=4 1133 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 269862a_100015189416_100000185793 [1,0,0,0,0,0|3,0,0]=4 1134 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 34a_100015189416_100011261388 [1,0,0,0,0,0|3,0,0]=4 1135 B14R1.19 Cc1ccc(cc1)C(C)NCCCO 269862a_100000182051_100000185793 [1,0,0,0,0,0|3,0,0]=4 1136 B14R1.19 Cc1ccc(cc1)C(O)CNCC#N 2230a_200020610344_100011215382 [1,0,0,0,0,0|2,0,1]=4 1137 B14R1.19 Cc1ccc(cc1)C(O)CNCC=O 2230a_200020610344_200015260668 [1,0,0,0,0,0|2,0,1]=4 1138 B14R1.19 Cc1ccc(cc1)C(O)CNCC=O 34a_200020610344_200009817547 [1,0,0,0,0,0|2,0,1]=4 1139 B14R1.19 Cc1ccc(cc1)C(O)CNCCF 2230a_200020610344_100011217306 [1,0,0,0,0,0|2,0,0]=3 1140 B14R1.19 Cc1ccc(cc1)C(O)CNCCF 34a_200020610344_100011217306 [1,0,0,0,0,0|2,0,0]=3 1141 B14R1.19 Cc1ccc(cc1)C(O)CNCCO 2230a_200020610344_100000211926 [1,0,0,0,0,0|2,0,0]=3 1142 B14R1.19 Cc1ccc(cc1)C(O)CNCCO 34a_200020610344_100000211926 [1,0,0,0,0,0|2,0,0]=3 1143 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 2230a_100016988085_100011934791 [1,0,0,0,0,0|3,0,0]=4 1144 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 34a_100016988085_100011934791 [1,0,0,0,0,0|3,0,0]=4 1145 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 2230a_100016988085_100000230001 [1,0,0,0,0,0|3,0,0]=4 1146 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 34a_100016988085_100000230001 [1,0,0,0,0,0|3,0,0]=4 1147 B14R1.19 N#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215382 [1,0,0,0,0,0|2,0,1]=4 1148 B14R1.19 N#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215382 [1,0,0,0,0,0|2,0,1]=4 1149 B14R1.19 NCCOCC(O)c1ccc(cc1)Cl 34a_100000210304_200011996143 [1,0,0,0,0,0|3,0,0]=4 1150 B14R1.19 NCCOC[C@H](O)c1ccc(cc1)F 34a_100000210304_100000720402 [1,0,0,0,0,0|3,0,0]=4 1151 B14R1.19 O=C(CCCCF)c1ccc(cc1)O 1458a_100000212099_100000729493 [1,0,0,0,0,0|1,0,2]=4 1152 B14R1.19 O=C(CCCCO)c1ccc(cc1)O 1458a_100000212099_100000210776 [1,0,0,0,0,0|1,0,2]=4 1153 B14R1.19 O=C(CNCCF)c1ccc(cc1)O 34a_100000724931_100009814261 [1,0,0,0,0,0|1,0,2]=4 1154 B14R1.19 O=C(CNCCO)c1ccc(cc1)O 34a_100016990907_100009814261 [1,0,0,0,0,0|1,0,2]=4 1155 B14R1.19 O=C(NCCCF)c1ccc(cc1)O 240690a_100015189416_100000212099 [1,0,0,0,0,0|1,0,2]=4 1156 B14R1.19 O=C(NCCCF)c1ccc(cc1)O 527a_100015189416_100000212099 [1,0,0,0,0,0|1,0,2]=4 1157 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 240690a_100000182051_100000212099 [1,0,0,0,0,0|1,0,2]=4 1158 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 527a_100000182051_100000212099 [1,0,0,0,0,0|1,0,2]=4 1159 B14R1.19 O=CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200015260668 [1,0,0,0,0,0|2,0,1]=4 1160 B14R1.19 O=CCNCC(O)c1ccc(cc1)Br 34a_100020626992_200009817547 [1,0,0,0,0,0|2,0,1]=4 1161 B14R1.19 O=CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200015260668 [1,0,0,0,0,0|2,0,1]=4 1162 B14R1.19 O=CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_200009817547 [1,0,0,0,0,0|2,0,1]=4 1163 B14R1.19 O=CCNCC(O)c1ccc(cc1)O 34a_100000067596_200009817547 [1,0,0,0,0,0|1,0,1]=3 1164 B14R1.19 OC(CNCCF)c1ccc(cc1)Br 2230a_100020626992_100011217306 [1,0,0,0,0,0|2,0,0]=3 1165 B14R1.19 OC(CNCCF)c1ccc(cc1)Br 34a_100020626992_100011217306 [1,0,0,0,0,0|2,0,0]=3 1166 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 2230a_100000736658_100011217306 [1,0,0,0,0,0|2,0,0]=3 1167 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 34a_100000724931_200011996143 [1,0,0,0,0,0|2,0,0]=3 1168 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 34a_100000736658_100011217306 [1,0,0,0,0,0|2,0,0]=3 1169 B14R1.19 OC(COCCBr)c1ccc(cc1)Cl 34a_100000211926_200011996143 [1,0,0,0,0,0|3,0,0]=4 1170 B14R1.19 OC(CSCCF)c1ccc(cc1)Cl 62a_100011217306_200011996143 [1,0,0,0,0,0|3,0,0]=4 1171 B14R1.19 OC(CSCCF)c1ccc(cc1)Cl 62a_200011996143_100011217306 [1,0,0,0,0,0|3,0,0]=4 1172 B14R1.19 OCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000211926 [1,0,0,0,0,0|2,0,0]=3 1173 B14R1.19 OCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000211926 [1,0,0,0,0,0|2,0,0]=3 1174 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000211926 [1,0,0,0,0,0|2,0,0]=3 1175 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 2230a_100016997473_200011996143 [1,0,0,0,0,0|2,0,0]=3 1176 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000211926 [1,0,0,0,0,0|2,0,0]=3 1177 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 34a_100016990907_200011996143 [1,0,0,0,0,0|2,0,0]=3 1178 B14R1.19 OCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000211926 [1,0,0,0,0,0|1,0,0]=2 1179 B14R1.19 OCCNC[C@H](O)c1ccc(cc1)F 2230a_100016997473_100000720402 [1,0,0,0,0,0|2,0,0]=3 1180 B14R1.19 OCCNC[C@H](O)c1ccc(cc1)F 34a_100016990907_100000720402 [1,0,0,0,0,0|2,0,0]=3 1181 B14R1.19 OCCSCC(O)c1ccc(cc1)Cl 62a_100000211926_200011996143 [1,0,0,0,0,0|3,0,0]=4 1182 B14R1.19 OCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211926 [1,0,0,0,0,0|3,0,0]=4 1183 B14R1.19 OCCSC[C@H](O)c1ccc(cc1)F 62a_100000211926_100000720402 [1,0,0,0,0,0|3,0,0]=4 1184 B14R1.19 OCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211926 [1,0,0,0,0,0|3,0,0]=4 1185 B14R1.19 O[C@@H](CNCCF)c1ccc(cc1)F 34a_100000724931_100000720402 [1,0,0,0,0,0|2,0,0]=3 1186 B14R1.19 O[C@@H](COCCBr)c1ccc(cc1)F 34a_100000211926_100000720402 [1,0,0,0,0,0|3,0,0]=4 1187 B14R1.19 O[C@@H](CSCCF)c1ccc(cc1)F 62a_100000720402_100011217306 [1,0,0,0,0,0|3,0,0]=4 1188 B14R1.19 O[C@@H](CSCCF)c1ccc(cc1)F 62a_100011217306_100000720402 [1,0,0,0,0,0|3,0,0]=4 1189 B14R1.19 Oc1ccc(cc1)C(O)CNCCF 34a_100000067596_100011217306 [1,0,0,0,0,0|1,0,0]=2 1190 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)O 62a_200025704644_100000039620 [1,0,0,0,0,0|1,0,2]=4 1191 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 34a_217856618577_100000210210 [1,0,0,0,0,0|3,0,0]=4 1192 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 7a_217856618577_100000210211 [1,0,0,0,0,0|3,0,0]=4 1193 B14R1.38 C#CCCNCC(C)c1ccccc1 2230a_100000701038_100000688953 [1,0,0,0,0,0|1,0,2]=4 1194 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000701038_100000688953 [1,0,0,0,0,0|1,0,2]=4 1195 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000755551_100000756946 [1,0,0,0,0,0|1,0,2]=4 1196 B14R1.38 C#CCCNCC(O)c1ccccc1 2230a_100000210709_100000688953 [1,0,0,0,0,0|0,0,2]=3 1197 B14R1.38 C#CCCNCC(O)c1ccccc1 34a_100000755551_100000185958 [1,0,0,0,0,0|0,0,2]=3 1198 B14R1.38 C#CCCNCC(O)c1ccccn1 2230a_100000691469_100000688953 [1,0,0,0,0,0|1,0,2]=4 1199 B14R1.38 C#CCCNCC(O)c1cccnc1 2230a_100020605170_100000688953 [1,0,0,0,0,0|1,0,2]=4 1200 B14R1.38 C#CCCNC[C@@H](O)c1ccccc1 34a_100000755551_100011933945 [1,0,0,0,0,0|0,0,2]=3 1201 B14R1.38 C#CCCOCC(O)c1ccccc1 34a_100011215631_100000185958 [1,0,0,0,0,0|1,0,2]=4 1202 B14R1.38 C#CCCOC[C@@H](O)c1ccccc1 34a_100011215631_100011933945 [1,0,0,0,0,0|1,0,2]=4 1203 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000185958_100000688953 [1,0,0,0,0,0|1,0,2]=4 1204 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000688953_100000185958 [1,0,0,0,0,0|1,0,2]=4 1205 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100000688953_100011933945 [1,0,0,0,0,0|1,0,2]=4 1206 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000688953 [1,0,0,0,0,0|1,0,2]=4 1207 B14R1.38 C/C=C/CNCC(C)c1ccccc1 34a_100000701038_100102629194 [1,0,0,0,0,0|1,0,2]=4 1208 B14R1.38 C/C=C/COCC(O)c1ccccc1 34a_100016270725_100000185958 [1,0,0,0,0,0|1,0,2]=4 1209 B14R1.38 C/C=C/COC[C@@H](O)c1ccccc1 34a_100016270725_100011933945 [1,0,0,0,0,0|1,0,2]=4 1210 B14R1.38 C/C=C/CSCC(O)c1ccccc1 62a_100000185958_100102629194 [1,0,0,0,0,0|1,0,2]=4 1211 B14R1.38 C/C=C/CSCC(O)c1ccccc1 62a_100102629194_100000185958 [1,0,0,0,0,0|1,0,2]=4 1212 B14R1.38 C/C=C/CSC[C@@H](O)c1ccccc1 62a_100011933945_100102629194 [1,0,0,0,0,0|1,0,2]=4 1213 B14R1.38 C/C=C/CSC[C@@H](O)c1ccccc1 62a_100102629194_100011933945 [1,0,0,0,0,0|1,0,2]=4 1214 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100000701038_100000754431 [1,0,0,0,0,0|1,0,2]=4 1215 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100015191253_100000756946 [1,0,0,0,0,0|1,0,2]=4 1216 B14R1.38 C=CCCNCC(C)c1ccccc1 270004a_100015191253_100000212034 [1,0,0,0,0,0|1,0,2]=4 1217 B14R1.38 C=CCCNCC(C)c1ccccc1 34a_100000701038_100000754431 [1,0,0,0,0,0|1,0,2]=4 1218 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100000210709_100000754431 [1,0,0,0,0,0|0,0,2]=3 1219 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100015191253_100000185958 [1,0,0,0,0,0|0,0,2]=3 1220 B14R1.38 C=CCCNCC(O)c1ccccn1 2230a_100000691469_100000754431 [1,0,0,0,0,0|1,0,2]=4 1221 B14R1.38 C=CCCNCC(O)c1cccnc1 2230a_100020605170_100000754431 [1,0,0,0,0,0|1,0,2]=4 1222 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 2230a_100015191253_100011933945 [1,0,0,0,0,0|0,0,2]=3 1223 B14R1.38 C=CCCOCC(O)c1ccccc1 34a_100011205117_100000185958 [1,0,0,0,0,0|1,0,2]=4 1224 B14R1.38 C=CCCOC[C@@H](O)c1ccccc1 34a_100011205117_100011933945 [1,0,0,0,0,0|1,0,2]=4 1225 B14R1.38 C=CCCSCC(O)c1ccccc1 62a_100000185958_100000754431 [1,0,0,0,0,0|1,0,2]=4 1226 B14R1.38 C=CCCSCC(O)c1ccccc1 62a_100000754431_100000185958 [1,0,0,0,0,0|1,0,2]=4 1227 B14R1.38 C=CCCSC[C@@H](O)c1ccccc1 62a_100000754431_100011933945 [1,0,0,0,0,0|1,0,2]=4 1228 B14R1.38 C=CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000754431 [1,0,0,0,0,0|1,0,2]=4 1229 B14R1.38 CC#CCNCC(C)c1ccccc1 2230a_100000685387_100000756946 [1,0,0,0,0,0|1,0,2]=4 1230 B14R1.38 CC#CCNCC(C)c1ccccc1 2230a_100000701038_100000748600 [1,0,0,0,0,0|1,0,2]=4 1231 B14R1.38 CC#CCNCC(C)c1ccccc1 34a_100000685387_100000756946 [1,0,0,0,0,0|1,0,2]=4 1232 B14R1.38 CC#CCNCC(C)c1ccccc1 34a_100000701038_100000748600 [1,0,0,0,0,0|1,0,2]=4 1233 B14R1.38 CC#CCNCC(O)c1ccccc1 2230a_100000210709_100000748600 [1,0,0,0,0,0|0,0,2]=3 1234 B14R1.38 CC#CCNCC(O)c1ccccc1 2230a_100000685387_100000185958 [1,0,0,0,0,0|0,0,2]=3 1235 B14R1.38 CC#CCNCC(O)c1ccccc1 34a_100000685387_100000185958 [1,0,0,0,0,0|0,0,2]=3 1236 B14R1.38 CC#CCNCC(O)c1ccccn1 2230a_100000691469_100000748600 [1,0,0,0,0,0|1,0,2]=4 1237 B14R1.38 CC#CCNCC(O)c1cccnc1 2230a_100020605170_100000748600 [1,0,0,0,0,0|1,0,2]=4 1238 B14R1.38 CC#CCNC[C@@H](O)c1ccccc1 2230a_100000685387_100011933945 [1,0,0,0,0,0|0,0,2]=3 1239 B14R1.38 CC#CCNC[C@@H](O)c1ccccc1 34a_100000685387_100011933945 [1,0,0,0,0,0|0,0,2]=3 1240 B14R1.38 CC#CCOCC(O)c1ccccc1 34a_100000761923_100000185958 [1,0,0,0,0,0|1,0,2]=4 1241 B14R1.38 CC#CCOC[C@@H](O)c1ccccc1 34a_100000761923_100011933945 [1,0,0,0,0,0|1,0,2]=4 1242 B14R1.38 CC#CCSCC(O)c1ccccc1 62a_100000185958_100000748600 [1,0,0,0,0,0|1,0,2]=4 1243 B14R1.38 CC#CCSCC(O)c1ccccc1 62a_100000748600_100000185958 [1,0,0,0,0,0|1,0,2]=4 1244 B14R1.38 CC#CCSC[C@@H](O)c1ccccc1 62a_100000748600_100011933945 [1,0,0,0,0,0|1,0,2]=4 1245 B14R1.38 CC#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000748600 [1,0,0,0,0,0|1,0,2]=4 1246 B14R1.38 CC(CNCCC#N)c1ccccc1 2230a_100000701038_100011215226 [1,0,0,0,0,0|2,0,1]=4 1247 B14R1.38 CC(CNCCC#N)c1ccccc1 270004a_100000720768_100000212034 [1,0,0,0,0,0|2,0,1]=4 1248 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100000701038_100011934791 [1,0,0,0,0,0|2,0,0]=3 1249 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100015189416_100000756946 [1,0,0,0,0,0|2,0,0]=3 1250 B14R1.38 CC(CNCCCF)c1ccccc1 270004a_100015189416_100000212034 [1,0,0,0,0,0|2,0,0]=3 1251 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100000701038_100011934791 [1,0,0,0,0,0|2,0,0]=3 1252 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100015189416_100000756946 [1,0,0,0,0,0|2,0,0]=3 1253 B14R1.38 CC(CNCCCO)c1ccccc1 2230a_100000701038_100000230001 [1,0,0,0,0,0|2,0,0]=3 1254 B14R1.38 CC(CNCCCO)c1ccccc1 270004a_100000182051_100000212034 [1,0,0,0,0,0|2,0,0]=3 1255 B14R1.38 CC(CNCCCO)c1ccccc1 34a_100000701038_100000230001 [1,0,0,0,0,0|2,0,0]=3 1256 B14R1.38 CC(COCCCBr)c1ccccc1 34a_100011217188_100000756946 [1,0,0,0,0,0|3,0,0]=4 1257 B14R1.38 CC(COCCCCl)c1ccccc1 34a_100000230001_100000756946 [1,0,0,0,0,0|3,0,0]=4 1258 B14R1.38 CC(COCCCF)c1ccccc1 34a_100000759539_100000756946 [1,0,0,0,0,0|3,0,0]=4 1259 B14R1.38 CC(COCCCF)c1ccccc1 34a_100011215166_100011934791 [1,0,0,0,0,0|3,0,0]=4 1260 B14R1.38 CC(COCCCF)c1ccccc1 7a_100011215166_100011934791 [1,0,0,0,0,0|3,0,0]=4 1261 B14R1.38 CC(COCCCN)c1ccccc1 34a_100000182051_100000756946 [1,0,0,0,0,0|3,0,0]=4 1262 B14R1.38 CC(COCCCO)c1ccccc1 34a_100011215166_100000230001 [1,0,0,0,0,0|3,0,0]=4 1263 B14R1.38 CC(COCCCO)c1ccccc1 7a_100011215166_100011215043 [1,0,0,0,0,0|3,0,0]=4 1264 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100000756946_100011934791 [1,0,0,0,0,0|3,0,0]=4 1265 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100011934791_100000756946 [1,0,0,0,0,0|3,0,0]=4 1266 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100000756946_100011215043 [1,0,0,0,0,0|3,0,0]=4 1267 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100011215043_100000756946 [1,0,0,0,0,0|3,0,0]=4 1268 B14R1.38 CC=CCNCC(C)c1ccccc1 2230a_100000701038_100000070051 [1,0,0,0,0,0|1,0,2]=4 1269 B14R1.38 CC=CCNCC(C)c1ccccc1 34a_100000701038_100000070051 [1,0,0,0,0,0|1,0,2]=4 1270 B14R1.38 CC=CCNCC(O)c1ccccc1 2230a_100000210709_100000070051 [1,0,0,0,0,0|0,0,2]=3 1271 B14R1.38 CC=CCNCC(O)c1ccccn1 2230a_100000691469_100000070051 [1,0,0,0,0,0|1,0,2]=4 1272 B14R1.38 CC=CCNCC(O)c1cccnc1 2230a_100020605170_100000070051 [1,0,0,0,0,0|1,0,2]=4 1273 B14R1.38 CC=CCSCC(O)c1ccccc1 62a_100000070051_100000185958 [1,0,0,0,0,0|1,0,2]=4 1274 B14R1.38 CC=CCSCC(O)c1ccccc1 62a_100000185958_100000070051 [1,0,0,0,0,0|1,0,2]=4 1275 B14R1.38 CC=CCSC[C@@H](O)c1ccccc1 62a_100000070051_100011933945 [1,0,0,0,0,0|1,0,2]=4 1276 B14R1.38 CC=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000070051 [1,0,0,0,0,0|1,0,2]=4 1277 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [1,0,0,0,0,0|1,0,2]=4 1278 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_100000210012_100000210314 [1,0,0,0,0,0|3,0,0]=4 1279 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_200000219565_200000210301 [1,0,0,0,0,0|3,0,0]=4 1280 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_100000210012_100000210757 [1,0,0,0,0,0|3,0,0]=4 1281 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_200000219565_200000210301 [1,0,0,0,0,0|3,0,0]=4 1282 B14R1.38 CCCCCCN(C)c1ccccc1 34a_100000210012_100000210314 [1,0,0,0,0,0|3,0,0]=4 1283 B14R1.38 CCCCCCN(C)c1ccccc1 34a_200000219565_200000210301 [1,0,0,0,0,0|3,0,0]=4 1284 B14R1.38 CCCCCCN(C)c1ccccc1 7a_200000219565_200000210301 [1,0,0,0,0,0|3,0,0]=4 1285 B14R1.38 CCCCCCN([13CH3])c1ccccc1 2230a_200000219565_200025704644 [1,0,0,0,0,0|3,0,0]=4 1286 B14R1.38 CCCCCCN([13CH3])c1ccccc1 269982a_200000219565_200025704644 [1,0,0,0,0,0|3,0,0]=4 1287 B14R1.38 CCCCCCN([13CH3])c1ccccc1 34a_200000219565_200025704644 [1,0,0,0,0,0|3,0,0]=4 1288 B14R1.38 CCCCCCN([13CH3])c1ccccc1 7a_200000219565_200025704644 [1,0,0,0,0,0|3,0,0]=4 1289 B14R1.38 CCCCCNC(C)c1ccccc1 2230a_100000209983_100000230085 [1,0,0,0,0,0|3,0,0]=4 1290 B14R1.38 CCCCCNC(C)c1ccccc1 269862a_100000209983_100000185851 [1,0,0,0,0,0|3,0,0]=4 1291 B14R1.38 CCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210326 [1,0,0,0,0,0|3,0,0]=4 1292 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [1,0,0,0,0,0|3,0,0]=4 1293 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [1,0,0,0,0,0|3,0,0]=4 1294 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [1,0,0,0,0,0|3,0,0]=4 1295 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [1,0,0,0,0,0|3,0,0]=4 1296 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000210326_100000230085 [1,0,0,0,0,0|3,0,0]=4 1297 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000230085_100000210326 [1,0,0,0,0,0|3,0,0]=4 1298 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [1,0,0,0,0,0|0,0,2]=3 1299 B14R1.38 CCCCNCC(=O)c1ccccn1 7a_106832991798_100000027445 [1,0,0,0,0,0|1,0,2]=4 1300 B14R1.38 CCCCNCC(=O)c1ccncc1 7a_106832991798_100015248511 [1,0,0,0,0,0|1,0,2]=4 1301 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [1,0,0,0,0,0|1,0,0]=2 1302 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [1,0,0,0,0,0|1,0,0]=2 1303 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [1,0,0,0,0,0|1,0,0]=2 1304 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [1,0,0,0,0,0|1,0,0]=2 1305 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [1,0,0,0,0,0|1,0,0]=2 1306 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [1,0,0,0,0,0|0,0,0]=1 1307 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [1,0,0,0,0,0|0,0,0]=1 1308 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [1,0,0,0,0,0|0,0,0]=1 1309 B14R1.38 CCCCNCC(O)c1ccccn1 2230a_100000691469_100000210211 [1,0,0,0,0,0|1,0,0]=2 1310 B14R1.38 CCCCNCC(O)c1cccnc1 2230a_100020605170_100000210211 [1,0,0,0,0,0|1,0,0]=2 1311 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [1,0,0,0,0,0|0,0,0]=1 1312 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [1,0,0,0,0,0|0,0,0]=1 1313 B14R1.38 CCCCNN=C(C)c1ccccc1 4a_100025702795_100000185851 [1,0,0,0,0,0|2,0,1]=4 1314 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [1,0,0,0,0,0|1,0,2]=4 1315 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [1,0,0,0,0,0|1,0,2]=4 1316 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [1,0,0,0,0,0|1,0,2]=4 1317 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [1,0,0,0,0,0|2,0,0]=3 1318 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [1,0,0,0,0,0|2,0,0]=3 1319 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [1,0,0,0,0,0|2,0,0]=3 1320 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [1,0,0,0,0,0|2,0,0]=3 1321 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [1,0,0,0,0,0|1,0,0]=2 1322 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [1,0,0,0,0,0|1,0,0]=2 1323 B14R1.38 CCCCOCN(C)c1ccccc1 2230a_100000210012_100011995733 [1,0,0,0,0,0|3,0,0]=4 1324 B14R1.38 CCCCOCN(C)c1ccccc1 269982a_100000210012_100011995733 [1,0,0,0,0,0|3,0,0]=4 1325 B14R1.38 CCCCOCN(C)c1ccccc1 34a_100000210012_100011995733 [1,0,0,0,0,0|3,0,0]=4 1326 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [1,0,0,0,0,0|2,0,0]=3 1327 B14R1.38 CCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210210 [1,0,0,0,0,0|3,0,0]=4 1328 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [1,0,0,0,0,0|1,0,0]=2 1329 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [1,0,0,0,0,0|1,0,0]=2 1330 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [1,0,0,0,0,0|1,0,2]=4 1331 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [1,0,0,0,0,0|1,0,2]=4 1332 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000210211_100000756946 [1,0,0,0,0,0|2,0,0]=3 1333 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000756946_100000210210 [1,0,0,0,0,0|2,0,0]=3 1334 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000185958_100000210210 [1,0,0,0,0,0|1,0,0]=2 1335 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000210211_100000185958 [1,0,0,0,0,0|1,0,0]=2 1336 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [1,0,0,0,0,0|2,0,1]=4 1337 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100000210211_100011933945 [1,0,0,0,0,0|1,0,0]=2 1338 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210210 [1,0,0,0,0,0|1,0,0]=2 1339 B14R1.38 CCCNCCC(C)c1ccccc1 270004a_100020643023_100000189432 [1,0,0,0,0,0|3,0,0]=4 1340 B14R1.38 CCCNCCC(O)c1ccccc1 2230a_100000763605_100000210303 [1,0,0,0,0,0|2,0,0]=3 1341 B14R1.38 CCCOCC[C@@H](O)c1ccccc1 34a_100000210258_100000729684 [1,0,0,0,0,0|2,0,0]=3 1342 B14R1.38 CCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210303 [1,0,0,0,0,0|3,0,0]=4 1343 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000210303_100000729684 [1,0,0,0,0,0|2,0,0]=3 1344 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210303 [1,0,0,0,0,0|2,0,0]=3 1345 B14R1.38 CCOCCCC(N)c1ccccc1 34a_100000759318_100000210202 [1,0,0,0,0,0|3,0,0]=4 1346 B14R1.38 CCOCSCC(C)c1ccccc1 62a_100000739092_100000756946 [1,0,0,0,0,0|3,0,0]=4 1347 B14R1.38 CCOCSCC(C)c1ccccc1 62a_100000756946_100000739092 [1,0,0,0,0,0|3,0,0]=4 1348 B14R1.38 CCOCSCC(O)c1ccccc1 62a_100000185958_100000739092 [1,0,0,0,0,0|2,0,0]=3 1349 B14R1.38 CCOCSCC(O)c1ccccc1 62a_100000739092_100000185958 [1,0,0,0,0,0|2,0,0]=3 1350 B14R1.38 CCOCSC[C@@H](O)c1ccccc1 62a_100000739092_100011933945 [1,0,0,0,0,0|2,0,0]=3 1351 B14R1.38 CCOCSC[C@@H](O)c1ccccc1 62a_100011933945_100000739092 [1,0,0,0,0,0|2,0,0]=3 1352 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000209980_100000756946 [1,0,0,0,0,0|2,0,0]=3 1353 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000701038_100011201679 [1,0,0,0,0,0|2,0,0]=3 1354 B14R1.38 COCCNCC(C)c1ccccc1 270004a_100000209980_100000212034 [1,0,0,0,0,0|2,0,0]=3 1355 B14R1.38 COCCNCC(C)c1ccccc1 34a_100000701038_100011201679 [1,0,0,0,0,0|2,0,0]=3 1356 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000209980_100000185958 [1,0,0,0,0,0|1,0,0]=2 1357 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000210709_100011201679 [1,0,0,0,0,0|1,0,0]=2 1358 B14R1.38 COCCNCC(O)c1ccccn1 2230a_100000691469_100011201679 [1,0,0,0,0,0|2,0,0]=3 1359 B14R1.38 COCCNCC(O)c1cccnc1 2230a_100020605170_100011201679 [1,0,0,0,0,0|2,0,0]=3 1360 B14R1.38 COCCNC[C@@H](O)c1ccccc1 2230a_100000209980_100011933945 [1,0,0,0,0,0|1,0,0]=2 1361 B14R1.38 COCCOCC(C)c1ccccc1 34a_100000210237_100000756946 [1,0,0,0,0,0|3,0,0]=4 1362 B14R1.38 COCCOCC(C)c1ccccc1 34a_100011215166_100011201679 [1,0,0,0,0,0|3,0,0]=4 1363 B14R1.38 COCCOCC(C)c1ccccc1 7a_100011215166_100000233755 [1,0,0,0,0,0|3,0,0]=4 1364 B14R1.38 COCCOCC(O)c1ccccc1 34a_100000210237_100000185958 [1,0,0,0,0,0|2,0,0]=3 1365 B14R1.38 COCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011201679 [1,0,0,0,0,0|3,0,0]=4 1366 B14R1.38 COCCOC[C@@H](O)c1ccccc1 34a_100000210237_100011933945 [1,0,0,0,0,0|2,0,0]=3 1367 B14R1.38 COCCSCC(C)c1ccccc1 62a_100000233755_100000756946 [1,0,0,0,0,0|3,0,0]=4 1368 B14R1.38 COCCSCC(C)c1ccccc1 62a_100000756946_100000233755 [1,0,0,0,0,0|3,0,0]=4 1369 B14R1.38 COCCSCC(O)c1ccccc1 62a_100000185958_100000233755 [1,0,0,0,0,0|2,0,0]=3 1370 B14R1.38 COCCSCC(O)c1ccccc1 62a_100000233755_100000185958 [1,0,0,0,0,0|2,0,0]=3 1371 B14R1.38 COCCSC[C@@H](O)c1ccccc1 62a_100000233755_100011933945 [1,0,0,0,0,0|2,0,0]=3 1372 B14R1.38 COCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000233755 [1,0,0,0,0,0|2,0,0]=3 1373 B14R1.38 COCNCCC(O)c1ccccc1 2230a_100000763605_100000766300 [1,0,0,0,0,0|3,0,0]=4 1374 B14R1.38 COCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000766300 [1,0,0,0,0,0|3,0,0]=4 1375 B14R1.38 COCSCC[C@@H](O)c1ccccc1 62a_100000766300_100000729684 [1,0,0,0,0,0|3,0,0]=4 1376 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100000701038_100000751147 [1,0,0,0,0,0|2,0,0]=3 1377 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100020590264_100000756946 [1,0,0,0,0,0|2,0,0]=3 1378 B14R1.38 CSCCNCC(C)c1ccccc1 270004a_100020590264_100000212034 [1,0,0,0,0,0|2,0,0]=3 1379 B14R1.38 CSCCNCC(C)c1ccccc1 34a_100000701038_100000212216 [1,0,0,0,0,0|2,0,0]=3 1380 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100000210709_100000751147 [1,0,0,0,0,0|1,0,0]=2 1381 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100020590264_100000185958 [1,0,0,0,0,0|1,0,0]=2 1382 B14R1.38 CSCCNCC(O)c1ccccn1 2230a_100000691469_100000751147 [1,0,0,0,0,0|2,0,0]=3 1383 B14R1.38 CSCCNCC(O)c1cccnc1 2230a_100020605170_100000751147 [1,0,0,0,0,0|2,0,0]=3 1384 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 2230a_100020590264_100011933945 [1,0,0,0,0,0|1,0,0]=2 1385 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100000230434_100000756946 [1,0,0,0,0,0|3,0,0]=4 1386 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100011215166_100000212216 [1,0,0,0,0,0|3,0,0]=4 1387 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100000230434_100000756946 [1,0,0,0,0,0|3,0,0]=4 1388 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100011215166_100000212216 [1,0,0,0,0,0|3,0,0]=4 1389 B14R1.38 CSCCOCC(O)c1ccccc1 34a_100000230434_100000185958 [1,0,0,0,0,0|2,0,0]=3 1390 B14R1.38 CSCCOCC(O)c1ccccc1 7a_100000230434_100000185958 [1,0,0,0,0,0|2,0,0]=3 1391 B14R1.38 CSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000212216 [1,0,0,0,0,0|3,0,0]=4 1392 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 34a_100000230434_100011933945 [1,0,0,0,0,0|2,0,0]=3 1393 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 7a_100000230434_100011933945 [1,0,0,0,0,0|2,0,0]=3 1394 B14R1.38 CSCCSCC(C)c1ccccc1 62a_100000212216_100000756946 [1,0,0,0,0,0|3,0,0]=4 1395 B14R1.38 CSCCSCC(C)c1ccccc1 62a_100000756946_100000751147 [1,0,0,0,0,0|3,0,0]=4 1396 B14R1.38 CSCCSCC(O)c1ccccc1 62a_100000185958_100000751147 [1,0,0,0,0,0|2,0,0]=3 1397 B14R1.38 CSCCSCC(O)c1ccccc1 62a_100000212216_100000185958 [1,0,0,0,0,0|2,0,0]=3 1398 B14R1.38 CSCCSC[C@@H](O)c1ccccc1 62a_100000212216_100011933945 [1,0,0,0,0,0|2,0,0]=3 1399 B14R1.38 CSCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000751147 [1,0,0,0,0,0|2,0,0]=3 1400 B14R1.38 CSCNCCC(O)c1ccccc1 2230a_100000763605_100011218213 [1,0,0,0,0,0|3,0,0]=4 1401 B14R1.38 CSCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011218213 [1,0,0,0,0,0|3,0,0]=4 1402 B14R1.38 CSCSCC[C@@H](O)c1ccccc1 62a_100011218213_100000729684 [1,0,0,0,0,0|3,0,0]=4 1403 B14R1.38 N#CCCNCC(O)c1ccccc1 2230a_100000210709_100011215226 [1,0,0,0,0,0|1,0,1]=3 1404 B14R1.38 N#CCCNCC(O)c1ccccn1 2230a_100000691469_100011215226 [1,0,0,0,0,0|2,0,1]=4 1405 B14R1.38 N#CCCNCC(O)c1cccnc1 2230a_100020605170_100011215226 [1,0,0,0,0,0|2,0,1]=4 1406 B14R1.38 N#CCCSCC(O)c1ccccc1 62a_100000185958_100011215226 [1,0,0,0,0,0|2,0,1]=4 1407 B14R1.38 N#CCCSCC(O)c1ccccc1 62a_100011215226_100000185958 [1,0,0,0,0,0|2,0,1]=4 1408 B14R1.38 N#CCCSC[C@@H](O)c1ccccc1 62a_100011215226_100011933945 [1,0,0,0,0,0|2,0,1]=4 1409 B14R1.38 N#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215226 [1,0,0,0,0,0|2,0,1]=4 1410 B14R1.38 NCCCOCC(O)c1ccccc1 34a_100000182051_100000185958 [1,0,0,0,0,0|2,0,0]=3 1411 B14R1.38 NCCCOC[C@@H](O)c1ccccc1 34a_100000182051_100011933945 [1,0,0,0,0,0|2,0,0]=3 1412 B14R1.38 NCCOCC[C@@H](O)c1ccccc1 34a_100000210304_100000729684 [1,0,0,0,0,0|3,0,0]=4 1413 B14R1.38 NOCCOCC(O)c1ccccc1 34a_100000700252_100000185958 [1,0,0,0,0,0|3,0,0]=4 1414 B14R1.38 NOCCOC[C@@H](O)c1ccccc1 34a_100000700252_100011933945 [1,0,0,0,0,0|3,0,0]=4 1415 B14R1.38 N[C@H](COCCCF)c1ccccc1 34a_100000751927_100011934791 [1,0,0,0,0,0|3,0,0]=4 1416 B14R1.38 N[C@H](COCCCO)c1ccccc1 34a_100000751927_100000230001 [1,0,0,0,0,0|3,0,0]=4 1417 B14R1.38 OC(CCNCCF)c1ccccc1 2230a_100000763605_100011217306 [1,0,0,0,0,0|3,0,0]=4 1418 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100000210709_100011934791 [1,0,0,0,0,0|1,0,0]=2 1419 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100015189416_100000185958 [1,0,0,0,0,0|1,0,0]=2 1420 B14R1.38 OC(CNCCCF)c1ccccc1 34a_100015189416_100000185958 [1,0,0,0,0,0|1,0,0]=2 1421 B14R1.38 OC(CNCCCF)c1ccccn1 2230a_100000691469_100011934791 [1,0,0,0,0,0|2,0,0]=3 1422 B14R1.38 OC(CNCCCF)c1cccnc1 2230a_100020605170_100011934791 [1,0,0,0,0,0|2,0,0]=3 1423 B14R1.38 OC(COCCCBr)c1ccccc1 34a_100011217188_100000185958 [1,0,0,0,0,0|2,0,0]=3 1424 B14R1.38 OC(COCCCCl)c1ccccc1 34a_100000230001_100000185958 [1,0,0,0,0,0|2,0,0]=3 1425 B14R1.38 OC(COCCCF)c1ccccc1 34a_100000759539_100000185958 [1,0,0,0,0,0|2,0,0]=3 1426 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100000185958_100011934791 [1,0,0,0,0,0|2,0,0]=3 1427 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100011934791_100000185958 [1,0,0,0,0,0|2,0,0]=3 1428 B14R1.38 OCCCNCC(O)c1ccccc1 2230a_100000210709_100000230001 [1,0,0,0,0,0|1,0,0]=2 1429 B14R1.38 OCCCNCC(O)c1ccccn1 2230a_100000691469_100000230001 [1,0,0,0,0,0|2,0,0]=3 1430 B14R1.38 OCCCNCC(O)c1cccnc1 2230a_100020605170_100000230001 [1,0,0,0,0,0|2,0,0]=3 1431 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100000185958_100011215043 [1,0,0,0,0,0|2,0,0]=3 1432 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100011215043_100000185958 [1,0,0,0,0,0|2,0,0]=3 1433 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011215043_100011933945 [1,0,0,0,0,0|2,0,0]=3 1434 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215043 [1,0,0,0,0,0|2,0,0]=3 1435 B14R1.38 OCCNCCC(O)c1ccccc1 2230a_100000763605_100000211926 [1,0,0,0,0,0|3,0,0]=4 1436 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 2230a_100016997473_100000729684 [1,0,0,0,0,0|3,0,0]=4 1437 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 34a_100016990907_100000729684 [1,0,0,0,0,0|3,0,0]=4 1438 B14R1.38 OCCSCC[C@@H](O)c1ccccc1 62a_100000211926_100000729684 [1,0,0,0,0,0|3,0,0]=4 1439 B14R1.38 OCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000211926 [1,0,0,0,0,0|3,0,0]=4 1440 B14R1.38 O[C@H](CCNCCF)c1ccccc1 34a_100000724931_100000729684 [1,0,0,0,0,0|3,0,0]=4 1441 B14R1.38 O[C@H](CCOCCBr)c1ccccc1 34a_100000211926_100000729684 [1,0,0,0,0,0|3,0,0]=4 1442 B14R1.38 O[C@H](CCSCCF)c1ccccc1 62a_100000729684_100011217306 [1,0,0,0,0,0|3,0,0]=4 1443 B14R1.38 O[C@H](CCSCCF)c1ccccc1 62a_100011217306_100000729684 [1,0,0,0,0,0|3,0,0]=4 1444 B14R1.38 O[C@H](CNCCCF)c1ccccc1 2230a_100015189416_100011933945 [1,0,0,0,0,0|1,0,0]=2 1445 B14R1.38 O[C@H](CNCCCF)c1ccccc1 34a_100015189416_100011933945 [1,0,0,0,0,0|1,0,0]=2 1446 B14R1.38 O[C@H](COCCCBr)c1ccccc1 34a_100011217188_100011933945 [1,0,0,0,0,0|2,0,0]=3 1447 B14R1.38 O[C@H](COCCCCl)c1ccccc1 34a_100000230001_100011933945 [1,0,0,0,0,0|2,0,0]=3 1448 B14R1.38 O[C@H](COCCCF)c1ccccc1 34a_100000759539_100011933945 [1,0,0,0,0,0|2,0,0]=3 1449 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011933945_100011934791 [1,0,0,0,0,0|2,0,0]=3 1450 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011934791_100011933945 [1,0,0,0,0,0|2,0,0]=3 1451 B16R1.21 CCCCCCC(NC)c1ccc(cc1)Br 269862a_106832991636_200011215111 [0,1,0,0,0,0|3,0,0]=4 1452 B16R1.21 CCCCCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210314 [0,1,0,0,0,0|3,0,0]=4 1453 B16R1.21 CCCCCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210757 [0,1,0,0,0,0|3,0,0]=4 1454 B16R1.21 CCCCCCN(CC)c1ccc(cc1)O 34a_100011337800_100000210314 [0,1,0,0,0,0|3,0,0]=4 1455 B16R1.21 CCCCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000718602 [0,1,0,0,0,0|3,0,0]=4 1456 B16R1.21 CCCCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210326 [0,1,0,0,0,0|3,0,0]=4 1457 B16R1.21 CCCCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000718602 [0,1,0,0,0,0|3,0,0]=4 1458 B16R1.21 CCCCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210326 [0,1,0,0,0,0|3,0,0]=4 1459 B16R1.21 CCCCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000718602 [0,1,0,0,0,0|3,0,0]=4 1460 B16R1.21 CCCCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210326 [0,1,0,0,0,0|3,0,0]=4 1461 B16R1.21 CCCCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000718602 [0,1,0,0,0,0|3,0,0]=4 1462 B16R1.21 CCCCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210326 [0,1,0,0,0,0|3,0,0]=4 1463 B16R1.21 CCCCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000718602 [0,1,0,0,0,0|3,0,0]=4 1464 B16R1.21 CCCCNN=C(CC)c1ccc(cc1)O 4a_100025702795_100000212119 [0,1,0,0,0,0|2,0,1]=4 1465 B16R1.21 CCCCNN=C(CF)c1ccc(cc1)O 4a_100025702795_200010654591 [0,1,0,0,0,0|2,0,1]=4 1466 B16R1.21 CCCCNN=C(CO)c1ccc(cc1)Br 4a_100025702795_100011219529 [0,1,0,0,0,0|2,0,1]=4 1467 B16R1.21 CCCCNN=C(CO)c1ccc(cc1)C 4a_100025702795_100000246368 [0,1,0,0,0,0|2,0,1]=4 1468 B16R1.21 CCCCNN=C(CO)c1ccc(cc1)F 4a_100025702795_100000246311 [0,1,0,0,0,0|2,0,1]=4 1469 B16R1.21 CCCCOCN(CC)c1ccc(cc1)O 2230a_100011337800_100011995733 [0,1,0,0,0,0|3,0,0]=4 1470 B16R1.21 CCCCOCN(CC)c1ccc(cc1)O 269982a_100011337800_100011995733 [0,1,0,0,0,0|3,0,0]=4 1471 B16R1.21 CCCCOCN(CC)c1ccc(cc1)O 34a_100011337800_100011995733 [0,1,0,0,0,0|3,0,0]=4 1472 B16R1.58 C=CCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210193 [0,1,0,0,0,0|0,0,3]=4 1473 B16R1.58 CC(CC#N)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100009813641 [0,1,0,0,0,0|2,0,1]=4 1474 B16R1.58 CC(CC#N)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009813641 [0,1,0,0,0,0|2,0,1]=4 1475 B16R1.58 CC(CCBr)OCC(O)c1ccc(cc1)Cl 34a_100012276601_200011996143 [0,1,0,0,0,0|3,0,0]=4 1476 B16R1.58 CC(CCBr)OC[C@H](O)c1ccc(cc1)F 34a_100012276601_100000720402 [0,1,0,0,0,0|3,0,0]=4 1477 B16R1.58 CC(CCO)NCC(C)c1ccc(cc1)O 34a_200015188644_100009893172 [0,1,0,0,0,0|2,0,0]=3 1478 B16R1.58 CC(CCO)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100009893172 [0,1,0,0,0,0|2,0,0]=3 1479 B16R1.58 CC(CCO)NCC(O)c1ccc(cc1)Br 34a_100020626992_100009893172 [0,1,0,0,0,0|2,0,0]=3 1480 B16R1.58 CC(CCO)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009893172 [0,1,0,0,0,0|2,0,0]=3 1481 B16R1.58 CC(CCO)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100009893172 [0,1,0,0,0,0|2,0,0]=3 1482 B16R1.58 CC(CCO)NCC(O)c1ccc(cc1)O 34a_100000067596_100009893172 [0,1,0,0,0,0|1,0,0]=2 1483 B16R1.58 CC(CCO)SCC(O)c1ccc(cc1)Cl 62a_100009893172_200011996143 [0,1,0,0,0,0|3,0,0]=4 1484 B16R1.58 CC(CCO)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100009893172 [0,1,0,0,0,0|3,0,0]=4 1485 B16R1.58 CC(CCO)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009893172 [0,1,0,0,0,0|3,0,0]=4 1486 B16R1.58 CC(CCO)SC[C@H](O)c1ccc(cc1)F 62a_100009893172_100000720402 [0,1,0,0,0,0|3,0,0]=4 1487 B16R1.58 CC(CNC(=O)CCO)c1ccc(cc1)O 240690a_200015188644_100011216618 [0,1,0,0,0,0|2,0,1]=4 1488 B16R1.58 CC=CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210699 [0,1,0,0,0,0|0,0,3]=4 1489 B16R1.58 CCCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000211992 [0,1,0,0,0,0|1,0,1]=3 1490 B16R1.58 CCCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000211992 [0,1,0,0,0,0|1,0,1]=3 1491 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000211992 [0,1,0,0,0,0|1,0,1]=3 1492 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000211992 [0,1,0,0,0,0|1,0,1]=3 1493 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000211992 [0,1,0,0,0,0|1,0,1]=3 1494 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000211992 [0,1,0,0,0,0|1,0,1]=3 1495 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000211992 [0,1,0,0,0,0|1,0,1]=3 1496 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000211992 [0,1,0,0,0,0|1,0,1]=3 1497 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000211992 [0,1,0,0,0,0|1,0,1]=3 1498 B16R1.58 CCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000211992 [0,1,0,0,0,0|0,0,1]=2 1499 B16R1.58 CCCC(C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011216630 [0,1,0,0,0,0|3,0,0]=4 1500 B16R1.58 CCCC(C)CN[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000243154 [0,1,0,0,0,0|3,0,0]=4 1501 B16R1.58 CCCC(C)NCC(=O)c1ccc(cc1)C 2230a_100000741246_100000211441 [0,1,0,0,0,0|1,0,2]=4 1502 B16R1.58 CCCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000211909 [0,1,0,0,0,0|1,0,0]=2 1503 B16R1.58 CCCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100000766640 [0,1,0,0,0,0|1,0,0]=2 1504 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000766640 [0,1,0,0,0,0|1,0,0]=2 1505 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000211909 [0,1,0,0,0,0|1,0,0]=2 1506 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000766640 [0,1,0,0,0,0|1,0,0]=2 1507 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_100000766640 [0,1,0,0,0,0|1,0,0]=2 1508 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000211909 [0,1,0,0,0,0|1,0,0]=2 1509 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_100000766640 [0,1,0,0,0,0|1,0,0]=2 1510 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000766640 [0,1,0,0,0,0|1,0,0]=2 1511 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000741246_200011996143 [0,1,0,0,0,0|1,0,0]=2 1512 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000211909 [0,1,0,0,0,0|1,0,0]=2 1513 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000766640 [0,1,0,0,0,0|1,0,0]=2 1514 B16R1.58 CCCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000766640 [0,1,0,0,0,0|0,0,0]=1 1515 B16R1.58 CCCC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000741246_100000720402 [0,1,0,0,0,0|1,0,0]=2 1516 B16R1.58 CCCC(C)OCC(=O)c1ccc(cc1)O 34a_100000764384_100009814261 [0,1,0,0,0,0|1,0,2]=4 1517 B16R1.58 CCCC(C)OCC(=O)c1ccc(cc1)O 7a_100000764384_100000018856 [0,1,0,0,0,0|1,0,2]=4 1518 B16R1.58 CCCC(C)OCC(N)c1ccc(cc1)Br 34a_100000734186_100000766640 [0,1,0,0,0,0|3,0,0]=4 1519 B16R1.58 CCCC(C)OCC(N)c1ccc(cc1)F 34a_100000705410_100000766640 [0,1,0,0,0,0|3,0,0]=4 1520 B16R1.58 CCCC(C)OCC(O)c1ccc(cc1)Cl 34a_100000764384_200011996143 [0,1,0,0,0,0|2,0,0]=3 1521 B16R1.58 CCCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000764384_200011996143 [0,1,0,0,0,0|2,0,0]=3 1522 B16R1.58 CCCC(C)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000766640 [0,1,0,0,0,0|3,0,0]=4 1523 B16R1.58 CCCC(C)OC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000766640 [0,1,0,0,0,0|3,0,0]=4 1524 B16R1.58 CCCC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000764384_100000720402 [0,1,0,0,0,0|2,0,0]=3 1525 B16R1.58 CCCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000764384_100000720402 [0,1,0,0,0,0|2,0,0]=3 1526 B16R1.58 CCCC(C)SCC(=O)c1ccc(cc1)O 62a_100000766640_100009814261 [0,1,0,0,0,0|1,0,2]=4 1527 B16R1.58 CCCC(C)SCC(=O)c1ccc(cc1)O 62a_100009814261_100000766640 [0,1,0,0,0,0|1,0,2]=4 1528 B16R1.58 CCCC(C)SCC(O)c1ccc(cc1)Cl 62a_100000766640_200011996143 [0,1,0,0,0,0|2,0,0]=3 1529 B16R1.58 CCCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000766640 [0,1,0,0,0,0|2,0,0]=3 1530 B16R1.58 CCCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000766640 [0,1,0,0,0,0|2,0,0]=3 1531 B16R1.58 CCCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000766640_100000720402 [0,1,0,0,0,0|2,0,0]=3 1532 B16R1.58 CCNC(=O)NCC(C)c1ccc(cc1)O 2708a_100015525214_200015188644 [0,1,0,0,0,0|2,0,1]=4 1533 B16R1.58 CCNC(=O)NCC(C)c1ccc(cc1)O 2708a_200015188644_100015525214 [0,1,0,0,0,0|2,0,1]=4 1534 B16R1.58 CCNC(=O)NCC(C)c1ccc(cc1)O 273464a_100015525214_200015188644 [0,1,0,0,0,0|2,0,1]=4 1535 B16R1.58 CCNC(=O)NCC(C)c1ccc(cc1)O 273464a_200015188644_100015525214 [0,1,0,0,0,0|2,0,1]=4 1536 B16R1.58 CCNC(=O)NCC(C)c1ccc(cc1)O 512a_100015525214_200015188644 [0,1,0,0,0,0|2,0,1]=4 1537 B16R1.58 CCNC(=O)NCC(C)c1ccc(cc1)O 512a_200015188644_100015525214 [0,1,0,0,0,0|2,0,1]=4 1538 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Br 2708a_100015525214_100020626992 [0,1,0,0,0,0|2,0,1]=4 1539 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Br 273464a_100015525214_100020626992 [0,1,0,0,0,0|2,0,1]=4 1540 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Br 273464a_100020626992_100015525214 [0,1,0,0,0,0|2,0,1]=4 1541 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Br 512a_100015525214_100020626992 [0,1,0,0,0,0|2,0,1]=4 1542 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Br 512a_100020626992_100015525214 [0,1,0,0,0,0|2,0,1]=4 1543 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)C 2708a_100015525214_200020610344 [0,1,0,0,0,0|2,0,1]=4 1544 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)C 273464a_100015525214_200020610344 [0,1,0,0,0,0|2,0,1]=4 1545 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)C 273464a_200020610344_100015525214 [0,1,0,0,0,0|2,0,1]=4 1546 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)C 512a_100015525214_200020610344 [0,1,0,0,0,0|2,0,1]=4 1547 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Cl 2708a_100015525214_100000736658 [0,1,0,0,0,0|2,0,1]=4 1548 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Cl 273464a_100015525214_100000736658 [0,1,0,0,0,0|2,0,1]=4 1549 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Cl 512a_100000736658_100015525214 [0,1,0,0,0,0|2,0,1]=4 1550 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)Cl 512a_100015525214_100000736658 [0,1,0,0,0,0|2,0,1]=4 1551 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)O 2708a_100015525214_100000067596 [0,1,0,0,0,0|1,0,1]=3 1552 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)O 273464a_100015525214_100000067596 [0,1,0,0,0,0|1,0,1]=3 1553 B16R1.58 CCNC(=O)NCC(O)c1ccc(cc1)O 512a_100015525214_100000067596 [0,1,0,0,0,0|1,0,1]=3 1554 B16R1.58 COCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000210968 [0,1,0,0,0,0|2,0,1]=4 1555 B16R1.58 COCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000210968 [0,1,0,0,0,0|2,0,1]=4 1556 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210968 [0,1,0,0,0,0|2,0,1]=4 1557 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210968 [0,1,0,0,0,0|2,0,1]=4 1558 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000210968 [0,1,0,0,0,0|2,0,1]=4 1559 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000210968 [0,1,0,0,0,0|2,0,1]=4 1560 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000210968 [0,1,0,0,0,0|2,0,1]=4 1561 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210968 [0,1,0,0,0,0|2,0,1]=4 1562 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210968 [0,1,0,0,0,0|2,0,1]=4 1563 B16R1.58 COCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210968 [0,1,0,0,0,0|1,0,1]=3 1564 B16R1.58 COCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000749346 [0,1,0,0,0,0|2,0,0]=3 1565 B16R1.58 COCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100000765312 [0,1,0,0,0,0|2,0,0]=3 1566 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000765312 [0,1,0,0,0,0|2,0,0]=3 1567 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000749346 [0,1,0,0,0,0|2,0,0]=3 1568 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000765312 [0,1,0,0,0,0|2,0,0]=3 1569 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_100000765312 [0,1,0,0,0,0|2,0,0]=3 1570 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000749346 [0,1,0,0,0,0|2,0,0]=3 1571 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_100000765312 [0,1,0,0,0,0|2,0,0]=3 1572 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000765312 [0,1,0,0,0,0|2,0,0]=3 1573 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000749346 [0,1,0,0,0,0|2,0,0]=3 1574 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000765312 [0,1,0,0,0,0|2,0,0]=3 1575 B16R1.58 COCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000765312 [0,1,0,0,0,0|1,0,0]=2 1576 B16R1.58 COCC(C)SCC(O)c1ccc(cc1)Cl 62a_100000765312_200011996143 [0,1,0,0,0,0|3,0,0]=4 1577 B16R1.58 COCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000765312 [0,1,0,0,0,0|3,0,0]=4 1578 B16R1.58 COCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000765312 [0,1,0,0,0,0|3,0,0]=4 1579 B16R1.58 COCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000765312_100000720402 [0,1,0,0,0,0|3,0,0]=4 1580 B16R1.58 COC[C@@H](C)NCC(O)c1ccc(cc1)Cl 2230a_100000764878_200011996143 [0,1,0,0,0,0|2,0,0]=3 1581 B16R1.58 COC[C@@H](C)NC[C@H](O)c1ccc(cc1)F 2230a_100000764878_100000720402 [0,1,0,0,0,0|2,0,0]=3 1582 B16R1.58 COC[C@@H](C)OCC(O)c1ccc(cc1)Cl 34a_100011934205_200011996143 [0,1,0,0,0,0|3,0,0]=4 1583 B16R1.58 COC[C@@H](C)OC[C@H](O)c1ccc(cc1)F 34a_100011934205_100000720402 [0,1,0,0,0,0|3,0,0]=4 1584 B16R1.58 CSCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000184570 [0,1,0,0,0,0|2,0,1]=4 1585 B16R1.58 CSCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000184570 [0,1,0,0,0,0|2,0,1]=4 1586 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000184570 [0,1,0,0,0,0|2,0,1]=4 1587 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000184570 [0,1,0,0,0,0|2,0,1]=4 1588 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000184570 [0,1,0,0,0,0|2,0,1]=4 1589 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000184570 [0,1,0,0,0,0|2,0,1]=4 1590 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000184570 [0,1,0,0,0,0|2,0,1]=4 1591 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000184570 [0,1,0,0,0,0|2,0,1]=4 1592 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000184570 [0,1,0,0,0,0|2,0,1]=4 1593 B16R1.58 CSCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000184570 [0,1,0,0,0,0|1,0,1]=3 1594 B16R1.58 CSCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100011216314 [0,1,0,0,0,0|2,0,0]=3 1595 B16R1.58 CSCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100011216314 [0,1,0,0,0,0|2,0,0]=3 1596 B16R1.58 CSCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100011216314 [0,1,0,0,0,0|2,0,0]=3 1597 B16R1.58 CSCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100011216314 [0,1,0,0,0,0|2,0,0]=3 1598 B16R1.58 C[C@@H](CC#N)NCC(O)c1ccc(cc1)Cl 2230a_100016994482_200011996143 [0,1,0,0,0,0|2,0,1]=4 1599 B16R1.58 C[C@@H](CC#N)NC[C@H](O)c1ccc(cc1)F 2230a_100016994482_100000720402 [0,1,0,0,0,0|2,0,1]=4 1600 B16R1.58 C[C@H](CCO)NCC(=O)c1ccc(cc1)O 34a_100000706166_100009814261 [0,1,0,0,0,0|1,0,2]=4 1601 B16R1.58 C[C@H](CCO)NCC(O)c1ccc(cc1)Cl 2230a_100000706166_200011996143 [0,1,0,0,0,0|2,0,0]=3 1602 B16R1.58 C[C@H](CCO)NCC(O)c1ccc(cc1)Cl 34a_100000706166_200011996143 [0,1,0,0,0,0|2,0,0]=3 1603 B16R1.58 C[C@H](CCO)NC[C@H](O)c1ccc(cc1)F 2230a_100000706166_100000720402 [0,1,0,0,0,0|2,0,0]=3 1604 B16R1.58 C[C@H](CCO)NC[C@H](O)c1ccc(cc1)F 34a_100000706166_100000720402 [0,1,0,0,0,0|2,0,0]=3 1605 B16R1.58 Cc1ccc(cc1)C(O)CNC(=O)CCO 240690a_200020610344_100011216618 [0,1,0,0,0,0|2,0,1]=4 1606 B16R1.58 Cc1ccc(cc1)C(O)CNC(C)CC#N 2230a_200020610344_100009813641 [0,1,0,0,0,0|2,0,1]=4 1607 B16R1.58 Cc1ccc(cc1)C(O)CNC(C)CCO 2230a_200020610344_100009893172 [0,1,0,0,0,0|2,0,0]=3 1608 B16R1.58 Cc1ccc(cc1)C(O)CNC(C)CCO 34a_200020610344_100009893172 [0,1,0,0,0,0|2,0,0]=3 1609 B16R1.58 N#CCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100051588842 [0,1,0,0,0,0|1,0,2]=4 1610 B16R1.58 O=C(CCO)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100011216618 [0,1,0,0,0,0|2,0,1]=4 1611 B16R1.58 O=C(CCO)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100011216618 [0,1,0,0,0,0|2,0,1]=4 1612 B16R1.58 O=C(CCO)NCC(O)c1ccc(cc1)O 240690a_100000067596_100011216618 [0,1,0,0,0,0|1,0,1]=3 1613 B16R1.61 C#CCCNC(=O)C(O)c1ccc(cc1)O 240690a_100000755551_100011215213 [0,1,0,0,0,0|0,0,3]=4 1614 B16R1.61 C#CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000688953 [0,1,0,0,0,0|1,0,2]=4 1615 B16R1.61 C#CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000688953 [0,1,0,0,0,0|1,0,2]=4 1616 B16R1.61 C/C=C/CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100102629194 [0,1,0,0,0,0|1,0,2]=4 1617 B16R1.61 C=CCCNC(=O)C(O)c1ccc(cc1)O 240690a_100015191253_100011215213 [0,1,0,0,0,0|0,0,3]=4 1618 B16R1.61 C=CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000754431 [0,1,0,0,0,0|1,0,2]=4 1619 B16R1.61 C=CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000754431 [0,1,0,0,0,0|1,0,2]=4 1620 B16R1.61 CC#CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000748600 [0,1,0,0,0,0|1,0,2]=4 1621 B16R1.61 CC#CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000748600 [0,1,0,0,0,0|1,0,2]=4 1622 B16R1.61 CC(C(=O)NCCCF)c1ccc(cc1)O 240690a_100015189416_100000031422 [0,1,0,0,0,0|2,0,1]=4 1623 B16R1.61 CC(C(=O)NCCCO)c1ccc(cc1)O 240690a_100000182051_100000031422 [0,1,0,0,0,0|2,0,1]=4 1624 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)O 2230a_100015189416_200010205864 [0,1,0,0,0,0|1,0,2]=4 1625 B16R1.61 CC(NCCCF)C(=O)c1ccc(cc1)O 34a_100015189416_200010205864 [0,1,0,0,0,0|1,0,2]=4 1626 B16R1.61 CC=CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000070051 [0,1,0,0,0,0|1,0,2]=4 1627 B16R1.61 CC=CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000070051 [0,1,0,0,0,0|1,0,2]=4 1628 B16R1.61 CCCCCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210326 [0,1,0,0,0,0|2,0,1]=4 1629 B16R1.61 CCCCCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210326 [0,1,0,0,0,0|2,0,1]=4 1630 B16R1.61 CCCCCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210326 [0,1,0,0,0,0|2,0,1]=4 1631 B16R1.61 CCCCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210326 [0,1,0,0,0,0|1,0,1]=3 1632 B16R1.61 CCCCCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210326 [0,1,0,0,0,0|2,0,1]=4 1633 B16R1.61 CCCCCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210326 [0,1,0,0,0,0|2,0,1]=4 1634 B16R1.61 CCCCCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_200011218191 [0,1,0,0,0,0|1,0,2]=4 1635 B16R1.61 CCCCCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_200011218191 [0,1,0,0,0,0|3,0,0]=4 1636 B16R1.61 CCCCCC(C)N(C)c1ccc(cc1)O 34a_100000182112_200011218191 [0,1,0,0,0,0|3,0,0]=4 1637 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)C 11a_100000102301_100000751627 [0,1,0,0,0,0|2,0,1]=4 1638 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)C 1626a_100000102301_100000751627 [0,1,0,0,0,0|2,0,1]=4 1639 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)C 240690a_100000102301_100000751627 [0,1,0,0,0,0|2,0,1]=4 1640 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)C 527a_100000102301_100000751627 [0,1,0,0,0,0|2,0,1]=4 1641 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)Cl 11a_100000102301_100011216001 [0,1,0,0,0,0|2,0,1]=4 1642 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)Cl 1626a_100000102301_100011216001 [0,1,0,0,0,0|2,0,1]=4 1643 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)Cl 240690a_100000102301_100011216001 [0,1,0,0,0,0|2,0,1]=4 1644 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)Cl 527a_100000102301_100011216001 [0,1,0,0,0,0|2,0,1]=4 1645 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)F 11a_100000102301_100011435297 [0,1,0,0,0,0|2,0,1]=4 1646 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)F 1626a_100000102301_100011435297 [0,1,0,0,0,0|2,0,1]=4 1647 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)F 240690a_100000102301_100011435297 [0,1,0,0,0,0|2,0,1]=4 1648 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)F 527a_100000102301_100011435297 [0,1,0,0,0,0|2,0,1]=4 1649 B16R1.61 CCCCNC(=O)C(C)c1ccc(cc1)O 240690a_100000102301_100000031422 [0,1,0,0,0,0|1,0,1]=3 1650 B16R1.61 CCCCNC(=O)C(F)c1ccc(cc1)Cl 11a_100000102301_100012277543 [0,1,0,0,0,0|2,0,1]=4 1651 B16R1.61 CCCCNC(=O)C(F)c1ccc(cc1)Cl 1626a_100000102301_100012277543 [0,1,0,0,0,0|2,0,1]=4 1652 B16R1.61 CCCCNC(=O)C(F)c1ccc(cc1)Cl 240690a_100000102301_100012277543 [0,1,0,0,0,0|2,0,1]=4 1653 B16R1.61 CCCCNC(=O)C(F)c1ccc(cc1)Cl 527a_100000102301_100012277543 [0,1,0,0,0,0|2,0,1]=4 1654 B16R1.61 CCCCNC(=O)C(O)c1ccc(cc1)Br 240690a_100000102301_100000756554 [0,1,0,0,0,0|1,0,1]=3 1655 B16R1.61 CCCCNC(=O)C(O)c1ccc(cc1)F 240690a_100000102301_100000209909 [0,1,0,0,0,0|1,0,1]=3 1656 B16R1.61 CCCCNC(=O)C(O)c1ccc(cc1)O 240690a_100000102301_100011215213 [0,1,0,0,0,0|0,0,1]=2 1657 B16R1.61 CCCCNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100000102301_100009815954 [0,1,0,0,0,0|1,0,1]=3 1658 B16R1.61 CCCCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000102301_100009817493 [0,1,0,0,0,0|1,0,1]=3 1659 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Br 2230a_100000102301_100000184162 [0,1,0,0,0,0|1,0,2]=4 1660 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Br 7a_106832991798_100000184162 [0,1,0,0,0,0|1,0,2]=4 1661 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)C 2230a_100000102301_100000726416 [0,1,0,0,0,0|1,0,2]=4 1662 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)C 7a_106832991798_100000183984 [0,1,0,0,0,0|1,0,2]=4 1663 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Cl 2230a_100000102301_100000183210 [0,1,0,0,0,0|1,0,2]=4 1664 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991798_100000183210 [0,1,0,0,0,0|1,0,2]=4 1665 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)F 2230a_100000102301_100000229918 [0,1,0,0,0,0|1,0,2]=4 1666 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)F 7a_106832991798_100000229918 [0,1,0,0,0,0|1,0,2]=4 1667 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)O 2230a_100000102301_200010205864 [0,1,0,0,0,0|0,0,2]=3 1668 B16R1.61 CCCCNC(C)C(=O)c1ccc(cc1)O 7a_106832991798_200010205864 [0,1,0,0,0,0|0,0,2]=3 1669 B16R1.61 CCCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210211 [0,1,0,0,0,0|1,0,0]=2 1670 B16R1.61 CCCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210210 [0,1,0,0,0,0|1,0,0]=2 1671 B16R1.61 CCCCOC(C)C(=O)c1ccc(cc1)O 34a_100000210227_200010205864 [0,1,0,0,0,0|1,0,2]=4 1672 B16R1.61 CCCCOC(C)C(=O)c1ccc(cc1)O 7a_100000210227_200010205864 [0,1,0,0,0,0|1,0,2]=4 1673 B16R1.61 CCCCSC(C)C(=O)c1ccc(cc1)O 62a_100000210211_200010205864 [0,1,0,0,0,0|1,0,2]=4 1674 B16R1.61 CCCCSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_100000210210 [0,1,0,0,0,0|1,0,2]=4 1675 B16R1.61 CCCNNC(=O)C(C)c1ccc(cc1)O 22a_100000740057_100000031422 [0,1,0,0,0,0|2,0,1]=4 1676 B16R1.61 CCCNNC(=O)C(O)c1ccc(cc1)Br 22a_100000740057_100000756554 [0,1,0,0,0,0|2,0,1]=4 1677 B16R1.61 CCCNNC(=O)C(O)c1ccc(cc1)F 22a_100000740057_100000209909 [0,1,0,0,0,0|2,0,1]=4 1678 B16R1.61 CCCNNC(=O)C(O)c1ccc(cc1)O 22a_100000740057_100011215213 [0,1,0,0,0,0|1,0,1]=3 1679 B16R1.61 CCCNNC(=O)[C@H](O)c1ccc(cc1)C 22a_100000740057_100009815954 [0,1,0,0,0,0|2,0,1]=4 1680 B16R1.61 CCCNNC(=O)[C@H](O)c1ccc(cc1)Cl 22a_100000740057_100009817493 [0,1,0,0,0,0|2,0,1]=4 1681 B16R1.61 CCOCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100011215890 [0,1,0,0,0,0|2,0,1]=4 1682 B16R1.61 CCSCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000757381 [0,1,0,0,0,0|2,0,1]=4 1683 B16R1.61 COCCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000740836 [0,1,0,0,0,0|2,0,1]=4 1684 B16R1.61 COCCNC(=O)C(C)c1ccc(cc1)O 240690a_100000209980_100000031422 [0,1,0,0,0,0|2,0,1]=4 1685 B16R1.61 COCCNC(=O)C(O)c1ccc(cc1)Br 240690a_100000209980_100000756554 [0,1,0,0,0,0|2,0,1]=4 1686 B16R1.61 COCCNC(=O)C(O)c1ccc(cc1)F 240690a_100000209980_100000209909 [0,1,0,0,0,0|2,0,1]=4 1687 B16R1.61 COCCNC(=O)C(O)c1ccc(cc1)O 240690a_100000209980_100011215213 [0,1,0,0,0,0|1,0,1]=3 1688 B16R1.61 COCCNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100000209980_100009815954 [0,1,0,0,0,0|2,0,1]=4 1689 B16R1.61 COCCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000209980_100009817493 [0,1,0,0,0,0|2,0,1]=4 1690 B16R1.61 COCCNC(C)C(=O)c1ccc(cc1)O 2230a_100000209980_200010205864 [0,1,0,0,0,0|1,0,2]=4 1691 B16R1.61 COCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011201679 [0,1,0,0,0,0|2,0,0]=3 1692 B16R1.61 COCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011201679 [0,1,0,0,0,0|2,0,0]=3 1693 B16R1.61 CSCCNC(=O)C(C)c1ccc(cc1)O 240690a_100020590264_100000031422 [0,1,0,0,0,0|2,0,1]=4 1694 B16R1.61 CSCCNC(=O)C(O)c1ccc(cc1)Br 240690a_100020590264_100000756554 [0,1,0,0,0,0|2,0,1]=4 1695 B16R1.61 CSCCNC(=O)C(O)c1ccc(cc1)F 240690a_100020590264_100000209909 [0,1,0,0,0,0|2,0,1]=4 1696 B16R1.61 CSCCNC(=O)C(O)c1ccc(cc1)O 240690a_100020590264_100011215213 [0,1,0,0,0,0|1,0,1]=3 1697 B16R1.61 CSCCNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100020590264_100009815954 [0,1,0,0,0,0|2,0,1]=4 1698 B16R1.61 CSCCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100020590264_100009817493 [0,1,0,0,0,0|2,0,1]=4 1699 B16R1.61 CSCCNC(C)C(=O)c1ccc(cc1)O 2230a_100020590264_200010205864 [0,1,0,0,0,0|1,0,2]=4 1700 B16R1.61 CSCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000751147 [0,1,0,0,0,0|2,0,0]=3 1701 B16R1.61 CSCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000212216 [0,1,0,0,0,0|2,0,0]=3 1702 B16R1.61 C[C@@H](NCCC#N)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011215226 [0,1,0,0,0,0|2,0,1]=4 1703 B16R1.61 C[C@@H](NCCCF)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011934791 [0,1,0,0,0,0|2,0,0]=3 1704 B16R1.61 C[C@@H](NCCCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011934791 [0,1,0,0,0,0|2,0,0]=3 1705 B16R1.61 C[C@@H](NCCCO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000230001 [0,1,0,0,0,0|2,0,0]=3 1706 B16R1.61 C[C@@H](NCCCO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000230001 [0,1,0,0,0,0|2,0,0]=3 1707 B16R1.61 Cc1ccc(cc1)[C@@H](O)C(=O)NCCCF 240690a_100015189416_100009815954 [0,1,0,0,0,0|2,0,1]=4 1708 B16R1.61 Cc1ccc(cc1)[C@@H](O)C(=O)NCCCO 240690a_100000182051_100009815954 [0,1,0,0,0,0|2,0,1]=4 1709 B16R1.61 N#CCCNC(=O)C(O)c1ccc(cc1)O 240690a_100000720768_100011215213 [0,1,0,0,0,0|1,0,2]=4 1710 B16R1.61 O=C(CCCCF)C(O)c1ccc(cc1)O 1458a_100011215213_100000729493 [0,1,0,0,0,0|2,0,1]=4 1711 B16R1.61 O=C(CCCCO)C(O)c1ccc(cc1)O 1458a_100011215213_100000210776 [0,1,0,0,0,0|2,0,1]=4 1712 B16R1.61 O=C(NCCCF)C(O)c1ccc(cc1)Br 240690a_100015189416_100000756554 [0,1,0,0,0,0|2,0,1]=4 1713 B16R1.61 O=C(NCCCF)C(O)c1ccc(cc1)F 240690a_100015189416_100000209909 [0,1,0,0,0,0|2,0,1]=4 1714 B16R1.61 O=C(NCCCF)C(O)c1ccc(cc1)O 240690a_100015189416_100011215213 [0,1,0,0,0,0|1,0,1]=3 1715 B16R1.61 O=C(NCCCF)[C@H](O)c1ccc(cc1)Cl 240690a_100015189416_100009817493 [0,1,0,0,0,0|2,0,1]=4 1716 B16R1.61 O=C(NCCCO)C(O)c1ccc(cc1)Br 240690a_100000182051_100000756554 [0,1,0,0,0,0|2,0,1]=4 1717 B16R1.61 O=C(NCCCO)C(O)c1ccc(cc1)F 240690a_100000182051_100000209909 [0,1,0,0,0,0|2,0,1]=4 1718 B16R1.61 O=C(NCCCO)C(O)c1ccc(cc1)O 240690a_100000182051_100011215213 [0,1,0,0,0,0|1,0,1]=3 1719 B16R1.61 O=C(NCCCO)[C@H](O)c1ccc(cc1)Cl 240690a_100000182051_100009817493 [0,1,0,0,0,0|2,0,1]=4 1720 B16R1.78 C#CCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000688953 [0,1,0,0,0,0|0,0,2]=3 1721 B16R1.78 C#CCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000730999 [0,1,0,0,0,0|0,0,2]=3 1722 B16R1.78 C/C=C/CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100102629194 [0,1,0,0,0,0|0,0,2]=3 1723 B16R1.78 C=CCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100020639649_200011996143 [0,1,0,0,0,0|1,0,2]=4 1724 B16R1.78 C=CCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000754431 [0,1,0,0,0,0|0,0,2]=3 1725 B16R1.78 C=CCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000754431 [0,1,0,0,0,0|0,0,2]=3 1726 B16R1.78 C=CCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100020639649_100000720402 [0,1,0,0,0,0|1,0,2]=4 1727 B16R1.78 CC#CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000748600 [0,1,0,0,0,0|0,0,2]=3 1728 B16R1.78 CC=CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000070051 [0,1,0,0,0,0|0,0,2]=3 1729 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210183_100009814261 [0,1,0,0,0,0|1,0,2]=4 1730 B16R1.78 CCCCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000210211 [0,1,0,0,0,0|3,0,0]=4 1731 B16R1.78 CCCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210183_200011996143 [0,1,0,0,0,0|2,0,0]=3 1732 B16R1.78 CCCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210183_100000720402 [0,1,0,0,0,0|2,0,0]=3 1733 B16R1.78 CCCCC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100000210183 [0,1,0,0,0,0|3,0,0]=4 1734 B16R1.78 CCCCC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200011215066 [0,1,0,0,0,0|3,0,0]=4 1735 B16R1.78 CCCCC(C)N[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000210087 [0,1,0,0,0,0|3,0,0]=4 1736 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)Br 269982a_100000207549_100000188085 [0,1,0,0,0,0|1,0,2]=4 1737 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)C 2230a_100000207549_100000211441 [0,1,0,0,0,0|1,0,2]=4 1738 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)C 269982a_100000207549_100000211441 [0,1,0,0,0,0|1,0,2]=4 1739 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)Cl 269982a_100000207549_100000211071 [0,1,0,0,0,0|1,0,2]=4 1740 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)F 269982a_100000207549_100000211279 [0,1,0,0,0,0|1,0,2]=4 1741 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)I 269982a_100000207549_100011216261 [0,1,0,0,0,0|1,0,2]=4 1742 B16R1.78 CCCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000207549_100009814261 [0,1,0,0,0,0|0,0,2]=3 1743 B16R1.78 CCCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000207549_200011996143 [0,1,0,0,0,0|1,0,0]=2 1744 B16R1.78 CCCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210211 [0,1,0,0,0,0|0,0,0]=1 1745 B16R1.78 CCCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210211 [0,1,0,0,0,0|0,0,0]=1 1746 B16R1.78 CCCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000207549_100000720402 [0,1,0,0,0,0|1,0,0]=2 1747 B16R1.78 CCOCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000211967_200011996143 [0,1,0,0,0,0|3,0,0]=4 1748 B16R1.78 CCOCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000211967_100000720402 [0,1,0,0,0,0|3,0,0]=4 1749 B16R1.78 CCOCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000739092 [0,1,0,0,0,0|1,0,0]=2 1750 B16R1.78 CCSCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000230394_200011996143 [0,1,0,0,0,0|3,0,0]=4 1751 B16R1.78 CCSCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000230394_100000720402 [0,1,0,0,0,0|3,0,0]=4 1752 B16R1.78 CN(CCC#N)CC(O)c1ccc(cc1)Cl 2230a_100000184479_200011996143 [0,1,0,0,0,0|2,0,1]=4 1753 B16R1.78 CN(CCC#N)CC(O)c1ccc(cc1)O 2230a_100016988945_100011215226 [0,1,0,0,0,0|1,0,1]=3 1754 B16R1.78 CN(CCC#N)CC(O)c1ccc(cc1)O 269982a_100016988945_100011215226 [0,1,0,0,0,0|1,0,1]=3 1755 B16R1.78 CN(CCC#N)C[C@H](O)c1ccc(cc1)F 2230a_100000184479_100000720402 [0,1,0,0,0,0|2,0,1]=4 1756 B16R1.78 CN(CCCF)CC(O)c1ccc(cc1)O 2230a_100016988945_100011934791 [0,1,0,0,0,0|1,0,0]=2 1757 B16R1.78 CN(CCCF)CC(O)c1ccc(cc1)O 269982a_100016988945_100011934791 [0,1,0,0,0,0|1,0,0]=2 1758 B16R1.78 CN(CCCO)CC(=O)c1ccc(cc1)O 269982a_100000213112_100009814261 [0,1,0,0,0,0|1,0,2]=4 1759 B16R1.78 CN(CCCO)CC(O)c1ccc(cc1)Cl 2230a_100000213112_200011996143 [0,1,0,0,0,0|2,0,0]=3 1760 B16R1.78 CN(CCCO)CC(O)c1ccc(cc1)O 2230a_100016988945_100000230001 [0,1,0,0,0,0|1,0,0]=2 1761 B16R1.78 CN(CCCO)CC(O)c1ccc(cc1)O 269982a_100016988945_100011215043 [0,1,0,0,0,0|1,0,0]=2 1762 B16R1.78 CN(CCCO)C[C@H](O)c1ccc(cc1)F 2230a_100000213112_100000720402 [0,1,0,0,0,0|2,0,0]=3 1763 B16R1.78 CN(CSC#N)CC(O)c1ccc(cc1)O 269982a_100016988945_100000211825 [0,1,0,0,0,0|2,0,1]=4 1764 B16R1.78 COCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000749529_200011996143 [0,1,0,0,0,0|3,0,0]=4 1765 B16R1.78 COCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000749529_100000720402 [0,1,0,0,0,0|3,0,0]=4 1766 B16R1.78 COCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000743101_100009814261 [0,1,0,0,0,0|1,0,2]=4 1767 B16R1.78 COCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000743101_200011996143 [0,1,0,0,0,0|2,0,0]=3 1768 B16R1.78 COCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100011201679 [0,1,0,0,0,0|1,0,0]=2 1769 B16R1.78 COCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000233755 [0,1,0,0,0,0|1,0,0]=2 1770 B16R1.78 COCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000743101_100000720402 [0,1,0,0,0,0|2,0,0]=3 1771 B16R1.78 CSCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000174002_200011996143 [0,1,0,0,0,0|3,0,0]=4 1772 B16R1.78 CSCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000174002_100000720402 [0,1,0,0,0,0|3,0,0]=4 1773 B16R1.78 CSCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000686725_100009814261 [0,1,0,0,0,0|1,0,2]=4 1774 B16R1.78 CSCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000686725_200011996143 [0,1,0,0,0,0|2,0,0]=3 1775 B16R1.78 CSCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000751147 [0,1,0,0,0,0|1,0,0]=2 1776 B16R1.78 CSCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000212216 [0,1,0,0,0,0|1,0,0]=2 1777 B16R1.78 CSCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000686725_100000720402 [0,1,0,0,0,0|2,0,0]=3 1778 B16R1.91 C#CCCCNCC(=O)c1ccc(cc1)O 34a_100000718082_100009814261 [0,1,0,0,0,0|0,0,3]=4 1779 B16R1.91 C#CCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000695029 [0,1,0,0,0,0|1,0,1]=3 1780 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000731252 [0,1,0,0,0,0|1,0,1]=3 1781 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000695029 [0,1,0,0,0,0|1,0,1]=3 1782 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000731252 [0,1,0,0,0,0|1,0,1]=3 1783 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000695029 [0,1,0,0,0,0|1,0,1]=3 1784 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000731252 [0,1,0,0,0,0|1,0,1]=3 1785 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)Cl 34a_100000718082_200011996143 [0,1,0,0,0,0|1,0,1]=3 1786 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000695029 [0,1,0,0,0,0|1,0,1]=3 1787 B16R1.91 C#CCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000695029 [0,1,0,0,0,0|0,0,1]=2 1788 B16R1.91 C#CCCCNC[C@H](O)c1ccc(cc1)F 34a_100000718082_100000720402 [0,1,0,0,0,0|1,0,1]=3 1789 B16R1.91 C#CCCCOCC(O)c1ccc(cc1)Cl 34a_100000215630_200011996143 [0,1,0,0,0,0|2,0,1]=4 1790 B16R1.91 C#CCCCOCC(O)c1ccc(cc1)Cl 7a_100000215630_200011996143 [0,1,0,0,0,0|2,0,1]=4 1791 B16R1.91 C#CCCCOC[C@H](O)c1ccc(cc1)F 34a_100000215630_100000720402 [0,1,0,0,0,0|2,0,1]=4 1792 B16R1.91 C#CCCCOC[C@H](O)c1ccc(cc1)F 7a_100000215630_100000720402 [0,1,0,0,0,0|2,0,1]=4 1793 B16R1.91 C#CCCCSCC(O)c1ccc(cc1)Cl 62a_100011215417_200011996143 [0,1,0,0,0,0|2,0,1]=4 1794 B16R1.91 C#CCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215417 [0,1,0,0,0,0|2,0,1]=4 1795 B16R1.91 C#CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215417 [0,1,0,0,0,0|2,0,1]=4 1796 B16R1.91 C#CCCCSC[C@H](O)c1ccc(cc1)F 62a_100011215417_100000720402 [0,1,0,0,0,0|2,0,1]=4 1797 B16R1.91 C/C=C/CCOCC(O)c1ccc(cc1)Cl 34a_100016278192_200011996143 [0,1,0,0,0,0|2,0,1]=4 1798 B16R1.91 C/C=C/CCOC[C@H](O)c1ccc(cc1)F 34a_100016278192_100000720402 [0,1,0,0,0,0|2,0,1]=4 1799 B16R1.91 C=CCCCNCC(=O)c1ccc(cc1)O 34a_100000700776_100009814261 [0,1,0,0,0,0|0,0,3]=4 1800 B16R1.91 C=CCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000757094 [0,1,0,0,0,0|1,0,1]=3 1801 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011713584 [0,1,0,0,0,0|1,0,1]=3 1802 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000757094 [0,1,0,0,0,0|1,0,1]=3 1803 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011713584 [0,1,0,0,0,0|1,0,1]=3 1804 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000757094 [0,1,0,0,0,0|1,0,1]=3 1805 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000700776_200011996143 [0,1,0,0,0,0|1,0,1]=3 1806 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011713584 [0,1,0,0,0,0|1,0,1]=3 1807 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)Cl 34a_100000700776_200011996143 [0,1,0,0,0,0|1,0,1]=3 1808 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000757094 [0,1,0,0,0,0|1,0,1]=3 1809 B16R1.91 C=CCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000757094 [0,1,0,0,0,0|0,0,1]=2 1810 B16R1.91 C=CCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000700776_100000720402 [0,1,0,0,0,0|1,0,1]=3 1811 B16R1.91 C=CCCCNC[C@H](O)c1ccc(cc1)F 34a_100000700776_100000720402 [0,1,0,0,0,0|1,0,1]=3 1812 B16R1.91 C=CCCCOCC(O)c1ccc(cc1)Cl 34a_100000758997_200011996143 [0,1,0,0,0,0|2,0,1]=4 1813 B16R1.91 C=CCCCOCC(O)c1ccc(cc1)Cl 7a_100000758997_200011996143 [0,1,0,0,0,0|2,0,1]=4 1814 B16R1.91 C=CCCCOC[C@H](O)c1ccc(cc1)F 34a_100000758997_100000720402 [0,1,0,0,0,0|2,0,1]=4 1815 B16R1.91 C=CCCCOC[C@H](O)c1ccc(cc1)F 7a_100000758997_100000720402 [0,1,0,0,0,0|2,0,1]=4 1816 B16R1.91 C=CCCCSCC(O)c1ccc(cc1)Cl 62a_100011713584_200011996143 [0,1,0,0,0,0|2,0,1]=4 1817 B16R1.91 C=CCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000757094 [0,1,0,0,0,0|2,0,1]=4 1818 B16R1.91 C=CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000757094 [0,1,0,0,0,0|2,0,1]=4 1819 B16R1.91 C=CCCCSC[C@H](O)c1ccc(cc1)F 62a_100011713584_100000720402 [0,1,0,0,0,0|2,0,1]=4 1820 B16R1.91 C=COCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000039644 [0,1,0,0,0,0|1,0,2]=4 1821 B16R1.91 C=COCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000039644 [0,1,0,0,0,0|1,0,2]=4 1822 B16R1.91 C=COCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000039644 [0,1,0,0,0,0|1,0,2]=4 1823 B16R1.91 C=COCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000039644 [0,1,0,0,0,0|1,0,2]=4 1824 B16R1.91 C=COCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000039644 [0,1,0,0,0,0|1,0,2]=4 1825 B16R1.91 C=COCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000039644 [0,1,0,0,0,0|1,0,2]=4 1826 B16R1.91 C=COCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000039644 [0,1,0,0,0,0|1,0,2]=4 1827 B16R1.91 C=COCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000039644 [0,1,0,0,0,0|0,0,2]=3 1828 B16R1.91 CC#CCCOCC(O)c1ccc(cc1)Cl 34a_100000750427_200011996143 [0,1,0,0,0,0|2,0,1]=4 1829 B16R1.91 CC#CCCOC[C@H](O)c1ccc(cc1)F 34a_100000750427_100000720402 [0,1,0,0,0,0|2,0,1]=4 1830 B16R1.91 CC(CNCC#CCO)c1ccc(cc1)O 34a_200015188644_200000047223 [0,1,0,0,0,0|1,0,2]=4 1831 B16R1.91 CC(CNCCCCF)c1ccc(cc1)O 34a_200015188644_100000729493 [0,1,0,0,0,0|1,0,0]=2 1832 B16R1.91 CC(CNCCCCO)c1ccc(cc1)O 34a_200015188644_100011216708 [0,1,0,0,0,0|1,0,0]=2 1833 B16R1.91 CC/C=C\CNCC(C)c1ccc(cc1)O 34a_200015188644_100103147603 [0,1,0,0,0,0|1,0,1]=3 1834 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100103147603 [0,1,0,0,0,0|1,0,1]=3 1835 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)Br 34a_100020626992_100103147603 [0,1,0,0,0,0|1,0,1]=3 1836 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)C 2230a_200020610344_100103147603 [0,1,0,0,0,0|1,0,1]=3 1837 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)C 34a_200020610344_100103147603 [0,1,0,0,0,0|1,0,1]=3 1838 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100103147603 [0,1,0,0,0,0|1,0,1]=3 1839 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100103147603 [0,1,0,0,0,0|1,0,1]=3 1840 B16R1.91 CC/C=C\CNCC(O)c1ccc(cc1)O 34a_100000067596_100103147603 [0,1,0,0,0,0|0,0,1]=2 1841 B16R1.91 CC/C=C\COCC(O)c1ccc(cc1)Cl 34a_100016268518_200011996143 [0,1,0,0,0,0|2,0,1]=4 1842 B16R1.91 CC/C=C\COC[C@H](O)c1ccc(cc1)F 34a_100016268518_100000720402 [0,1,0,0,0,0|2,0,1]=4 1843 B16R1.91 CC/C=C\CSCC(O)c1ccc(cc1)Cl 62a_100103147603_200011996143 [0,1,0,0,0,0|2,0,1]=4 1844 B16R1.91 CC/C=C\CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100103147603 [0,1,0,0,0,0|2,0,1]=4 1845 B16R1.91 CC/C=C\CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100103147603 [0,1,0,0,0,0|2,0,1]=4 1846 B16R1.91 CC/C=C\CSC[C@H](O)c1ccc(cc1)F 62a_100103147603_100000720402 [0,1,0,0,0,0|2,0,1]=4 1847 B16R1.91 CCC#CCNCC(C)c1ccc(cc1)O 34a_200015188644_100009813939 [0,1,0,0,0,0|1,0,1]=3 1848 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100009813939 [0,1,0,0,0,0|1,0,1]=3 1849 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100009813939 [0,1,0,0,0,0|1,0,1]=3 1850 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100009813939 [0,1,0,0,0,0|1,0,1]=3 1851 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)C 34a_200020610344_100009813939 [0,1,0,0,0,0|1,0,1]=3 1852 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009813939 [0,1,0,0,0,0|1,0,1]=3 1853 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009813939 [0,1,0,0,0,0|1,0,1]=3 1854 B16R1.91 CCC#CCNCC(O)c1ccc(cc1)O 34a_100000067596_100009813939 [0,1,0,0,0,0|0,0,1]=2 1855 B16R1.91 CCC#CCOCC(O)c1ccc(cc1)Cl 34a_100000032950_200011996143 [0,1,0,0,0,0|2,0,1]=4 1856 B16R1.91 CCC#CCOC[C@H](O)c1ccc(cc1)F 34a_100000032950_100000720402 [0,1,0,0,0,0|2,0,1]=4 1857 B16R1.91 CCC#CCSCC(O)c1ccc(cc1)Cl 62a_100009813939_200011996143 [0,1,0,0,0,0|2,0,1]=4 1858 B16R1.91 CCC#CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100009813939 [0,1,0,0,0,0|2,0,1]=4 1859 B16R1.91 CCC#CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009813939 [0,1,0,0,0,0|2,0,1]=4 1860 B16R1.91 CCC#CCSC[C@H](O)c1ccc(cc1)F 62a_100009813939_100000720402 [0,1,0,0,0,0|2,0,1]=4 1861 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210614 [0,1,0,0,0,0|1,0,2]=4 1862 B16R1.91 CCCCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210681 [0,1,0,0,0,0|3,0,0]=4 1863 B16R1.91 CCCCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210614 [0,1,0,0,0,0|3,0,0]=4 1864 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)O 240690a_100000210581_100000212099 [0,1,0,0,0,0|1,0,2]=4 1865 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)O 527a_100000210581_100000212099 [0,1,0,0,0,0|1,0,2]=4 1866 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Br 2230a_100000210581_100000755118 [0,1,0,0,0,0|3,0,0]=4 1867 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Br 269862a_100000210581_100000185794 [0,1,0,0,0,0|3,0,0]=4 1868 B16R1.91 CCCCCCNC(C)c1ccc(cc1)C 2230a_100000210581_100011261388 [0,1,0,0,0,0|3,0,0]=4 1869 B16R1.91 CCCCCCNC(C)c1ccc(cc1)C 269862a_100000210581_100000185793 [0,1,0,0,0,0|3,0,0]=4 1870 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Cl 2230a_100000210581_100000684792 [0,1,0,0,0,0|3,0,0]=4 1871 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Cl 269862a_100000210581_100000185797 [0,1,0,0,0,0|3,0,0]=4 1872 B16R1.91 CCCCCCNC(C)c1ccc(cc1)F 2230a_100000210581_100000743420 [0,1,0,0,0,0|3,0,0]=4 1873 B16R1.91 CCCCCCNC(C)c1ccc(cc1)F 269862a_100000210581_100000185800 [0,1,0,0,0,0|3,0,0]=4 1874 B16R1.91 CCCCCCNC(C)c1ccc(cc1)I 269862a_100000210581_100000185465 [0,1,0,0,0,0|3,0,0]=4 1875 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210314 [0,1,0,0,0,0|3,0,0]=4 1876 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210314 [0,1,0,0,0,0|3,0,0]=4 1877 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210314 [0,1,0,0,0,0|3,0,0]=4 1878 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210314 [0,1,0,0,0,0|2,0,0]=3 1879 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210314 [0,1,0,0,0,0|3,0,0]=4 1880 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210314 [0,1,0,0,0,0|3,0,0]=4 1881 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210314 [0,1,0,0,0,0|3,0,0]=4 1882 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210314 [0,1,0,0,0,0|3,0,0]=4 1883 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210314 [0,1,0,0,0,0|3,0,0]=4 1884 B16R1.91 CCCCCCOC(C)c1ccc(cc1)C 34a_100000210259_100011261388 [0,1,0,0,0,0|3,0,0]=4 1885 B16R1.91 CCCCCCOC(C)c1ccc(cc1)C 7a_100000210259_100011261388 [0,1,0,0,0,0|3,0,0]=4 1886 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210314 [0,1,0,0,0,0|3,0,0]=4 1887 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 34a_100000210259_100000743420 [0,1,0,0,0,0|3,0,0]=4 1888 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210314 [0,1,0,0,0,0|3,0,0]=4 1889 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 7a_100000210259_100000743420 [0,1,0,0,0,0|3,0,0]=4 1890 B16R1.91 CCCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210314 [0,1,0,0,0,0|3,0,0]=4 1891 B16R1.91 CCCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210314 [0,1,0,0,0,0|3,0,0]=4 1892 B16R1.91 CCCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210314 [0,1,0,0,0,0|3,0,0]=4 1893 B16R1.91 CCCCCNCC(=O)c1ccc(cc1)C 2230a_100000209983_100000211441 [0,1,0,0,0,0|1,0,2]=4 1894 B16R1.91 CCCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000718602 [0,1,0,0,0,0|1,0,0]=2 1895 B16R1.91 CCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210326 [0,1,0,0,0,0|1,0,0]=2 1896 B16R1.91 CCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000718602 [0,1,0,0,0,0|1,0,0]=2 1897 B16R1.91 CCCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210326 [0,1,0,0,0,0|1,0,0]=2 1898 B16R1.91 CCCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000718602 [0,1,0,0,0,0|1,0,0]=2 1899 B16R1.91 CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000209983_200011996143 [0,1,0,0,0,0|1,0,0]=2 1900 B16R1.91 CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210326 [0,1,0,0,0,0|1,0,0]=2 1901 B16R1.91 CCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000718602 [0,1,0,0,0,0|1,0,0]=2 1902 B16R1.91 CCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000718602 [0,1,0,0,0,0|0,0,0]=1 1903 B16R1.91 CCCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000209983_100000720402 [0,1,0,0,0,0|1,0,0]=2 1904 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)O 4a_100000694160_100000185113 [0,1,0,0,0,0|2,0,1]=4 1905 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)O 22a_100000694160_100000212099 [0,1,0,0,0,0|1,0,2]=4 1906 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)O 34a_100000210253_100009814261 [0,1,0,0,0,0|1,0,2]=4 1907 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)O 7a_100000210253_100000018856 [0,1,0,0,0,0|1,0,2]=4 1908 B16R1.91 CCCCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000718602 [0,1,0,0,0,0|3,0,0]=4 1909 B16R1.91 CCCCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000718602 [0,1,0,0,0,0|3,0,0]=4 1910 B16R1.91 CCCCCOCC(O)c1ccc(cc1)Cl 34a_100000210253_200011996143 [0,1,0,0,0,0|2,0,0]=3 1911 B16R1.91 CCCCCOCC(O)c1ccc(cc1)Cl 7a_100000210253_200011996143 [0,1,0,0,0,0|2,0,0]=3 1912 B16R1.91 CCCCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000718602 [0,1,0,0,0,0|3,0,0]=4 1913 B16R1.91 CCCCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000718602 [0,1,0,0,0,0|3,0,0]=4 1914 B16R1.91 CCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000210253_100000720402 [0,1,0,0,0,0|2,0,0]=3 1915 B16R1.91 CCCCCOC[C@H](O)c1ccc(cc1)F 7a_100000210253_100000720402 [0,1,0,0,0,0|2,0,0]=3 1916 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)O 62a_100000210326_100009814261 [0,1,0,0,0,0|1,0,2]=4 1917 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210326 [0,1,0,0,0,0|1,0,2]=4 1918 B16R1.91 CCCCCSCC(O)c1ccc(cc1)Cl 62a_100000210326_200011996143 [0,1,0,0,0,0|2,0,0]=3 1919 B16R1.91 CCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210326 [0,1,0,0,0,0|2,0,0]=3 1920 B16R1.91 CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000210326_100000720402 [0,1,0,0,0,0|2,0,0]=3 1921 B16R1.91 CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210326 [0,1,0,0,0,0|2,0,0]=3 1922 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)Br 7a_106832991798_100011215963 [0,1,0,0,0,0|1,0,2]=4 1923 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)C 2230a_100000102301_100000701375 [0,1,0,0,0,0|1,0,2]=4 1924 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)C 7a_106832991798_100000701375 [0,1,0,0,0,0|1,0,2]=4 1925 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)Cl 7a_106832991798_100011216492 [0,1,0,0,0,0|1,0,2]=4 1926 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)F 2230a_100000102301_100000211231 [0,1,0,0,0,0|1,0,2]=4 1927 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)F 7a_106832991798_100000211231 [0,1,0,0,0,0|1,0,2]=4 1928 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)O 2230a_100000102301_100009879949 [0,1,0,0,0,0|0,0,2]=3 1929 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)O 7a_106832991798_100009879949 [0,1,0,0,0,0|0,0,2]=3 1930 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000743108 [0,1,0,0,0,0|1,0,2]=4 1931 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)O 7a_100000210227_100009879949 [0,1,0,0,0,0|1,0,2]=4 1932 B16R1.91 CCCCOCCC(N)c1ccc(cc1)C 34a_100011661551_100000210210 [0,1,0,0,0,0|3,0,0]=4 1933 B16R1.91 CCCCOCCC(N)c1ccc(cc1)Cl 34a_100000730317_100000210210 [0,1,0,0,0,0|3,0,0]=4 1934 B16R1.91 CCCCOCCC(N)c1ccc(cc1)F 34a_100000752280_100000210210 [0,1,0,0,0,0|3,0,0]=4 1935 B16R1.91 CCCCOCCN(C)c1ccc(cc1)O 269982a_100000182112_100000743108 [0,1,0,0,0,0|3,0,0]=4 1936 B16R1.91 CCCCOCCN(C)c1ccc(cc1)O 34a_100000182112_100000743108 [0,1,0,0,0,0|3,0,0]=4 1937 B16R1.91 CCCCOCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_100000210210 [0,1,0,0,0,0|3,0,0]=4 1938 B16R1.91 CCCCOCC[C@H](N)c1ccc(cc1)N 34a_200020642056_100000210210 [0,1,0,0,0,0|3,0,0]=4 1939 B16R1.91 CCCCOCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011995733 [0,1,0,0,0,0|3,0,0]=4 1940 B16R1.91 CCCCOCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011995733 [0,1,0,0,0,0|3,0,0]=4 1941 B16R1.91 CCCCOCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011995733 [0,1,0,0,0,0|3,0,0]=4 1942 B16R1.91 CCCCOCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011995733 [0,1,0,0,0,0|2,0,0]=3 1943 B16R1.91 CCCCOCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011995733 [0,1,0,0,0,0|3,0,0]=4 1944 B16R1.91 CCCCOCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011995733 [0,1,0,0,0,0|3,0,0]=4 1945 B16R1.91 CCCCOCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011995733 [0,1,0,0,0,0|3,0,0]=4 1946 B16R1.91 CCCCOCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011995733 [0,1,0,0,0,0|3,0,0]=4 1947 B16R1.91 CCCCOCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011995733 [0,1,0,0,0,0|3,0,0]=4 1948 B16R1.91 CCCCOCOC(C)c1ccc(cc1)Br 34a_100000745893_100011995733 [0,1,0,0,0,0|3,0,0]=4 1949 B16R1.91 CCCCOCOC(C)c1ccc(cc1)F 34a_100000181323_100011995733 [0,1,0,0,0,0|3,0,0]=4 1950 B16R1.91 CCCCOCOC(C)c1ccc(cc1)N 34a_100011216399_100011995733 [0,1,0,0,0,0|3,0,0]=4 1951 B16R1.91 CCCCOCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011995733 [0,1,0,0,0,0|3,0,0]=4 1952 B16R1.91 CCCCOCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011995733 [0,1,0,0,0,0|3,0,0]=4 1953 B16R1.91 CCCCOCSC(C)c1ccc(cc1)C 62a_100011261388_100011995733 [0,1,0,0,0,0|3,0,0]=4 1954 B16R1.91 CCCCOCSC(C)c1ccc(cc1)C 62a_100011995733_100011261388 [0,1,0,0,0,0|3,0,0]=4 1955 B16R1.91 CCCCOCSC(C)c1ccc(cc1)Cl 62a_100000684792_100011995733 [0,1,0,0,0,0|3,0,0]=4 1956 B16R1.91 CCCCOCSC(C)c1ccc(cc1)Cl 62a_100011995733_100000684792 [0,1,0,0,0,0|3,0,0]=4 1957 B16R1.91 CCCCOCSC(C)c1ccc(cc1)F 62a_100000743420_100011995733 [0,1,0,0,0,0|3,0,0]=4 1958 B16R1.91 CCCCOCSC(C)c1ccc(cc1)F 62a_100011995733_100000743420 [0,1,0,0,0,0|3,0,0]=4 1959 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)O 62a_100000210211_100009879949 [0,1,0,0,0,0|1,0,2]=4 1960 B16R1.91 CCCOCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011215938 [0,1,0,0,0,0|3,0,0]=4 1961 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)O 62a_100000210303_100000039620 [0,1,0,0,0,0|1,0,2]=4 1962 B16R1.91 CCOCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100012232248 [0,1,0,0,0,0|3,0,0]=4 1963 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)Br 34a_102516460346_100000188085 [0,1,0,0,0,0|1,0,2]=4 1964 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)C 2230a_102516460346_100000211441 [0,1,0,0,0,0|1,0,2]=4 1965 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)C 34a_102516460346_100000211441 [0,1,0,0,0,0|1,0,2]=4 1966 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)I 34a_102516460346_100011216261 [0,1,0,0,0,0|1,0,2]=4 1967 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)O 34a_102516460346_100009814261 [0,1,0,0,0,0|0,0,2]=3 1968 B16R1.91 CCOCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210147 [0,1,0,0,0,0|1,0,0]=2 1969 B16R1.91 CCOCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215890 [0,1,0,0,0,0|1,0,0]=2 1970 B16R1.91 CCOCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210147 [0,1,0,0,0,0|1,0,0]=2 1971 B16R1.91 CCOCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011215890 [0,1,0,0,0,0|1,0,0]=2 1972 B16R1.91 CCOCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210147 [0,1,0,0,0,0|1,0,0]=2 1973 B16R1.91 CCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215890 [0,1,0,0,0,0|1,0,0]=2 1974 B16R1.91 CCOCCNCC(O)c1ccc(cc1)Cl 2230a_102516460346_200011996143 [0,1,0,0,0,0|1,0,0]=2 1975 B16R1.91 CCOCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210147 [0,1,0,0,0,0|1,0,0]=2 1976 B16R1.91 CCOCCNCC(O)c1ccc(cc1)Cl 34a_102516460346_200011996143 [0,1,0,0,0,0|1,0,0]=2 1977 B16R1.91 CCOCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210147 [0,1,0,0,0,0|0,0,0]=1 1978 B16R1.91 CCOCCNC[C@H](O)c1ccc(cc1)F 2230a_102516460346_100000720402 [0,1,0,0,0,0|1,0,0]=2 1979 B16R1.91 CCOCCNC[C@H](O)c1ccc(cc1)F 34a_102516460346_100000720402 [0,1,0,0,0,0|1,0,0]=2 1980 B16R1.91 CCOCCNN=C(C)c1ccc(cc1)O 4a_100000732670_100000185113 [0,1,0,0,0,0|2,0,1]=4 1981 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)O 22a_100000732670_100000212099 [0,1,0,0,0,0|1,0,2]=4 1982 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)O 34a_100000210136_100009814261 [0,1,0,0,0,0|1,0,2]=4 1983 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)O 7a_100000210136_100000018856 [0,1,0,0,0,0|1,0,2]=4 1984 B16R1.91 CCOCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210147 [0,1,0,0,0,0|3,0,0]=4 1985 B16R1.91 CCOCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210147 [0,1,0,0,0,0|3,0,0]=4 1986 B16R1.91 CCOCCOCC(O)c1ccc(cc1)Cl 34a_100000210136_200011996143 [0,1,0,0,0,0|2,0,0]=3 1987 B16R1.91 CCOCCOCC(O)c1ccc(cc1)Cl 7a_100000210136_200011996143 [0,1,0,0,0,0|2,0,0]=3 1988 B16R1.91 CCOCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210147 [0,1,0,0,0,0|3,0,0]=4 1989 B16R1.91 CCOCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210147 [0,1,0,0,0,0|3,0,0]=4 1990 B16R1.91 CCOCCOC[C@H](O)c1ccc(cc1)F 34a_100000210136_100000720402 [0,1,0,0,0,0|2,0,0]=3 1991 B16R1.91 CCOCCOC[C@H](O)c1ccc(cc1)F 7a_100000210136_100000720402 [0,1,0,0,0,0|2,0,0]=3 1992 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)O 62a_100000210147_100009814261 [0,1,0,0,0,0|1,0,2]=4 1993 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011215890 [0,1,0,0,0,0|1,0,2]=4 1994 B16R1.91 CCOCCSCC(O)c1ccc(cc1)Cl 62a_100000210147_200011996143 [0,1,0,0,0,0|2,0,0]=3 1995 B16R1.91 CCOCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215890 [0,1,0,0,0,0|2,0,0]=3 1996 B16R1.91 CCOCCSC[C@H](O)c1ccc(cc1)F 62a_100000210147_100000720402 [0,1,0,0,0,0|2,0,0]=3 1997 B16R1.91 CCOCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215890 [0,1,0,0,0,0|2,0,0]=3 1998 B16R1.91 CCSCCNCC(=O)c1ccc(cc1)C 2230a_100000106463_100000211441 [0,1,0,0,0,0|1,0,2]=4 1999 B16R1.91 CCSCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000757381 [0,1,0,0,0,0|1,0,0]=2 2000 B16R1.91 CCSCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000757381 [0,1,0,0,0,0|1,0,0]=2 2001 B16R1.91 CCSCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000757381 [0,1,0,0,0,0|1,0,0]=2 2002 B16R1.91 CCSCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000757381 [0,1,0,0,0,0|1,0,0]=2 2003 B16R1.91 CCSCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000757381 [0,1,0,0,0,0|1,0,0]=2 2004 B16R1.91 CCSCCNCC(O)c1ccc(cc1)Cl 2230a_100000106463_200011996143 [0,1,0,0,0,0|1,0,0]=2 2005 B16R1.91 CCSCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000757381 [0,1,0,0,0,0|1,0,0]=2 2006 B16R1.91 CCSCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000757381 [0,1,0,0,0,0|1,0,0]=2 2007 B16R1.91 CCSCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000757381 [0,1,0,0,0,0|0,0,0]=1 2008 B16R1.91 CCSCCNC[C@H](O)c1ccc(cc1)F 2230a_100000106463_100000720402 [0,1,0,0,0,0|1,0,0]=2 2009 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)O 34a_100000212035_100009814261 [0,1,0,0,0,0|1,0,2]=4 2010 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)O 7a_100000212035_100000018856 [0,1,0,0,0,0|1,0,2]=4 2011 B16R1.91 CCSCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000757381 [0,1,0,0,0,0|3,0,0]=4 2012 B16R1.91 CCSCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000757381 [0,1,0,0,0,0|3,0,0]=4 2013 B16R1.91 CCSCCOCC(O)c1ccc(cc1)Cl 34a_100000212035_200011996143 [0,1,0,0,0,0|2,0,0]=3 2014 B16R1.91 CCSCCOCC(O)c1ccc(cc1)Cl 7a_100000212035_200011996143 [0,1,0,0,0,0|2,0,0]=3 2015 B16R1.91 CCSCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000757381 [0,1,0,0,0,0|3,0,0]=4 2016 B16R1.91 CCSCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000757381 [0,1,0,0,0,0|3,0,0]=4 2017 B16R1.91 CCSCCOC[C@H](O)c1ccc(cc1)F 34a_100000212035_100000720402 [0,1,0,0,0,0|2,0,0]=3 2018 B16R1.91 CCSCCOC[C@H](O)c1ccc(cc1)F 7a_100000212035_100000720402 [0,1,0,0,0,0|2,0,0]=3 2019 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)O 62a_100000757381_100009814261 [0,1,0,0,0,0|1,0,2]=4 2020 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000757381 [0,1,0,0,0,0|1,0,2]=4 2021 B16R1.91 CCSCCSCC(O)c1ccc(cc1)Cl 62a_100000757381_200011996143 [0,1,0,0,0,0|2,0,0]=3 2022 B16R1.91 CCSCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000757381 [0,1,0,0,0,0|2,0,0]=3 2023 B16R1.91 CCSCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000757381 [0,1,0,0,0,0|2,0,0]=3 2024 B16R1.91 CCSCCSC[C@H](O)c1ccc(cc1)F 62a_100000757381_100000720402 [0,1,0,0,0,0|2,0,0]=3 2025 B16R1.91 CN(CCCCCCF)c1ccc(cc1)O 269982a_100000182112_100015922095 [0,1,0,0,0,0|3,0,0]=4 2026 B16R1.91 CN(CCCCCCF)c1ccc(cc1)O 34a_100000182112_100015922095 [0,1,0,0,0,0|3,0,0]=4 2027 B16R1.91 CN(CCCCCCO)c1ccc(cc1)O 269982a_100000182112_100000766143 [0,1,0,0,0,0|3,0,0]=4 2028 B16R1.91 CN(CCCCCCO)c1ccc(cc1)O 34a_100000182112_100000766143 [0,1,0,0,0,0|3,0,0]=4 2029 B16R1.91 CNCCCOCC(=O)c1ccc(cc1)O 34a_100000213112_100009814261 [0,1,0,0,0,0|1,0,2]=4 2030 B16R1.91 CNCCCOCC(O)c1ccc(cc1)Cl 34a_100000213112_200011996143 [0,1,0,0,0,0|2,0,0]=3 2031 B16R1.91 CNCCCOC[C@H](O)c1ccc(cc1)F 34a_100000213112_100000720402 [0,1,0,0,0,0|2,0,0]=3 2032 B16R1.91 COCCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000730899 [0,1,0,0,0,0|3,0,0]=4 2033 B16R1.91 COCCCNCC(=O)c1ccc(cc1)Br 34a_100150723488_100000188085 [0,1,0,0,0,0|1,0,2]=4 2034 B16R1.91 COCCCNCC(=O)c1ccc(cc1)C 34a_100150723488_100000211441 [0,1,0,0,0,0|1,0,2]=4 2035 B16R1.91 COCCCNCC(=O)c1ccc(cc1)I 34a_100150723488_100011216261 [0,1,0,0,0,0|1,0,2]=4 2036 B16R1.91 COCCCNCC(=O)c1ccc(cc1)O 34a_100150723488_100009814261 [0,1,0,0,0,0|0,0,2]=3 2037 B16R1.91 COCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000740836 [0,1,0,0,0,0|1,0,0]=2 2038 B16R1.91 COCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000740836 [0,1,0,0,0,0|1,0,0]=2 2039 B16R1.91 COCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000740836 [0,1,0,0,0,0|1,0,0]=2 2040 B16R1.91 COCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000740836 [0,1,0,0,0,0|1,0,0]=2 2041 B16R1.91 COCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000740836 [0,1,0,0,0,0|1,0,0]=2 2042 B16R1.91 COCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000740836 [0,1,0,0,0,0|1,0,0]=2 2043 B16R1.91 COCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000740836 [0,1,0,0,0,0|1,0,0]=2 2044 B16R1.91 COCCCNCC(O)c1ccc(cc1)Cl 34a_100150723488_200011996143 [0,1,0,0,0,0|1,0,0]=2 2045 B16R1.91 COCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000740836 [0,1,0,0,0,0|0,0,0]=1 2046 B16R1.91 COCCCNC[C@H](O)c1ccc(cc1)F 34a_100150723488_100000720402 [0,1,0,0,0,0|1,0,0]=2 2047 B16R1.91 COCCCNNC(=O)c1ccc(cc1)O 22a_100025702787_100000212099 [0,1,0,0,0,0|1,0,2]=4 2048 B16R1.91 COCCCOCC(=O)c1ccc(cc1)O 34a_100000740835_100009814261 [0,1,0,0,0,0|1,0,2]=4 2049 B16R1.91 COCCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000740836 [0,1,0,0,0,0|3,0,0]=4 2050 B16R1.91 COCCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000740836 [0,1,0,0,0,0|3,0,0]=4 2051 B16R1.91 COCCCOCC(O)c1ccc(cc1)Cl 34a_100000740835_200011996143 [0,1,0,0,0,0|2,0,0]=3 2052 B16R1.91 COCCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000740836 [0,1,0,0,0,0|3,0,0]=4 2053 B16R1.91 COCCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000740836 [0,1,0,0,0,0|3,0,0]=4 2054 B16R1.91 COCCCOC[C@H](O)c1ccc(cc1)F 34a_100000740835_100000720402 [0,1,0,0,0,0|2,0,0]=3 2055 B16R1.91 COCCCSCC(=O)c1ccc(cc1)O 62a_100000709357_100009814261 [0,1,0,0,0,0|1,0,2]=4 2056 B16R1.91 COCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000709357 [0,1,0,0,0,0|1,0,2]=4 2057 B16R1.91 COCCCSCC(O)c1ccc(cc1)Cl 62a_100000709357_200011996143 [0,1,0,0,0,0|2,0,0]=3 2058 B16R1.91 COCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000709357 [0,1,0,0,0,0|2,0,0]=3 2059 B16R1.91 COCCCSC[C@H](O)c1ccc(cc1)F 62a_100000709357_100000720402 [0,1,0,0,0,0|2,0,0]=3 2060 B16R1.91 COCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000709357 [0,1,0,0,0,0|2,0,0]=3 2061 B16R1.91 COCCNCCC(=O)c1ccc(cc1)O 2230a_100000209980_100009879949 [0,1,0,0,0,0|1,0,2]=4 2062 B16R1.91 COCCOCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000231047 [0,1,0,0,0,0|3,0,0]=4 2063 B16R1.91 CSCCCNCC(=O)c1ccc(cc1)C 2230a_100000749238_100000211441 [0,1,0,0,0,0|1,0,2]=4 2064 B16R1.91 CSCCCNCC(O)c1ccc(cc1)Cl 2230a_100000749238_200011996143 [0,1,0,0,0,0|1,0,0]=2 2065 B16R1.91 CSCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000749238_100000720402 [0,1,0,0,0,0|1,0,0]=2 2066 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)O 34a_100000690336_100009814261 [0,1,0,0,0,0|1,0,2]=4 2067 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)O 7a_100000690336_100000018856 [0,1,0,0,0,0|1,0,2]=4 2068 B16R1.91 CSCCCOCC(O)c1ccc(cc1)Cl 34a_100000690336_200011996143 [0,1,0,0,0,0|2,0,0]=3 2069 B16R1.91 CSCCCOCC(O)c1ccc(cc1)Cl 7a_100000690336_200011996143 [0,1,0,0,0,0|2,0,0]=3 2070 B16R1.91 CSCCCOC[C@H](O)c1ccc(cc1)F 34a_100000690336_100000720402 [0,1,0,0,0,0|2,0,0]=3 2071 B16R1.91 CSCCCOC[C@H](O)c1ccc(cc1)F 7a_100000690336_100000720402 [0,1,0,0,0,0|2,0,0]=3 2072 B16R1.91 CSCCNCCC(=O)c1ccc(cc1)O 2230a_100020590264_100009879949 [0,1,0,0,0,0|1,0,2]=4 2073 B16R1.91 C[C@H](NCCCCCF)c1ccc(cc1)O 2230a_100161106496_100000729378 [0,1,0,0,0,0|3,0,0]=4 2074 B16R1.91 C[C@H](NCCCCCO)c1ccc(cc1)O 2230a_100161106496_100000746330 [0,1,0,0,0,0|3,0,0]=4 2075 B16R1.91 Cc1ccc(cc1)C(=O)CNCCCCO 2230a_100000750430_100000211441 [0,1,0,0,0,0|1,0,2]=4 2076 B16R1.91 Cc1ccc(cc1)C(=O)CNCCCCO 34a_100000750430_100000211441 [0,1,0,0,0,0|1,0,2]=4 2077 B16R1.91 Cc1ccc(cc1)C(O)CNCC#CCO 2230a_200020610344_200000047223 [0,1,0,0,0,0|1,0,2]=4 2078 B16R1.91 Cc1ccc(cc1)C(O)CNCC#CCO 34a_200020610344_200000047223 [0,1,0,0,0,0|1,0,2]=4 2079 B16R1.91 Cc1ccc(cc1)C(O)CNCCCC#N 2230a_200020610344_100000687738 [0,1,0,0,0,0|1,0,1]=3 2080 B16R1.91 Cc1ccc(cc1)C(O)CNCCCC=O 2230a_200020610344_200011292268 [0,1,0,0,0,0|1,0,1]=3 2081 B16R1.91 Cc1ccc(cc1)C(O)CNCCCCF 2230a_200020610344_100000729493 [0,1,0,0,0,0|1,0,0]=2 2082 B16R1.91 Cc1ccc(cc1)C(O)CNCCCCF 34a_200020610344_100000729493 [0,1,0,0,0,0|1,0,0]=2 2083 B16R1.91 Cc1ccc(cc1)C(O)CNCCCCO 2230a_200020610344_100000210776 [0,1,0,0,0,0|1,0,0]=2 2084 B16R1.91 Cc1ccc(cc1)C(O)CNCCCCO 34a_200020610344_100011216708 [0,1,0,0,0,0|1,0,0]=2 2085 B16R1.91 Cc1ccc(cc1)[C@@H](N)COCCCCF 34a_100009818840_100000729493 [0,1,0,0,0,0|3,0,0]=4 2086 B16R1.91 Cc1ccc(cc1)[C@@H](N)COCCCCO 34a_100009818840_100011216708 [0,1,0,0,0,0|3,0,0]=4 2087 B16R1.91 N#CCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000687738 [0,1,0,0,0,0|1,0,1]=3 2088 B16R1.91 N#CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000687738 [0,1,0,0,0,0|1,0,1]=3 2089 B16R1.91 N#CCCCSCC(O)c1ccc(cc1)Cl 62a_100000687738_200011996143 [0,1,0,0,0,0|2,0,1]=4 2090 B16R1.91 N#CCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000687738 [0,1,0,0,0,0|2,0,1]=4 2091 B16R1.91 N#CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000687738_100000720402 [0,1,0,0,0,0|2,0,1]=4 2092 B16R1.91 N#CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000687738 [0,1,0,0,0,0|2,0,1]=4 2093 B16R1.91 NC(COCCCCF)c1ccc(cc1)Br 34a_100000734186_100000729493 [0,1,0,0,0,0|3,0,0]=4 2094 B16R1.91 NC(COCCCCF)c1ccc(cc1)F 34a_100000705410_100000729493 [0,1,0,0,0,0|3,0,0]=4 2095 B16R1.91 NC(COCCCCO)c1ccc(cc1)Br 34a_100000734186_100011216708 [0,1,0,0,0,0|3,0,0]=4 2096 B16R1.91 NC(COCCCCO)c1ccc(cc1)F 34a_100000705410_100011216708 [0,1,0,0,0,0|3,0,0]=4 2097 B16R1.91 NCCCCOCC(=O)c1ccc(cc1)O 34a_100000750430_100009814261 [0,1,0,0,0,0|1,0,2]=4 2098 B16R1.91 NCCCCOCC(O)c1ccc(cc1)Cl 34a_100000750430_200011996143 [0,1,0,0,0,0|2,0,0]=3 2099 B16R1.91 NCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000750430_100000720402 [0,1,0,0,0,0|2,0,0]=3 2100 B16R1.91 N[C@H](COCCCCF)c1ccc(cc1)Cl 34a_100009818818_100000729493 [0,1,0,0,0,0|3,0,0]=4 2101 B16R1.91 N[C@H](COCCCCO)c1ccc(cc1)Cl 34a_100009818818_100011216708 [0,1,0,0,0,0|3,0,0]=4 2102 B16R1.91 O=C(CCCCCCF)c1ccc(cc1)O 1458a_100000212099_100015922095 [0,1,0,0,0,0|1,0,2]=4 2103 B16R1.91 O=C(CCCCCCO)c1ccc(cc1)O 1458a_100000212099_100000766143 [0,1,0,0,0,0|1,0,2]=4 2104 B16R1.91 O=C(CCNCCCF)c1ccc(cc1)O 2230a_100015189416_100009879949 [0,1,0,0,0,0|1,0,2]=4 2105 B16R1.91 O=C(CNCCCCO)c1ccc(cc1)Br 34a_100000750430_100000188085 [0,1,0,0,0,0|1,0,2]=4 2106 B16R1.91 O=C(CNCCCCO)c1ccc(cc1)I 34a_100000750430_100011216261 [0,1,0,0,0,0|1,0,2]=4 2107 B16R1.91 O=C(CNCCCCO)c1ccc(cc1)O 34a_100000750430_100009814261 [0,1,0,0,0,0|0,0,2]=3 2108 B16R1.91 O=C(COCCCCBr)c1ccc(cc1)O 34a_100011216708_100009814261 [0,1,0,0,0,0|1,0,2]=4 2109 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)O 34a_100000210776_100009814261 [0,1,0,0,0,0|1,0,2]=4 2110 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)O 7a_100000210776_100000018856 [0,1,0,0,0,0|1,0,2]=4 2111 B16R1.91 O=C(COCCCCF)c1ccc(cc1)O 34a_100011995726_100009814261 [0,1,0,0,0,0|1,0,2]=4 2112 B16R1.91 O=C(COCCCCF)c1ccc(cc1)O 7a_100011995726_100000018856 [0,1,0,0,0,0|1,0,2]=4 2113 B16R1.91 O=C(COCCCCI)c1ccc(cc1)O 34a_200012148704_100009814261 [0,1,0,0,0,0|1,0,2]=4 2114 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)O 62a_100000729493_100009814261 [0,1,0,0,0,0|1,0,2]=4 2115 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)O 62a_100009814261_100000729493 [0,1,0,0,0,0|1,0,2]=4 2116 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)O 62a_100000210776_100009814261 [0,1,0,0,0,0|1,0,2]=4 2117 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)O 62a_100009814261_100000210776 [0,1,0,0,0,0|1,0,2]=4 2118 B16R1.91 O=CCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200011292268 [0,1,0,0,0,0|1,0,1]=3 2119 B16R1.91 O=CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200011292268 [0,1,0,0,0,0|1,0,1]=3 2120 B16R1.91 O=CCCCSCC(O)c1ccc(cc1)Cl 62a_200011292268_200011996143 [0,1,0,0,0,0|2,0,1]=4 2121 B16R1.91 O=CCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_200011292268 [0,1,0,0,0,0|2,0,1]=4 2122 B16R1.91 O=CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200011292268 [0,1,0,0,0,0|2,0,1]=4 2123 B16R1.91 O=CCCCSC[C@H](O)c1ccc(cc1)F 62a_200011292268_100000720402 [0,1,0,0,0,0|2,0,1]=4 2124 B16R1.91 OC(CNCCCCF)c1ccc(cc1)Br 2230a_100020626992_100000729493 [0,1,0,0,0,0|1,0,0]=2 2125 B16R1.91 OC(CNCCCCF)c1ccc(cc1)Br 34a_100020626992_100000729493 [0,1,0,0,0,0|1,0,0]=2 2126 B16R1.91 OC(CNCCCCF)c1ccc(cc1)Cl 2230a_100000736658_100000729493 [0,1,0,0,0,0|1,0,0]=2 2127 B16R1.91 OC(CNCCCCF)c1ccc(cc1)Cl 34a_100000736658_100000729493 [0,1,0,0,0,0|1,0,0]=2 2128 B16R1.91 OC(COCCCCBr)c1ccc(cc1)Cl 34a_100011216708_200011996143 [0,1,0,0,0,0|2,0,0]=3 2129 B16R1.91 OC(COCCCCCl)c1ccc(cc1)Cl 34a_100000210776_200011996143 [0,1,0,0,0,0|2,0,0]=3 2130 B16R1.91 OC(COCCCCCl)c1ccc(cc1)Cl 7a_100000210776_200011996143 [0,1,0,0,0,0|2,0,0]=3 2131 B16R1.91 OC(COCCCCF)c1ccc(cc1)Cl 34a_100011995726_200011996143 [0,1,0,0,0,0|2,0,0]=3 2132 B16R1.91 OC(COCCCCF)c1ccc(cc1)Cl 7a_100011995726_200011996143 [0,1,0,0,0,0|2,0,0]=3 2133 B16R1.91 OC(COCCCCI)c1ccc(cc1)Cl 34a_200012148704_200011996143 [0,1,0,0,0,0|2,0,0]=3 2134 B16R1.91 OC(CSCCCCF)c1ccc(cc1)Cl 62a_100000729493_200011996143 [0,1,0,0,0,0|2,0,0]=3 2135 B16R1.91 OC(CSCCCCF)c1ccc(cc1)Cl 62a_200011996143_100000729493 [0,1,0,0,0,0|2,0,0]=3 2136 B16R1.91 OCC#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000047223 [0,1,0,0,0,0|1,0,2]=4 2137 B16R1.91 OCC#CCNCC(O)c1ccc(cc1)Br 34a_100020626992_200000047223 [0,1,0,0,0,0|1,0,2]=4 2138 B16R1.91 OCC#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000047223 [0,1,0,0,0,0|1,0,2]=4 2139 B16R1.91 OCC#CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000047223 [0,1,0,0,0,0|1,0,2]=4 2140 B16R1.91 OCC#CCNCC(O)c1ccc(cc1)O 34a_100000067596_200000047223 [0,1,0,0,0,0|0,0,2]=3 2141 B16R1.91 OCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210776 [0,1,0,0,0,0|1,0,0]=2 2142 B16R1.91 OCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011216708 [0,1,0,0,0,0|1,0,0]=2 2143 B16R1.91 OCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210776 [0,1,0,0,0,0|1,0,0]=2 2144 B16R1.91 OCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000750430_200011996143 [0,1,0,0,0,0|1,0,0]=2 2145 B16R1.91 OCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011216708 [0,1,0,0,0,0|1,0,0]=2 2146 B16R1.91 OCCCCNCC(O)c1ccc(cc1)Cl 34a_100000750430_200011996143 [0,1,0,0,0,0|1,0,0]=2 2147 B16R1.91 OCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100011216708 [0,1,0,0,0,0|0,0,0]=1 2148 B16R1.91 OCCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000750430_100000720402 [0,1,0,0,0,0|1,0,0]=2 2149 B16R1.91 OCCCCNC[C@H](O)c1ccc(cc1)F 34a_100000750430_100000720402 [0,1,0,0,0,0|1,0,0]=2 2150 B16R1.91 OCCCCSCC(O)c1ccc(cc1)Cl 62a_100000210776_200011996143 [0,1,0,0,0,0|2,0,0]=3 2151 B16R1.91 OCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210776 [0,1,0,0,0,0|2,0,0]=3 2152 B16R1.91 OCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000210776_100000720402 [0,1,0,0,0,0|2,0,0]=3 2153 B16R1.91 OCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210776 [0,1,0,0,0,0|2,0,0]=3 2154 B16R1.91 O[C@@H](COCCCCBr)c1ccc(cc1)F 34a_100011216708_100000720402 [0,1,0,0,0,0|2,0,0]=3 2155 B16R1.91 O[C@@H](COCCCCCl)c1ccc(cc1)F 34a_100000210776_100000720402 [0,1,0,0,0,0|2,0,0]=3 2156 B16R1.91 O[C@@H](COCCCCCl)c1ccc(cc1)F 7a_100000210776_100000720402 [0,1,0,0,0,0|2,0,0]=3 2157 B16R1.91 O[C@@H](COCCCCF)c1ccc(cc1)F 34a_100011995726_100000720402 [0,1,0,0,0,0|2,0,0]=3 2158 B16R1.91 O[C@@H](COCCCCF)c1ccc(cc1)F 7a_100011995726_100000720402 [0,1,0,0,0,0|2,0,0]=3 2159 B16R1.91 O[C@@H](COCCCCI)c1ccc(cc1)F 34a_200012148704_100000720402 [0,1,0,0,0,0|2,0,0]=3 2160 B16R1.91 O[C@@H](CSCCCCF)c1ccc(cc1)F 62a_100000720402_100000729493 [0,1,0,0,0,0|2,0,0]=3 2161 B16R1.91 O[C@@H](CSCCCCF)c1ccc(cc1)F 62a_100000729493_100000720402 [0,1,0,0,0,0|2,0,0]=3 2162 B16R1.91 Oc1ccc(cc1)C(O)CNCCCCF 34a_100000067596_100000729493 [0,1,0,0,0,0|0,0,0]=1 2163 B16R1.91 [2H]C(OCCCCCC)c1ccc(cc1)F 34a_217856618577_100000210314 [0,1,0,0,0,0|3,0,0]=4 2164 B16R1.91 [2H]C(OCCCCCC)c1ccc(cc1)F 7a_217856618577_100000210314 [0,1,0,0,0,0|3,0,0]=4 2165 B16R1.91 [2H]C(OCOCCCC)c1ccc(cc1)F 34a_217856618577_100011995733 [0,1,0,0,0,0|3,0,0]=4 2166 B16R1.647 CC(C)(CNCCCF)c1ccc(cc1)Br 270004a_100015189416_100010228009 [0,1,0,0,0,0|3,0,0]=4 2167 B16R1.647 CC(C)(CNCCCF)c1ccc(cc1)Cl 2230a_100000742012_100011934791 [0,1,0,0,0,0|3,0,0]=4 2168 B16R1.647 CC(C)(CNCCCO)c1ccc(cc1)Br 270004a_100000182051_100010228009 [0,1,0,0,0,0|3,0,0]=4 2169 B16R1.647 CC(C)(CNCCCO)c1ccc(cc1)Cl 2230a_100000742012_100000230001 [0,1,0,0,0,0|3,0,0]=4 2170 B16R1.647 CCCCNCC(C)(C)c1ccc(cc1)Br 270004a_100000102301_100010228009 [0,1,0,0,0,0|2,0,0]=3 2171 B16R1.647 CCCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210211 [0,1,0,0,0,0|2,0,0]=3 2172 B16R1.647 CCCCOCC(C)(C)c1ccc(cc1)Cl 34a_100000068334_100000210210 [0,1,0,0,0,0|3,0,0]=4 2173 B16R1.647 CCCCOCC(C)(C)c1ccc(cc1)Cl 7a_100000068334_100000210211 [0,1,0,0,0,0|3,0,0]=4 2174 B16R1.647 CCCCOCC(C)(C)c1ccc(cc1)N 34a_103496529068_100000210210 [0,1,0,0,0,0|3,0,0]=4 2175 B16R1.647 CCCCOCC(F)(F)c1ccc(cc1)Br 34a_100000210227_100010185546 [0,1,0,0,0,0|3,0,0]=4 2176 B16R1.647 COCCNCC(C)(C)c1ccc(cc1)Br 270004a_100000209980_100010228009 [0,1,0,0,0,0|3,0,0]=4 2177 B16R1.647 COCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100011201679 [0,1,0,0,0,0|3,0,0]=4 2178 B16R1.647 CSCCNCC(C)(C)c1ccc(cc1)Br 270004a_100020590264_100010228009 [0,1,0,0,0,0|3,0,0]=4 2179 B16R1.647 CSCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000751147 [0,1,0,0,0,0|3,0,0]=4 2180 B16R1.647 FCCCNCC(F)(F)c1ccc(cc1)Br 34a_100015189416_100010185546 [0,1,0,0,0,0|3,0,0]=4 2181 B16R1.1026 C=C(C)CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000730704 [0,1,0,0,0,0|1,0,1]=3 2182 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000730704 [0,1,0,0,0,0|1,0,1]=3 2183 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000730704 [0,1,0,0,0,0|1,0,1]=3 2184 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000730704 [0,1,0,0,0,0|1,0,1]=3 2185 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000730704 [0,1,0,0,0,0|1,0,1]=3 2186 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000730704 [0,1,0,0,0,0|1,0,1]=3 2187 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000730704 [0,1,0,0,0,0|1,0,1]=3 2188 B16R1.1026 C=C(C)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000730704 [0,1,0,0,0,0|0,0,1]=2 2189 B16R1.1026 C=C(C)CCOCC(O)c1ccc(cc1)Cl 34a_100000764851_200011996143 [0,1,0,0,0,0|2,0,1]=4 2190 B16R1.1026 C=C(C)CCOC[C@H](O)c1ccc(cc1)F 34a_100000764851_100000720402 [0,1,0,0,0,0|2,0,1]=4 2191 B16R1.1026 C=C(C)CCSCC(O)c1ccc(cc1)Cl 62a_100000730704_200011996143 [0,1,0,0,0,0|2,0,1]=4 2192 B16R1.1026 C=C(C)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000730704 [0,1,0,0,0,0|2,0,1]=4 2193 B16R1.1026 C=C(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000730704 [0,1,0,0,0,0|2,0,1]=4 2194 B16R1.1026 C=C(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000730704_100000720402 [0,1,0,0,0,0|2,0,1]=4 2195 B16R1.1026 CC(=CCNCC(C)c1ccc(cc1)O)C 34a_200015188644_100000761012 [0,1,0,0,0,0|1,0,2]=4 2196 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Br)C 2230a_100020626992_100000761012 [0,1,0,0,0,0|1,0,2]=4 2197 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Br)C 34a_100020626992_100000761012 [0,1,0,0,0,0|1,0,2]=4 2198 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)C)C 2230a_200020610344_100000761012 [0,1,0,0,0,0|1,0,2]=4 2199 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)C)C 34a_200020610344_100000761012 [0,1,0,0,0,0|1,0,2]=4 2200 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Cl)C 2230a_100000736658_100000761012 [0,1,0,0,0,0|1,0,2]=4 2201 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Cl)C 34a_100000718196_200011996143 [0,1,0,0,0,0|1,0,2]=4 2202 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Cl)C 34a_100000736658_100000761012 [0,1,0,0,0,0|1,0,2]=4 2203 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)O)C 34a_100000067596_100000761012 [0,1,0,0,0,0|0,0,2]=3 2204 B16R1.1026 CC(=CCNC[C@H](O)c1ccc(cc1)F)C 34a_100000718196_100000720402 [0,1,0,0,0,0|1,0,2]=4 2205 B16R1.1026 CC(=O)CCOCC(O)c1ccc(cc1)Cl 34a_100000759926_200011996143 [0,1,0,0,0,0|2,0,1]=4 2206 B16R1.1026 CC(=O)CCOCC(O)c1ccc(cc1)Cl 7a_100000759926_200011996143 [0,1,0,0,0,0|2,0,1]=4 2207 B16R1.1026 CC(=O)CCOC[C@H](O)c1ccc(cc1)F 34a_100000759926_100000720402 [0,1,0,0,0,0|2,0,1]=4 2208 B16R1.1026 CC(=O)CCOC[C@H](O)c1ccc(cc1)F 7a_100000759926_100000720402 [0,1,0,0,0,0|2,0,1]=4 2209 B16R1.1026 CC(=O)CCSCC(O)c1ccc(cc1)Cl 62a_100000053229_200011996143 [0,1,0,0,0,0|2,0,1]=4 2210 B16R1.1026 CC(=O)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000053229 [0,1,0,0,0,0|2,0,1]=4 2211 B16R1.1026 CC(=O)CCSC[C@H](O)c1ccc(cc1)F 62a_100000053229_100000720402 [0,1,0,0,0,0|2,0,1]=4 2212 B16R1.1026 CC(=O)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000053229 [0,1,0,0,0,0|2,0,1]=4 2213 B16R1.1026 CC(=O)OCNCC(C)c1ccc(cc1)O 34a_200015188644_100009813279 [0,1,0,0,0,0|2,0,1]=4 2214 B16R1.1026 CC(=O)OCNCC(O)c1ccc(cc1)Br 34a_100020626992_100009813279 [0,1,0,0,0,0|2,0,1]=4 2215 B16R1.1026 CC(=O)OCNCC(O)c1ccc(cc1)C 34a_200020610344_100009813279 [0,1,0,0,0,0|2,0,1]=4 2216 B16R1.1026 CC(=O)OCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009813279 [0,1,0,0,0,0|2,0,1]=4 2217 B16R1.1026 CC(=O)OCNCC(O)c1ccc(cc1)O 34a_100000067596_100009813279 [0,1,0,0,0,0|1,0,1]=3 2218 B16R1.1026 CC(Br)CCOCC(=O)c1ccc(cc1)O 34a_100009893172_100009814261 [0,1,0,0,0,0|1,0,2]=4 2219 B16R1.1026 CC(Br)CCOCC(O)c1ccc(cc1)Cl 34a_100009893172_200011996143 [0,1,0,0,0,0|2,0,0]=3 2220 B16R1.1026 CC(Br)CCOC[C@H](O)c1ccc(cc1)F 34a_100009893172_100000720402 [0,1,0,0,0,0|2,0,0]=3 2221 B16R1.1026 CC(C)CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011216152 [0,1,0,0,0,0|1,0,2]=4 2222 B16R1.1026 CC(C)CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100011216152 [0,1,0,0,0,0|3,0,0]=4 2223 B16R1.1026 CC(C)CCCCN(C)c1ccc(cc1)O 34a_100000182112_100011216152 [0,1,0,0,0,0|3,0,0]=4 2224 B16R1.1026 CC(C)CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011214892 [0,1,0,0,0,0|3,0,0]=4 2225 B16R1.1026 CC(C)CCNCC(C)c1ccc(cc1)O 269862a_200015188644_100000185833 [0,1,0,0,0,0|1,0,0]=2 2226 B16R1.1026 CC(C)CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210312 [0,1,0,0,0,0|1,0,0]=2 2227 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210312 [0,1,0,0,0,0|1,0,0]=2 2228 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)Br 269862a_100020626992_100000185833 [0,1,0,0,0,0|1,0,0]=2 2229 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210312 [0,1,0,0,0,0|1,0,0]=2 2230 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210312 [0,1,0,0,0,0|1,0,0]=2 2231 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)Cl 269862a_100000736658_100000185833 [0,1,0,0,0,0|1,0,0]=2 2232 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210312 [0,1,0,0,0,0|1,0,0]=2 2233 B16R1.1026 CC(C)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210312 [0,1,0,0,0,0|0,0,0]=1 2234 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)O 34a_100000210254_100009814261 [0,1,0,0,0,0|1,0,2]=4 2235 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)O 7a_100000210254_100000018856 [0,1,0,0,0,0|1,0,2]=4 2236 B16R1.1026 CC(C)CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210312 [0,1,0,0,0,0|3,0,0]=4 2237 B16R1.1026 CC(C)CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210312 [0,1,0,0,0,0|3,0,0]=4 2238 B16R1.1026 CC(C)CCOCC(O)c1ccc(cc1)Cl 34a_100000210254_200011996143 [0,1,0,0,0,0|2,0,0]=3 2239 B16R1.1026 CC(C)CCOCC(O)c1ccc(cc1)Cl 7a_100000210254_200011996143 [0,1,0,0,0,0|2,0,0]=3 2240 B16R1.1026 CC(C)CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210312 [0,1,0,0,0,0|3,0,0]=4 2241 B16R1.1026 CC(C)CCOC[C@H](O)c1ccc(cc1)F 34a_100000210254_100000720402 [0,1,0,0,0,0|2,0,0]=3 2242 B16R1.1026 CC(C)CCOC[C@H](O)c1ccc(cc1)F 7a_100000210254_100000720402 [0,1,0,0,0,0|2,0,0]=3 2243 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)O 62a_100000210312_100009814261 [0,1,0,0,0,0|1,0,2]=4 2244 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210312 [0,1,0,0,0,0|1,0,2]=4 2245 B16R1.1026 CC(C)CCSCC(O)c1ccc(cc1)Cl 62a_100000210312_200011996143 [0,1,0,0,0,0|2,0,0]=3 2246 B16R1.1026 CC(C)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210312 [0,1,0,0,0,0|2,0,0]=3 2247 B16R1.1026 CC(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000210312_100000720402 [0,1,0,0,0,0|2,0,0]=3 2248 B16R1.1026 CC(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210312 [0,1,0,0,0,0|2,0,0]=3 2249 B16R1.1026 CC(C)OCNCC(C)c1ccc(cc1)O 34a_200015188644_100000709892 [0,1,0,0,0,0|2,0,0]=3 2250 B16R1.1026 CC(C)OCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000709892 [0,1,0,0,0,0|2,0,0]=3 2251 B16R1.1026 CC(C)OCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000709892 [0,1,0,0,0,0|2,0,0]=3 2252 B16R1.1026 CC(C)OCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000709892 [0,1,0,0,0,0|2,0,0]=3 2253 B16R1.1026 CC(C)OCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000709892 [0,1,0,0,0,0|2,0,0]=3 2254 B16R1.1026 CC(C)OCNCC(O)c1ccc(cc1)O 34a_100000067596_100000709892 [0,1,0,0,0,0|1,0,0]=2 2255 B16R1.1026 CC(C)OCSCC(O)c1ccc(cc1)Cl 62a_100000709892_200011996143 [0,1,0,0,0,0|3,0,0]=4 2256 B16R1.1026 CC(C)OCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000709892 [0,1,0,0,0,0|3,0,0]=4 2257 B16R1.1026 CC(C)OCSC[C@H](O)c1ccc(cc1)F 62a_100000709892_100000720402 [0,1,0,0,0,0|3,0,0]=4 2258 B16R1.1026 CC(C)OCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000709892 [0,1,0,0,0,0|3,0,0]=4 2259 B16R1.1026 CC(CNCCC(=O)N)c1ccc(cc1)O 34a_200015188644_100000731001 [0,1,0,0,0,0|2,0,1]=4 2260 B16R1.1026 CC(O)CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000718107 [0,1,0,0,0,0|3,0,0]=4 2261 B16R1.1026 CC(O)CCNCC(C)c1ccc(cc1)O 34a_200015188644_100012276601 [0,1,0,0,0,0|1,0,0]=2 2262 B16R1.1026 CC(O)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100012276601 [0,1,0,0,0,0|1,0,0]=2 2263 B16R1.1026 CC(O)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100012276601 [0,1,0,0,0,0|1,0,0]=2 2264 B16R1.1026 CC(O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100012276601 [0,1,0,0,0,0|1,0,0]=2 2265 B16R1.1026 CC(O)CCNCC(O)c1ccc(cc1)Cl 2230a_200000755665_200011996143 [0,1,0,0,0,0|1,0,0]=2 2266 B16R1.1026 CC(O)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100012276601 [0,1,0,0,0,0|1,0,0]=2 2267 B16R1.1026 CC(O)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100012276601 [0,1,0,0,0,0|0,0,0]=1 2268 B16R1.1026 CC(O)CCNC[C@H](O)c1ccc(cc1)F 2230a_200000755665_100000720402 [0,1,0,0,0,0|1,0,0]=2 2269 B16R1.1026 CC(O)CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100012276601 [0,1,0,0,0,0|3,0,0]=4 2270 B16R1.1026 CC(O)CCOCC(N)c1ccc(cc1)F 34a_100000705410_100012276601 [0,1,0,0,0,0|3,0,0]=4 2271 B16R1.1026 CC(O)CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100012276601 [0,1,0,0,0,0|3,0,0]=4 2272 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100012276601 [0,1,0,0,0,0|1,0,2]=4 2273 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)O 62a_100012276601_100009814261 [0,1,0,0,0,0|1,0,2]=4 2274 B16R1.1026 CC(O)CCSCC(O)c1ccc(cc1)Cl 62a_100012276601_200011996143 [0,1,0,0,0,0|2,0,0]=3 2275 B16R1.1026 CC(O)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100012276601 [0,1,0,0,0,0|2,0,0]=3 2276 B16R1.1026 CC(O)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100012276601 [0,1,0,0,0,0|2,0,0]=3 2277 B16R1.1026 CC(O)CCSC[C@H](O)c1ccc(cc1)F 62a_100012276601_100000720402 [0,1,0,0,0,0|2,0,0]=3 2278 B16R1.1026 CN(C)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000755713 [0,1,0,0,0,0|3,0,0]=4 2279 B16R1.1026 CN(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000755713 [0,1,0,0,0,0|3,0,0]=4 2280 B16R1.1026 C[C@@H](N)CCOCC(=O)c1ccc(cc1)O 34a_100000706166_100009814261 [0,1,0,0,0,0|1,0,2]=4 2281 B16R1.1026 C[C@@H](N)CCOCC(O)c1ccc(cc1)Cl 34a_100000706166_200011996143 [0,1,0,0,0,0|2,0,0]=3 2282 B16R1.1026 C[C@@H](N)CCOC[C@H](O)c1ccc(cc1)F 34a_100000706166_100000720402 [0,1,0,0,0,0|2,0,0]=3 2283 B16R1.1026 Cc1ccc(cc1)C(=O)CNCCC(C)O 2230a_200000755665_100000211441 [0,1,0,0,0,0|1,0,2]=4 2284 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(=O)N 2230a_200020610344_100000744528 [0,1,0,0,0,0|2,0,1]=4 2285 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(=O)N 34a_200020610344_100000731001 [0,1,0,0,0,0|2,0,1]=4 2286 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(C)C 2230a_200020610344_100000210312 [0,1,0,0,0,0|1,0,0]=2 2287 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(C)C 269862a_200020610344_100000185833 [0,1,0,0,0,0|1,0,0]=2 2288 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(C)C 34a_200020610344_100000210312 [0,1,0,0,0,0|1,0,0]=2 2289 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(C)O 2230a_200020610344_100012276601 [0,1,0,0,0,0|1,0,0]=2 2290 B16R1.1026 Cc1ccc(cc1)C(O)CNCCC(C)O 34a_200020610344_100012276601 [0,1,0,0,0,0|1,0,0]=2 2291 B16R1.1026 Cc1ccc(cc1)C(O)CNCOC(C)C 2230a_200020610344_100000709892 [0,1,0,0,0,0|2,0,0]=3 2292 B16R1.1026 Cc1ccc(cc1)C(O)CNCOC(C)C 34a_200020610344_100000709892 [0,1,0,0,0,0|2,0,0]=3 2293 B16R1.1026 Cc1ccc(cc1)[C@@H](N)COCCC(C)C 34a_100009818840_100000210312 [0,1,0,0,0,0|3,0,0]=4 2294 B16R1.1026 Cc1ccc(cc1)[C@@H](N)COCCC(C)O 34a_100009818840_100012276601 [0,1,0,0,0,0|3,0,0]=4 2295 B16R1.1026 NC(=O)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000744528 [0,1,0,0,0,0|2,0,1]=4 2296 B16R1.1026 NC(=O)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000731001 [0,1,0,0,0,0|2,0,1]=4 2297 B16R1.1026 NC(=O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000744528 [0,1,0,0,0,0|2,0,1]=4 2298 B16R1.1026 NC(=O)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000731001 [0,1,0,0,0,0|2,0,1]=4 2299 B16R1.1026 NC(=O)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000731001 [0,1,0,0,0,0|1,0,1]=3 2300 B16R1.1026 OC(COCCC(F)F)c1ccc(cc1)Cl 34a_100103093639_200011996143 [0,1,0,0,0,0|3,0,0]=4 2301 B16R1.1026 O[C@@H](COCCC(F)F)c1ccc(cc1)F 34a_100103093639_100000720402 [0,1,0,0,0,0|3,0,0]=4 2302 B16R1.1142 C=C(C#N)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000694840 [0,1,0,0,0,0|1,0,2]=4 2303 B16R1.1142 C=CC(O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000730141 [0,1,0,0,0,0|1,0,2]=4 2304 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000730141 [0,1,0,0,0,0|1,0,2]=4 2305 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000730141 [0,1,0,0,0,0|1,0,2]=4 2306 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000730141 [0,1,0,0,0,0|1,0,2]=4 2307 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000730141 [0,1,0,0,0,0|1,0,2]=4 2308 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000730141 [0,1,0,0,0,0|1,0,2]=4 2309 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000730141 [0,1,0,0,0,0|1,0,2]=4 2310 B16R1.1142 C=CC(O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000730141 [0,1,0,0,0,0|0,0,2]=3 2311 B16R1.1142 CC(CN)COCC(O)c1ccc(cc1)Cl 34a_100000744482_200011996143 [0,1,0,0,0,0|3,0,0]=4 2312 B16R1.1142 CC(CN)COC[C@H](O)c1ccc(cc1)F 34a_100000744482_100000720402 [0,1,0,0,0,0|3,0,0]=4 2313 B16R1.1142 CC(CNCC(O)CO)c1ccc(cc1)O 34a_200015188644_100011219619 [0,1,0,0,0,0|2,0,0]=3 2314 B16R1.1142 CC(CNC[C@@H](C)CO)c1ccc(cc1)O 34a_200015188644_100000059175 [0,1,0,0,0,0|2,0,0]=3 2315 B16R1.1142 CC(CNC[C@@H](O)CF)c1ccc(cc1)O 34a_200015188644_100015614560 [0,1,0,0,0,0|2,0,0]=3 2316 B16R1.1142 CC(CNC[C@@H](O)CO)c1ccc(cc1)O 34a_200015188644_100009815848 [0,1,0,0,0,0|2,0,0]=3 2317 B16R1.1142 CC(CO)CNCC(=O)c1ccc(cc1)O 34a_100000744482_100009814261 [0,1,0,0,0,0|1,0,2]=4 2318 B16R1.1142 CC(CO)CNCC(O)c1ccc(cc1)Cl 34a_100000744482_200011996143 [0,1,0,0,0,0|2,0,0]=3 2319 B16R1.1142 CC(CO)CNC[C@H](O)c1ccc(cc1)F 34a_100000744482_100000720402 [0,1,0,0,0,0|2,0,0]=3 2320 B16R1.1142 CCC(=O)COCC(O)c1ccc(cc1)Cl 34a_100000725409_200011996143 [0,1,0,0,0,0|2,0,1]=4 2321 B16R1.1142 CCC(=O)COC[C@H](O)c1ccc(cc1)F 34a_100000725409_100000720402 [0,1,0,0,0,0|2,0,1]=4 2322 B16R1.1142 CCC(=O)CSCC(O)c1ccc(cc1)Cl 62a_100000747405_200011996143 [0,1,0,0,0,0|2,0,1]=4 2323 B16R1.1142 CCC(=O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000747405 [0,1,0,0,0,0|2,0,1]=4 2324 B16R1.1142 CCC(=O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000747405 [0,1,0,0,0,0|2,0,1]=4 2325 B16R1.1142 CCC(=O)CSC[C@H](O)c1ccc(cc1)F 62a_100000747405_100000720402 [0,1,0,0,0,0|2,0,1]=4 2326 B16R1.1142 CCC(C)CNCC(=O)c1ccc(cc1)C 2230a_100020588543_100000211441 [0,1,0,0,0,0|1,0,2]=4 2327 B16R1.1142 CCC(C)CNCC(C)c1ccc(cc1)O 270004a_200015188644_100000243153 [0,1,0,0,0,0|1,0,0]=2 2328 B16R1.1142 CCC(C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000748023 [0,1,0,0,0,0|1,0,0]=2 2329 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000748023 [0,1,0,0,0,0|1,0,0]=2 2330 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100000243153 [0,1,0,0,0,0|1,0,0]=2 2331 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000748023 [0,1,0,0,0,0|1,0,0]=2 2332 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000748023 [0,1,0,0,0,0|1,0,0]=2 2333 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)C 270004a_200020610344_100000243153 [0,1,0,0,0,0|1,0,0]=2 2334 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000748023 [0,1,0,0,0,0|1,0,0]=2 2335 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000748023 [0,1,0,0,0,0|1,0,0]=2 2336 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100020588543_200011996143 [0,1,0,0,0,0|1,0,0]=2 2337 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000243153 [0,1,0,0,0,0|1,0,0]=2 2338 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000748023 [0,1,0,0,0,0|1,0,0]=2 2339 B16R1.1142 CCC(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000748023 [0,1,0,0,0,0|0,0,0]=1 2340 B16R1.1142 CCC(C)CNC[C@H](O)c1ccc(cc1)F 2230a_100020588543_100000720402 [0,1,0,0,0,0|1,0,0]=2 2341 B16R1.1142 CCC(C)COCC(N)c1ccc(cc1)Br 34a_100000734186_100000748023 [0,1,0,0,0,0|3,0,0]=4 2342 B16R1.1142 CCC(C)COCC(N)c1ccc(cc1)F 34a_100000705410_100000748023 [0,1,0,0,0,0|3,0,0]=4 2343 B16R1.1142 CCC(C)COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000748023 [0,1,0,0,0,0|3,0,0]=4 2344 B16R1.1142 CCC(C)COC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000748023 [0,1,0,0,0,0|3,0,0]=4 2345 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)O 62a_100000748023_100009814261 [0,1,0,0,0,0|1,0,2]=4 2346 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100000748023 [0,1,0,0,0,0|1,0,2]=4 2347 B16R1.1142 CCC(C)CSCC(O)c1ccc(cc1)Cl 62a_100000748023_200011996143 [0,1,0,0,0,0|2,0,0]=3 2348 B16R1.1142 CCC(C)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000748023 [0,1,0,0,0,0|2,0,0]=3 2349 B16R1.1142 CCC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000748023 [0,1,0,0,0,0|2,0,0]=3 2350 B16R1.1142 CCC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000748023_100000720402 [0,1,0,0,0,0|2,0,0]=3 2351 B16R1.1142 CCC(O)CNCC(=O)c1ccc(cc1)C 2230a_100011218483_100000211441 [0,1,0,0,0,0|1,0,2]=4 2352 B16R1.1142 CCC(O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100011218378 [0,1,0,0,0,0|1,0,0]=2 2353 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011218378 [0,1,0,0,0,0|1,0,0]=2 2354 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011218378 [0,1,0,0,0,0|1,0,0]=2 2355 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100011218378 [0,1,0,0,0,0|1,0,0]=2 2356 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100011218378 [0,1,0,0,0,0|1,0,0]=2 2357 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011218378 [0,1,0,0,0,0|1,0,0]=2 2358 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100011218483_200011996143 [0,1,0,0,0,0|1,0,0]=2 2359 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011218378 [0,1,0,0,0,0|1,0,0]=2 2360 B16R1.1142 CCC(O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011218378 [0,1,0,0,0,0|0,0,0]=1 2361 B16R1.1142 CCC(O)CNC[C@H](O)c1ccc(cc1)F 2230a_100011218483_100000720402 [0,1,0,0,0,0|1,0,0]=2 2362 B16R1.1142 CCC(O)CNN=C(C)c1ccc(cc1)O 4a_100015206393_100000185113 [0,1,0,0,0,0|2,0,1]=4 2363 B16R1.1142 CCC(O)CNNC(=O)c1ccc(cc1)O 22a_100015206393_100000212099 [0,1,0,0,0,0|1,0,2]=4 2364 B16R1.1142 CCC(O)COCC(N)c1ccc(cc1)Br 34a_100000734186_100011218378 [0,1,0,0,0,0|3,0,0]=4 2365 B16R1.1142 CCC(O)COCC(N)c1ccc(cc1)F 34a_100000705410_100011218378 [0,1,0,0,0,0|3,0,0]=4 2366 B16R1.1142 CCC(O)COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100011218378 [0,1,0,0,0,0|3,0,0]=4 2367 B16R1.1142 CCC(O)COC[C@H](N)c1ccc(cc1)C 34a_100009818840_100011218378 [0,1,0,0,0,0|3,0,0]=4 2368 B16R1.1142 CCC(O)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100011218378 [0,1,0,0,0,0|1,0,2]=4 2369 B16R1.1142 CCC(O)CSCC(=O)c1ccc(cc1)O 62a_100011218378_100009814261 [0,1,0,0,0,0|1,0,2]=4 2370 B16R1.1142 CCC(O)CSCC(O)c1ccc(cc1)Cl 62a_100011218378_200011996143 [0,1,0,0,0,0|2,0,0]=3 2371 B16R1.1142 CCC(O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011218378 [0,1,0,0,0,0|2,0,0]=3 2372 B16R1.1142 CCC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011218378 [0,1,0,0,0,0|2,0,0]=3 2373 B16R1.1142 CCC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100011218378_100000720402 [0,1,0,0,0,0|2,0,0]=3 2374 B16R1.1142 CC[C@H](C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100009816398 [0,1,0,0,0,0|1,0,0]=2 2375 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100009816398 [0,1,0,0,0,0|1,0,0]=2 2376 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100009816398 [0,1,0,0,0,0|1,0,0]=2 2377 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100009816398 [0,1,0,0,0,0|1,0,0]=2 2378 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)C 34a_200020610344_100009816398 [0,1,0,0,0,0|1,0,0]=2 2379 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009816398 [0,1,0,0,0,0|1,0,0]=2 2380 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009816398 [0,1,0,0,0,0|1,0,0]=2 2381 B16R1.1142 CC[C@H](C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009816398 [0,1,0,0,0,0|0,0,0]=1 2382 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)O 7a_100009816381_100000018856 [0,1,0,0,0,0|1,0,2]=4 2383 B16R1.1142 CC[C@H](C)COCC(N)c1ccc(cc1)Br 34a_100000734186_100009816398 [0,1,0,0,0,0|3,0,0]=4 2384 B16R1.1142 CC[C@H](C)COCC(N)c1ccc(cc1)F 34a_100000705410_100009816398 [0,1,0,0,0,0|3,0,0]=4 2385 B16R1.1142 CC[C@H](C)COCC(O)c1ccc(cc1)Cl 7a_100009816381_200011996143 [0,1,0,0,0,0|2,0,0]=3 2386 B16R1.1142 CC[C@H](C)COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100009816398 [0,1,0,0,0,0|3,0,0]=4 2387 B16R1.1142 CC[C@H](C)COC[C@H](N)c1ccc(cc1)C 34a_100009818840_100009816398 [0,1,0,0,0,0|3,0,0]=4 2388 B16R1.1142 CC[C@H](C)COC[C@H](O)c1ccc(cc1)F 7a_100009816381_100000720402 [0,1,0,0,0,0|2,0,0]=3 2389 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100009816398 [0,1,0,0,0,0|1,0,2]=4 2390 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)O 62a_100009816398_100009814261 [0,1,0,0,0,0|1,0,2]=4 2391 B16R1.1142 CC[C@H](C)CSCC(O)c1ccc(cc1)Cl 62a_100009816398_200011996143 [0,1,0,0,0,0|2,0,0]=3 2392 B16R1.1142 CC[C@H](C)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100009816398 [0,1,0,0,0,0|2,0,0]=3 2393 B16R1.1142 CC[C@H](C)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009816398 [0,1,0,0,0,0|2,0,0]=3 2394 B16R1.1142 CC[C@H](C)CSC[C@H](O)c1ccc(cc1)F 62a_100009816398_100000720402 [0,1,0,0,0,0|2,0,0]=3 2395 B16R1.1142 CNC(=O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000183359 [0,1,0,0,0,0|2,0,1]=4 2396 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000183359 [0,1,0,0,0,0|2,0,1]=4 2397 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000183359 [0,1,0,0,0,0|2,0,1]=4 2398 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000183359 [0,1,0,0,0,0|2,0,1]=4 2399 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000183359 [0,1,0,0,0,0|2,0,1]=4 2400 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000693194_200011996143 [0,1,0,0,0,0|2,0,1]=4 2401 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000183359 [0,1,0,0,0,0|2,0,1]=4 2402 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000183359 [0,1,0,0,0,0|2,0,1]=4 2403 B16R1.1142 CNC(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000183359 [0,1,0,0,0,0|1,0,1]=3 2404 B16R1.1142 CNC(=O)CNC[C@H](O)c1ccc(cc1)F 2230a_100000693194_100000720402 [0,1,0,0,0,0|2,0,1]=4 2405 B16R1.1142 COC(=O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000747449 [0,1,0,0,0,0|2,0,1]=4 2406 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000747449 [0,1,0,0,0,0|2,0,1]=4 2407 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000747449 [0,1,0,0,0,0|2,0,1]=4 2408 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000747449 [0,1,0,0,0,0|2,0,1]=4 2409 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000747449 [0,1,0,0,0,0|2,0,1]=4 2410 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000747449 [0,1,0,0,0,0|2,0,1]=4 2411 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000747449 [0,1,0,0,0,0|2,0,1]=4 2412 B16R1.1142 COC(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000747449 [0,1,0,0,0,0|1,0,1]=3 2413 B16R1.1142 COC(C)COCC(O)c1ccc(cc1)Cl 34a_100000690652_200011996143 [0,1,0,0,0,0|3,0,0]=4 2414 B16R1.1142 COC(C)COC[C@H](O)c1ccc(cc1)F 34a_100000690652_100000720402 [0,1,0,0,0,0|3,0,0]=4 2415 B16R1.1142 CO[C@H](C)CNCC(O)c1ccc(cc1)Cl 2230a_100020591295_200011996143 [0,1,0,0,0,0|2,0,0]=3 2416 B16R1.1142 CO[C@H](C)CNC[C@H](O)c1ccc(cc1)F 2230a_100020591295_100000720402 [0,1,0,0,0,0|2,0,0]=3 2417 B16R1.1142 C[C@@H](CO)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000059175 [0,1,0,0,0,0|2,0,0]=3 2418 B16R1.1142 C[C@@H](CO)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000059175 [0,1,0,0,0,0|2,0,0]=3 2419 B16R1.1142 C[C@@H](CO)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000059175 [0,1,0,0,0,0|2,0,0]=3 2420 B16R1.1142 C[C@@H](CO)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000059175 [0,1,0,0,0,0|2,0,0]=3 2421 B16R1.1142 C[C@@H](CO)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000059175 [0,1,0,0,0,0|1,0,0]=2 2422 B16R1.1142 C[C@@H](CO)CSCC(O)c1ccc(cc1)Cl 62a_100000059175_200011996143 [0,1,0,0,0,0|3,0,0]=4 2423 B16R1.1142 C[C@@H](CO)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000059175 [0,1,0,0,0,0|3,0,0]=4 2424 B16R1.1142 C[C@@H](CO)CSC[C@H](O)c1ccc(cc1)F 62a_100000059175_100000720402 [0,1,0,0,0,0|3,0,0]=4 2425 B16R1.1142 C[C@@H](CO)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000059175 [0,1,0,0,0,0|3,0,0]=4 2426 B16R1.1142 Cc1ccc(cc1)C(O)CNCC(O)CO 2230a_200020610344_100011219619 [0,1,0,0,0,0|2,0,0]=3 2427 B16R1.1142 Cc1ccc(cc1)C(O)CNCC(O)CO 34a_200020610344_100011219619 [0,1,0,0,0,0|2,0,0]=3 2428 B16R1.1142 Cc1ccc(cc1)C(O)CNC[C@@H](C)CO 2230a_200020610344_100000059175 [0,1,0,0,0,0|2,0,0]=3 2429 B16R1.1142 Cc1ccc(cc1)C(O)CNC[C@@H](C)CO 34a_200020610344_100000059175 [0,1,0,0,0,0|2,0,0]=3 2430 B16R1.1142 Cc1ccc(cc1)C(O)CNC[C@@H](O)CF 2230a_200020610344_100015614560 [0,1,0,0,0,0|2,0,0]=3 2431 B16R1.1142 Cc1ccc(cc1)C(O)CNC[C@@H](O)CF 34a_200020610344_100015614560 [0,1,0,0,0,0|2,0,0]=3 2432 B16R1.1142 Cc1ccc(cc1)C(O)CNC[C@@H](O)CO 2230a_200020610344_100009815848 [0,1,0,0,0,0|2,0,0]=3 2433 B16R1.1142 Cc1ccc(cc1)C(O)CNC[C@@H](O)CO 34a_200020610344_100009815848 [0,1,0,0,0,0|2,0,0]=3 2434 B16R1.1142 NC[C@@H](F)COCC(O)c1ccc(cc1)Cl 34a_100015665980_200011996143 [0,1,0,0,0,0|3,0,0]=4 2435 B16R1.1142 NC[C@@H](F)COC[C@H](O)c1ccc(cc1)F 34a_100015665980_100000720402 [0,1,0,0,0,0|3,0,0]=4 2436 B16R1.1142 O=C(CNC[C@@H](F)CO)c1ccc(cc1)O 34a_100015665980_100009814261 [0,1,0,0,0,0|1,0,2]=4 2437 B16R1.1142 OC(CNC[C@@H](O)CF)c1ccc(cc1)Br 2230a_100020626992_100015614560 [0,1,0,0,0,0|2,0,0]=3 2438 B16R1.1142 OC(CNC[C@@H](O)CF)c1ccc(cc1)Br 34a_100020626992_100015614560 [0,1,0,0,0,0|2,0,0]=3 2439 B16R1.1142 OC(CNC[C@@H](O)CF)c1ccc(cc1)Cl 2230a_100000736658_100015614560 [0,1,0,0,0,0|2,0,0]=3 2440 B16R1.1142 OC(CNC[C@@H](O)CF)c1ccc(cc1)Cl 34a_100000736658_100015614560 [0,1,0,0,0,0|2,0,0]=3 2441 B16R1.1142 OC(COCC(Cl)CCl)c1ccc(cc1)Cl 34a_100000033668_200011996143 [0,1,0,0,0,0|3,0,0]=4 2442 B16R1.1142 OC(CSC[C@@H](O)CF)c1ccc(cc1)Cl 62a_100015614560_200011996143 [0,1,0,0,0,0|3,0,0]=4 2443 B16R1.1142 OC(CSC[C@@H](O)CF)c1ccc(cc1)Cl 62a_200011996143_100015614560 [0,1,0,0,0,0|3,0,0]=4 2444 B16R1.1142 OCC(O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011219619 [0,1,0,0,0,0|2,0,0]=3 2445 B16R1.1142 OCC(O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011219619 [0,1,0,0,0,0|2,0,0]=3 2446 B16R1.1142 OCC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011219619 [0,1,0,0,0,0|2,0,0]=3 2447 B16R1.1142 OCC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011219619 [0,1,0,0,0,0|2,0,0]=3 2448 B16R1.1142 OCC(O)CSCC(O)c1ccc(cc1)Cl 62a_100011219619_200011996143 [0,1,0,0,0,0|3,0,0]=4 2449 B16R1.1142 OCC(O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011219619 [0,1,0,0,0,0|3,0,0]=4 2450 B16R1.1142 OCC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011219619 [0,1,0,0,0,0|3,0,0]=4 2451 B16R1.1142 OCC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100011219619_100000720402 [0,1,0,0,0,0|3,0,0]=4 2452 B16R1.1142 OC[C@@H](O)CNCC(O)c1ccc(cc1)Cl 2230a_100020644852_200011996143 [0,1,0,0,0,0|2,0,0]=3 2453 B16R1.1142 OC[C@@H](O)CNC[C@H](O)c1ccc(cc1)F 2230a_100020644852_100000720402 [0,1,0,0,0,0|2,0,0]=3 2454 B16R1.1142 OC[C@H](F)CNCC(O)c1ccc(cc1)Cl 34a_100015665980_200011996143 [0,1,0,0,0,0|2,0,0]=3 2455 B16R1.1142 OC[C@H](F)CNC[C@H](O)c1ccc(cc1)F 34a_100015665980_100000720402 [0,1,0,0,0,0|2,0,0]=3 2456 B16R1.1142 OC[C@H](O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100009815848 [0,1,0,0,0,0|2,0,0]=3 2457 B16R1.1142 OC[C@H](O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100009815848 [0,1,0,0,0,0|2,0,0]=3 2458 B16R1.1142 OC[C@H](O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009815848 [0,1,0,0,0,0|2,0,0]=3 2459 B16R1.1142 OC[C@H](O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009815848 [0,1,0,0,0,0|2,0,0]=3 2460 B16R1.1142 OC[C@H](O)CSCC(O)c1ccc(cc1)Cl 62a_100009815848_200011996143 [0,1,0,0,0,0|3,0,0]=4 2461 B16R1.1142 OC[C@H](O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100009815848 [0,1,0,0,0,0|3,0,0]=4 2462 B16R1.1142 OC[C@H](O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009815848 [0,1,0,0,0,0|3,0,0]=4 2463 B16R1.1142 OC[C@H](O)CSC[C@H](O)c1ccc(cc1)F 62a_100009815848_100000720402 [0,1,0,0,0,0|3,0,0]=4 2464 B16R1.1142 O[C@@H](CF)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100015614560 [0,1,0,0,0,0|3,0,0]=4 2465 B16R1.1142 O[C@@H](CF)CSC[C@H](O)c1ccc(cc1)F 62a_100015614560_100000720402 [0,1,0,0,0,0|3,0,0]=4 2466 B16R1.1142 O[C@@H](COCC(Cl)CCl)c1ccc(cc1)F 34a_100000033668_100000720402 [0,1,0,0,0,0|3,0,0]=4 2467 B16R1.1142 Oc1ccc(cc1)C(O)CNC[C@@H](O)CF 34a_100000067596_100015614560 [0,1,0,0,0,0|1,0,0]=2 2468 B16R1.4603 C#CCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000688953 [0,1,0,0,0,0|0,0,2]=3 2469 B16R1.4603 C#CCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000688953 [0,1,0,0,0,0|0,0,2]=3 2470 B16R1.4603 C/C=C/CNCC(O)c1ccc(cc1)OC 34a_100000738651_100102629194 [0,1,0,0,0,0|0,0,2]=3 2471 B16R1.4603 C=CCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000754431 [0,1,0,0,0,0|0,0,2]=3 2472 B16R1.4603 C=CCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000754431 [0,1,0,0,0,0|0,0,2]=3 2473 B16R1.4603 CC#CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000748600 [0,1,0,0,0,0|0,0,2]=3 2474 B16R1.4603 CC#CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000748600 [0,1,0,0,0,0|0,0,2]=3 2475 B16R1.4603 CC=CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000070051 [0,1,0,0,0,0|0,0,2]=3 2476 B16R1.4603 CC=CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000070051 [0,1,0,0,0,0|0,0,2]=3 2477 B16R1.4603 CCCCCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210757 [0,1,0,0,0,0|1,0,2]=4 2478 B16R1.4603 CCCCCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210757 [0,1,0,0,0,0|1,0,2]=4 2479 B16R1.4603 CCCCCCC(=O)c1ccc(cc1)OC 34a_100000039314_200000210301 [0,1,0,0,0,0|1,0,2]=4 2480 B16R1.4603 CCCCCCC(=O)c1ccc(cc1)OC 7a_100000039314_200000210301 [0,1,0,0,0,0|1,0,2]=4 2481 B16R1.4603 CCCCCCC(=O)c1ccc(cc1)O[13CH3] 34a_100000039314_200025704644 [0,1,0,0,0,0|1,0,2]=4 2482 B16R1.4603 CCCCCCC(=O)c1ccc(cc1)O[13CH3] 7a_100000039314_200025704644 [0,1,0,0,0,0|1,0,2]=4 2483 B16R1.4603 CCCCCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210314 [0,1,0,0,0,0|3,0,0]=4 2484 B16R1.4603 CCCCCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210757 [0,1,0,0,0,0|3,0,0]=4 2485 B16R1.4603 CCCCCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210314 [0,1,0,0,0,0|3,0,0]=4 2486 B16R1.4603 CCCCCNC(C)c1ccc(cc1)CO 269862a_100000209983_100000082505 [0,1,0,0,0,0|3,0,0]=4 2487 B16R1.4603 CCCCCNC(C)c1ccc(cc1)OC 269862a_100000209983_100000169859 [0,1,0,0,0,0|3,0,0]=4 2488 B16R1.4603 CCCCCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210326 [0,1,0,0,0,0|3,0,0]=4 2489 B16R1.4603 CCCCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000718602 [0,1,0,0,0,0|3,0,0]=4 2490 B16R1.4603 CCCCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210326 [0,1,0,0,0,0|3,0,0]=4 2491 B16R1.4603 CCCCNCC(=O)c1ccc(cc1)C#N 2230a_100000102301_100000212069 [0,1,0,0,0,0|1,0,2]=4 2492 B16R1.4603 CCCCNCC(=O)c1ccc(cc1)CC 2230a_100000102301_100000689809 [0,1,0,0,0,0|1,0,2]=4 2493 B16R1.4603 CCCCNCC(=O)c1ccc(cc1)CC 7a_106832991798_100000183122 [0,1,0,0,0,0|1,0,2]=4 2494 B16R1.4603 CCCCNCC(=O)c1ccc(cc1)OC 2230a_100000102301_100000212054 [0,1,0,0,0,0|0,0,2]=3 2495 B16R1.4603 CCCCNCC(=O)c1ccc(cc1)OC 7a_106832991798_100000212054 [0,1,0,0,0,0|0,0,2]=3 2496 B16R1.4603 CCCCNCC(=O)c1ccc(cc1)SC 2230a_100000102301_100011216809 [0,1,0,0,0,0|0,1,2]=4 2497 B16R1.4603 CCCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000210211 [0,1,0,0,0,0|0,0,0]=1 2498 B16R1.4603 CCCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000210210 [0,1,0,0,0,0|0,0,0]=1 2499 B16R1.4603 CCCCNN=C(C)c1ccc(cc1)CO 4a_100025702795_100000082505 [0,1,0,0,0,0|2,0,1]=4 2500 B16R1.4603 CCCCNN=C(C)c1ccc(cc1)OC 4a_100025702795_100000169859 [0,1,0,0,0,0|2,0,1]=4 2501 B16R1.4603 CCCCNNC(=O)c1ccc(cc1)CO 22a_100025702795_100000183892 [0,1,0,0,0,0|1,0,2]=4 2502 B16R1.4603 CCCCNNC(=O)c1ccc(cc1)OC 22a_100025702795_100000184203 [0,1,0,0,0,0|1,0,2]=4 2503 B16R1.4603 CCCCOCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011995733 [0,1,0,0,0,0|1,0,2]=4 2504 B16R1.4603 CCCCOCC(=O)c1ccc(cc1)OC 1458a_100000184203_100011995733 [0,1,0,0,0,0|1,0,2]=4 2505 B16R1.4603 CCCCOCC(=O)c1ccc(cc1)OC 7a_100000210227_100000212054 [0,1,0,0,0,0|1,0,2]=4 2506 B16R1.4603 CCCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000210210 [0,1,0,0,0,0|2,0,0]=3 2507 B16R1.4603 CCCCOCN(C)c1ccc(cc1)OC 2230a_100000220023_100011995733 [0,1,0,0,0,0|3,0,0]=4 2508 B16R1.4603 CCCCOCN(C)c1ccc(cc1)OC 269982a_100000220023_100011995733 [0,1,0,0,0,0|3,0,0]=4 2509 B16R1.4603 CCCCOCN(C)c1ccc(cc1)OC 34a_100000220023_100011995733 [0,1,0,0,0,0|3,0,0]=4 2510 B16R1.4603 CCCCSCC(=O)c1ccc(cc1)OC 62a_100000210211_100000212054 [0,1,0,0,0,0|1,0,2]=4 2511 B16R1.4603 CCCCSCC(=O)c1ccc(cc1)OC 62a_100000212054_100000210210 [0,1,0,0,0,0|1,0,2]=4 2512 B16R1.4603 CCCOCCC(N)c1ccc(cc1)OC 34a_100000752340_100000210303 [0,1,0,0,0,0|3,0,0]=4 2513 B16R1.4603 COCCNCC(=O)c1ccc(cc1)OC 2230a_100000209980_100000212054 [0,1,0,0,0,0|1,0,2]=4 2514 B16R1.4603 COCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100011201679 [0,1,0,0,0,0|1,0,0]=2 2515 B16R1.4603 COCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100011201679 [0,1,0,0,0,0|1,0,0]=2 2516 B16R1.4603 COCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100011201679 [0,1,0,0,0,0|3,0,0]=4 2517 B16R1.4603 COc1ccc(cc1)C(=O)CNCCCF 2230a_100015189416_100000212054 [0,1,0,0,0,0|1,0,2]=4 2518 B16R1.4603 COc1ccc(cc1)C(=O)CNCCSC 2230a_100020590264_100000212054 [0,1,0,0,0,0|1,0,2]=4 2519 B16R1.4603 COc1ccc(cc1)C(N)COCCCF 34a_100000751956_100011934791 [0,1,0,0,0,0|3,0,0]=4 2520 B16R1.4603 COc1ccc(cc1)C(N)COCCCO 34a_100000751956_100000230001 [0,1,0,0,0,0|3,0,0]=4 2521 B16R1.4603 COc1ccc(cc1)C(N)COCCSC 34a_100000751956_100000212216 [0,1,0,0,0,0|3,0,0]=4 2522 B16R1.4603 COc1ccc(cc1)C(O)CNCCC#N 2230a_100000738651_100011215226 [0,1,0,0,0,0|1,0,1]=3 2523 B16R1.4603 COc1ccc(cc1)C(O)CNCCCF 2230a_100000738651_100011934791 [0,1,0,0,0,0|1,0,0]=2 2524 B16R1.4603 COc1ccc(cc1)C(O)CNCCCF 34a_100000738651_100011934791 [0,1,0,0,0,0|1,0,0]=2 2525 B16R1.4603 COc1ccc(cc1)C(O)CNCCCO 2230a_100000738651_100000230001 [0,1,0,0,0,0|1,0,0]=2 2526 B16R1.4603 COc1ccc(cc1)C(O)CNCCCO 34a_100000738651_100000230001 [0,1,0,0,0,0|1,0,0]=2 2527 B16R1.4603 COc1ccc(cc1)C(O)CNCCSC 2230a_100000738651_100000751147 [0,1,0,0,0,0|1,0,0]=2 2528 B16R1.4603 COc1ccc(cc1)C(O)CNCCSC 34a_100000738651_100000212216 [0,1,0,0,0,0|1,0,0]=2 2529 B16R1.4616 C#CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000688953 [0,1,0,0,0,0|0,0,2]=3 2530 B16R1.4616 C#CCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000755551_100000761251 [0,1,0,0,0,0|1,0,2]=4 2531 B16R1.4616 C/C=C/CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100102629194 [0,1,0,0,0,0|0,0,2]=3 2532 B16R1.4616 C=CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000754431 [0,1,0,0,0,0|0,0,2]=3 2533 B16R1.4616 C=CCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100015191253_100000761251 [0,1,0,0,0,0|1,0,2]=4 2534 B16R1.4616 CC#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000748600 [0,1,0,0,0,0|0,0,2]=3 2535 B16R1.4616 CC#CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000685387_100000761251 [0,1,0,0,0,0|1,0,2]=4 2536 B16R1.4616 CC#CCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000685387_100000761251 [0,1,0,0,0,0|1,0,2]=4 2537 B16R1.4616 CC=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000070051 [0,1,0,0,0,0|0,0,2]=3 2538 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210757 [0,1,0,0,0,0|1,0,2]=4 2539 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210757 [0,1,0,0,0,0|1,0,2]=4 2540 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210757 [0,1,0,0,0,0|1,0,2]=4 2541 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210757 [0,1,0,0,0,0|1,0,2]=4 2542 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210757 [0,1,0,0,0,0|1,0,2]=4 2543 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210757 [0,1,0,0,0,0|1,0,2]=4 2544 B16R1.4616 CCCCCNC(C)c1ccc(c(c1)Br)O 269862a_100000209983_100011772453 [0,1,0,0,0,0|3,0,0]=4 2545 B16R1.4616 CCCCCNC(C)c1ccc(c(c1)C)O 269862a_100000209983_100000188726 [0,1,0,0,0,0|3,0,0]=4 2546 B16R1.4616 CCCCCNC(C)c1ccc(c(c1)Cl)O 269862a_100000209983_100000188625 [0,1,0,0,0,0|3,0,0]=4 2547 B16R1.4616 CCCCCNC(C)c1ccc(c(c1)F)O 269862a_100000209983_100000751691 [0,1,0,0,0,0|3,0,0]=4 2548 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Br)C 2230a_100000102301_100012346676 [0,1,0,0,0,0|1,0,2]=4 2549 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Br)C 7a_106832991798_100012346676 [0,1,0,0,0,0|1,0,2]=4 2550 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Br)F 2230a_100000102301_100011217175 [0,1,0,0,0,0|1,0,2]=4 2551 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Br)F 7a_106832991798_100011217175 [0,1,0,0,0,0|1,0,2]=4 2552 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)C)C 2230a_100000102301_100000183365 [0,1,0,0,0,0|1,0,2]=4 2553 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)C)C 7a_106832991798_100000183365 [0,1,0,0,0,0|1,0,2]=4 2554 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991798_200011216723 [0,1,0,0,0,0|1,0,2]=4 2555 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)Br 2230a_100000102301_200012349649 [0,1,0,0,0,0|1,0,2]=4 2556 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100000102301_100000211430 [0,1,0,0,0,0|1,0,2]=4 2557 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991798_100000211430 [0,1,0,0,0,0|1,0,2]=4 2558 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)F 2230a_100000102301_100000757878 [0,1,0,0,0,0|1,0,2]=4 2559 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991798_100000757878 [0,1,0,0,0,0|1,0,2]=4 2560 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991798_200010170092 [0,1,0,0,0,0|0,0,2]=3 2561 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)Br 2230a_100000102301_100012361357 [0,1,0,0,0,0|1,0,2]=4 2562 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)Br 7a_106832991798_100012361357 [0,1,0,0,0,0|1,0,2]=4 2563 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)C 2230a_100000102301_100011219196 [0,1,0,0,0,0|1,0,2]=4 2564 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)C 7a_106832991798_100011219196 [0,1,0,0,0,0|1,0,2]=4 2565 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)Cl 2230a_100000102301_100012351892 [0,1,0,0,0,0|1,0,2]=4 2566 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991798_100012351892 [0,1,0,0,0,0|1,0,2]=4 2567 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)F 2230a_100000102301_100000183380 [0,1,0,0,0,0|1,0,2]=4 2568 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)F)F 7a_106832991798_100000183380 [0,1,0,0,0,0|1,0,2]=4 2569 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)O)O 7a_106832991798_100000183813 [0,1,0,0,0,0|0,0,2]=3 2570 B16R1.4616 CCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210210 [0,1,0,0,0,0|0,0,0]=1 2571 B16R1.4616 CCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000102301_100000761251 [0,1,0,0,0,0|1,0,0]=2 2572 B16R1.4616 CCCCNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991798_100000761251 [0,1,0,0,0,0|1,0,0]=2 2573 B16R1.4616 CCCCNN=C(C)c1ccc(c(c1)Br)O 4a_100025702795_100011772453 [0,1,0,0,0,0|2,0,1]=4 2574 B16R1.4616 CCCCNN=C(C)c1ccc(c(c1)C)O 4a_100025702795_100000188726 [0,1,0,0,0,0|2,0,1]=4 2575 B16R1.4616 CCCCNN=C(C)c1ccc(c(c1)Cl)O 4a_100025702795_100000188625 [0,1,0,0,0,0|2,0,1]=4 2576 B16R1.4616 CCCCNN=C(C)c1ccc(c(c1)F)O 4a_100025702795_100000751691 [0,1,0,0,0,0|2,0,1]=4 2577 B16R1.4616 CCCCNN=C(C)c1ccc(c(c1)O)O 4a_100025702795_100000025746 [0,1,0,0,0,0|2,0,1]=4 2578 B16R1.4616 CCCCNNC(=O)c1ccc(c(c1)Br)O 22a_100025702795_100000189672 [0,1,0,0,0,0|1,0,2]=4 2579 B16R1.4616 CCCCNNC(=O)c1ccc(c(c1)C)O 22a_100025702795_100000685612 [0,1,0,0,0,0|1,0,2]=4 2580 B16R1.4616 CCCCNNC(=O)c1ccc(c(c1)Cl)O 22a_100025702795_100000212196 [0,1,0,0,0,0|1,0,2]=4 2581 B16R1.4616 CCCCNNC(=O)c1ccc(c(c1)F)O 22a_100025702795_100000185466 [0,1,0,0,0,0|1,0,2]=4 2582 B16R1.4616 CCCCNNC(=O)c1ccc(c(c1)I)O 22a_100025702795_100000037485 [0,1,0,0,0,0|1,0,2]=4 2583 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011995733 [0,1,0,0,0,0|1,0,2]=4 2584 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100011995733 [0,1,0,0,0,0|1,0,2]=4 2585 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011995733 [0,1,0,0,0,0|1,0,2]=4 2586 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)Cl)O 7a_100000210227_200010170092 [0,1,0,0,0,0|1,0,2]=4 2587 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011995733 [0,1,0,0,0,0|1,0,2]=4 2588 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011995733 [0,1,0,0,0,0|1,0,2]=4 2589 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011995733 [0,1,0,0,0,0|1,0,2]=4 2590 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000210227_100000183813 [0,1,0,0,0,0|1,0,2]=4 2591 B16R1.4616 CCCCOCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_100000210210 [0,1,0,0,0,0|3,0,0]=4 2592 B16R1.4616 CCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210227_100000761251 [0,1,0,0,0,0|2,0,0]=3 2593 B16R1.4616 CCCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210227_100000761251 [0,1,0,0,0,0|2,0,0]=3 2594 B16R1.4616 CCCCSCC(=O)c1ccc(c(c1)Cl)O 62a_100000210211_200010170092 [0,1,0,0,0,0|1,0,2]=4 2595 B16R1.4616 CCCCSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_100000210210 [0,1,0,0,0,0|1,0,2]=4 2596 B16R1.4616 CCCCSCC(=O)c1ccc(c(c1)O)O 62a_100000210211_100000183813 [0,1,0,0,0,0|1,0,2]=4 2597 B16R1.4616 CCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210211_100000761251 [0,1,0,0,0,0|2,0,0]=3 2598 B16R1.4616 CCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210210 [0,1,0,0,0,0|2,0,0]=3 2599 B16R1.4616 CCOCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000739092_100000761251 [0,1,0,0,0,0|3,0,0]=4 2600 B16R1.4616 CCOCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000739092 [0,1,0,0,0,0|3,0,0]=4 2601 B16R1.4616 COCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011201679 [0,1,0,0,0,0|1,0,0]=2 2602 B16R1.4616 COCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000209980_100000761251 [0,1,0,0,0,0|2,0,0]=3 2603 B16R1.4616 COCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210237_100000761251 [0,1,0,0,0,0|3,0,0]=4 2604 B16R1.4616 COCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000233755_100000761251 [0,1,0,0,0,0|3,0,0]=4 2605 B16R1.4616 COCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000233755 [0,1,0,0,0,0|3,0,0]=4 2606 B16R1.4616 CSCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000212216 [0,1,0,0,0,0|1,0,0]=2 2607 B16R1.4616 CSCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020590264_100000761251 [0,1,0,0,0,0|2,0,0]=3 2608 B16R1.4616 CSCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000230434_100000761251 [0,1,0,0,0,0|3,0,0]=4 2609 B16R1.4616 CSCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000230434_100000761251 [0,1,0,0,0,0|3,0,0]=4 2610 B16R1.4616 CSCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000212216_100000761251 [0,1,0,0,0,0|3,0,0]=4 2611 B16R1.4616 CSCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000751147 [0,1,0,0,0,0|3,0,0]=4 2612 B16R1.4616 NCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000182051_100000761251 [0,1,0,0,0,0|3,0,0]=4 2613 B16R1.4616 OCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100011215043 [0,1,0,0,0,0|3,0,0]=4 2614 B16R1.4616 OCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100011215043_100000761251 [0,1,0,0,0,0|3,0,0]=4 2615 B16R1.4616 O[C@H](CNCCCF)c1ccc(c(c1)F)F 2230a_100015189416_100000761251 [0,1,0,0,0,0|2,0,0]=3 2616 B16R1.4616 O[C@H](CNCCCF)c1ccc(c(c1)F)F 34a_100015189416_100000761251 [0,1,0,0,0,0|2,0,0]=3 2617 B16R1.4616 O[C@H](COCCCBr)c1ccc(c(c1)F)F 34a_100011217188_100000761251 [0,1,0,0,0,0|3,0,0]=4 2618 B16R1.4616 O[C@H](COCCCCl)c1ccc(c(c1)F)F 34a_100000230001_100000761251 [0,1,0,0,0,0|3,0,0]=4 2619 B16R1.4616 O[C@H](COCCCF)c1ccc(c(c1)F)F 34a_100000759539_100000761251 [0,1,0,0,0,0|3,0,0]=4 2620 B16R1.4616 O[C@H](CSCCCF)c1ccc(c(c1)F)F 62a_100000761251_100011934791 [0,1,0,0,0,0|3,0,0]=4 2621 B16R1.4616 O[C@H](CSCCCF)c1ccc(c(c1)F)F 62a_100011934791_100000761251 [0,1,0,0,0,0|3,0,0]=4 2622 B16R1.4616 Oc1ccc(cc1O)C(O)CNCCCF 34a_100000106456_100011934791 [0,1,0,0,0,0|1,0,0]=2 2623 B16R1.26593 C#CCCNC[C@@H](O)c1ccc(cc1F)F 34a_100000755551_100000761269 [0,1,0,0,0,0|1,0,2]=4 2624 B16R1.26593 C#CCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000755551_100000761231 [0,1,0,0,0,0|1,0,2]=4 2625 B16R1.26593 C=CCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100015191253_100000761269 [0,1,0,0,0,0|1,0,2]=4 2626 B16R1.26593 C=CCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100015191253_100000761231 [0,1,0,0,0,0|1,0,2]=4 2627 B16R1.26593 CC#CCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000685387_100000761269 [0,1,0,0,0,0|1,0,2]=4 2628 B16R1.26593 CC#CCNC[C@@H](O)c1ccc(cc1F)F 34a_100000685387_100000761269 [0,1,0,0,0,0|1,0,2]=4 2629 B16R1.26593 CC#CCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000685387_100000761231 [0,1,0,0,0,0|1,0,2]=4 2630 B16R1.26593 CC#CCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000685387_100000761231 [0,1,0,0,0,0|1,0,2]=4 2631 B16R1.26593 CCCCCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210757 [0,1,0,0,0,0|1,0,2]=4 2632 B16R1.26593 CCCCCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210757 [0,1,0,0,0,0|1,0,2]=4 2633 B16R1.26593 CCCCCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210757 [0,1,0,0,0,0|1,0,2]=4 2634 B16R1.26593 CCCCCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210757 [0,1,0,0,0,0|1,0,2]=4 2635 B16R1.26593 CCCCCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210757 [0,1,0,0,0,0|1,0,2]=4 2636 B16R1.26593 CCCCCCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210757 [0,1,0,0,0,0|3,0,0]=4 2637 B16R1.26593 CCCCCCN(C)c1ccc(cc1C)O 34a_100161107805_100000210314 [0,1,0,0,0,0|3,0,0]=4 2638 B16R1.26593 CCCCNCC(=O)c1ccc(cc1Br)F 7a_106832991798_100012361341 [0,1,0,0,0,0|1,0,2]=4 2639 B16R1.26593 CCCCNCC(=O)c1ccc(cc1C)C 2230a_100000102301_100000229959 [0,1,0,0,0,0|1,0,2]=4 2640 B16R1.26593 CCCCNCC(=O)c1ccc(cc1C)C 7a_106832991798_100000229959 [0,1,0,0,0,0|1,0,2]=4 2641 B16R1.26593 CCCCNCC(=O)c1ccc(cc1Cl)Cl 2230a_100000102301_100011218845 [0,1,0,0,0,0|1,0,2]=4 2642 B16R1.26593 CCCCNCC(=O)c1ccc(cc1Cl)F 2230a_100000102301_100012056422 [0,1,0,0,0,0|1,0,2]=4 2643 B16R1.26593 CCCCNCC(=O)c1ccc(cc1F)Br 7a_106832991798_200012361339 [0,1,0,0,0,0|1,0,2]=4 2644 B16R1.26593 CCCCNCC(=O)c1ccc(cc1F)Cl 7a_106832991798_100012351891 [0,1,0,0,0,0|1,0,2]=4 2645 B16R1.26593 CCCCNCC(=O)c1ccc(cc1F)F 7a_106832991798_100000229962 [0,1,0,0,0,0|1,0,2]=4 2646 B16R1.26593 CCCCNCC(=O)c1ccc(cc1O)O 7a_106832991798_100009814262 [0,1,0,0,0,0|0,0,2]=3 2647 B16R1.26593 CCCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000102301_100000761269 [0,1,0,0,0,0|1,0,0]=2 2648 B16R1.26593 CCCCNC[C@@H](O)c1ccc(cc1F)F 7a_106832991798_100000761269 [0,1,0,0,0,0|1,0,0]=2 2649 B16R1.26593 CCCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000102301_100000761231 [0,1,0,0,0,0|1,0,0]=2 2650 B16R1.26593 CCCCNC[C@H](O)c1ccc(cc1Cl)Cl 7a_106832991798_100000761231 [0,1,0,0,0,0|1,0,0]=2 2651 B16R1.26593 CCCCNN=C(C)c1ccc(cc1Br)O 4a_100025702795_100012340537 [0,1,0,0,0,0|2,0,1]=4 2652 B16R1.26593 CCCCNN=C(C)c1ccc(cc1C)O 4a_100025702795_100000702595 [0,1,0,0,0,0|2,0,1]=4 2653 B16R1.26593 CCCCNN=C(C)c1ccc(cc1Cl)O 4a_100025702795_100011933989 [0,1,0,0,0,0|2,0,1]=4 2654 B16R1.26593 CCCCNN=C(C)c1ccc(cc1F)O 4a_100025702795_100000752407 [0,1,0,0,0,0|2,0,1]=4 2655 B16R1.26593 CCCCNN=C(C)c1ccc(cc1O)O 4a_100025702795_100000189368 [0,1,0,0,0,0|2,0,1]=4 2656 B16R1.26593 CCCCNNC(=O)c1ccc(cc1Br)O 22a_100025702795_100012344906 [0,1,0,0,0,0|1,0,2]=4 2657 B16R1.26593 CCCCNNC(=O)c1ccc(cc1Cl)O 22a_100025702795_100000702456 [0,1,0,0,0,0|1,0,2]=4 2658 B16R1.26593 CCCCNNC(=O)c1ccc(cc1F)O 22a_100025702795_100000689029 [0,1,0,0,0,0|1,0,2]=4 2659 B16R1.26593 CCCCNNC(=O)c1ccc(cc1O)O 22a_100025702795_100000212172 [0,1,0,0,0,0|1,0,2]=4 2660 B16R1.26593 CCCCOCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100011995733 [0,1,0,0,0,0|1,0,2]=4 2661 B16R1.26593 CCCCOCC(=O)c1ccc(cc1C)O 1458a_100000692822_100011995733 [0,1,0,0,0,0|1,0,2]=4 2662 B16R1.26593 CCCCOCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100011995733 [0,1,0,0,0,0|1,0,2]=4 2663 B16R1.26593 CCCCOCC(=O)c1ccc(cc1F)O 1458a_100000689029_100011995733 [0,1,0,0,0,0|1,0,2]=4 2664 B16R1.26593 CCCCOCC(=O)c1ccc(cc1O)O 1458a_100000212172_100011995733 [0,1,0,0,0,0|1,0,2]=4 2665 B16R1.26593 CCCCOCC(=O)c1ccc(cc1O)O 34a_100000210227_100009814262 [0,1,0,0,0,0|1,0,2]=4 2666 B16R1.26593 CCCCOCC(=O)c1ccc(cc1O)O 7a_100000210227_100009814262 [0,1,0,0,0,0|1,0,2]=4 2667 B16R1.26593 CCCCOCN(C)c1ccc(cc1C)O 269982a_100161107805_100011995733 [0,1,0,0,0,0|3,0,0]=4 2668 B16R1.26593 CCCCOCN(C)c1ccc(cc1C)O 34a_100161107805_100011995733 [0,1,0,0,0,0|3,0,0]=4 2669 B16R1.26593 CCCCOC[C@@H](N)c1ccc(cc1C)Br 34a_100138412551_100000210210 [0,1,0,0,0,0|3,0,0]=4 2670 B16R1.26593 CCCCOC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_100000210210 [0,1,0,0,0,0|3,0,0]=4 2671 B16R1.26593 CCCCOC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_100000210210 [0,1,0,0,0,0|3,0,0]=4 2672 B16R1.26593 CCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000210227_100000761269 [0,1,0,0,0,0|2,0,0]=3 2673 B16R1.26593 CCCCOC[C@@H](O)c1ccc(cc1F)F 7a_100000210227_100000761269 [0,1,0,0,0,0|2,0,0]=3 2674 B16R1.26593 CCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000210227_100000761231 [0,1,0,0,0,0|2,0,0]=3 2675 B16R1.26593 CCCCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000210227_100000761231 [0,1,0,0,0,0|2,0,0]=3 2676 B16R1.26593 CCCCSCC(=O)c1ccc(cc1O)O 62a_100000210211_100009814262 [0,1,0,0,0,0|1,0,2]=4 2677 B16R1.26593 CCCCSCC(=O)c1ccc(cc1O)O 62a_100009814262_100000210210 [0,1,0,0,0,0|1,0,2]=4 2678 B16R1.26593 CCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210211_100000761269 [0,1,0,0,0,0|2,0,0]=3 2679 B16R1.26593 CCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210210 [0,1,0,0,0,0|2,0,0]=3 2680 B16R1.26593 CCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210211_100000761231 [0,1,0,0,0,0|2,0,0]=3 2681 B16R1.26593 CCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210210 [0,1,0,0,0,0|2,0,0]=3 2682 B16R1.26593 CCOCSC[C@@H](O)c1ccc(cc1F)F 62a_100000739092_100000761269 [0,1,0,0,0,0|3,0,0]=4 2683 B16R1.26593 CCOCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000739092 [0,1,0,0,0,0|3,0,0]=4 2684 B16R1.26593 CCOCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000739092_100000761231 [0,1,0,0,0,0|3,0,0]=4 2685 B16R1.26593 CCOCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000739092 [0,1,0,0,0,0|3,0,0]=4 2686 B16R1.26593 COCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000209980_100000761269 [0,1,0,0,0,0|2,0,0]=3 2687 B16R1.26593 COCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000209980_100000761231 [0,1,0,0,0,0|2,0,0]=3 2688 B16R1.26593 COCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000210237_100000761269 [0,1,0,0,0,0|3,0,0]=4 2689 B16R1.26593 COCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000210237_100000761231 [0,1,0,0,0,0|3,0,0]=4 2690 B16R1.26593 COCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000233755_100000761269 [0,1,0,0,0,0|3,0,0]=4 2691 B16R1.26593 COCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000233755 [0,1,0,0,0,0|3,0,0]=4 2692 B16R1.26593 COCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000233755_100000761231 [0,1,0,0,0,0|3,0,0]=4 2693 B16R1.26593 COCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000233755 [0,1,0,0,0,0|3,0,0]=4 2694 B16R1.26593 CSCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100020590264_100000761269 [0,1,0,0,0,0|2,0,0]=3 2695 B16R1.26593 CSCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100020590264_100000761231 [0,1,0,0,0,0|2,0,0]=3 2696 B16R1.26593 CSCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000230434_100000761269 [0,1,0,0,0,0|3,0,0]=4 2697 B16R1.26593 CSCCOC[C@@H](O)c1ccc(cc1F)F 7a_100000230434_100000761269 [0,1,0,0,0,0|3,0,0]=4 2698 B16R1.26593 CSCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000230434_100000761231 [0,1,0,0,0,0|3,0,0]=4 2699 B16R1.26593 CSCCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000230434_100000761231 [0,1,0,0,0,0|3,0,0]=4 2700 B16R1.26593 CSCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000212216_100000761269 [0,1,0,0,0,0|3,0,0]=4 2701 B16R1.26593 CSCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000751147 [0,1,0,0,0,0|3,0,0]=4 2702 B16R1.26593 CSCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000212216_100000761231 [0,1,0,0,0,0|3,0,0]=4 2703 B16R1.26593 CSCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000751147 [0,1,0,0,0,0|3,0,0]=4 2704 B16R1.26593 NCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000182051_100000761269 [0,1,0,0,0,0|3,0,0]=4 2705 B16R1.26593 NCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000182051_100000761231 [0,1,0,0,0,0|3,0,0]=4 2706 B16R1.26593 O=C(CNCCCF)c1ccc(cc1O)O 34a_100015189416_100009814262 [0,1,0,0,0,0|1,0,2]=4 2707 B16R1.26593 OCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100011215043 [0,1,0,0,0,0|3,0,0]=4 2708 B16R1.26593 OCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100011215043_100000761269 [0,1,0,0,0,0|3,0,0]=4 2709 B16R1.26593 OCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100011215043 [0,1,0,0,0,0|3,0,0]=4 2710 B16R1.26593 OCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100011215043_100000761231 [0,1,0,0,0,0|3,0,0]=4 2711 B16R1.26593 O[C@@H](CNCCCF)c1ccc(cc1Cl)Cl 2230a_100015189416_100000761231 [0,1,0,0,0,0|2,0,0]=3 2712 B16R1.26593 O[C@@H](CNCCCF)c1ccc(cc1Cl)Cl 34a_100015189416_100000761231 [0,1,0,0,0,0|2,0,0]=3 2713 B16R1.26593 O[C@@H](COCCCBr)c1ccc(cc1Cl)Cl 34a_100011217188_100000761231 [0,1,0,0,0,0|3,0,0]=4 2714 B16R1.26593 O[C@@H](COCCCCl)c1ccc(cc1Cl)Cl 34a_100000230001_100000761231 [0,1,0,0,0,0|3,0,0]=4 2715 B16R1.26593 O[C@@H](COCCCF)c1ccc(cc1Cl)Cl 34a_100000759539_100000761231 [0,1,0,0,0,0|3,0,0]=4 2716 B16R1.26593 O[C@@H](CSCCCF)c1ccc(cc1Cl)Cl 62a_100000761231_100011934791 [0,1,0,0,0,0|3,0,0]=4 2717 B16R1.26593 O[C@@H](CSCCCF)c1ccc(cc1Cl)Cl 62a_100011934791_100000761231 [0,1,0,0,0,0|3,0,0]=4 2718 B16R1.26593 O[C@H](CNCCCF)c1ccc(cc1F)F 2230a_100015189416_100000761269 [0,1,0,0,0,0|2,0,0]=3 2719 B16R1.26593 O[C@H](CNCCCF)c1ccc(cc1F)F 34a_100015189416_100000761269 [0,1,0,0,0,0|2,0,0]=3 2720 B16R1.26593 O[C@H](COCCCBr)c1ccc(cc1F)F 34a_100011217188_100000761269 [0,1,0,0,0,0|3,0,0]=4 2721 B16R1.26593 O[C@H](COCCCCl)c1ccc(cc1F)F 34a_100000230001_100000761269 [0,1,0,0,0,0|3,0,0]=4 2722 B16R1.26593 O[C@H](COCCCF)c1ccc(cc1F)F 34a_100000759539_100000761269 [0,1,0,0,0,0|3,0,0]=4 2723 B16R1.26593 O[C@H](CSCCCF)c1ccc(cc1F)F 62a_100000761269_100011934791 [0,1,0,0,0,0|3,0,0]=4 2724 B16R1.26593 O[C@H](CSCCCF)c1ccc(cc1F)F 62a_100011934791_100000761269 [0,1,0,0,0,0|3,0,0]=4 2725 B16R2.120 CN(c1ccc(cc1)O)C2CCCCC2 269982a_100000182112_100000210327 [0,0,0,1,0,0|3,0,0]=4 2726 B16R2.120 CN(c1ccc(cc1)O)C2CCCCC2 34a_100000182112_100000210327 [0,0,0,1,0,0|3,0,0]=4 2727 B16R2.120 O=C(c1ccc(cc1)O)C2CCCCC2 1458a_100000212099_100000210327 [0,0,0,1,0,0|1,0,2]=4 2728 B16R2.125 CN(CC1CCCC1)c2ccc(cc2)O 269982a_100000182112_100000740388 [0,0,0,1,0,0|3,0,0]=4 2729 B16R2.125 CN(CC1CCCC1)c2ccc(cc2)O 34a_100000182112_100000740388 [0,0,0,1,0,0|3,0,0]=4 2730 B16R2.125 C[C@H](NC1CCCC1)c2ccc(cc2)O 2230a_100161106496_100000179811 [0,0,0,1,0,0|3,0,0]=4 2731 B16R2.125 C[C@H](NC1CCCC1)c2ccc(cc2)O 270004a_100161106496_100000210133 [0,0,0,1,0,0|3,0,0]=4 2732 B16R2.125 Cc1ccc(cc1)C(=O)CN2CCCC2 2230a_100000188435_100000211441 [0,0,0,1,0,0|1,0,2]=4 2733 B16R2.125 Cc1ccc(cc1)C(=O)CN2CCCC2 269982a_100000188435_100000211441 [0,0,0,1,0,0|1,0,2]=4 2734 B16R2.125 O=C(CC1CCCC1)c2ccc(cc2)O 1458a_100000212099_100000740388 [0,0,0,1,0,0|1,0,2]=4 2735 B16R2.125 O=C(CN1CCCC1)c2ccc(cc2)Br 269982a_100000188435_100000188085 [0,0,0,1,0,0|1,0,2]=4 2736 B16R2.125 O=C(CN1CCCC1)c2ccc(cc2)Cl 269982a_100000188435_100000211071 [0,0,0,1,0,0|1,0,2]=4 2737 B16R2.125 O=C(CN1CCCC1)c2ccc(cc2)F 269982a_100000188435_100000211279 [0,0,0,1,0,0|1,0,2]=4 2738 B16R2.125 O=C(CN1CCCC1)c2ccc(cc2)I 269982a_100000188435_100011216261 [0,0,0,1,0,0|1,0,2]=4 2739 B16R2.125 O=C(CN1CCCC1)c2ccc(cc2)O 269982a_100000188435_100009814261 [0,0,0,1,0,0|0,0,2]=3 2740 B16R2.125 O=C(CN1CCSC1)c2ccc(cc2)O 269982a_100011215254_100009814261 [0,0,0,1,0,0|1,0,2]=4 2741 B16R2.125 OC(CN1CCCC1)c2ccc(cc2)Cl 2230a_100000188435_200011996143 [0,0,0,1,0,0|1,0,0]=2 2742 B16R2.125 OC(CN1CCSC1)c2ccc(cc2)Cl 2230a_100011215254_200011996143 [0,0,0,1,0,0|2,0,0]=3 2743 B16R2.125 O[C@@H](CN1CCCC1)c2ccc(cc2)F 2230a_100000188435_100000720402 [0,0,0,1,0,0|1,0,0]=2 2744 B16R2.125 O[C@@H](CN1CCSC1)c2ccc(cc2)F 2230a_100011215254_100000720402 [0,0,0,1,0,0|2,0,0]=3 2745 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210211 [0,0,0,1,0,0|2,0,0]=3 2746 B16R2.532 CCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210210 [0,0,0,1,0,0|2,0,0]=3 2747 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210211 [0,0,0,1,0,0|2,0,0]=3 2748 B16R2.532 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210210 [0,0,0,1,0,0|2,0,0]=3 2749 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011201679 [0,0,0,1,0,0|3,0,0]=4 2750 B16R2.532 COCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011201679 [0,0,0,1,0,0|3,0,0]=4 2751 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011201679 [0,0,0,1,0,0|3,0,0]=4 2752 B16R2.532 COCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011201679 [0,0,0,1,0,0|3,0,0]=4 2753 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000751147 [0,0,0,1,0,0|3,0,0]=4 2754 B16R2.532 CSCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000212216 [0,0,0,1,0,0|3,0,0]=4 2755 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000751147 [0,0,0,1,0,0|3,0,0]=4 2756 B16R2.532 CSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000212216 [0,0,0,1,0,0|3,0,0]=4 2757 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011934791 [0,0,0,1,0,0|3,0,0]=4 2758 B16R2.532 FCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011934791 [0,0,0,1,0,0|3,0,0]=4 2759 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011934791 [0,0,0,1,0,0|3,0,0]=4 2760 B16R2.532 FCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011934791 [0,0,0,1,0,0|3,0,0]=4 2761 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000230001 [0,0,0,1,0,0|3,0,0]=4 2762 B16R2.532 OCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000230001 [0,0,0,1,0,0|3,0,0]=4 2763 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000230001 [0,0,0,1,0,0|3,0,0]=4 2764 B16R2.532 OCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000230001 [0,0,0,1,0,0|3,0,0]=4 2765 B16R2.1083 O=C(CN[C@@H]1C[C@H]1F)c2ccc(cc2)O 34a_100025746932_100009814261 [0,0,0,1,0,0|1,0,2]=4 2766 B16R2.1083 OC(CN[C@@H]1C[C@@H]1F)c2ccc(cc2)Cl 2230a_100015190264_200011996143 [0,0,0,1,0,0|2,0,0]=3 2767 B16R2.1083 OC(CN[C@@H]1C[C@H]1F)c2ccc(cc2)Cl 2230a_100025746932_200011996143 [0,0,0,1,0,0|2,0,0]=3 2768 B16R2.1083 OC(CN[C@@H]1C[C@H]1F)c2ccc(cc2)Cl 34a_100025746932_200011996143 [0,0,0,1,0,0|2,0,0]=3 2769 B16R2.1083 O[C@@H](CN[C@@H]1C[C@@H]1F)c2ccc(cc2)F 2230a_100015190264_100000720402 [0,0,0,1,0,0|2,0,0]=3 2770 B16R2.1083 O[C@@H](CN[C@@H]1C[C@H]1F)c2ccc(cc2)F 2230a_100025746932_100000720402 [0,0,0,1,0,0|2,0,0]=3 2771 B16R2.1083 O[C@@H](CN[C@@H]1C[C@H]1F)c2ccc(cc2)F 34a_100025746932_100000720402 [0,0,0,1,0,0|2,0,0]=3 2772 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)Br 269982a_100000755817_100000188085 [0,0,0,1,0,0|1,0,2]=4 2773 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)Br 34a_100000755817_100000188085 [0,0,0,1,0,0|1,0,2]=4 2774 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)Cl 269982a_100000755817_100000211071 [0,0,0,1,0,0|1,0,2]=4 2775 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)F 269982a_100000755817_100000211279 [0,0,0,1,0,0|1,0,2]=4 2776 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)I 269982a_100000755817_100011216261 [0,0,0,1,0,0|1,0,2]=4 2777 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)I 34a_100000755817_100011216261 [0,0,0,1,0,0|1,0,2]=4 2778 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)O 269982a_100000755817_100009814261 [0,0,0,1,0,0|0,0,2]=3 2779 B16R2.1094 CC1CCN1CC(=O)c2ccc(cc2)O 34a_100000755817_100009814261 [0,0,0,1,0,0|0,0,2]=3 2780 B16R2.1094 CC1CCN1CC(O)c2ccc(cc2)Cl 34a_100000755817_200011996143 [0,0,0,1,0,0|1,0,0]=2 2781 B16R2.1094 CC1CCN1C[C@H](O)c2ccc(cc2)F 34a_100000755817_100000720402 [0,0,0,1,0,0|1,0,0]=2 2782 B16R2.1094 Cc1ccc(cc1)C(=O)CN2CCC2C 269982a_100000755817_100000211441 [0,0,0,1,0,0|1,0,2]=4 2783 B16R2.1094 Cc1ccc(cc1)C(=O)CN2CCC2C 34a_100000755817_100000211441 [0,0,0,1,0,0|1,0,2]=4 2784 B16R2.33189 CC(=NNC1CCC1)c2ccc(cc2)O 4a_100000736358_100000185113 [0,0,0,1,0,0|2,0,1]=4 2785 B16R2.33189 CC(CNC1CCC1)c2ccc(cc2)O 270004a_200015188644_100000241760 [0,0,0,1,0,0|1,0,0]=2 2786 B16R2.33189 CC(CNC1CCC1)c2ccc(cc2)O 34a_200015188644_100000749161 [0,0,0,1,0,0|1,0,0]=2 2787 B16R2.33189 CC(CNC1COC1)c2ccc(cc2)O 34a_200015188644_100009818527 [0,0,0,1,0,0|2,0,0]=3 2788 B16R2.33189 C[C@H](NCC1CCC1)c2ccc(cc2)O 2230a_100161106496_100000763275 [0,0,0,1,0,0|3,0,0]=4 2789 B16R2.33189 Cc1ccc(cc1)C(=O)CNC2CCC2 2230a_100000749019_100000211441 [0,0,0,1,0,0|1,0,2]=4 2790 B16R2.33189 Cc1ccc(cc1)C(=O)CNC2CCC2 34a_100000749019_100000211441 [0,0,0,1,0,0|1,0,2]=4 2791 B16R2.33189 Cc1ccc(cc1)C(O)CNC2CCC2 270004a_200020610344_100000241760 [0,0,0,1,0,0|1,0,0]=2 2792 B16R2.33189 Cc1ccc(cc1)C(O)CNC2CCC2 34a_200020610344_100000749161 [0,0,0,1,0,0|1,0,0]=2 2793 B16R2.33189 Cc1ccc(cc1)C(O)CNC2COC2 34a_200020610344_100009818527 [0,0,0,1,0,0|2,0,0]=3 2794 B16R2.33189 Cc1ccc(cc1)[C@@H](N)COC2CCC2 34a_100009818840_100000749161 [0,0,0,1,0,0|3,0,0]=4 2795 B16R2.33189 NC(COC1CCC1)c2ccc(cc2)Br 34a_100000734186_100000749161 [0,0,0,1,0,0|3,0,0]=4 2796 B16R2.33189 NC(COC1CCC1)c2ccc(cc2)F 34a_100000705410_100000749161 [0,0,0,1,0,0|3,0,0]=4 2797 B16R2.33189 N[C@H](COC1CCC1)c2ccc(cc2)Cl 34a_100009818818_100000749161 [0,0,0,1,0,0|3,0,0]=4 2798 B16R2.33189 O=C(CNC1CCC1)c2ccc(cc2)Br 34a_100000749019_100000188085 [0,0,0,1,0,0|1,0,2]=4 2799 B16R2.33189 O=C(CNC1CCC1)c2ccc(cc2)I 34a_100000749019_100011216261 [0,0,0,1,0,0|1,0,2]=4 2800 B16R2.33189 O=C(CNC1CCC1)c2ccc(cc2)O 34a_100000749019_100009814261 [0,0,0,1,0,0|0,0,2]=3 2801 B16R2.33189 O=C(COC1CCC1)c2ccc(cc2)O 34a_100000748187_100009814261 [0,0,0,1,0,0|1,0,2]=4 2802 B16R2.33189 O=C(CSC1CCC1)c2ccc(cc2)O 62a_100009814261_100000749161 [0,0,0,1,0,0|1,0,2]=4 2803 B16R2.33189 O=C(NNC1CCC1)c2ccc(cc2)O 22a_100000736358_100000212099 [0,0,0,1,0,0|1,0,2]=4 2804 B16R2.33189 OC(CNC1CCC1)c2ccc(cc2)Br 270004a_100020626992_100000241760 [0,0,0,1,0,0|1,0,0]=2 2805 B16R2.33189 OC(CNC1CCC1)c2ccc(cc2)Br 34a_100020626992_100000749161 [0,0,0,1,0,0|1,0,0]=2 2806 B16R2.33189 OC(CNC1CCC1)c2ccc(cc2)Cl 2230a_100000749019_200011996143 [0,0,0,1,0,0|1,0,0]=2 2807 B16R2.33189 OC(CNC1CCC1)c2ccc(cc2)Cl 270004a_100000736658_100000241760 [0,0,0,1,0,0|1,0,0]=2 2808 B16R2.33189 OC(CNC1CCC1)c2ccc(cc2)Cl 34a_100000736658_100000749161 [0,0,0,1,0,0|1,0,0]=2 2809 B16R2.33189 OC(CNC1CCC1)c2ccc(cc2)Cl 34a_100000749019_200011996143 [0,0,0,1,0,0|1,0,0]=2 2810 B16R2.33189 OC(CNC1COC1)c2ccc(cc2)Br 34a_100020626992_100009818527 [0,0,0,1,0,0|2,0,0]=3 2811 B16R2.33189 OC(CNC1COC1)c2ccc(cc2)Cl 2230a_100016991112_200011996143 [0,0,0,1,0,0|2,0,0]=3 2812 B16R2.33189 OC(CNC1COC1)c2ccc(cc2)Cl 34a_100000736658_100009818527 [0,0,0,1,0,0|2,0,0]=3 2813 B16R2.33189 OC(COC1CCC1)c2ccc(cc2)Cl 34a_100000748187_200011996143 [0,0,0,1,0,0|2,0,0]=3 2814 B16R2.33189 OC(COC1CSC1)c2ccc(cc2)Cl 7a_100000072292_200011996143 [0,0,0,1,0,0|3,0,0]=4 2815 B16R2.33189 OC(CSC1CCC1)c2ccc(cc2)Cl 62a_200011996143_100000749161 [0,0,0,1,0,0|2,0,0]=3 2816 B16R2.33189 OC(CSC1COC1)c2ccc(cc2)Cl 62a_200011996143_100009818527 [0,0,0,1,0,0|3,0,0]=4 2817 B16R2.33189 O[C@@H](CNC1CCC1)c2ccc(cc2)F 2230a_100000749019_100000720402 [0,0,0,1,0,0|1,0,0]=2 2818 B16R2.33189 O[C@@H](CNC1CCC1)c2ccc(cc2)F 34a_100000749019_100000720402 [0,0,0,1,0,0|1,0,0]=2 2819 B16R2.33189 O[C@@H](CNC1COC1)c2ccc(cc2)F 2230a_100016991112_100000720402 [0,0,0,1,0,0|2,0,0]=3 2820 B16R2.33189 O[C@@H](COC1CCC1)c2ccc(cc2)F 34a_100000748187_100000720402 [0,0,0,1,0,0|2,0,0]=3 2821 B16R2.33189 O[C@@H](COC1CSC1)c2ccc(cc2)F 7a_100000072292_100000720402 [0,0,0,1,0,0|3,0,0]=4 2822 B16R2.33189 O[C@@H](CSC1CCC1)c2ccc(cc2)F 62a_100000720402_100000749161 [0,0,0,1,0,0|2,0,0]=3 2823 B16R2.33189 O[C@@H](CSC1COC1)c2ccc(cc2)F 62a_100000720402_100009818527 [0,0,0,1,0,0|3,0,0]=4 2824 B16R2.33189 Oc1ccc(cc1)C(O)CNC2CCC2 34a_100000067596_100000749161 [0,0,0,1,0,0|0,0,0]=1 2825 B16R2.33189 Oc1ccc(cc1)C(O)CNC2COC2 34a_100000067596_100009818527 [0,0,0,1,0,0|1,0,0]=2 2826 B16R2.33399 CC(=NNCC1CC1)c2ccc(cc2)O 4a_100000736359_100000185113 [0,0,0,1,0,0|2,0,1]=4 2827 B16R2.33399 CC(CNCC1CC1)c2ccc(cc2)O 269862a_200015188644_100000741477 [0,0,0,1,0,0|1,0,0]=2 2828 B16R2.33399 CC(CNCC1CC1)c2ccc(cc2)O 34a_200015188644_100000742324 [0,0,0,1,0,0|1,0,0]=2 2829 B16R2.33399 CC(CNCC1CO1)c2ccc(cc2)O 34a_200015188644_102125554688 [0,0,0,1,0,0|2,0,0]=3 2830 B16R2.33399 C[C@H](NCCC1CC1)c2ccc(cc2)O 2230a_100161106496_100000694398 [0,0,0,1,0,0|3,0,0]=4 2831 B16R2.33399 Cc1ccc(cc1)C(=O)CNCC2CC2 2230a_100000735609_100000211441 [0,0,0,1,0,0|1,0,2]=4 2832 B16R2.33399 Cc1ccc(cc1)C(=O)CNCC2CC2 34a_100000735609_100000211441 [0,0,0,1,0,0|1,0,2]=4 2833 B16R2.33399 Cc1ccc(cc1)C(O)CNCC2CC2 2230a_200020610344_100000742324 [0,0,0,1,0,0|1,0,0]=2 2834 B16R2.33399 Cc1ccc(cc1)C(O)CNCC2CC2 269862a_200020610344_100000741477 [0,0,0,1,0,0|1,0,0]=2 2835 B16R2.33399 Cc1ccc(cc1)C(O)CNCC2CC2 34a_200020610344_100000742324 [0,0,0,1,0,0|1,0,0]=2 2836 B16R2.33399 Cc1ccc(cc1)C(O)CNCC2CO2 2230a_200020610344_100011216344 [0,0,0,1,0,0|2,0,0]=3 2837 B16R2.33399 Cc1ccc(cc1)C(O)CNCC2CO2 34a_200020610344_102125554688 [0,0,0,1,0,0|2,0,0]=3 2838 B16R2.33399 Cc1ccc(cc1)[C@@H](N)COCC2CC2 34a_100009818840_100000742324 [0,0,0,1,0,0|3,0,0]=4 2839 B16R2.33399 NC(COCC1CC1)c2ccc(cc2)Br 34a_100000734186_100000742324 [0,0,0,1,0,0|3,0,0]=4 2840 B16R2.33399 NC(COCC1CC1)c2ccc(cc2)F 34a_100000705410_100000742324 [0,0,0,1,0,0|3,0,0]=4 2841 B16R2.33399 N[C@H](COCC1CC1)c2ccc(cc2)Cl 34a_100009818818_100000742324 [0,0,0,1,0,0|3,0,0]=4 2842 B16R2.33399 O=C(CNCC1CC1)c2ccc(cc2)Br 34a_100000735609_100000188085 [0,0,0,1,0,0|1,0,2]=4 2843 B16R2.33399 O=C(CNCC1CC1)c2ccc(cc2)I 34a_100000735609_100011216261 [0,0,0,1,0,0|1,0,2]=4 2844 B16R2.33399 O=C(CNCC1CC1)c2ccc(cc2)O 34a_100000735609_100009814261 [0,0,0,1,0,0|0,0,2]=3 2845 B16R2.33399 O=C(COCC1CC1)c2ccc(cc2)O 34a_100000211283_100009814261 [0,0,0,1,0,0|1,0,2]=4 2846 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)O 62a_100000756562_100009814261 [0,0,0,1,0,0|1,0,2]=4 2847 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)O 62a_100009814261_100000742324 [0,0,0,1,0,0|1,0,2]=4 2848 B16R2.33399 O=C(NNCC1CC1)c2ccc(cc2)O 22a_100000736359_100000212099 [0,0,0,1,0,0|1,0,2]=4 2849 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Br 2230a_100020626992_100000742324 [0,0,0,1,0,0|1,0,0]=2 2850 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Br 269862a_100020626992_100000741477 [0,0,0,1,0,0|1,0,0]=2 2851 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Br 34a_100020626992_100000742324 [0,0,0,1,0,0|1,0,0]=2 2852 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Cl 2230a_100000735609_200011996143 [0,0,0,1,0,0|1,0,0]=2 2853 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Cl 2230a_100000736658_100000742324 [0,0,0,1,0,0|1,0,0]=2 2854 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Cl 269862a_100000736658_100000741477 [0,0,0,1,0,0|1,0,0]=2 2855 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Cl 34a_100000735609_200011996143 [0,0,0,1,0,0|1,0,0]=2 2856 B16R2.33399 OC(CNCC1CC1)c2ccc(cc2)Cl 34a_100000736658_100000742324 [0,0,0,1,0,0|1,0,0]=2 2857 B16R2.33399 OC(CNCC1CO1)c2ccc(cc2)Br 2230a_100020626992_100011216344 [0,0,0,1,0,0|2,0,0]=3 2858 B16R2.33399 OC(CNCC1CO1)c2ccc(cc2)Br 34a_100020626992_102125554688 [0,0,0,1,0,0|2,0,0]=3 2859 B16R2.33399 OC(CNCC1CO1)c2ccc(cc2)Cl 2230a_100000736658_100011216344 [0,0,0,1,0,0|2,0,0]=3 2860 B16R2.33399 OC(CNCC1CO1)c2ccc(cc2)Cl 34a_100000736658_102125554688 [0,0,0,1,0,0|2,0,0]=3 2861 B16R2.33399 OC(COCC1CC1)c2ccc(cc2)Cl 34a_100000211283_200011996143 [0,0,0,1,0,0|2,0,0]=3 2862 B16R2.33399 OC(COC[C@@H]1CO1)c2ccc(cc2)Cl 34a_100000757423_200011996143 [0,0,0,1,0,0|3,0,0]=4 2863 B16R2.33399 OC(CSCC1CC1)c2ccc(cc2)Cl 62a_100000756562_200011996143 [0,0,0,1,0,0|2,0,0]=3 2864 B16R2.33399 OC(CSCC1CC1)c2ccc(cc2)Cl 62a_200011996143_100000742324 [0,0,0,1,0,0|2,0,0]=3 2865 B16R2.33399 OC(CSCC1CO1)c2ccc(cc2)Cl 62a_102125554688_200011996143 [0,0,0,1,0,0|3,0,0]=4 2866 B16R2.33399 OC(CSCC1CO1)c2ccc(cc2)Cl 62a_200011996143_102125554688 [0,0,0,1,0,0|3,0,0]=4 2867 B16R2.33399 OC(CSCC1CS1)c2ccc(cc2)Cl 62a_100000031435_200011996143 [0,0,0,1,0,0|3,0,0]=4 2868 B16R2.33399 OC(CSCC1CS1)c2ccc(cc2)Cl 62a_200011996143_100000031435 [0,0,0,1,0,0|3,0,0]=4 2869 B16R2.33399 OC(CSC[C@@H]1CO1)c2ccc(cc2)Cl 62a_100000745022_200011996143 [0,0,0,1,0,0|3,0,0]=4 2870 B16R2.33399 OC(CSC[C@@H]1CO1)c2ccc(cc2)Cl 62a_200011996143_100000745022 [0,0,0,1,0,0|3,0,0]=4 2871 B16R2.33399 O[C@@H](CNCC1CC1)c2ccc(cc2)F 2230a_100000735609_100000720402 [0,0,0,1,0,0|1,0,0]=2 2872 B16R2.33399 O[C@@H](CNCC1CC1)c2ccc(cc2)F 34a_100000735609_100000720402 [0,0,0,1,0,0|1,0,0]=2 2873 B16R2.33399 O[C@@H](COCC1CC1)c2ccc(cc2)F 34a_100000211283_100000720402 [0,0,0,1,0,0|2,0,0]=3 2874 B16R2.33399 O[C@@H](COC[C@@H]1CO1)c2ccc(cc2)F 34a_100000757423_100000720402 [0,0,0,1,0,0|3,0,0]=4 2875 B16R2.33399 O[C@@H](CSCC1CC1)c2ccc(cc2)F 62a_100000720402_100000742324 [0,0,0,1,0,0|2,0,0]=3 2876 B16R2.33399 O[C@@H](CSCC1CC1)c2ccc(cc2)F 62a_100000756562_100000720402 [0,0,0,1,0,0|2,0,0]=3 2877 B16R2.33399 O[C@@H](CSCC1CO1)c2ccc(cc2)F 62a_100000720402_102125554688 [0,0,0,1,0,0|3,0,0]=4 2878 B16R2.33399 O[C@@H](CSCC1CO1)c2ccc(cc2)F 62a_102125554688_100000720402 [0,0,0,1,0,0|3,0,0]=4 2879 B16R2.33399 O[C@@H](CSCC1CS1)c2ccc(cc2)F 62a_100000031435_100000720402 [0,0,0,1,0,0|3,0,0]=4 2880 B16R2.33399 O[C@@H](CSCC1CS1)c2ccc(cc2)F 62a_100000720402_100000031435 [0,0,0,1,0,0|3,0,0]=4 2881 B16R2.33399 O[C@@H](CSC[C@@H]1CO1)c2ccc(cc2)F 62a_100000720402_100000745022 [0,0,0,1,0,0|3,0,0]=4 2882 B16R2.33399 O[C@@H](CSC[C@@H]1CO1)c2ccc(cc2)F 62a_100000745022_100000720402 [0,0,0,1,0,0|3,0,0]=4 2883 B16R2.33399 Oc1ccc(cc1)C(O)CNCC2CC2 34a_100000067596_100000742324 [0,0,0,1,0,0|0,0,0]=1 2884 B16R2.33399 Oc1ccc(cc1)C(O)CNCC2CO2 34a_100000067596_102125554688 [0,0,0,1,0,0|1,0,0]=2 2885 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 2230a_100015189416_100010228477 [0,0,0,0,0,1|3,0,0]=4 2886 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 2230a_200020586543_100011934791 [0,0,0,0,0,1|3,0,0]=4 2887 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 34a_100015189416_100010228477 [0,0,0,0,0,1|3,0,0]=4 2888 B16R1.54 CC(CNCCCF)Oc1ccc(cc1)F 34a_200020586543_100011934791 [0,0,0,0,0,1|3,0,0]=4 2889 B16R1.54 CC(CNCCCO)Oc1ccc(cc1)F 2230a_200020586543_100000230001 [0,0,0,0,0,1|3,0,0]=4 2890 B16R1.54 CC(CNCCCO)Oc1ccc(cc1)F 34a_200020586543_100000230001 [0,0,0,0,0,1|3,0,0]=4 2891 B16R1.54 CCCCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210757 [0,0,0,0,0,1|1,0,2]=4 2892 B16R1.54 CCCCCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100102632555 [0,0,0,0,0,1|1,0,2]=4 2893 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215978 [0,0,0,0,0,1|3,0,0]=4 2894 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215978 [0,0,0,0,0,1|3,0,0]=4 2895 B16R1.54 CCCCCCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215978 [0,0,0,0,0,1|2,0,0]=3 2896 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215978 [0,0,0,0,0,1|3,0,0]=4 2897 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)C 7a_100000210336_100011215978 [0,0,0,0,0,1|3,0,0]=4 2898 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215978 [0,0,0,0,0,1|3,0,0]=4 2899 B16R1.54 CCCCCCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215978 [0,0,0,0,0,1|3,0,0]=4 2900 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)N 62a_100000185761_100011215978 [0,0,0,0,0,1|3,0,0]=4 2901 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)N 62a_100011215978_100000185761 [0,0,0,0,0,1|3,0,0]=4 2902 B16R1.54 CCCCCCC(C)Sc1ccc(cc1)O 62a_100011215978_100000185759 [0,0,0,0,0,1|2,0,0]=3 2903 B16R1.54 CCCCCCC(C)Sc1ccc(cn1)O 62a_100000685995_100011215978 [0,0,0,0,0,1|3,0,0]=4 2904 B16R1.54 CCCCCCC(C)Sc1ccc(cn1)O 62a_100011215978_100000744096 [0,0,0,0,0,1|3,0,0]=4 2905 B16R1.54 CCCCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210314 [0,0,0,0,0,1|3,0,0]=4 2906 B16R1.54 CCCCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210757 [0,0,0,0,0,1|3,0,0]=4 2907 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210326 [0,0,0,0,0,1|3,0,0]=4 2908 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 270004a_100000209983_100011218180 [0,0,0,0,0,1|3,0,0]=4 2909 B16R1.54 CCCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000718602 [0,0,0,0,0,1|3,0,0]=4 2910 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)Br 2230a_100000102301_100000183692 [0,0,0,0,0,1|1,0,2]=4 2911 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_100000210211 [0,0,0,0,0,1|1,0,2]=4 2912 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)Br 7a_106832991798_100000183692 [0,0,0,0,0,1|1,0,2]=4 2913 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)C 2230a_100000102301_100000182914 [0,0,0,0,0,1|1,0,2]=4 2914 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)C 7a_106832991798_100000182914 [0,0,0,0,0,1|1,0,2]=4 2915 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)Cl 2230a_100000102301_100000182960 [0,0,0,0,0,1|1,0,2]=4 2916 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)Cl 7a_106832991798_100000182960 [0,0,0,0,0,1|1,0,2]=4 2917 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)F 2230a_100000102301_100000181725 [0,0,0,0,0,1|1,0,2]=4 2918 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_100000210211 [0,0,0,0,0,1|1,0,2]=4 2919 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)F 34a_100025683178_100000210210 [0,0,0,0,0,1|1,0,2]=4 2920 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)F 7a_106832991798_100000181725 [0,0,0,0,0,1|1,0,2]=4 2921 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)I 2230a_100000102301_100000183000 [0,0,0,0,0,1|1,0,2]=4 2922 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)I 7a_106832991798_100000183000 [0,0,0,0,0,1|1,0,2]=4 2923 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)O 2230a_100000102301_100000233757 [0,0,0,0,0,1|0,0,2]=3 2924 B16R1.54 CCCCNCC(=O)Nc1ccc(cc1)O 7a_106832991798_100000233757 [0,0,0,0,0,1|0,0,2]=3 2925 B16R1.54 CCCCNCC(=O)Oc1ccc(cc1)Br 2230a_100000102301_200010760497 [0,0,0,0,0,1|1,0,2]=4 2926 B16R1.54 CCCCNCC(=O)Oc1ccc(cc1)Br 7a_106832991798_200010760497 [0,0,0,0,0,1|1,0,2]=4 2927 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000210211 [0,0,0,0,0,1|2,0,0]=3 2928 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000210210 [0,0,0,0,0,1|2,0,0]=3 2929 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 2230a_100000102301_100010228477 [0,0,0,0,0,1|2,0,0]=3 2930 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000210211 [0,0,0,0,0,1|2,0,0]=3 2931 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000210210 [0,0,0,0,0,1|2,0,0]=3 2932 B16R1.54 CCCCNCC(C)Oc1ccc(cc1)F 7a_106832991798_100010228477 [0,0,0,0,0,1|2,0,0]=3 2933 B16R1.54 CCCCNNC(=O)Cc1ccc(cc1)O 22a_100025702795_100000198540 [0,0,0,0,0,1|1,0,2]=4 2934 B16R1.54 CCCCOCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011995733 [0,0,0,0,0,1|1,0,2]=4 2935 B16R1.54 CCCCOCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000757543 [0,0,0,0,0,1|1,0,2]=4 2936 B16R1.54 CCCCOCC(=O)Nc1ccc(cc1)O 34a_100000210227_100000233757 [0,0,0,0,0,1|1,0,2]=4 2937 B16R1.54 CCCCOCC(=O)Nc1ccc(cc1)O 7a_100000210227_100000233757 [0,0,0,0,0,1|1,0,2]=4 2938 B16R1.54 CCCCOCC(C)Oc1ccc(cc1)F 34a_100000210227_100010228477 [0,0,0,0,0,1|3,0,0]=4 2939 B16R1.54 CCCCOCC(C)Oc1ccc(cc1)F 7a_100000210227_100010228477 [0,0,0,0,0,1|3,0,0]=4 2940 B16R1.54 CCCCOCC(N)Cc1ccc(cc1)Cl 34a_100025702442_100000210210 [0,0,0,0,0,1|3,0,0]=4 2941 B16R1.54 CCCCOCN(C)Cc1ccc(cc1)O 2230a_100000207500_100011995733 [0,0,0,0,0,1|3,0,0]=4 2942 B16R1.54 CCCCOCN(C)Cc1ccc(cc1)O 269982a_100000207500_100011995733 [0,0,0,0,0,1|3,0,0]=4 2943 B16R1.54 CCCCSCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000191162 [0,0,0,0,0,1|1,0,2]=4 2944 B16R1.54 CCCCSCC(=O)Nc1ccc(cc1)O 62a_100000210211_100000233757 [0,0,0,0,0,1|1,0,2]=4 2945 B16R1.54 CCCCSCC(C)Oc1ccc(cc1)F 62a_100000210211_100010228477 [0,0,0,0,0,1|3,0,0]=4 2946 B16R1.54 CCCCSCC(C)Oc1ccc(cc1)F 62a_100010228477_100000210210 [0,0,0,0,0,1|3,0,0]=4 2947 B16R1.54 COCCNCC(=O)Nc1ccc(cc1)O 2230a_100000209980_100000233757 [0,0,0,0,0,1|1,0,2]=4 2948 B16R1.54 COCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100011201679 [0,0,0,0,0,1|3,0,0]=4 2949 B16R1.54 COCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100011201679 [0,0,0,0,0,1|3,0,0]=4 2950 B16R1.54 COCCNCC(C)Oc1ccc(cc1)F 2230a_100000209980_100010228477 [0,0,0,0,0,1|3,0,0]=4 2951 B16R1.54 COCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100011201679 [0,0,0,0,0,1|3,0,0]=4 2952 B16R1.54 COCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100011201679 [0,0,0,0,0,1|3,0,0]=4 2953 B16R1.54 CSCCNCC(=O)Nc1ccc(cc1)O 2230a_100020590264_100000233757 [0,0,0,0,0,1|1,0,2]=4 2954 B16R1.54 CSCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000751147 [0,0,0,0,0,1|3,0,0]=4 2955 B16R1.54 CSCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000212216 [0,0,0,0,0,1|3,0,0]=4 2956 B16R1.54 CSCCNCC(C)Oc1ccc(cc1)F 2230a_100020590264_100010228477 [0,0,0,0,0,1|3,0,0]=4 2957 B16R1.54 CSCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000751147 [0,0,0,0,0,1|3,0,0]=4 2958 B16R1.54 CSCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000212216 [0,0,0,0,0,1|3,0,0]=4 2959 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCF 2230a_100000763606_100011934791 [0,0,0,0,0,1|3,0,0]=4 2960 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCF 34a_100000763606_100011934791 [0,0,0,0,0,1|3,0,0]=4 2961 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCO 2230a_100000763606_100000230001 [0,0,0,0,0,1|3,0,0]=4 2962 B16R1.54 Cc1ccc(cc1)OC(C)CNCCCO 34a_100000763606_100000230001 [0,0,0,0,0,1|3,0,0]=4 2963 B16R1.54 O=C(CNCCCF)Nc1ccc(cc1)O 2230a_100015189416_100000233757 [0,0,0,0,0,1|1,0,2]=4 2964 B16R1.54 O=C(CNCCCF)Nc1ccc(cc1)O 34a_100015189416_100000233757 [0,0,0,0,0,1|1,0,2]=4 2965 B13R1.9 C#CCCNCc1ccc(cc1)O 34a_100000185549_100000688953 [2,0,0,0,0,0|0,0,2]=4 2966 B13R1.9 C#CCNCCc1ccc(cc1)O 34a_100000743037_100000184674 [2,0,0,0,0,0|0,0,2]=4 2967 B13R1.9 C/C=C/CNCc1ccc(cc1)O 34a_100000185549_100102629194 [2,0,0,0,0,0|0,0,2]=4 2968 B13R1.9 C=CCCNCc1ccc(cc1)O 34a_100000185549_100000754431 [2,0,0,0,0,0|0,0,2]=4 2969 B13R1.9 C=CCNCCc1ccc(cc1)O 2230a_100020586998_100009816426 [2,0,0,0,0,0|0,0,2]=4 2970 B13R1.9 C=CCNCCc1ccc(cc1)O 34a_100000743037_100015514636 [2,0,0,0,0,0|0,0,2]=4 2971 B13R1.9 CC#CCNCc1ccc(cc1)O 34a_100000185549_100000748600 [2,0,0,0,0,0|0,0,2]=4 2972 B13R1.9 CC=CCNCc1ccc(cc1)O 34a_100000185549_100000070051 [2,0,0,0,0,0|0,0,2]=4 2973 B13R1.9 CCCCC=Cc1ccc(cc1)O 271570a_100016275911_100000185759 [2,0,0,0,0,0|0,0,2]=4 2974 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [2,0,0,0,0,0|0,0,0]=2 2975 B13R1.9 CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210326 [2,0,0,0,0,0|2,0,0]=4 2976 B13R1.9 CCCCCNc1ccc(cc1)Br 34a_100000210018_100000718602 [2,0,0,0,0,0|2,0,0]=4 2977 B13R1.9 CCCCCNc1ccc(cc1)C 34a_100000124888_100000718602 [2,0,0,0,0,0|2,0,0]=4 2978 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [2,0,0,0,0,0|2,0,0]=4 2979 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [2,0,0,0,0,0|2,0,0]=4 2980 B13R1.9 CCCCCNc1ccc(cc1)F 34a_100000185862_100000718602 [2,0,0,0,0,0|2,0,0]=4 2981 B13R1.9 CCCCCNc1ccc(cc1)I 34a_100000185761_100000718602 [2,0,0,0,0,0|2,0,0]=4 2982 B13R1.9 CCCCCNc1ccc(cc1)O 34a_100000185829_100000718602 [2,0,0,0,0,0|1,0,0]=3 2983 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [2,0,0,0,0,0|2,0,0]=4 2984 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [2,0,0,0,0,0|2,0,0]=4 2985 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [2,0,0,0,0,0|2,0,0]=4 2986 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [2,0,0,0,0,0|2,0,0]=4 2987 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [2,0,0,0,0,0|2,0,0]=4 2988 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [2,0,0,0,0,0|2,0,0]=4 2989 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [2,0,0,0,0,0|2,0,0]=4 2990 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [2,0,0,0,0,0|2,0,0]=4 2991 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [2,0,0,0,0,0|2,0,0]=4 2992 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [2,0,0,0,0,0|2,0,0]=4 2993 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [2,0,0,0,0,0|1,0,0]=3 2994 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000210326_100000752885 [2,0,0,0,0,0|2,0,0]=4 2995 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000752885_100000210326 [2,0,0,0,0,0|2,0,0]=4 2996 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000186775_100000210326 [2,0,0,0,0,0|2,0,0]=4 2997 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000210326_100000186775 [2,0,0,0,0,0|2,0,0]=4 2998 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [2,0,0,0,0,0|2,0,0]=4 2999 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [2,0,0,0,0,0|2,0,0]=4 3000 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000210326_100000211213 [2,0,0,0,0,0|2,0,0]=4 3001 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000211213_100000210326 [2,0,0,0,0,0|2,0,0]=4 3002 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000185761_100000210326 [2,0,0,0,0,0|2,0,0]=4 3003 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000210326_100000185761 [2,0,0,0,0,0|2,0,0]=4 3004 B13R1.9 CCCCCSc1ccc(cc1)O 62a_100000210326_100000185759 [2,0,0,0,0,0|1,0,0]=3 3005 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000210326_100000744096 [2,0,0,0,0,0|2,0,0]=4 3006 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000685995_100000210326 [2,0,0,0,0,0|2,0,0]=4 3007 B13R1.9 CCCCNCc1ccc(cc1)Br 207a_100000102301_100000186029 [2,0,0,0,0,0|1,0,0]=3 3008 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000102301_100011217064 [2,0,0,0,0,0|1,0,0]=3 3009 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210211 [2,0,0,0,0,0|1,0,0]=3 3010 B13R1.9 CCCCNCc1ccc(cc1)Br 270004a_100000102301_100000186029 [2,0,0,0,0,0|1,0,0]=3 3011 B13R1.9 CCCCNCc1ccc(cc1)Br 34a_100000174875_100000210210 [2,0,0,0,0,0|1,0,0]=3 3012 B13R1.9 CCCCNCc1ccc(cc1)Br 7a_106832991798_100011217064 [2,0,0,0,0,0|1,0,0]=3 3013 B13R1.9 CCCCNCc1ccc(cc1)C 207a_100000102301_100000211033 [2,0,0,0,0,0|1,0,0]=3 3014 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000102301_100000210814 [2,0,0,0,0,0|1,0,0]=3 3015 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000174908_100000210211 [2,0,0,0,0,0|1,0,0]=3 3016 B13R1.9 CCCCNCc1ccc(cc1)C 270004a_100000102301_100000211033 [2,0,0,0,0,0|1,0,0]=3 3017 B13R1.9 CCCCNCc1ccc(cc1)C 34a_100000174908_100000210210 [2,0,0,0,0,0|1,0,0]=3 3018 B13R1.9 CCCCNCc1ccc(cc1)C 7a_106832991798_100000210814 [2,0,0,0,0,0|1,0,0]=3 3019 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [2,0,0,0,0,0|1,0,0]=3 3020 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [2,0,0,0,0,0|1,0,0]=3 3021 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [2,0,0,0,0,0|1,0,0]=3 3022 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [2,0,0,0,0,0|1,0,0]=3 3023 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [2,0,0,0,0,0|1,0,0]=3 3024 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [2,0,0,0,0,0|1,0,0]=3 3025 B13R1.9 CCCCNCc1ccc(cc1)F 207a_100000102301_100000210084 [2,0,0,0,0,0|1,0,0]=3 3026 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000102301_100000198546 [2,0,0,0,0,0|1,0,0]=3 3027 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000174882_100000210211 [2,0,0,0,0,0|1,0,0]=3 3028 B13R1.9 CCCCNCc1ccc(cc1)F 270004a_100000102301_100000210084 [2,0,0,0,0,0|1,0,0]=3 3029 B13R1.9 CCCCNCc1ccc(cc1)F 34a_100000174882_100000210210 [2,0,0,0,0,0|1,0,0]=3 3030 B13R1.9 CCCCNCc1ccc(cc1)F 7a_106832991798_100000198546 [2,0,0,0,0,0|1,0,0]=3 3031 B13R1.9 CCCCNCc1ccc(cc1)I 207a_100000102301_100000188517 [2,0,0,0,0,0|1,0,0]=3 3032 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100000102301_100000189116 [2,0,0,0,0,0|1,0,0]=3 3033 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100016989417_100000210211 [2,0,0,0,0,0|1,0,0]=3 3034 B13R1.9 CCCCNCc1ccc(cc1)I 34a_100016989417_100000210210 [2,0,0,0,0,0|1,0,0]=3 3035 B13R1.9 CCCCNCc1ccc(cc1)I 7a_106832991798_100000189116 [2,0,0,0,0,0|1,0,0]=3 3036 B13R1.9 CCCCNCc1ccc(cc1)O 271570a_203496583355_100015187156 [2,0,0,0,0,0|0,0,0]=2 3037 B13R1.9 CCCCNCc1ccc(cc1)O 34a_100000185549_100000210210 [2,0,0,0,0,0|0,0,0]=2 3038 B13R1.9 CCCCNCc1ccc(cn1)Br 207a_100000102301_100000754260 [2,0,0,0,0,0|2,0,0]=4 3039 B13R1.9 CCCCNCc1ccc(cn1)Br 2230a_100000102301_100000702658 [2,0,0,0,0,0|2,0,0]=4 3040 B13R1.9 CCCCNCc1ccc(cn1)Br 270004a_100000102301_100000754260 [2,0,0,0,0,0|2,0,0]=4 3041 B13R1.9 CCCCNCc1ccc(cn1)Br 34a_100015188789_100000210210 [2,0,0,0,0,0|2,0,0]=4 3042 B13R1.9 CCCCNCc1ccc(cn1)Br 7a_106832991798_100000702658 [2,0,0,0,0,0|2,0,0]=4 3043 B13R1.9 CCCCNCc1ccc(cn1)C 207a_100000102301_100000050478 [2,0,0,0,0,0|2,0,0]=4 3044 B13R1.9 CCCCNCc1ccc(cn1)C 2230a_100000102301_100000691093 [2,0,0,0,0,0|2,0,0]=4 3045 B13R1.9 CCCCNCc1ccc(cn1)C 270004a_100000102301_100000050478 [2,0,0,0,0,0|2,0,0]=4 3046 B13R1.9 CCCCNCc1ccc(cn1)C 34a_100015187455_100000210210 [2,0,0,0,0,0|2,0,0]=4 3047 B13R1.9 CCCCNCc1ccc(cn1)C 7a_106832991798_100000691093 [2,0,0,0,0,0|2,0,0]=4 3048 B13R1.9 CCCCNCc1ccc(cn1)Cl 207a_100000102301_100011361569 [2,0,0,0,0,0|2,0,0]=4 3049 B13R1.9 CCCCNCc1ccc(cn1)Cl 2230a_100000102301_100012066911 [2,0,0,0,0,0|2,0,0]=4 3050 B13R1.9 CCCCNCc1ccc(cn1)Cl 270004a_100000102301_100011361569 [2,0,0,0,0,0|2,0,0]=4 3051 B13R1.9 CCCCNCc1ccc(cn1)Cl 34a_100000697193_100000210210 [2,0,0,0,0,0|2,0,0]=4 3052 B13R1.9 CCCCNCc1ccc(cn1)Cl 7a_106832991798_100012066911 [2,0,0,0,0,0|2,0,0]=4 3053 B13R1.9 CCCCNCc1ccc(cn1)F 207a_100000102301_100011934744 [2,0,0,0,0,0|2,0,0]=4 3054 B13R1.9 CCCCNCc1ccc(cn1)F 2230a_100000102301_100000703193 [2,0,0,0,0,0|2,0,0]=4 3055 B13R1.9 CCCCNCc1ccc(cn1)F 270004a_100000102301_100011934744 [2,0,0,0,0,0|2,0,0]=4 3056 B13R1.9 CCCCNCc1ccc(cn1)F 34a_100020620131_100000210210 [2,0,0,0,0,0|2,0,0]=4 3057 B13R1.9 CCCCNCc1ccc(cn1)F 7a_106832991798_100000703193 [2,0,0,0,0,0|2,0,0]=4 3058 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100000102301_100009831999 [2,0,0,0,0,0|2,0,0]=4 3059 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210211 [2,0,0,0,0,0|2,0,0]=4 3060 B13R1.9 CCCCNCc1ccc(nc1)Br 34a_100009817727_100000210210 [2,0,0,0,0,0|2,0,0]=4 3061 B13R1.9 CCCCNCc1ccc(nc1)Br 7a_106832991798_100009831999 [2,0,0,0,0,0|2,0,0]=4 3062 B13R1.9 CCCCNCc1ccc(nc1)C 2230a_100000102301_100016987292 [2,0,0,0,0,0|2,0,0]=4 3063 B13R1.9 CCCCNCc1ccc(nc1)C 270004a_100000102301_100000743784 [2,0,0,0,0,0|2,0,0]=4 3064 B13R1.9 CCCCNCc1ccc(nc1)C 34a_100000740942_100000210210 [2,0,0,0,0,0|2,0,0]=4 3065 B13R1.9 CCCCNCc1ccc(nc1)C 7a_106832991798_100016987292 [2,0,0,0,0,0|2,0,0]=4 3066 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000102301_100000735431 [2,0,0,0,0,0|2,0,0]=4 3067 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210211 [2,0,0,0,0,0|2,0,0]=4 3068 B13R1.9 CCCCNCc1ccc(nc1)Cl 34a_100000735879_100000210210 [2,0,0,0,0,0|2,0,0]=4 3069 B13R1.9 CCCCNCc1ccc(nc1)Cl 7a_106832991798_100000735431 [2,0,0,0,0,0|2,0,0]=4 3070 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000101913_100000210211 [2,0,0,0,0,0|2,0,0]=4 3071 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000102301_100009820150 [2,0,0,0,0,0|2,0,0]=4 3072 B13R1.9 CCCCNCc1ccc(nc1)F 34a_100000101913_100000210210 [2,0,0,0,0,0|2,0,0]=4 3073 B13R1.9 CCCCNCc1ccc(nc1)F 7a_106832991798_100009820150 [2,0,0,0,0,0|2,0,0]=4 3074 B13R1.9 CCCCNCc1ccc(nc1)O 207a_100000102301_100011361521 [2,0,0,0,0,0|1,0,0]=3 3075 B13R1.9 CCCCNCc1ccc(nc1)O 2230a_100000757128_100000210211 [2,0,0,0,0,0|1,0,0]=3 3076 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [2,0,0,0,0,0|2,0,0]=4 3077 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [2,0,0,0,0,0|2,0,0]=4 3078 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [2,0,0,0,0,0|2,0,0]=4 3079 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [2,0,0,0,0,0|2,0,0]=4 3080 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [2,0,0,0,0,0|2,0,0]=4 3081 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [2,0,0,0,0,0|2,0,0]=4 3082 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [2,0,0,0,0,0|2,0,0]=4 3083 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [2,0,0,0,0,0|2,0,0]=4 3084 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [2,0,0,0,0,0|2,0,0]=4 3085 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [2,0,0,0,0,0|2,0,0]=4 3086 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [2,0,0,0,0,0|2,0,0]=4 3087 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [2,0,0,0,0,0|2,0,0]=4 3088 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [2,0,0,0,0,0|2,0,0]=4 3089 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [2,0,0,0,0,0|2,0,0]=4 3090 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [2,0,0,0,0,0|2,0,0]=4 3091 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [2,0,0,0,0,0|2,0,0]=4 3092 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [2,0,0,0,0,0|2,0,0]=4 3093 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [2,0,0,0,0,0|2,0,0]=4 3094 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [2,0,0,0,0,0|2,0,0]=4 3095 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [2,0,0,0,0,0|2,0,0]=4 3096 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000189115_100000210210 [2,0,0,0,0,0|2,0,0]=4 3097 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000210211_100000189115 [2,0,0,0,0,0|2,0,0]=4 3098 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210211_100000210814 [2,0,0,0,0,0|2,0,0]=4 3099 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210814_100000210210 [2,0,0,0,0,0|2,0,0]=4 3100 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [2,0,0,0,0,0|2,0,0]=4 3101 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [2,0,0,0,0,0|2,0,0]=4 3102 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000198546_100000210210 [2,0,0,0,0,0|2,0,0]=4 3103 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000210211_100000187164 [2,0,0,0,0,0|2,0,0]=4 3104 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000189116_100000210210 [2,0,0,0,0,0|2,0,0]=4 3105 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000210211_100000189116 [2,0,0,0,0,0|2,0,0]=4 3106 B13R1.9 CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210303 [2,0,0,0,0,0|1,0,0]=3 3107 B13R1.9 CCCNCCc1ccc(cc1)Br 34a_100000755846_100000210303 [2,0,0,0,0,0|1,0,0]=3 3108 B13R1.9 CCCNCCc1ccc(cc1)C 2230a_100000705350_100000210303 [2,0,0,0,0,0|1,0,0]=3 3109 B13R1.9 CCCNCCc1ccc(cc1)C 34a_100000705350_100000210303 [2,0,0,0,0,0|1,0,0]=3 3110 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [2,0,0,0,0,0|1,0,0]=3 3111 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [2,0,0,0,0,0|1,0,0]=3 3112 B13R1.9 CCCNCCc1ccc(cc1)F 2230a_100000199005_100000210303 [2,0,0,0,0,0|1,0,0]=3 3113 B13R1.9 CCCNCCc1ccc(cc1)F 34a_100000199005_100000210303 [2,0,0,0,0,0|1,0,0]=3 3114 B13R1.9 CCCNCCc1ccc(cc1)O 34a_100000743037_100000210303 [2,0,0,0,0,0|0,0,0]=2 3115 B13R1.9 CCCNN=Cc1ccc(cc1)O 4a_100000740057_100000185832 [2,0,0,0,0,0|1,0,1]=4 3116 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000210258_100011740612 [2,0,0,0,0,0|2,0,0]=4 3117 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000766406_100000210303 [2,0,0,0,0,0|2,0,0]=4 3118 B13R1.9 CCCOCCc1ccc(cc1)Br 7a_100000766406_100000210303 [2,0,0,0,0,0|2,0,0]=4 3119 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000210258_100011713686 [2,0,0,0,0,0|2,0,0]=4 3120 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000756670_100000210303 [2,0,0,0,0,0|2,0,0]=4 3121 B13R1.9 CCCOCCc1ccc(cc1)C 7a_100000756670_100000210303 [2,0,0,0,0,0|2,0,0]=4 3122 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [2,0,0,0,0,0|2,0,0]=4 3123 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [2,0,0,0,0,0|2,0,0]=4 3124 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [2,0,0,0,0,0|2,0,0]=4 3125 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000210258_100011217392 [2,0,0,0,0,0|2,0,0]=4 3126 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000754732_100000210303 [2,0,0,0,0,0|2,0,0]=4 3127 B13R1.9 CCCOCCc1ccc(cc1)F 7a_100000754732_100000210303 [2,0,0,0,0,0|2,0,0]=4 3128 B13R1.9 CCCOCCc1ccc(cc1)I 34a_100012291149_100000210303 [2,0,0,0,0,0|2,0,0]=4 3129 B13R1.9 CCCOCCc1ccc(cc1)I 7a_100012291149_100000210303 [2,0,0,0,0,0|2,0,0]=4 3130 B13R1.9 CCCOCCc1ccc(cc1)N 34a_100011204434_100000210303 [2,0,0,0,0,0|2,0,0]=4 3131 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100000210303_100011740612 [2,0,0,0,0,0|2,0,0]=4 3132 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100011740612_100000210303 [2,0,0,0,0,0|2,0,0]=4 3133 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100000210303_100011713686 [2,0,0,0,0,0|2,0,0]=4 3134 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100011713686_100000210303 [2,0,0,0,0,0|2,0,0]=4 3135 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [2,0,0,0,0,0|2,0,0]=4 3136 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [2,0,0,0,0,0|2,0,0]=4 3137 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100000210303_100011217392 [2,0,0,0,0,0|2,0,0]=4 3138 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100011217392_100000210303 [2,0,0,0,0,0|2,0,0]=4 3139 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100000210303_100009816426 [2,0,0,0,0,0|1,0,0]=3 3140 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100009816426_100000210303 [2,0,0,0,0,0|1,0,0]=3 3141 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210202 [2,0,0,0,0,0|2,0,0]=4 3142 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100015525214_100011713682 [2,0,0,0,0,0|2,0,0]=4 3143 B13R1.9 CCNCCCc1ccc(cc1)Br 34a_100011297623_100000210202 [2,0,0,0,0,0|2,0,0]=4 3144 B13R1.9 CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210202 [2,0,0,0,0,0|2,0,0]=4 3145 B13R1.9 CCNCCCc1ccc(cc1)C 34a_100011236272_100000210202 [2,0,0,0,0,0|2,0,0]=4 3146 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [2,0,0,0,0,0|2,0,0]=4 3147 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [2,0,0,0,0,0|2,0,0]=4 3148 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [2,0,0,0,0,0|2,0,0]=4 3149 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100015525214_200011713563 [2,0,0,0,0,0|2,0,0]=4 3150 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210202 [2,0,0,0,0,0|2,0,0]=4 3151 B13R1.9 CCNCCCc1ccc(cc1)F 34a_100025745824_100000210202 [2,0,0,0,0,0|2,0,0]=4 3152 B13R1.9 CCNCCOc1ccc(cc1)O 271570a_203496583355_100000762749 [2,0,0,0,0,0|2,0,0]=4 3153 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100011709247_100000210202 [2,0,0,0,0,0|2,0,0]=4 3154 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100121572206_100011713682 [2,0,0,0,0,0|2,0,0]=4 3155 B13R1.9 CCOCCCc1ccc(cc1)Br 7a_100011709247_100000210202 [2,0,0,0,0,0|2,0,0]=4 3156 B13R1.9 CCOCCCc1ccc(cc1)C 34a_100000189427_100000210202 [2,0,0,0,0,0|2,0,0]=4 3157 B13R1.9 CCOCCCc1ccc(cc1)C 7a_100000189427_100000210202 [2,0,0,0,0,0|2,0,0]=4 3158 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [2,0,0,0,0,0|2,0,0]=4 3159 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [2,0,0,0,0,0|2,0,0]=4 3160 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [2,0,0,0,0,0|2,0,0]=4 3161 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100000757351_100000210202 [2,0,0,0,0,0|2,0,0]=4 3162 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100121572206_200011713563 [2,0,0,0,0,0|2,0,0]=4 3163 B13R1.9 CCOCCCc1ccc(cc1)F 7a_100000757351_100000210202 [2,0,0,0,0,0|2,0,0]=4 3164 B13R1.9 CCOCCNc1ccc(cc1)O 34a_100000185829_100000210147 [2,0,0,0,0,0|2,0,0]=4 3165 B13R1.9 CCOCCOc1ccc(cc1)O 271570a_203496583355_200000169944 [2,0,0,0,0,0|2,0,0]=4 3166 B13R1.9 CCOCCSc1ccc(cc1)O 62a_100000210147_100000185759 [2,0,0,0,0,0|2,0,0]=4 3167 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100000210202_100011713682 [2,0,0,0,0,0|2,0,0]=4 3168 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100011713682_100000210202 [2,0,0,0,0,0|2,0,0]=4 3169 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [2,0,0,0,0,0|2,0,0]=4 3170 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [2,0,0,0,0,0|2,0,0]=4 3171 B13R1.9 CCSCCCc1ccc(cc1)F 62a_100000210202_200011713563 [2,0,0,0,0,0|2,0,0]=4 3172 B13R1.9 CCSCCCc1ccc(cc1)F 62a_200011713563_100000210202 [2,0,0,0,0,0|2,0,0]=4 3173 B13R1.9 CCSCCNc1ccc(cc1)O 34a_100000185829_100000757381 [2,0,0,0,0,0|2,0,0]=4 3174 B13R1.9 CCSCCSc1ccc(cc1)O 62a_100000757381_100000185759 [2,0,0,0,0,0|2,0,0]=4 3175 B13R1.9 CNCCCCc1ccc(cc1)Br 2230a_106832991635_200012094861 [2,0,0,0,0,0|2,0,0]=4 3176 B13R1.9 CNCCCCc1ccc(cc1)Br 34a_100102657272_200012094861 [2,0,0,0,0,0|2,0,0]=4 3177 B13R1.9 CNCCCCc1ccc(cc1)Br 7a_106832991635_200012094861 [2,0,0,0,0,0|2,0,0]=4 3178 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [2,0,0,0,0,0|2,0,0]=4 3179 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [2,0,0,0,0,0|2,0,0]=4 3180 B13R1.9 CNCCCCc1ccc(cc1)F 2230a_106832991635_100012093538 [2,0,0,0,0,0|2,0,0]=4 3181 B13R1.9 CNCCCCc1ccc(cc1)F 34a_100102657272_100012093538 [2,0,0,0,0,0|2,0,0]=4 3182 B13R1.9 CNCCCCc1ccc(cc1)F 7a_106832991635_100012093538 [2,0,0,0,0,0|2,0,0]=4 3183 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [2,0,0,0,0,0|2,0,0]=4 3184 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [2,0,0,0,0,0|2,0,0]=4 3185 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [2,0,0,0,0,0|2,0,0]=4 3186 B13R1.9 COCCCNc1ccc(cc1)O 34a_100000185829_100000740836 [2,0,0,0,0,0|2,0,0]=4 3187 B13R1.9 COCCCOc1ccc(cc1)O 271570a_203496583355_200011326559 [2,0,0,0,0,0|2,0,0]=4 3188 B13R1.9 COCCCSc1ccc(cc1)O 62a_100000709357_100000185759 [2,0,0,0,0,0|2,0,0]=4 3189 B13R1.9 COCCNCc1ccc(cc1)Br 207a_100000209980_100000186029 [2,0,0,0,0,0|2,0,0]=4 3190 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000174875_100011201679 [2,0,0,0,0,0|2,0,0]=4 3191 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000209980_100011217064 [2,0,0,0,0,0|2,0,0]=4 3192 B13R1.9 COCCNCc1ccc(cc1)Br 270004a_100000209980_100000186029 [2,0,0,0,0,0|2,0,0]=4 3193 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000174875_100011201679 [2,0,0,0,0,0|2,0,0]=4 3194 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000186819_200000210301 [2,0,0,0,0,0|2,0,0]=4 3195 B13R1.9 COCCNCc1ccc(cc1)C 207a_100000209980_100000211033 [2,0,0,0,0,0|2,0,0]=4 3196 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000174908_100011201679 [2,0,0,0,0,0|2,0,0]=4 3197 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000209980_100000210814 [2,0,0,0,0,0|2,0,0]=4 3198 B13R1.9 COCCNCc1ccc(cc1)C 270004a_100000209980_100000211033 [2,0,0,0,0,0|2,0,0]=4 3199 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000174908_100011201679 [2,0,0,0,0,0|2,0,0]=4 3200 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000186992_200000210301 [2,0,0,0,0,0|2,0,0]=4 3201 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [2,0,0,0,0,0|2,0,0]=4 3202 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [2,0,0,0,0,0|2,0,0]=4 3203 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [2,0,0,0,0,0|2,0,0]=4 3204 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [2,0,0,0,0,0|2,0,0]=4 3205 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [2,0,0,0,0,0|2,0,0]=4 3206 B13R1.9 COCCNCc1ccc(cc1)F 207a_100000209980_100000210084 [2,0,0,0,0,0|2,0,0]=4 3207 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000174882_100011201679 [2,0,0,0,0,0|2,0,0]=4 3208 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000209980_100000198546 [2,0,0,0,0,0|2,0,0]=4 3209 B13R1.9 COCCNCc1ccc(cc1)F 270004a_100000209980_100000210084 [2,0,0,0,0,0|2,0,0]=4 3210 B13R1.9 COCCNCc1ccc(cc1)F 34a_100000174882_100011201679 [2,0,0,0,0,0|2,0,0]=4 3211 B13R1.9 COCCNCc1ccc(cc1)F 34a_100015183715_200000210301 [2,0,0,0,0,0|2,0,0]=4 3212 B13R1.9 COCCNCc1ccc(cc1)I 207a_100000209980_100000188517 [2,0,0,0,0,0|2,0,0]=4 3213 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100000209980_100000189116 [2,0,0,0,0,0|2,0,0]=4 3214 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100016989417_100011201679 [2,0,0,0,0,0|2,0,0]=4 3215 B13R1.9 COCCNCc1ccc(cc1)I 34a_100016989417_100011201679 [2,0,0,0,0,0|2,0,0]=4 3216 B13R1.9 COCCNCc1ccc(cc1)O 271570a_203496583355_100015187160 [2,0,0,0,0,0|1,0,0]=3 3217 B13R1.9 COCCNCc1ccc(cc1)O 34a_100000185549_100011201679 [2,0,0,0,0,0|1,0,0]=3 3218 B13R1.9 COCCNCc1ccc(nc1)O 207a_100000209980_100011361521 [2,0,0,0,0,0|2,0,0]=4 3219 B13R1.9 COCCNCc1ccc(nc1)O 2230a_100000757128_100011201679 [2,0,0,0,0,0|2,0,0]=4 3220 B13R1.9 COCCOCc1ccc(cc1)O 271570a_203496583355_100000755069 [2,0,0,0,0,0|2,0,0]=4 3221 B13R1.9 COCNCCc1ccc(cc1)Br 2230a_100000755846_100000766300 [2,0,0,0,0,0|2,0,0]=4 3222 B13R1.9 COCNCCc1ccc(cc1)C 2230a_100000705350_100000766300 [2,0,0,0,0,0|2,0,0]=4 3223 B13R1.9 COCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766300 [2,0,0,0,0,0|2,0,0]=4 3224 B13R1.9 COCNCCc1ccc(cc1)F 2230a_100000199005_100000766300 [2,0,0,0,0,0|2,0,0]=4 3225 B13R1.9 COCSCCc1ccc(cc1)O 62a_100000766300_100009816426 [2,0,0,0,0,0|2,0,0]=4 3226 B13R1.9 COCSCCc1ccc(cc1)O 62a_100009816426_100000766300 [2,0,0,0,0,0|2,0,0]=4 3227 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200000210301_200012094861 [2,0,0,0,0,0|2,0,0]=4 3228 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200012094861_200000210301 [2,0,0,0,0,0|2,0,0]=4 3229 B13R1.9 CSCCCCc1ccc(cc1)F 62a_100012093538_200000210301 [2,0,0,0,0,0|2,0,0]=4 3230 B13R1.9 CSCCCCc1ccc(cc1)F 62a_200000210301_100012093538 [2,0,0,0,0,0|2,0,0]=4 3231 B13R1.9 CSCCNCc1ccc(cc1)Br 207a_100020590264_100000186029 [2,0,0,0,0,0|2,0,0]=4 3232 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100000174875_100000751147 [2,0,0,0,0,0|2,0,0]=4 3233 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100020590264_100011217064 [2,0,0,0,0,0|2,0,0]=4 3234 B13R1.9 CSCCNCc1ccc(cc1)Br 270004a_100020590264_100000186029 [2,0,0,0,0,0|2,0,0]=4 3235 B13R1.9 CSCCNCc1ccc(cc1)Br 34a_100000174875_100000212216 [2,0,0,0,0,0|2,0,0]=4 3236 B13R1.9 CSCCNCc1ccc(cc1)C 207a_100020590264_100000211033 [2,0,0,0,0,0|2,0,0]=4 3237 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100000174908_100000751147 [2,0,0,0,0,0|2,0,0]=4 3238 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100020590264_100000210814 [2,0,0,0,0,0|2,0,0]=4 3239 B13R1.9 CSCCNCc1ccc(cc1)C 270004a_100020590264_100000211033 [2,0,0,0,0,0|2,0,0]=4 3240 B13R1.9 CSCCNCc1ccc(cc1)C 34a_100000174908_100000212216 [2,0,0,0,0,0|2,0,0]=4 3241 B13R1.9 CSCCNCc1ccc(cc1)Cl 207a_100020590264_100000189385 [2,0,0,0,0,0|2,0,0]=4 3242 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000751147 [2,0,0,0,0,0|2,0,0]=4 3243 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100020590264_100000694040 [2,0,0,0,0,0|2,0,0]=4 3244 B13R1.9 CSCCNCc1ccc(cc1)Cl 270004a_100020590264_100000189385 [2,0,0,0,0,0|2,0,0]=4 3245 B13R1.9 CSCCNCc1ccc(cc1)Cl 34a_100000174871_100000212216 [2,0,0,0,0,0|2,0,0]=4 3246 B13R1.9 CSCCNCc1ccc(cc1)F 207a_100020590264_100000210084 [2,0,0,0,0,0|2,0,0]=4 3247 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100000174882_100000751147 [2,0,0,0,0,0|2,0,0]=4 3248 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100020590264_100000198546 [2,0,0,0,0,0|2,0,0]=4 3249 B13R1.9 CSCCNCc1ccc(cc1)F 270004a_100020590264_100000210084 [2,0,0,0,0,0|2,0,0]=4 3250 B13R1.9 CSCCNCc1ccc(cc1)F 34a_100000174882_100000212216 [2,0,0,0,0,0|2,0,0]=4 3251 B13R1.9 CSCCNCc1ccc(cc1)I 207a_100020590264_100000188517 [2,0,0,0,0,0|2,0,0]=4 3252 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100016989417_100000751147 [2,0,0,0,0,0|2,0,0]=4 3253 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100020590264_100000189116 [2,0,0,0,0,0|2,0,0]=4 3254 B13R1.9 CSCCNCc1ccc(cc1)I 34a_100016989417_100000212216 [2,0,0,0,0,0|2,0,0]=4 3255 B13R1.9 CSCCNCc1ccc(cc1)O 34a_100000185549_100000212216 [2,0,0,0,0,0|1,0,0]=3 3256 B13R1.9 CSCCNCc1ccc(nc1)O 207a_100020590264_100011361521 [2,0,0,0,0,0|2,0,0]=4 3257 B13R1.9 CSCCNCc1ccc(nc1)O 2230a_100000757128_100000751147 [2,0,0,0,0,0|2,0,0]=4 3258 B13R1.9 CSCNCCc1ccc(cc1)Br 2230a_100000755846_100011218213 [2,0,0,0,0,0|2,0,0]=4 3259 B13R1.9 CSCNCCc1ccc(cc1)Br 34a_100000755846_100011218213 [2,0,0,0,0,0|2,0,0]=4 3260 B13R1.9 CSCNCCc1ccc(cc1)C 2230a_100000705350_100011218213 [2,0,0,0,0,0|2,0,0]=4 3261 B13R1.9 CSCNCCc1ccc(cc1)C 34a_100000705350_100011218213 [2,0,0,0,0,0|2,0,0]=4 3262 B13R1.9 CSCNCCc1ccc(cc1)Cl 2230a_100000185265_100011218213 [2,0,0,0,0,0|2,0,0]=4 3263 B13R1.9 CSCNCCc1ccc(cc1)Cl 34a_100000185265_100011218213 [2,0,0,0,0,0|2,0,0]=4 3264 B13R1.9 CSCNCCc1ccc(cc1)F 2230a_100000199005_100011218213 [2,0,0,0,0,0|2,0,0]=4 3265 B13R1.9 CSCNCCc1ccc(cc1)F 34a_100000199005_100011218213 [2,0,0,0,0,0|2,0,0]=4 3266 B13R1.9 CSCNCCc1ccc(cc1)O 34a_100000743037_100011218213 [2,0,0,0,0,0|1,0,0]=3 3267 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100009816426_100011218213 [2,0,0,0,0,0|2,0,0]=4 3268 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100011218213_100009816426 [2,0,0,0,0,0|2,0,0]=4 3269 B13R1.9 Cc1ccc(cc1)CCNCCF 2230a_100000705350_100011217306 [2,0,0,0,0,0|2,0,0]=4 3270 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000705350_100011217306 [2,0,0,0,0,0|2,0,0]=4 3271 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000724931_100011713686 [2,0,0,0,0,0|2,0,0]=4 3272 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100000705350_100000211926 [2,0,0,0,0,0|2,0,0]=4 3273 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100016997473_100011713686 [2,0,0,0,0,0|2,0,0]=4 3274 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100000705350_100000211926 [2,0,0,0,0,0|2,0,0]=4 3275 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100016990907_100011713686 [2,0,0,0,0,0|2,0,0]=4 3276 B13R1.9 Cc1ccc(cc1)CNCCCF 207a_100015189416_100000211033 [2,0,0,0,0,0|2,0,0]=4 3277 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100000174908_100011934791 [2,0,0,0,0,0|2,0,0]=4 3278 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000210814 [2,0,0,0,0,0|2,0,0]=4 3279 B13R1.9 Cc1ccc(cc1)CNCCCF 270004a_100015189416_100000211033 [2,0,0,0,0,0|2,0,0]=4 3280 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100000174908_100011934791 [2,0,0,0,0,0|2,0,0]=4 3281 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100015189416_100000210814 [2,0,0,0,0,0|2,0,0]=4 3282 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [2,0,0,0,0,0|2,0,0]=4 3283 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [2,0,0,0,0,0|2,0,0]=4 3284 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [2,0,0,0,0,0|2,0,0]=4 3285 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [2,0,0,0,0,0|2,0,0]=4 3286 B13R1.9 Cc1ccc(cc1)CNCCO[13CH3] 34a_100000186992_200025704644 [2,0,0,0,0,0|2,0,0]=4 3287 B13R1.9 FCCCNCc1ccc(cc1)Br 207a_100015189416_100000186029 [2,0,0,0,0,0|2,0,0]=4 3288 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100000174875_100011934791 [2,0,0,0,0,0|2,0,0]=4 3289 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100015189416_100011217064 [2,0,0,0,0,0|2,0,0]=4 3290 B13R1.9 FCCCNCc1ccc(cc1)Br 270004a_100015189416_100000186029 [2,0,0,0,0,0|2,0,0]=4 3291 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100000174875_100011934791 [2,0,0,0,0,0|2,0,0]=4 3292 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100015189416_100000189115 [2,0,0,0,0,0|2,0,0]=4 3293 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [2,0,0,0,0,0|2,0,0]=4 3294 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [2,0,0,0,0,0|2,0,0]=4 3295 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [2,0,0,0,0,0|2,0,0]=4 3296 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [2,0,0,0,0,0|2,0,0]=4 3297 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [2,0,0,0,0,0|2,0,0]=4 3298 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [2,0,0,0,0,0|2,0,0]=4 3299 B13R1.9 FCCCNCc1ccc(cc1)F 207a_100015189416_100000210084 [2,0,0,0,0,0|2,0,0]=4 3300 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100000174882_100011934791 [2,0,0,0,0,0|2,0,0]=4 3301 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100015189416_100000198546 [2,0,0,0,0,0|2,0,0]=4 3302 B13R1.9 FCCCNCc1ccc(cc1)F 270004a_100015189416_100000210084 [2,0,0,0,0,0|2,0,0]=4 3303 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100000174882_100011934791 [2,0,0,0,0,0|2,0,0]=4 3304 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100015189416_100000198546 [2,0,0,0,0,0|2,0,0]=4 3305 B13R1.9 FCCCNCc1ccc(cc1)I 207a_100015189416_100000188517 [2,0,0,0,0,0|2,0,0]=4 3306 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100015189416_100000189116 [2,0,0,0,0,0|2,0,0]=4 3307 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100016989417_100011934791 [2,0,0,0,0,0|2,0,0]=4 3308 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100015189416_100000189116 [2,0,0,0,0,0|2,0,0]=4 3309 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100016989417_100011934791 [2,0,0,0,0,0|2,0,0]=4 3310 B13R1.9 FCCNCCc1ccc(cc1)Br 2230a_100000755846_100011217306 [2,0,0,0,0,0|2,0,0]=4 3311 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000724931_100011740612 [2,0,0,0,0,0|2,0,0]=4 3312 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000755846_100011217306 [2,0,0,0,0,0|2,0,0]=4 3313 B13R1.9 FCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011217306 [2,0,0,0,0,0|2,0,0]=4 3314 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000185265_100011217306 [2,0,0,0,0,0|2,0,0]=4 3315 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000724931_100011713675 [2,0,0,0,0,0|2,0,0]=4 3316 B13R1.9 FCCNCCc1ccc(cc1)F 2230a_100000199005_100011217306 [2,0,0,0,0,0|2,0,0]=4 3317 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000199005_100011217306 [2,0,0,0,0,0|2,0,0]=4 3318 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000724931_100011217392 [2,0,0,0,0,0|2,0,0]=4 3319 B13R1.9 O=CCNCCc1ccc(cc1)O 34a_100000743037_200009817547 [2,0,0,0,0,0|1,0,1]=4 3320 B13R1.9 OCCCCNc1ccc(cc1)O 34a_100000185829_100011216708 [2,0,0,0,0,0|2,0,0]=4 3321 B13R1.9 OCCCCSc1ccc(cc1)O 62a_100000210776_100000185759 [2,0,0,0,0,0|2,0,0]=4 3322 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [2,0,0,0,0,0|2,0,0]=4 3323 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [2,0,0,0,0,0|2,0,0]=4 3324 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [2,0,0,0,0,0|2,0,0]=4 3325 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [2,0,0,0,0,0|2,0,0]=4 3326 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [2,0,0,0,0,0|2,0,0]=4 3327 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [2,0,0,0,0,0|2,0,0]=4 3328 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [2,0,0,0,0,0|2,0,0]=4 3329 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [2,0,0,0,0,0|2,0,0]=4 3330 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [2,0,0,0,0,0|2,0,0]=4 3331 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [2,0,0,0,0,0|2,0,0]=4 3332 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [2,0,0,0,0,0|2,0,0]=4 3333 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [2,0,0,0,0,0|2,0,0]=4 3334 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [2,0,0,0,0,0|2,0,0]=4 3335 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [2,0,0,0,0,0|2,0,0]=4 3336 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [2,0,0,0,0,0|2,0,0]=4 3337 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [2,0,0,0,0,0|1,0,0]=3 3338 B13R1.9 OCCCNCc1ccc(nc1)O 207a_100000182051_100011361521 [2,0,0,0,0,0|2,0,0]=4 3339 B13R1.9 OCCCNCc1ccc(nc1)O 2230a_100000757128_100000230001 [2,0,0,0,0,0|2,0,0]=4 3340 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100000755846_100000211926 [2,0,0,0,0,0|2,0,0]=4 3341 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100016997473_100011740612 [2,0,0,0,0,0|2,0,0]=4 3342 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100000755846_100000211926 [2,0,0,0,0,0|2,0,0]=4 3343 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100016990907_100011740612 [2,0,0,0,0,0|2,0,0]=4 3344 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000211926 [2,0,0,0,0,0|2,0,0]=4 3345 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100016997473_100011713675 [2,0,0,0,0,0|2,0,0]=4 3346 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100000185265_100000211926 [2,0,0,0,0,0|2,0,0]=4 3347 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100016990907_100011713675 [2,0,0,0,0,0|2,0,0]=4 3348 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100000199005_100000211926 [2,0,0,0,0,0|2,0,0]=4 3349 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100016997473_100011217392 [2,0,0,0,0,0|2,0,0]=4 3350 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100000199005_100000211926 [2,0,0,0,0,0|2,0,0]=4 3351 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100016990907_100011217392 [2,0,0,0,0,0|2,0,0]=4 3352 B13R1.9 OCCNCCc1ccc(cc1)O 2230a_100016997473_100009816426 [2,0,0,0,0,0|1,0,0]=3 3353 B13R1.9 OCCNCCc1ccc(cc1)O 34a_100000743037_100000211926 [2,0,0,0,0,0|1,0,0]=3 3354 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100000211926_100009816426 [2,0,0,0,0,0|2,0,0]=4 3355 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100009816426_100000211926 [2,0,0,0,0,0|2,0,0]=4 3356 B13R1.9 Oc1ccc(cc1)CCNCCF 34a_100000743037_100011217306 [2,0,0,0,0,0|1,0,0]=3 3357 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100009816426_100011217306 [2,0,0,0,0,0|2,0,0]=4 3358 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100011217306_100009816426 [2,0,0,0,0,0|2,0,0]=4 3359 B13R1.9 Oc1ccc(cc1)CNCCCF 34a_100000185549_100011934791 [2,0,0,0,0,0|1,0,0]=3 3360 B13R1.9 Oc1ccc(cc1)NCCCCF 34a_100000185829_100000729493 [2,0,0,0,0,0|2,0,0]=4 3361 B13R1.9 Oc1ccc(cc1)SCCCCF 62a_100000729493_100000185759 [2,0,0,0,0,0|2,0,0]=4 3362 B13R1.9 Oc1ccc(cn1)CNCCCF 207a_100015189416_100011361521 [2,0,0,0,0,0|2,0,0]=4 3363 B13R1.9 Oc1ccc(cn1)CNCCCF 2230a_100000757128_100011934791 [2,0,0,0,0,0|2,0,0]=4 3364 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [2,0,0,0,0,0|2,0,0]=4 3365 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [2,0,0,0,0,0|2,0,0]=4 3366 B13R1.9 [13CH3]OCCNCc1ccc(cc1)Br 34a_100000186819_200025704644 [2,0,0,0,0,0|2,0,0]=4 3367 B13R1.9 [13CH3]OCCNCc1ccc(cc1)F 34a_100015183715_200025704644 [2,0,0,0,0,0|2,0,0]=4 3368 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200012094861_200025704644 [2,0,0,0,0,0|2,0,0]=4 3369 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200025704644_200012094861 [2,0,0,0,0,0|2,0,0]=4 3370 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_100012093538_200025704644 [2,0,0,0,0,0|2,0,0]=4 3371 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_200025704644_100012093538 [2,0,0,0,0,0|2,0,0]=4 3372 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [2,0,0,0,0,0|2,0,0]=4 3373 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [2,0,0,0,0,0|0,0,2]=4 3374 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [2,0,0,0,0,0|0,0,2]=4 3375 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [2,0,0,0,0,0|0,0,2]=4 3376 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [2,0,0,0,0,0|0,0,2]=4 3377 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [2,0,0,0,0,0|0,0,2]=4 3378 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [2,0,0,0,0,0|0,0,2]=4 3379 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [2,0,0,0,0,0|0,0,2]=4 3380 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000106460_100000748600 [2,0,0,0,0,0|0,0,2]=4 3381 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000685387_100000765856 [2,0,0,0,0,0|0,0,2]=4 3382 B13R1.28 CC#CCNCCc1ccccc1 34a_100000106460_100000748600 [2,0,0,0,0,0|0,0,2]=4 3383 B13R1.28 CC#CCNCCc1ccccc1 34a_100000685387_100000765856 [2,0,0,0,0,0|0,0,2]=4 3384 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [2,0,0,0,0,0|0,0,2]=4 3385 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [2,0,0,0,0,0|0,0,2]=4 3386 B13R1.28 CCC=NNCCc1ccccc1 4a_100000740470_100000210100 [2,0,0,0,0,0|1,0,1]=4 3387 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [2,0,0,0,0,0|2,0,0]=4 3388 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [2,0,0,0,0,0|2,0,0]=4 3389 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [2,0,0,0,0,0|2,0,0]=4 3390 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [2,0,0,0,0,0|2,0,0]=4 3391 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [2,0,0,0,0,0|2,0,0]=4 3392 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [2,0,0,0,0,0|2,0,0]=4 3393 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [2,0,0,0,0,0|2,0,0]=4 3394 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [2,0,0,0,0,0|2,0,0]=4 3395 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [2,0,0,0,0,0|2,0,0]=4 3396 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [2,0,0,0,0,0|2,0,0]=4 3397 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [2,0,0,0,0,0|2,0,0]=4 3398 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [2,0,0,0,0,0|2,0,0]=4 3399 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [2,0,0,0,0,0|2,0,0]=4 3400 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [2,0,0,0,0,0|2,0,0]=4 3401 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [2,0,0,0,0,0|2,0,0]=4 3402 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [2,0,0,0,0,0|2,0,0]=4 3403 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [2,0,0,0,0,0|0,0,0]=2 3404 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [2,0,0,0,0,0|0,0,0]=2 3405 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [2,0,0,0,0,0|0,0,0]=2 3406 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [2,0,0,0,0,0|0,0,0]=2 3407 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [2,0,0,0,0,0|1,0,0]=3 3408 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [2,0,0,0,0,0|1,0,0]=3 3409 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [2,0,0,0,0,0|1,0,0]=3 3410 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [2,0,0,0,0,0|1,0,0]=3 3411 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [2,0,0,0,0,0|1,0,0]=3 3412 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [2,0,0,0,0,0|1,0,0]=3 3413 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [2,0,0,0,0,0|1,0,0]=3 3414 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [2,0,0,0,0,0|1,0,0]=3 3415 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [2,0,0,0,0,0|1,0,1]=4 3416 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [2,0,0,0,0,0|1,0,0]=3 3417 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [2,0,0,0,0,0|1,0,0]=3 3418 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [2,0,0,0,0,0|1,0,0]=3 3419 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [2,0,0,0,0,0|1,0,0]=3 3420 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [2,0,0,0,0,0|2,0,0]=4 3421 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [2,0,0,0,0,0|2,0,0]=4 3422 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [2,0,0,0,0,0|2,0,0]=4 3423 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [2,0,0,0,0,0|2,0,0]=4 3424 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [2,0,0,0,0,0|2,0,0]=4 3425 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [2,0,0,0,0,0|2,0,0]=4 3426 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [2,0,0,0,0,0|2,0,0]=4 3427 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [2,0,0,0,0,0|2,0,0]=4 3428 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [2,0,0,0,0,0|2,0,0]=4 3429 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [2,0,0,0,0,0|2,0,0]=4 3430 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [2,0,0,0,0,0|1,0,0]=3 3431 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [2,0,0,0,0,0|1,0,0]=3 3432 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [2,0,0,0,0,0|2,0,0]=4 3433 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [2,0,0,0,0,0|2,0,0]=4 3434 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [2,0,0,0,0,0|2,0,0]=4 3435 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [2,0,0,0,0,0|2,0,0]=4 3436 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [2,0,0,0,0,0|2,0,0]=4 3437 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [2,0,0,0,0,0|2,0,0]=4 3438 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [2,0,0,0,0,0|2,0,0]=4 3439 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [2,0,0,0,0,0|2,0,0]=4 3440 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [2,0,0,0,0,0|2,0,0]=4 3441 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [2,0,0,0,0,0|2,0,0]=4 3442 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [2,0,0,0,0,0|2,0,0]=4 3443 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [2,0,0,0,0,0|2,0,0]=4 3444 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [2,0,0,0,0,0|2,0,0]=4 3445 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [2,0,0,0,0,0|2,0,0]=4 3446 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [2,0,0,0,0,0|2,0,0]=4 3447 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [2,0,0,0,0,0|2,0,0]=4 3448 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [2,0,0,0,0,0|2,0,0]=4 3449 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [2,0,0,0,0,0|2,0,0]=4 3450 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [2,0,0,0,0,0|2,0,0]=4 3451 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [2,0,0,0,0,0|2,0,0]=4 3452 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [2,0,0,0,0,0|2,0,0]=4 3453 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [2,0,0,0,0,0|2,0,0]=4 3454 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [2,0,0,0,0,0|2,0,0]=4 3455 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [2,0,0,0,0,0|2,0,0]=4 3456 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [2,0,0,0,0,0|2,0,0]=4 3457 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [2,0,0,0,0,0|2,0,0]=4 3458 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [2,0,0,0,0,0|2,0,0]=4 3459 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [2,0,0,0,0,0|2,0,0]=4 3460 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [2,0,0,0,0,0|2,0,0]=4 3461 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [2,0,0,0,0,0|2,0,0]=4 3462 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [2,0,0,0,0,0|2,0,0]=4 3463 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [2,0,0,0,0,0|2,0,0]=4 3464 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [2,0,0,0,0,0|2,0,0]=4 3465 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [2,0,0,0,0,0|1,0,0]=3 3466 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [2,0,0,0,0,0|1,0,0]=3 3467 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [2,0,0,0,0,0|1,0,0]=3 3468 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [2,0,0,0,0,0|2,0,0]=4 3469 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [2,0,0,0,0,0|2,0,0]=4 3470 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [2,0,0,0,0,0|2,0,0]=4 3471 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [2,0,0,0,0,0|2,0,0]=4 3472 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [2,0,0,0,0,0|2,0,0]=4 3473 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [2,0,0,0,0,0|2,0,0]=4 3474 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [2,0,0,0,0,0|2,0,0]=4 3475 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [2,0,0,0,0,0|2,0,0]=4 3476 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [2,0,0,0,0,0|2,0,0]=4 3477 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [2,0,0,0,0,0|2,0,0]=4 3478 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [2,0,0,0,0,0|2,0,0]=4 3479 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [2,0,0,0,0,0|2,0,0]=4 3480 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [2,0,0,0,0,0|1,0,0]=3 3481 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [2,0,0,0,0,0|1,0,0]=3 3482 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [2,0,0,0,0,0|1,0,0]=3 3483 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [2,0,0,0,0,0|2,0,0]=4 3484 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [2,0,0,0,0,0|2,0,0]=4 3485 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [2,0,0,0,0,0|2,0,0]=4 3486 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [2,0,0,0,0,0|2,0,0]=4 3487 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [2,0,0,0,0,0|2,0,0]=4 3488 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [2,0,0,0,0,0|2,0,0]=4 3489 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [2,0,0,0,0,0|2,0,0]=4 3490 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [2,0,0,0,0,0|2,0,0]=4 3491 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [2,0,0,0,0,0|2,0,0]=4 3492 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [2,0,0,0,0,0|2,0,0]=4 3493 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [2,0,0,0,0,0|2,0,0]=4 3494 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [2,0,0,0,0,0|2,0,0]=4 3495 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [2,0,0,0,0,0|1,0,0]=3 3496 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [2,0,0,0,0,0|1,0,0]=3 3497 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [2,0,0,0,0,0|1,0,0]=3 3498 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [2,0,0,0,0,0|1,0,0]=3 3499 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [2,0,0,0,0,0|2,0,0]=4 3500 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [2,0,0,0,0,0|2,0,0]=4 3501 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [2,0,0,0,0,0|2,0,0]=4 3502 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [2,0,0,0,0,0|2,0,0]=4 3503 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [2,0,0,0,0,0|2,0,0]=4 3504 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [2,0,0,0,0,0|2,0,0]=4 3505 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [2,0,0,0,0,0|2,0,0]=4 3506 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [2,0,0,0,0,0|2,0,0]=4 3507 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [2,0,0,0,0,0|2,0,0]=4 3508 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [2,0,0,0,0,0|2,0,0]=4 3509 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [2,0,0,0,0,0|1,0,1]=4 3510 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [2,0,0,0,0,0|2,0,0]=4 3511 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [2,0,0,0,0,0|1,0,0]=3 3512 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [2,0,0,0,0,0|1,0,0]=3 3513 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [2,0,0,0,0,0|2,0,0]=4 3514 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [2,0,0,0,0,0|2,0,0]=4 3515 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [2,0,0,0,0,0|2,0,0]=4 3516 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [2,0,0,0,0,0|2,0,0]=4 3517 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [2,0,0,0,0,0|2,0,0]=4 3518 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [2,0,0,0,0,0|2,0,0]=4 3519 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [2,0,0,0,0,0|2,0,0]=4 3520 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [2,0,0,0,0,0|2,0,0]=4 3521 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [2,0,0,0,0,0|2,0,0]=4 3522 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [2,0,0,0,0,0|2,0,0]=4 3523 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [2,0,0,0,0,0|2,0,0]=4 3524 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [2,0,0,0,0,0|0,0,2]=4 3525 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [2,0,0,0,0,0|2,0,0]=4 3526 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [2,0,0,0,0,0|0,0,2]=4 3527 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [2,0,0,0,0,0|0,0,2]=4 3528 B13R1.17 CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210211 [2,0,0,0,0,0|2,0,0]=4 3529 B13R1.17 CCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210210 [2,0,0,0,0,0|2,0,0]=4 3530 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [2,0,0,0,0,0|1,0,1]=4 3531 B13R1.17 CCCNC(=O)c1ccc(cc1)O 240690a_100020643023_100000212099 [2,0,0,0,0,0|0,0,2]=4 3532 B13R1.17 CCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000152267 [2,0,0,0,0,0|0,0,2]=4 3533 B13R1.17 CCCNC(=O)c1ccc(cc1)O 527a_100020643023_100000212099 [2,0,0,0,0,0|0,0,2]=4 3534 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [2,0,0,0,0,0|2,0,0]=4 3535 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [2,0,0,0,0,0|2,0,0]=4 3536 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [2,0,0,0,0,0|2,0,0]=4 3537 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [2,0,0,0,0,0|2,0,0]=4 3538 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [2,0,0,0,0,0|2,0,0]=4 3539 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [2,0,0,0,0,0|2,0,0]=4 3540 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [2,0,0,0,0,0|2,0,0]=4 3541 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [2,0,0,0,0,0|2,0,0]=4 3542 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [2,0,0,0,0,0|1,0,0]=3 3543 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [2,0,0,0,0,0|2,0,0]=4 3544 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [2,0,0,0,0,0|2,0,0]=4 3545 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [2,0,0,0,0,0|2,0,0]=4 3546 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [2,0,0,0,0,0|2,0,0]=4 3547 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [2,0,0,0,0,0|2,0,0]=4 3548 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [2,0,0,0,0,0|1,0,0]=3 3549 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [2,0,0,0,0,0|1,0,0]=3 3550 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [2,0,0,0,0,0|1,0,0]=3 3551 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [2,0,0,0,0,0|1,0,0]=3 3552 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [2,0,0,0,0,0|1,0,0]=3 3553 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [2,0,0,0,0,0|1,0,0]=3 3554 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [2,0,0,0,0,0|1,0,0]=3 3555 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [2,0,0,0,0,0|1,0,0]=3 3556 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [2,0,0,0,0,0|0,0,0]=2 3557 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [2,0,0,0,0,0|1,0,0]=3 3558 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [2,0,0,0,0,0|2,0,0]=4 3559 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [2,0,0,0,0,0|2,0,0]=4 3560 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [2,0,0,0,0,0|2,0,0]=4 3561 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [2,0,0,0,0,0|2,0,0]=4 3562 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [2,0,0,0,0,0|2,0,0]=4 3563 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [2,0,0,0,0,0|2,0,0]=4 3564 B13R1.17 COCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000766300 [2,0,0,0,0,0|2,0,0]=4 3565 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218213 [2,0,0,0,0,0|2,0,0]=4 3566 B13R1.17 C[C@H](NCCF)c1ccc(cc1)O 2230a_100161106496_100011217306 [2,0,0,0,0,0|2,0,0]=4 3567 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [2,0,0,0,0,0|2,0,0]=4 3568 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [2,0,0,0,0,0|2,0,0]=4 3569 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [2,0,0,0,0,0|2,0,0]=4 3570 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [2,0,0,0,0,0|2,0,0]=4 3571 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [2,0,0,0,0,0|1,0,0]=3 3572 B13R1.24 C#CCNCC(O)c1ccccc1 2230a_100000210709_100000038162 [2,0,0,0,0,0|0,0,2]=4 3573 B13R1.24 C#CCNCC(O)c1ccccc1 34a_100000212058_100000185958 [2,0,0,0,0,0|0,0,2]=4 3574 B13R1.24 C#CCNC[C@@H](O)c1ccccc1 34a_100000212058_100011933945 [2,0,0,0,0,0|0,0,2]=4 3575 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [2,0,0,0,0,0|0,0,2]=4 3576 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [2,0,0,0,0,0|0,0,2]=4 3577 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [2,0,0,0,0,0|0,0,2]=4 3578 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [2,0,0,0,0,0|2,0,0]=4 3579 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [2,0,0,0,0,0|2,0,0]=4 3580 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [2,0,0,0,0,0|2,0,0]=4 3581 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [2,0,0,0,0,0|2,0,0]=4 3582 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [2,0,0,0,0,0|2,0,0]=4 3583 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [2,0,0,0,0,0|2,0,0]=4 3584 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [2,0,0,0,0,0|2,0,0]=4 3585 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [2,0,0,0,0,0|2,0,0]=4 3586 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [2,0,0,0,0,0|2,0,0]=4 3587 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [2,0,0,0,0,0|2,0,0]=4 3588 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [2,0,0,0,0,0|2,0,0]=4 3589 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [2,0,0,0,0,0|2,0,0]=4 3590 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [2,0,0,0,0,0|0,0,2]=4 3591 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [2,0,0,0,0,0|2,0,0]=4 3592 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 3593 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [2,0,0,0,0,0|2,0,0]=4 3594 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 3595 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [2,0,0,0,0,0|2,0,0]=4 3596 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 3597 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 3598 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 3599 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 3600 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 3601 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 3602 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [2,0,0,0,0,0|0,0,2]=4 3603 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [2,0,0,0,0,0|0,0,2]=4 3604 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [2,0,0,0,0,0|0,0,2]=4 3605 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [2,0,0,0,0,0|0,0,2]=4 3606 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [2,0,0,0,0,0|1,0,0]=3 3607 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [2,0,0,0,0,0|1,0,0]=3 3608 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [2,0,0,0,0,0|1,0,0]=3 3609 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [2,0,0,0,0,0|2,0,0]=4 3610 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [2,0,0,0,0,0|2,0,0]=4 3611 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [2,0,0,0,0,0|2,0,0]=4 3612 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [2,0,0,0,0,0|2,0,0]=4 3613 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [2,0,0,0,0,0|2,0,0]=4 3614 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [2,0,0,0,0,0|2,0,0]=4 3615 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [2,0,0,0,0,0|1,0,0]=3 3616 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [2,0,0,0,0,0|2,0,0]=4 3617 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [2,0,0,0,0,0|2,0,0]=4 3618 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [2,0,0,0,0,0|2,0,0]=4 3619 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [2,0,0,0,0,0|2,0,0]=4 3620 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [2,0,0,0,0,0|2,0,0]=4 3621 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [2,0,0,0,0,0|2,0,0]=4 3622 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [2,0,0,0,0,0|1,0,0]=3 3623 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [2,0,0,0,0,0|1,0,0]=3 3624 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [2,0,0,0,0,0|1,0,0]=3 3625 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [2,0,0,0,0,0|0,0,0]=2 3626 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [2,0,0,0,0,0|1,0,0]=3 3627 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [2,0,0,0,0,0|1,0,0]=3 3628 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [2,0,0,0,0,0|2,0,0]=4 3629 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [2,0,0,0,0,0|2,0,0]=4 3630 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [2,0,0,0,0,0|2,0,0]=4 3631 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [2,0,0,0,0,0|1,0,0]=3 3632 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [2,0,0,0,0,0|2,0,0]=4 3633 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [2,0,0,0,0,0|1,0,0]=3 3634 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [2,0,0,0,0,0|2,0,0]=4 3635 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [2,0,0,0,0,0|2,0,0]=4 3636 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [2,0,0,0,0,0|1,0,0]=3 3637 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [2,0,0,0,0,0|1,0,0]=3 3638 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [2,0,0,0,0,0|1,0,0]=3 3639 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [2,0,0,0,0,0|1,0,0]=3 3640 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [2,0,0,0,0,0|2,0,0]=4 3641 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [2,0,0,0,0,0|1,0,0]=3 3642 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [2,0,0,0,0,0|1,0,0]=3 3643 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [2,0,0,0,0,0|1,0,0]=3 3644 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [2,0,0,0,0,0|2,0,0]=4 3645 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [2,0,0,0,0,0|1,0,0]=3 3646 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [2,0,0,0,0,0|1,0,0]=3 3647 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [2,0,0,0,0,0|2,0,0]=4 3648 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [2,0,0,0,0,0|2,0,0]=4 3649 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [2,0,0,0,0,0|2,0,0]=4 3650 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [2,0,0,0,0,0|2,0,0]=4 3651 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [2,0,0,0,0,0|2,0,0]=4 3652 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [2,0,0,0,0,0|1,0,0]=3 3653 B13R1.24 COCNCC(O)c1ccccn1 2230a_100000691469_100000766300 [2,0,0,0,0,0|2,0,0]=4 3654 B13R1.24 COCNCC(O)c1cccnc1 2230a_100020605170_100000766300 [2,0,0,0,0,0|2,0,0]=4 3655 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [2,0,0,0,0,0|2,0,0]=4 3656 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [2,0,0,0,0,0|2,0,0]=4 3657 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [2,0,0,0,0,0|2,0,0]=4 3658 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [2,0,0,0,0,0|2,0,0]=4 3659 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [2,0,0,0,0,0|2,0,0]=4 3660 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [2,0,0,0,0,0|2,0,0]=4 3661 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [2,0,0,0,0,0|2,0,0]=4 3662 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [2,0,0,0,0,0|2,0,0]=4 3663 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [2,0,0,0,0,0|2,0,0]=4 3664 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [2,0,0,0,0,0|1,0,0]=3 3665 B13R1.24 CSCNCC(O)c1ccccn1 2230a_100000691469_100011218213 [2,0,0,0,0,0|2,0,0]=4 3666 B13R1.24 CSCNCC(O)c1cccnc1 2230a_100020605170_100011218213 [2,0,0,0,0,0|2,0,0]=4 3667 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [2,0,0,0,0,0|2,0,0]=4 3668 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [2,0,0,0,0,0|2,0,0]=4 3669 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [2,0,0,0,0,0|2,0,0]=4 3670 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [2,0,0,0,0,0|2,0,0]=4 3671 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [2,0,0,0,0,0|2,0,0]=4 3672 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [2,0,0,0,0,0|2,0,0]=4 3673 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [2,0,0,0,0,0|1,0,1]=4 3674 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [2,0,0,0,0,0|2,0,0]=4 3675 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [2,0,0,0,0,0|2,0,0]=4 3676 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [2,0,0,0,0,0|1,0,1]=4 3677 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [2,0,0,0,0,0|1,0,0]=3 3678 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [2,0,0,0,0,0|1,0,0]=3 3679 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [2,0,0,0,0,0|2,0,0]=4 3680 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [2,0,0,0,0,0|2,0,0]=4 3681 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [2,0,0,0,0,0|2,0,0]=4 3682 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [2,0,0,0,0,0|2,0,0]=4 3683 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [2,0,0,0,0,0|2,0,0]=4 3684 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [2,0,0,0,0,0|1,0,0]=3 3685 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [2,0,0,0,0,0|1,0,0]=3 3686 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [2,0,0,0,0,0|1,0,0]=3 3687 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [2,0,0,0,0,0|2,0,0]=4 3688 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [2,0,0,0,0,0|2,0,0]=4 3689 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [2,0,0,0,0,0|1,0,0]=3 3690 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [2,0,0,0,0,0|1,0,0]=3 3691 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [2,0,0,0,0,0|2,0,0]=4 3692 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [2,0,0,0,0,0|2,0,0]=4 3693 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [2,0,0,0,0,0|2,0,0]=4 3694 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [2,0,0,0,0,0|2,0,0]=4 3695 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [2,0,0,0,0,0|2,0,0]=4 3696 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [2,0,0,0,0,0|2,0,0]=4 3697 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [2,0,0,0,0,0|1,0,0]=3 3698 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [2,0,0,0,0,0|2,0,0]=4 3699 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [2,0,0,0,0,0|2,0,0]=4 3700 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [2,0,0,0,0,0|2,0,0]=4 3701 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [2,0,0,0,0,0|2,0,0]=4 3702 B15R1.11 CC(CCO)NCCc1ccc(cc1)Br 2230a_100000755846_100009893172 [1,1,0,0,0,0|2,0,0]=4 3703 B15R1.11 CC(CCO)NCCc1ccc(cc1)Br 34a_100000755846_100009893172 [1,1,0,0,0,0|2,0,0]=4 3704 B15R1.11 CC(CCO)NCCc1ccc(cc1)Cl 2230a_100000185265_100009893172 [1,1,0,0,0,0|2,0,0]=4 3705 B15R1.11 CC(CCO)NCCc1ccc(cc1)Cl 34a_100000185265_100009893172 [1,1,0,0,0,0|2,0,0]=4 3706 B15R1.11 CC(CCO)NCCc1ccc(cc1)F 2230a_100000199005_100009893172 [1,1,0,0,0,0|2,0,0]=4 3707 B15R1.11 CC(CCO)NCCc1ccc(cc1)F 34a_100000199005_100009893172 [1,1,0,0,0,0|2,0,0]=4 3708 B15R1.11 CC(CCO)NCCc1ccc(cc1)O 34a_100000743037_100009893172 [1,1,0,0,0,0|1,0,0]=3 3709 B15R1.11 CC(CCO)SCCc1ccc(cc1)O 62a_100009816426_100009893172 [1,1,0,0,0,0|2,0,0]=4 3710 B15R1.11 CC(CCO)SCCc1ccc(cc1)O 62a_100009893172_100009816426 [1,1,0,0,0,0|2,0,0]=4 3711 B15R1.11 CCCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000210303 [1,1,0,0,0,0|1,0,1]=4 3712 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100000211992 [1,1,0,0,0,0|1,0,1]=4 3713 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100000211992 [1,1,0,0,0,0|1,0,1]=4 3714 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100000211992 [1,1,0,0,0,0|1,0,1]=4 3715 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100000211992 [1,1,0,0,0,0|1,0,1]=4 3716 B15R1.11 CCCC(=O)NCCc1ccc(cc1)C 11a_100000705350_100000211992 [1,1,0,0,0,0|1,0,1]=4 3717 B15R1.11 CCCC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100000211992 [1,1,0,0,0,0|1,0,1]=4 3718 B15R1.11 CCCC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100000211992 [1,1,0,0,0,0|1,0,1]=4 3719 B15R1.11 CCCC(=O)NCCc1ccc(cc1)C 527a_100000705350_100000211992 [1,1,0,0,0,0|1,0,1]=4 3720 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100000211992 [1,1,0,0,0,0|1,0,1]=4 3721 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100000211992 [1,1,0,0,0,0|1,0,1]=4 3722 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100000211992 [1,1,0,0,0,0|1,0,1]=4 3723 B15R1.11 CCCC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100000211992 [1,1,0,0,0,0|1,0,1]=4 3724 B15R1.11 CCCC(=O)NCCc1ccc(cc1)F 11a_100000199005_100000211992 [1,1,0,0,0,0|1,0,1]=4 3725 B15R1.11 CCCC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100000211992 [1,1,0,0,0,0|1,0,1]=4 3726 B15R1.11 CCCC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100000211992 [1,1,0,0,0,0|1,0,1]=4 3727 B15R1.11 CCCC(=O)NCCc1ccc(cc1)F 527a_100000199005_100000211992 [1,1,0,0,0,0|1,0,1]=4 3728 B15R1.11 CCCC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100000211992 [1,1,0,0,0,0|0,0,1]=3 3729 B15R1.11 CCCC(=O)NCCc1ccc(cc1)O 527a_100000743037_100000211992 [1,1,0,0,0,0|0,0,1]=3 3730 B15R1.11 CCCC(C)CNCc1ccc(cc1)O 34a_100000185549_100011216630 [1,1,0,0,0,0|2,0,0]=4 3731 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 2230a_100000741246_100011740612 [1,1,0,0,0,0|1,0,0]=3 3732 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000766640 [1,1,0,0,0,0|1,0,0]=3 3733 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000211909 [1,1,0,0,0,0|1,0,0]=3 3734 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000766640 [1,1,0,0,0,0|1,0,0]=3 3735 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 2230a_100000705350_100000766640 [1,1,0,0,0,0|1,0,0]=3 3736 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 2230a_100000741246_100011713686 [1,1,0,0,0,0|1,0,0]=3 3737 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000211909 [1,1,0,0,0,0|1,0,0]=3 3738 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 34a_100000705350_100000766640 [1,1,0,0,0,0|1,0,0]=3 3739 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000766640 [1,1,0,0,0,0|1,0,0]=3 3740 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 2230a_100000741246_100011713675 [1,1,0,0,0,0|1,0,0]=3 3741 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000211909 [1,1,0,0,0,0|1,0,0]=3 3742 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000766640 [1,1,0,0,0,0|1,0,0]=3 3743 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000766640 [1,1,0,0,0,0|1,0,0]=3 3744 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 2230a_100000741246_100011217392 [1,1,0,0,0,0|1,0,0]=3 3745 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000211909 [1,1,0,0,0,0|1,0,0]=3 3746 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 34a_100000199005_100000766640 [1,1,0,0,0,0|1,0,0]=3 3747 B15R1.11 CCCC(C)NCCc1ccc(cc1)O 2230a_100000741246_100009816426 [1,1,0,0,0,0|0,0,0]=2 3748 B15R1.11 CCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000211909 [1,1,0,0,0,0|0,0,0]=2 3749 B15R1.11 CCCC(C)NCCc1ccc(cc1)O 34a_100000743037_100000766640 [1,1,0,0,0,0|0,0,0]=2 3750 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 34a_100000764384_100011740612 [1,1,0,0,0,0|2,0,0]=4 3751 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000766640 [1,1,0,0,0,0|2,0,0]=4 3752 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 7a_100000764384_100011740612 [1,1,0,0,0,0|2,0,0]=4 3753 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000766640 [1,1,0,0,0,0|2,0,0]=4 3754 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 34a_100000756670_100000766640 [1,1,0,0,0,0|2,0,0]=4 3755 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 34a_100000764384_100011713686 [1,1,0,0,0,0|2,0,0]=4 3756 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 7a_100000756670_100000766640 [1,1,0,0,0,0|2,0,0]=4 3757 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 7a_100000764384_100011713686 [1,1,0,0,0,0|2,0,0]=4 3758 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 34a_100000764384_100011713675 [1,1,0,0,0,0|2,0,0]=4 3759 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000766640 [1,1,0,0,0,0|2,0,0]=4 3760 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 7a_100000764384_100011713675 [1,1,0,0,0,0|2,0,0]=4 3761 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000766640 [1,1,0,0,0,0|2,0,0]=4 3762 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 34a_100000754732_100000766640 [1,1,0,0,0,0|2,0,0]=4 3763 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 34a_100000764384_100011217392 [1,1,0,0,0,0|2,0,0]=4 3764 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 7a_100000754732_100000766640 [1,1,0,0,0,0|2,0,0]=4 3765 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 7a_100000764384_100011217392 [1,1,0,0,0,0|2,0,0]=4 3766 B15R1.11 CCCC(C)OCCc1ccc(cc1)I 34a_100012291149_100000766640 [1,1,0,0,0,0|2,0,0]=4 3767 B15R1.11 CCCC(C)OCCc1ccc(cc1)I 7a_100012291149_100000766640 [1,1,0,0,0,0|2,0,0]=4 3768 B15R1.11 CCCC(C)OCCc1ccc(cc1)N 34a_100011204434_100000766640 [1,1,0,0,0,0|2,0,0]=4 3769 B15R1.11 CCCC(C)OCCc1ccc(cc1)O 7a_100000764384_100009816426 [1,1,0,0,0,0|1,0,0]=3 3770 B15R1.11 CCCC(C)SCCc1ccc(cc1)Br 62a_100000766640_100011740612 [1,1,0,0,0,0|2,0,0]=4 3771 B15R1.11 CCCC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000766640 [1,1,0,0,0,0|2,0,0]=4 3772 B15R1.11 CCCC(C)SCCc1ccc(cc1)C 62a_100000766640_100011713686 [1,1,0,0,0,0|2,0,0]=4 3773 B15R1.11 CCCC(C)SCCc1ccc(cc1)C 62a_100011713686_100000766640 [1,1,0,0,0,0|2,0,0]=4 3774 B15R1.11 CCCC(C)SCCc1ccc(cc1)Cl 62a_100000766640_100011713675 [1,1,0,0,0,0|2,0,0]=4 3775 B15R1.11 CCCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000766640 [1,1,0,0,0,0|2,0,0]=4 3776 B15R1.11 CCCC(C)SCCc1ccc(cc1)F 62a_100000766640_100011217392 [1,1,0,0,0,0|2,0,0]=4 3777 B15R1.11 CCCC(C)SCCc1ccc(cc1)F 62a_100011217392_100000766640 [1,1,0,0,0,0|2,0,0]=4 3778 B15R1.11 CCCC(C)SCCc1ccc(cc1)O 62a_100000766640_100009816426 [1,1,0,0,0,0|1,0,0]=3 3779 B15R1.11 CCCC(C)SCCc1ccc(cc1)O 62a_100009816426_100000766640 [1,1,0,0,0,0|1,0,0]=3 3780 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O 2708a_100000743037_100015525214 [1,1,0,0,0,0|1,0,1]=4 3781 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O 2708a_100015525214_100000743037 [1,1,0,0,0,0|1,0,1]=4 3782 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O 273464a_100000743037_100015525214 [1,1,0,0,0,0|1,0,1]=4 3783 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O 273464a_100015525214_100000743037 [1,1,0,0,0,0|1,0,1]=4 3784 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O 512a_100015525214_100000743037 [1,1,0,0,0,0|1,0,1]=4 3785 B15R1.11 COCC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100000210968 [1,1,0,0,0,0|1,0,1]=4 3786 B15R1.11 COCC(=O)NCCc1ccc(cc1)O 527a_100000743037_100000210968 [1,1,0,0,0,0|1,0,1]=4 3787 B15R1.11 COCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000765312 [1,1,0,0,0,0|2,0,0]=4 3788 B15R1.11 COCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000749346 [1,1,0,0,0,0|2,0,0]=4 3789 B15R1.11 COCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000765312 [1,1,0,0,0,0|2,0,0]=4 3790 B15R1.11 COCC(C)NCCc1ccc(cc1)C 2230a_100000705350_100000765312 [1,1,0,0,0,0|2,0,0]=4 3791 B15R1.11 COCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000749346 [1,1,0,0,0,0|2,0,0]=4 3792 B15R1.11 COCC(C)NCCc1ccc(cc1)C 34a_100000705350_100000765312 [1,1,0,0,0,0|2,0,0]=4 3793 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000765312 [1,1,0,0,0,0|2,0,0]=4 3794 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000749346 [1,1,0,0,0,0|2,0,0]=4 3795 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000765312 [1,1,0,0,0,0|2,0,0]=4 3796 B15R1.11 COCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000765312 [1,1,0,0,0,0|2,0,0]=4 3797 B15R1.11 COCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000749346 [1,1,0,0,0,0|2,0,0]=4 3798 B15R1.11 COCC(C)NCCc1ccc(cc1)F 34a_100000199005_100000765312 [1,1,0,0,0,0|2,0,0]=4 3799 B15R1.11 COCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000749346 [1,1,0,0,0,0|1,0,0]=3 3800 B15R1.11 COCC(C)NCCc1ccc(cc1)O 34a_100000743037_100000765312 [1,1,0,0,0,0|1,0,0]=3 3801 B15R1.11 COCC(C)SCCc1ccc(cc1)O 62a_100000765312_100009816426 [1,1,0,0,0,0|2,0,0]=4 3802 B15R1.11 COCC(C)SCCc1ccc(cc1)O 62a_100009816426_100000765312 [1,1,0,0,0,0|2,0,0]=4 3803 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)Br 2230a_100000764878_100011740612 [1,1,0,0,0,0|2,0,0]=4 3804 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)C 2230a_100000764878_100011713686 [1,1,0,0,0,0|2,0,0]=4 3805 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)Cl 2230a_100000764878_100011713675 [1,1,0,0,0,0|2,0,0]=4 3806 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)F 2230a_100000764878_100011217392 [1,1,0,0,0,0|2,0,0]=4 3807 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)O 2230a_100000764878_100009816426 [1,1,0,0,0,0|1,0,0]=3 3808 B15R1.11 CSCC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100000184570 [1,1,0,0,0,0|1,0,1]=4 3809 B15R1.11 CSCC(=O)NCCc1ccc(cc1)O 527a_100000743037_100000184570 [1,1,0,0,0,0|1,0,1]=4 3810 B15R1.11 CSCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011216314 [1,1,0,0,0,0|2,0,0]=4 3811 B15R1.11 CSCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011216314 [1,1,0,0,0,0|2,0,0]=4 3812 B15R1.11 CSCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011216314 [1,1,0,0,0,0|2,0,0]=4 3813 B15R1.11 CSCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011216314 [1,1,0,0,0,0|2,0,0]=4 3814 B15R1.11 CSCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011216314 [1,1,0,0,0,0|1,0,0]=3 3815 B15R1.11 C[C@@H](CC#N)NCCc1ccc(cc1)O 2230a_100016994482_100009816426 [1,1,0,0,0,0|1,0,1]=4 3816 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Br 2230a_100000706166_100011740612 [1,1,0,0,0,0|2,0,0]=4 3817 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Br 34a_100000706166_100011740612 [1,1,0,0,0,0|2,0,0]=4 3818 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Cl 2230a_100000706166_100011713675 [1,1,0,0,0,0|2,0,0]=4 3819 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Cl 34a_100000706166_100011713675 [1,1,0,0,0,0|2,0,0]=4 3820 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)F 2230a_100000706166_100011217392 [1,1,0,0,0,0|2,0,0]=4 3821 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)F 34a_100000706166_100011217392 [1,1,0,0,0,0|2,0,0]=4 3822 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)O 2230a_100000706166_100009816426 [1,1,0,0,0,0|1,0,0]=3 3823 B15R1.11 Cc1ccc(cc1)CCNC(C)CCO 2230a_100000705350_100009893172 [1,1,0,0,0,0|2,0,0]=4 3824 B15R1.11 Cc1ccc(cc1)CCNC(C)CCO 34a_100000705350_100009893172 [1,1,0,0,0,0|2,0,0]=4 3825 B15R1.11 Cc1ccc(cc1)CCN[C@H](C)CCO 2230a_100000706166_100011713686 [1,1,0,0,0,0|2,0,0]=4 3826 B15R1.11 Cc1ccc(cc1)CCN[C@H](C)CCO 34a_100000706166_100011713686 [1,1,0,0,0,0|2,0,0]=4 3827 B15R1.11 O=C(CCO)NCCc1ccc(cc1)O 240690a_100000743037_100011216618 [1,1,0,0,0,0|1,0,1]=4 3828 B15R1.12 BrCCCCOCCc1ccc(cc1)Br 34a_100011216708_100011740612 [1,1,0,0,0,0|2,0,0]=4 3829 B15R1.12 Brc1ccc(cc1)CCOCCCCI 34a_200012148704_100011740612 [1,1,0,0,0,0|2,0,0]=4 3830 B15R1.12 C#CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000731252 [1,1,0,0,0,0|1,0,1]=4 3831 B15R1.12 C#CCCCNCCc1ccc(cc1)Br 34a_100000718082_100011740612 [1,1,0,0,0,0|1,0,1]=4 3832 B15R1.12 C#CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000695029 [1,1,0,0,0,0|1,0,1]=4 3833 B15R1.12 C#CCCCNCCc1ccc(cc1)C 2230a_100000705350_100000731252 [1,1,0,0,0,0|1,0,1]=4 3834 B15R1.12 C#CCCCNCCc1ccc(cc1)C 34a_100000705350_100000695029 [1,1,0,0,0,0|1,0,1]=4 3835 B15R1.12 C#CCCCNCCc1ccc(cc1)C 34a_100000718082_100011713686 [1,1,0,0,0,0|1,0,1]=4 3836 B15R1.12 C#CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000731252 [1,1,0,0,0,0|1,0,1]=4 3837 B15R1.12 C#CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000695029 [1,1,0,0,0,0|1,0,1]=4 3838 B15R1.12 C#CCCCNCCc1ccc(cc1)Cl 34a_100000718082_100011713675 [1,1,0,0,0,0|1,0,1]=4 3839 B15R1.12 C#CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000731252 [1,1,0,0,0,0|1,0,1]=4 3840 B15R1.12 C#CCCCNCCc1ccc(cc1)F 34a_100000199005_100000695029 [1,1,0,0,0,0|1,0,1]=4 3841 B15R1.12 C#CCCCNCCc1ccc(cc1)F 34a_100000718082_100011217392 [1,1,0,0,0,0|1,0,1]=4 3842 B15R1.12 C#CCCCNCCc1ccc(cc1)O 34a_100000743037_100000695029 [1,1,0,0,0,0|0,0,1]=3 3843 B15R1.12 C#CCCCOCCc1ccc(cc1)O 7a_100000215630_100009816426 [1,1,0,0,0,0|1,0,1]=4 3844 B15R1.12 C#CCCCSCCc1ccc(cc1)O 62a_100009816426_100011215417 [1,1,0,0,0,0|1,0,1]=4 3845 B15R1.12 C#CCCCSCCc1ccc(cc1)O 62a_100011215417_100009816426 [1,1,0,0,0,0|1,0,1]=4 3846 B15R1.12 C=CCCCNCCc1ccc(cc1)Br 2230a_100000700776_100011740612 [1,1,0,0,0,0|1,0,1]=4 3847 B15R1.12 C=CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100011713584 [1,1,0,0,0,0|1,0,1]=4 3848 B15R1.12 C=CCCCNCCc1ccc(cc1)Br 34a_100000700776_100011740612 [1,1,0,0,0,0|1,0,1]=4 3849 B15R1.12 C=CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000757094 [1,1,0,0,0,0|1,0,1]=4 3850 B15R1.12 C=CCCCNCCc1ccc(cc1)C 2230a_100000700776_100011713686 [1,1,0,0,0,0|1,0,1]=4 3851 B15R1.12 C=CCCCNCCc1ccc(cc1)C 2230a_100000705350_100011713584 [1,1,0,0,0,0|1,0,1]=4 3852 B15R1.12 C=CCCCNCCc1ccc(cc1)C 34a_100000700776_100011713686 [1,1,0,0,0,0|1,0,1]=4 3853 B15R1.12 C=CCCCNCCc1ccc(cc1)C 34a_100000705350_100000757094 [1,1,0,0,0,0|1,0,1]=4 3854 B15R1.12 C=CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011713584 [1,1,0,0,0,0|1,0,1]=4 3855 B15R1.12 C=CCCCNCCc1ccc(cc1)Cl 2230a_100000700776_100011713675 [1,1,0,0,0,0|1,0,1]=4 3856 B15R1.12 C=CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000757094 [1,1,0,0,0,0|1,0,1]=4 3857 B15R1.12 C=CCCCNCCc1ccc(cc1)Cl 34a_100000700776_100011713675 [1,1,0,0,0,0|1,0,1]=4 3858 B15R1.12 C=CCCCNCCc1ccc(cc1)F 2230a_100000199005_100011713584 [1,1,0,0,0,0|1,0,1]=4 3859 B15R1.12 C=CCCCNCCc1ccc(cc1)F 2230a_100000700776_100011217392 [1,1,0,0,0,0|1,0,1]=4 3860 B15R1.12 C=CCCCNCCc1ccc(cc1)F 34a_100000199005_100000757094 [1,1,0,0,0,0|1,0,1]=4 3861 B15R1.12 C=CCCCNCCc1ccc(cc1)F 34a_100000700776_100011217392 [1,1,0,0,0,0|1,0,1]=4 3862 B15R1.12 C=CCCCNCCc1ccc(cc1)O 2230a_100000700776_100009816426 [1,1,0,0,0,0|0,0,1]=3 3863 B15R1.12 C=CCCCNCCc1ccc(cc1)O 34a_100000743037_100000757094 [1,1,0,0,0,0|0,0,1]=3 3864 B15R1.12 C=CCCCOCCc1ccc(cc1)O 7a_100000758997_100009816426 [1,1,0,0,0,0|1,0,1]=4 3865 B15R1.12 C=CCCCSCCc1ccc(cc1)O 62a_100009816426_100000757094 [1,1,0,0,0,0|1,0,1]=4 3866 B15R1.12 C=CCCCSCCc1ccc(cc1)O 62a_100011713584_100009816426 [1,1,0,0,0,0|1,0,1]=4 3867 B15R1.12 C=COCCNCCc1ccc(cc1)O 34a_100000743037_100000039644 [1,1,0,0,0,0|0,0,2]=4 3868 B15R1.12 CC/C=C\CNCCc1ccc(cc1)Br 2230a_100000755846_100103147603 [1,1,0,0,0,0|1,0,1]=4 3869 B15R1.12 CC/C=C\CNCCc1ccc(cc1)Br 34a_100000755846_100103147603 [1,1,0,0,0,0|1,0,1]=4 3870 B15R1.12 CC/C=C\CNCCc1ccc(cc1)C 2230a_100000705350_100103147603 [1,1,0,0,0,0|1,0,1]=4 3871 B15R1.12 CC/C=C\CNCCc1ccc(cc1)C 34a_100000705350_100103147603 [1,1,0,0,0,0|1,0,1]=4 3872 B15R1.12 CC/C=C\CNCCc1ccc(cc1)Cl 2230a_100000185265_100103147603 [1,1,0,0,0,0|1,0,1]=4 3873 B15R1.12 CC/C=C\CNCCc1ccc(cc1)Cl 34a_100000185265_100103147603 [1,1,0,0,0,0|1,0,1]=4 3874 B15R1.12 CC/C=C\CNCCc1ccc(cc1)F 2230a_100000199005_100103147603 [1,1,0,0,0,0|1,0,1]=4 3875 B15R1.12 CC/C=C\CNCCc1ccc(cc1)F 34a_100000199005_100103147603 [1,1,0,0,0,0|1,0,1]=4 3876 B15R1.12 CC/C=C\CNCCc1ccc(cc1)O 34a_100000743037_100103147603 [1,1,0,0,0,0|0,0,1]=3 3877 B15R1.12 CC/C=C\CSCCc1ccc(cc1)O 62a_100009816426_100103147603 [1,1,0,0,0,0|1,0,1]=4 3878 B15R1.12 CC/C=C\CSCCc1ccc(cc1)O 62a_100103147603_100009816426 [1,1,0,0,0,0|1,0,1]=4 3879 B15R1.12 CCC#CCNCCc1ccc(cc1)Br 2230a_100000755846_100009813939 [1,1,0,0,0,0|1,0,1]=4 3880 B15R1.12 CCC#CCNCCc1ccc(cc1)Br 34a_100000755846_100009813939 [1,1,0,0,0,0|1,0,1]=4 3881 B15R1.12 CCC#CCNCCc1ccc(cc1)C 2230a_100000705350_100009813939 [1,1,0,0,0,0|1,0,1]=4 3882 B15R1.12 CCC#CCNCCc1ccc(cc1)C 34a_100000705350_100009813939 [1,1,0,0,0,0|1,0,1]=4 3883 B15R1.12 CCC#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100009813939 [1,1,0,0,0,0|1,0,1]=4 3884 B15R1.12 CCC#CCNCCc1ccc(cc1)Cl 34a_100000185265_100009813939 [1,1,0,0,0,0|1,0,1]=4 3885 B15R1.12 CCC#CCNCCc1ccc(cc1)F 2230a_100000199005_100009813939 [1,1,0,0,0,0|1,0,1]=4 3886 B15R1.12 CCC#CCNCCc1ccc(cc1)F 34a_100000199005_100009813939 [1,1,0,0,0,0|1,0,1]=4 3887 B15R1.12 CCC#CCNCCc1ccc(cc1)O 34a_100000743037_100009813939 [1,1,0,0,0,0|0,0,1]=3 3888 B15R1.12 CCC#CCSCCc1ccc(cc1)O 62a_100009813939_100009816426 [1,1,0,0,0,0|1,0,1]=4 3889 B15R1.12 CCC#CCSCCc1ccc(cc1)O 62a_100009816426_100009813939 [1,1,0,0,0,0|1,0,1]=4 3890 B15R1.12 CCCCCCC=Cc1ccc(cc1)O 271570a_200015348155_100000185759 [1,1,0,0,0,0|1,0,1]=4 3891 B15R1.12 CCCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813488 [1,1,0,0,0,0|1,0,0]=3 3892 B15R1.12 CCCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210681 [1,1,0,0,0,0|2,0,0]=4 3893 B15R1.12 CCCCCCCNc1ccc(cc1)Br 34a_100000210018_100000210614 [1,1,0,0,0,0|2,0,0]=4 3894 B15R1.12 CCCCCCCNc1ccc(cc1)C 34a_100000124888_100000210614 [1,1,0,0,0,0|2,0,0]=4 3895 B15R1.12 CCCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210681 [1,1,0,0,0,0|2,0,0]=4 3896 B15R1.12 CCCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000210614 [1,1,0,0,0,0|2,0,0]=4 3897 B15R1.12 CCCCCCCNc1ccc(cc1)F 34a_100000185862_100000210614 [1,1,0,0,0,0|2,0,0]=4 3898 B15R1.12 CCCCCCCNc1ccc(cc1)I 34a_100000185761_100000210614 [1,1,0,0,0,0|2,0,0]=4 3899 B15R1.12 CCCCCCCNc1ccc(cc1)O 34a_100000185829_100000210614 [1,1,0,0,0,0|1,0,0]=3 3900 B15R1.12 CCCCCCCOc1ccc(cc1)Br 34a_100000185759_100000210614 [1,1,0,0,0,0|2,0,0]=4 3901 B15R1.12 CCCCCCCOc1ccc(cc1)Br 7a_100000185759_100000210614 [1,1,0,0,0,0|2,0,0]=4 3902 B15R1.12 CCCCCCCOc1ccc(cc1)C 34a_100000210336_100000210614 [1,1,0,0,0,0|2,0,0]=4 3903 B15R1.12 CCCCCCCOc1ccc(cc1)C 7a_100000210336_100000210614 [1,1,0,0,0,0|2,0,0]=4 3904 B15R1.12 CCCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000210614 [1,1,0,0,0,0|2,0,0]=4 3905 B15R1.12 CCCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210614 [1,1,0,0,0,0|2,0,0]=4 3906 B15R1.12 CCCCCCCOc1ccc(cc1)F 34a_100000210339_100000210614 [1,1,0,0,0,0|2,0,0]=4 3907 B15R1.12 CCCCCCCOc1ccc(cc1)I 34a_100000212066_100000210614 [1,1,0,0,0,0|2,0,0]=4 3908 B15R1.12 CCCCCCCOc1ccc(cc1)I 7a_100000212066_100000210614 [1,1,0,0,0,0|2,0,0]=4 3909 B15R1.12 CCCCCCCOc1ccc(cc1)N 34a_100000185829_100000210614 [1,1,0,0,0,0|2,0,0]=4 3910 B15R1.12 CCCCCCCSc1ccc(cc1)F 62a_100000210614_100000211213 [1,1,0,0,0,0|2,0,0]=4 3911 B15R1.12 CCCCCCCSc1ccc(cc1)F 62a_100000211213_100000210316 [1,1,0,0,0,0|2,0,0]=4 3912 B15R1.12 CCCCCCCSc1ccc(cc1)N 62a_100000185761_100000210316 [1,1,0,0,0,0|2,0,0]=4 3913 B15R1.12 CCCCCCCSc1ccc(cc1)N 62a_100000210614_100000185761 [1,1,0,0,0,0|2,0,0]=4 3914 B15R1.12 CCCCCCCSc1ccc(cc1)O 62a_100000210614_100000185759 [1,1,0,0,0,0|1,0,0]=3 3915 B15R1.12 CCCCCCCSc1ccc(cn1)O 62a_100000210614_100000744096 [1,1,0,0,0,0|2,0,0]=4 3916 B15R1.12 CCCCCCCSc1ccc(cn1)O 62a_100000685995_100000210316 [1,1,0,0,0,0|2,0,0]=4 3917 B15R1.12 CCCCCCNCc1ccc(cc1)Br 207a_100000210581_100000186029 [1,1,0,0,0,0|2,0,0]=4 3918 B15R1.12 CCCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210314 [1,1,0,0,0,0|2,0,0]=4 3919 B15R1.12 CCCCCCNCc1ccc(cc1)Br 2230a_100000210581_100011217064 [1,1,0,0,0,0|2,0,0]=4 3920 B15R1.12 CCCCCCNCc1ccc(cc1)Br 270004a_100000210581_100000186029 [1,1,0,0,0,0|2,0,0]=4 3921 B15R1.12 CCCCCCNCc1ccc(cc1)Br 34a_100000174875_100000210314 [1,1,0,0,0,0|2,0,0]=4 3922 B15R1.12 CCCCCCNCc1ccc(cc1)C 207a_100000210581_100000211033 [1,1,0,0,0,0|2,0,0]=4 3923 B15R1.12 CCCCCCNCc1ccc(cc1)C 2230a_100000174908_100000210314 [1,1,0,0,0,0|2,0,0]=4 3924 B15R1.12 CCCCCCNCc1ccc(cc1)C 2230a_100000210581_100000210814 [1,1,0,0,0,0|2,0,0]=4 3925 B15R1.12 CCCCCCNCc1ccc(cc1)C 270004a_100000210581_100000211033 [1,1,0,0,0,0|2,0,0]=4 3926 B15R1.12 CCCCCCNCc1ccc(cc1)C 34a_100000174908_100000210314 [1,1,0,0,0,0|2,0,0]=4 3927 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 207a_100000210581_100000189385 [1,1,0,0,0,0|2,0,0]=4 3928 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210314 [1,1,0,0,0,0|2,0,0]=4 3929 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 2230a_100000210581_100000694040 [1,1,0,0,0,0|2,0,0]=4 3930 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 270004a_100000210581_100000189385 [1,1,0,0,0,0|2,0,0]=4 3931 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210314 [1,1,0,0,0,0|2,0,0]=4 3932 B15R1.12 CCCCCCNCc1ccc(cc1)F 207a_100000210581_100000210084 [1,1,0,0,0,0|2,0,0]=4 3933 B15R1.12 CCCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210314 [1,1,0,0,0,0|2,0,0]=4 3934 B15R1.12 CCCCCCNCc1ccc(cc1)F 2230a_100000210581_100000198546 [1,1,0,0,0,0|2,0,0]=4 3935 B15R1.12 CCCCCCNCc1ccc(cc1)F 270004a_100000210581_100000210084 [1,1,0,0,0,0|2,0,0]=4 3936 B15R1.12 CCCCCCNCc1ccc(cc1)F 34a_100000174882_100000210314 [1,1,0,0,0,0|2,0,0]=4 3937 B15R1.12 CCCCCCNCc1ccc(cc1)I 207a_100000210581_100000188517 [1,1,0,0,0,0|2,0,0]=4 3938 B15R1.12 CCCCCCNCc1ccc(cc1)I 2230a_100000210581_100000189116 [1,1,0,0,0,0|2,0,0]=4 3939 B15R1.12 CCCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210314 [1,1,0,0,0,0|2,0,0]=4 3940 B15R1.12 CCCCCCNCc1ccc(cc1)I 34a_100016989417_100000210314 [1,1,0,0,0,0|2,0,0]=4 3941 B15R1.12 CCCCCCNCc1ccc(cc1)O 34a_100000185549_100000210314 [1,1,0,0,0,0|1,0,0]=3 3942 B15R1.12 CCCCCCNCc1ccc(nc1)O 207a_100000210581_100011361521 [1,1,0,0,0,0|2,0,0]=4 3943 B15R1.12 CCCCCCNCc1ccc(nc1)O 2230a_100000757128_100000210314 [1,1,0,0,0,0|2,0,0]=4 3944 B15R1.12 CCCCCCOCc1ccc(cc1)Br 34a_100000210259_100000189115 [1,1,0,0,0,0|2,0,0]=4 3945 B15R1.12 CCCCCCOCc1ccc(cc1)Br 34a_100000695286_100000210314 [1,1,0,0,0,0|2,0,0]=4 3946 B15R1.12 CCCCCCOCc1ccc(cc1)Br 7a_100000210259_100011217064 [1,1,0,0,0,0|2,0,0]=4 3947 B15R1.12 CCCCCCOCc1ccc(cc1)C 34a_100000210259_100000210814 [1,1,0,0,0,0|2,0,0]=4 3948 B15R1.12 CCCCCCOCc1ccc(cc1)C 34a_100011215236_100000210314 [1,1,0,0,0,0|2,0,0]=4 3949 B15R1.12 CCCCCCOCc1ccc(cc1)C 7a_100000210259_100000210814 [1,1,0,0,0,0|2,0,0]=4 3950 B15R1.12 CCCCCCOCc1ccc(cc1)C 7a_100011215236_100000210314 [1,1,0,0,0,0|2,0,0]=4 3951 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 34a_100000210259_100000694040 [1,1,0,0,0,0|2,0,0]=4 3952 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210314 [1,1,0,0,0,0|2,0,0]=4 3953 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 7a_100000210259_100000187161 [1,1,0,0,0,0|2,0,0]=4 3954 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210314 [1,1,0,0,0,0|2,0,0]=4 3955 B15R1.12 CCCCCCOCc1ccc(cc1)F 34a_100000210259_100000198546 [1,1,0,0,0,0|2,0,0]=4 3956 B15R1.12 CCCCCCOCc1ccc(cc1)F 34a_100000210977_100000210314 [1,1,0,0,0,0|2,0,0]=4 3957 B15R1.12 CCCCCCOCc1ccc(cc1)F 7a_100000210259_100000198546 [1,1,0,0,0,0|2,0,0]=4 3958 B15R1.12 CCCCCCOCc1ccc(cc1)F 7a_100000210977_100000210314 [1,1,0,0,0,0|2,0,0]=4 3959 B15R1.12 CCCCCCOCc1ccc(cc1)I 34a_100000210259_100000189116 [1,1,0,0,0,0|2,0,0]=4 3960 B15R1.12 CCCCCCOCc1ccc(cc1)I 34a_100000690907_100000210314 [1,1,0,0,0,0|2,0,0]=4 3961 B15R1.12 CCCCCCOCc1ccc(cc1)I 7a_100000210259_100000189116 [1,1,0,0,0,0|2,0,0]=4 3962 B15R1.12 CCCCCCOCc1ccc(cc1)I 7a_100000690907_100000210314 [1,1,0,0,0,0|2,0,0]=4 3963 B15R1.12 CCCCCCOCc1ccc(cc1)N 34a_100011215238_100000210314 [1,1,0,0,0,0|2,0,0]=4 3964 B15R1.12 CCCCCCSCc1ccc(cc1)C 62a_100000210314_100000210814 [1,1,0,0,0,0|2,0,0]=4 3965 B15R1.12 CCCCCCSCc1ccc(cc1)C 62a_100000210814_100000210757 [1,1,0,0,0,0|2,0,0]=4 3966 B15R1.12 CCCCCCSCc1ccc(cc1)F 62a_100000198546_100000210757 [1,1,0,0,0,0|2,0,0]=4 3967 B15R1.12 CCCCCCSCc1ccc(cc1)F 62a_100000210314_100000187164 [1,1,0,0,0,0|2,0,0]=4 3968 B15R1.12 CCCCCNCCc1ccc(cc1)Br 2230a_100000209983_100011740612 [1,1,0,0,0,0|1,0,0]=3 3969 B15R1.12 CCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210326 [1,1,0,0,0,0|1,0,0]=3 3970 B15R1.12 CCCCCNCCc1ccc(cc1)Br 34a_100000755846_100000718602 [1,1,0,0,0,0|1,0,0]=3 3971 B15R1.12 CCCCCNCCc1ccc(cc1)C 2230a_100000209983_100011713686 [1,1,0,0,0,0|1,0,0]=3 3972 B15R1.12 CCCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210326 [1,1,0,0,0,0|1,0,0]=3 3973 B15R1.12 CCCCCNCCc1ccc(cc1)C 34a_100000705350_100000718602 [1,1,0,0,0,0|1,0,0]=3 3974 B15R1.12 CCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210326 [1,1,0,0,0,0|1,0,0]=3 3975 B15R1.12 CCCCCNCCc1ccc(cc1)Cl 2230a_100000209983_100011713675 [1,1,0,0,0,0|1,0,0]=3 3976 B15R1.12 CCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000718602 [1,1,0,0,0,0|1,0,0]=3 3977 B15R1.12 CCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210326 [1,1,0,0,0,0|1,0,0]=3 3978 B15R1.12 CCCCCNCCc1ccc(cc1)F 2230a_100000209983_100011217392 [1,1,0,0,0,0|1,0,0]=3 3979 B15R1.12 CCCCCNCCc1ccc(cc1)F 34a_100000199005_100000718602 [1,1,0,0,0,0|1,0,0]=3 3980 B15R1.12 CCCCCNCCc1ccc(cc1)O 2230a_100000209983_100009816426 [1,1,0,0,0,0|0,0,0]=2 3981 B15R1.12 CCCCCNCCc1ccc(cc1)O 34a_100000743037_100000718602 [1,1,0,0,0,0|0,0,0]=2 3982 B15R1.12 CCCCCNN=Cc1ccc(cc1)O 4a_100000694160_100000185832 [1,1,0,0,0,0|1,0,1]=4 3983 B15R1.12 CCCCCOCCc1ccc(cc1)Br 34a_100000210253_100011740612 [1,1,0,0,0,0|2,0,0]=4 3984 B15R1.12 CCCCCOCCc1ccc(cc1)Br 34a_100000766406_100000718602 [1,1,0,0,0,0|2,0,0]=4 3985 B15R1.12 CCCCCOCCc1ccc(cc1)Br 7a_100000210253_100011740612 [1,1,0,0,0,0|2,0,0]=4 3986 B15R1.12 CCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210326 [1,1,0,0,0,0|2,0,0]=4 3987 B15R1.12 CCCCCOCCc1ccc(cc1)C 34a_100000210253_100011713686 [1,1,0,0,0,0|2,0,0]=4 3988 B15R1.12 CCCCCOCCc1ccc(cc1)C 34a_100000756670_100000718602 [1,1,0,0,0,0|2,0,0]=4 3989 B15R1.12 CCCCCOCCc1ccc(cc1)C 7a_100000210253_100011713686 [1,1,0,0,0,0|2,0,0]=4 3990 B15R1.12 CCCCCOCCc1ccc(cc1)C 7a_100000756670_100000210326 [1,1,0,0,0,0|2,0,0]=4 3991 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 34a_100000210253_100011713675 [1,1,0,0,0,0|2,0,0]=4 3992 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000718602 [1,1,0,0,0,0|2,0,0]=4 3993 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 7a_100000210253_100011713675 [1,1,0,0,0,0|2,0,0]=4 3994 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210326 [1,1,0,0,0,0|2,0,0]=4 3995 B15R1.12 CCCCCOCCc1ccc(cc1)F 34a_100000210253_100011217392 [1,1,0,0,0,0|2,0,0]=4 3996 B15R1.12 CCCCCOCCc1ccc(cc1)F 34a_100000754732_100000718602 [1,1,0,0,0,0|2,0,0]=4 3997 B15R1.12 CCCCCOCCc1ccc(cc1)F 7a_100000210253_100011217392 [1,1,0,0,0,0|2,0,0]=4 3998 B15R1.12 CCCCCOCCc1ccc(cc1)F 7a_100000754732_100000210326 [1,1,0,0,0,0|2,0,0]=4 3999 B15R1.12 CCCCCOCCc1ccc(cc1)I 34a_100012291149_100000718602 [1,1,0,0,0,0|2,0,0]=4 4000 B15R1.12 CCCCCOCCc1ccc(cc1)I 7a_100012291149_100000210326 [1,1,0,0,0,0|2,0,0]=4 4001 B15R1.12 CCCCCOCCc1ccc(cc1)N 34a_100011204434_100000718602 [1,1,0,0,0,0|2,0,0]=4 4002 B15R1.12 CCCCCOCCc1ccc(cc1)O 7a_100000210253_100009816426 [1,1,0,0,0,0|1,0,0]=3 4003 B15R1.12 CCCCCSCCc1ccc(cc1)Br 62a_100000210326_100011740612 [1,1,0,0,0,0|2,0,0]=4 4004 B15R1.12 CCCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210326 [1,1,0,0,0,0|2,0,0]=4 4005 B15R1.12 CCCCCSCCc1ccc(cc1)C 62a_100000210326_100011713686 [1,1,0,0,0,0|2,0,0]=4 4006 B15R1.12 CCCCCSCCc1ccc(cc1)C 62a_100011713686_100000210326 [1,1,0,0,0,0|2,0,0]=4 4007 B15R1.12 CCCCCSCCc1ccc(cc1)Cl 62a_100000210326_100011713675 [1,1,0,0,0,0|2,0,0]=4 4008 B15R1.12 CCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210326 [1,1,0,0,0,0|2,0,0]=4 4009 B15R1.12 CCCCCSCCc1ccc(cc1)F 62a_100000210326_100011217392 [1,1,0,0,0,0|2,0,0]=4 4010 B15R1.12 CCCCCSCCc1ccc(cc1)F 62a_100011217392_100000210326 [1,1,0,0,0,0|2,0,0]=4 4011 B15R1.12 CCCCCSCCc1ccc(cc1)O 62a_100000210326_100009816426 [1,1,0,0,0,0|1,0,0]=3 4012 B15R1.12 CCCCCSCCc1ccc(cc1)O 62a_100009816426_100000210326 [1,1,0,0,0,0|1,0,0]=3 4013 B15R1.12 CCCCNCC#Cc1ccc(cc1)Br 2230a_100000102301_100010706785 [1,1,0,0,0,0|1,0,1]=4 4014 B15R1.12 CCCCNCC#Cc1ccc(cc1)Br 7a_106832991798_100010706785 [1,1,0,0,0,0|1,0,1]=4 4015 B15R1.12 CCCCNCC#Cc1ccc(cc1)Cl 2230a_100011352944_100000210211 [1,1,0,0,0,0|1,0,1]=4 4016 B15R1.12 CCCCNCC#Cc1ccc(cc1)Cl 34a_100011352944_100000210210 [1,1,0,0,0,0|1,0,1]=4 4017 B15R1.12 CCCCNCC#Cc1ccc(cc1)F 2230a_100000102301_100010402171 [1,1,0,0,0,0|1,0,1]=4 4018 B15R1.12 CCCCNCC#Cc1ccc(cc1)F 7a_106832991798_100010402171 [1,1,0,0,0,0|1,0,1]=4 4019 B15R1.12 CCCCNCC=Cc1ccc(cc1)Br 270004a_100000102301_100016291818 [1,1,0,0,0,0|1,0,1]=4 4020 B15R1.12 CCCCNCC=Cc1ccc(cc1)C 270004a_100000102301_100016257026 [1,1,0,0,0,0|1,0,1]=4 4021 B15R1.12 CCCCNCC=Cc1ccc(cc1)Cl 270004a_100000102301_100102525842 [1,1,0,0,0,0|1,0,1]=4 4022 B15R1.12 CCCCNCC=Cc1ccc(cc1)F 270004a_100000102301_100016272083 [1,1,0,0,0,0|1,0,1]=4 4023 B15R1.12 CCCCNCCCc1ccc(cc1)Br 2230a_100000102301_100011713682 [1,1,0,0,0,0|1,0,0]=3 4024 B15R1.12 CCCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210211 [1,1,0,0,0,0|1,0,0]=3 4025 B15R1.12 CCCCNCCCc1ccc(cc1)Br 34a_100011297623_100000210210 [1,1,0,0,0,0|1,0,0]=3 4026 B15R1.12 CCCCNCCCc1ccc(cc1)Br 7a_106832991798_100011713682 [1,1,0,0,0,0|1,0,0]=3 4027 B15R1.12 CCCCNCCCc1ccc(cc1)C 2230a_100011236272_100000210211 [1,1,0,0,0,0|1,0,0]=3 4028 B15R1.12 CCCCNCCCc1ccc(cc1)C 34a_100011236272_100000210210 [1,1,0,0,0,0|1,0,0]=3 4029 B15R1.12 CCCCNCCCc1ccc(cc1)Cl 2230a_100000102301_100000759440 [1,1,0,0,0,0|1,0,0]=3 4030 B15R1.12 CCCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210211 [1,1,0,0,0,0|1,0,0]=3 4031 B15R1.12 CCCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210210 [1,1,0,0,0,0|1,0,0]=3 4032 B15R1.12 CCCCNCCCc1ccc(cc1)Cl 7a_106832991798_100000759440 [1,1,0,0,0,0|1,0,0]=3 4033 B15R1.12 CCCCNCCCc1ccc(cc1)F 2230a_100000102301_200011713563 [1,1,0,0,0,0|1,0,0]=3 4034 B15R1.12 CCCCNCCCc1ccc(cc1)F 2230a_100025745824_100000210211 [1,1,0,0,0,0|1,0,0]=3 4035 B15R1.12 CCCCNCCCc1ccc(cc1)F 34a_100025745824_100000210210 [1,1,0,0,0,0|1,0,0]=3 4036 B15R1.12 CCCCNCCCc1ccc(cc1)F 7a_106832991798_200011713563 [1,1,0,0,0,0|1,0,0]=3 4037 B15R1.12 CCCCNCCOc1ccc(cc1)Br 2230a_100000102301_100000183278 [1,1,0,0,0,0|1,0,0]=3 4038 B15R1.12 CCCCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210211 [1,1,0,0,0,0|1,0,0]=3 4039 B15R1.12 CCCCNCCOc1ccc(cc1)Br 34a_100000746992_100000210210 [1,1,0,0,0,0|1,0,0]=3 4040 B15R1.12 CCCCNCCOc1ccc(cc1)Br 7a_106832991798_100000183278 [1,1,0,0,0,0|1,0,0]=3 4041 B15R1.12 CCCCNCCOc1ccc(cc1)C 2230a_100000102301_100000183172 [1,1,0,0,0,0|1,0,0]=3 4042 B15R1.12 CCCCNCCOc1ccc(cc1)C 2230a_100020666663_100000210211 [1,1,0,0,0,0|1,0,0]=3 4043 B15R1.12 CCCCNCCOc1ccc(cc1)C 34a_100020666663_100000210210 [1,1,0,0,0,0|1,0,0]=3 4044 B15R1.12 CCCCNCCOc1ccc(cc1)C 7a_106832991798_100000183172 [1,1,0,0,0,0|1,0,0]=3 4045 B15R1.12 CCCCNCCOc1ccc(cc1)Cl 2230a_100000102301_100000184122 [1,1,0,0,0,0|1,0,0]=3 4046 B15R1.12 CCCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210211 [1,1,0,0,0,0|1,0,0]=3 4047 B15R1.12 CCCCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210210 [1,1,0,0,0,0|1,0,0]=3 4048 B15R1.12 CCCCNCCOc1ccc(cc1)Cl 7a_106832991798_100000184122 [1,1,0,0,0,0|1,0,0]=3 4049 B15R1.12 CCCCNCCOc1ccc(cc1)F 2230a_100000102301_100000184936 [1,1,0,0,0,0|1,0,0]=3 4050 B15R1.12 CCCCNCCOc1ccc(cc1)F 2230a_100000737420_100000210211 [1,1,0,0,0,0|1,0,0]=3 4051 B15R1.12 CCCCNCCOc1ccc(cc1)F 34a_100000737420_100000210210 [1,1,0,0,0,0|1,0,0]=3 4052 B15R1.12 CCCCNCCOc1ccc(cc1)F 7a_106832991798_100000184936 [1,1,0,0,0,0|1,0,0]=3 4053 B15R1.12 CCCCNCCSc1ccc(cc1)Br 2230a_100000184645_100000210211 [1,1,0,0,0,0|1,0,0]=3 4054 B15R1.12 CCCCNCCSc1ccc(cc1)C 2230a_100000739754_100000210211 [1,1,0,0,0,0|1,0,0]=3 4055 B15R1.12 CCCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210211 [1,1,0,0,0,0|1,0,0]=3 4056 B15R1.12 CCCCNN=CCc1ccc(cc1)Br 4a_100025702795_100011361690 [1,1,0,0,0,0|1,0,1]=4 4057 B15R1.12 CCCCNN=CCc1ccc(cc1)C 4a_100025702795_100011361684 [1,1,0,0,0,0|1,0,1]=4 4058 B15R1.12 CCCCNN=CCc1ccc(cc1)Cl 4a_100025702795_100000730895 [1,1,0,0,0,0|1,0,1]=4 4059 B15R1.12 CCCCNN=CCc1ccc(cc1)F 4a_100025702795_100000684651 [1,1,0,0,0,0|1,0,1]=4 4060 B15R1.12 CCCCOCCCc1ccc(cc1)Br 34a_100000210227_100011713682 [1,1,0,0,0,0|2,0,0]=4 4061 B15R1.12 CCCCOCCCc1ccc(cc1)Br 34a_100011709247_100000210210 [1,1,0,0,0,0|2,0,0]=4 4062 B15R1.12 CCCCOCCCc1ccc(cc1)Br 7a_100000210227_100011713682 [1,1,0,0,0,0|2,0,0]=4 4063 B15R1.12 CCCCOCCCc1ccc(cc1)Br 7a_100011709247_100000210211 [1,1,0,0,0,0|2,0,0]=4 4064 B15R1.12 CCCCOCCCc1ccc(cc1)C 34a_100000189427_100000210210 [1,1,0,0,0,0|2,0,0]=4 4065 B15R1.12 CCCCOCCCc1ccc(cc1)C 7a_100000189427_100000210211 [1,1,0,0,0,0|2,0,0]=4 4066 B15R1.12 CCCCOCCCc1ccc(cc1)Cl 34a_100000210227_100000759440 [1,1,0,0,0,0|2,0,0]=4 4067 B15R1.12 CCCCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210210 [1,1,0,0,0,0|2,0,0]=4 4068 B15R1.12 CCCCOCCCc1ccc(cc1)Cl 7a_100000210227_100000759440 [1,1,0,0,0,0|2,0,0]=4 4069 B15R1.12 CCCCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210211 [1,1,0,0,0,0|2,0,0]=4 4070 B15R1.12 CCCCOCCCc1ccc(cc1)F 34a_100000210227_200011713563 [1,1,0,0,0,0|2,0,0]=4 4071 B15R1.12 CCCCOCCCc1ccc(cc1)F 34a_100000757351_100000210210 [1,1,0,0,0,0|2,0,0]=4 4072 B15R1.12 CCCCOCCCc1ccc(cc1)F 7a_100000210227_200011713563 [1,1,0,0,0,0|2,0,0]=4 4073 B15R1.12 CCCCOCCCc1ccc(cc1)F 7a_100000757351_100000210211 [1,1,0,0,0,0|2,0,0]=4 4074 B15R1.12 CCCCOCCNc1ccc(cc1)Br 2230a_100000210018_100000743108 [1,1,0,0,0,0|2,0,0]=4 4075 B15R1.12 CCCCOCCNc1ccc(cc1)Br 34a_100000210018_100000743108 [1,1,0,0,0,0|2,0,0]=4 4076 B15R1.12 CCCCOCCNc1ccc(cc1)C 34a_100000124888_100000743108 [1,1,0,0,0,0|2,0,0]=4 4077 B15R1.12 CCCCOCCNc1ccc(cc1)Cl 2230a_100000210052_100000743108 [1,1,0,0,0,0|2,0,0]=4 4078 B15R1.12 CCCCOCCNc1ccc(cc1)Cl 34a_100000210052_100000743108 [1,1,0,0,0,0|2,0,0]=4 4079 B15R1.12 CCCCOCCNc1ccc(cc1)F 34a_100000185862_100000743108 [1,1,0,0,0,0|2,0,0]=4 4080 B15R1.12 CCCCOCCNc1ccc(cc1)I 34a_100000185761_100000743108 [1,1,0,0,0,0|2,0,0]=4 4081 B15R1.12 CCCCOCCNc1ccc(cc1)O 34a_100000185829_100000743108 [1,1,0,0,0,0|1,0,0]=3 4082 B15R1.12 CCCCOCCOc1ccc(cc1)Br 34a_100000185759_100000743108 [1,1,0,0,0,0|2,0,0]=4 4083 B15R1.12 CCCCOCCOc1ccc(cc1)Br 34a_100000210227_100000183278 [1,1,0,0,0,0|2,0,0]=4 4084 B15R1.12 CCCCOCCOc1ccc(cc1)Br 34a_100000686261_100000210210 [1,1,0,0,0,0|2,0,0]=4 4085 B15R1.12 CCCCOCCOc1ccc(cc1)Br 7a_100000185759_100000743108 [1,1,0,0,0,0|2,0,0]=4 4086 B15R1.12 CCCCOCCOc1ccc(cc1)Br 7a_100000210227_100000183278 [1,1,0,0,0,0|2,0,0]=4 4087 B15R1.12 CCCCOCCOc1ccc(cc1)Br 7a_100000686261_100000210211 [1,1,0,0,0,0|2,0,0]=4 4088 B15R1.12 CCCCOCCOc1ccc(cc1)C 34a_100000210227_100000183172 [1,1,0,0,0,0|2,0,0]=4 4089 B15R1.12 CCCCOCCOc1ccc(cc1)C 34a_100000210336_100000743108 [1,1,0,0,0,0|2,0,0]=4 4090 B15R1.12 CCCCOCCOc1ccc(cc1)C 34a_100011219107_100000210210 [1,1,0,0,0,0|2,0,0]=4 4091 B15R1.12 CCCCOCCOc1ccc(cc1)C 7a_100000210227_100000183172 [1,1,0,0,0,0|2,0,0]=4 4092 B15R1.12 CCCCOCCOc1ccc(cc1)C 7a_100000210336_100000743108 [1,1,0,0,0,0|2,0,0]=4 4093 B15R1.12 CCCCOCCOc1ccc(cc1)C 7a_100011219107_100000210211 [1,1,0,0,0,0|2,0,0]=4 4094 B15R1.12 CCCCOCCOc1ccc(cc1)Cl 34a_100000210216_100000743108 [1,1,0,0,0,0|2,0,0]=4 4095 B15R1.12 CCCCOCCOc1ccc(cc1)Cl 34a_100000210227_100000184122 [1,1,0,0,0,0|2,0,0]=4 4096 B15R1.12 CCCCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210210 [1,1,0,0,0,0|2,0,0]=4 4097 B15R1.12 CCCCOCCOc1ccc(cc1)Cl 7a_100000210216_100000743108 [1,1,0,0,0,0|2,0,0]=4 4098 B15R1.12 CCCCOCCOc1ccc(cc1)Cl 7a_100000210227_100000184122 [1,1,0,0,0,0|2,0,0]=4 4099 B15R1.12 CCCCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210211 [1,1,0,0,0,0|2,0,0]=4 4100 B15R1.12 CCCCOCCOc1ccc(cc1)F 34a_100000210227_100000184936 [1,1,0,0,0,0|2,0,0]=4 4101 B15R1.12 CCCCOCCOc1ccc(cc1)F 34a_100000210339_100000743108 [1,1,0,0,0,0|2,0,0]=4 4102 B15R1.12 CCCCOCCOc1ccc(cc1)F 7a_100000210227_100000184936 [1,1,0,0,0,0|2,0,0]=4 4103 B15R1.12 CCCCOCCOc1ccc(cc1)I 34a_100000212066_100000743108 [1,1,0,0,0,0|2,0,0]=4 4104 B15R1.12 CCCCOCCOc1ccc(cc1)I 7a_100000212066_100000743108 [1,1,0,0,0,0|2,0,0]=4 4105 B15R1.12 CCCCOCCOc1ccc(cc1)N 34a_100000185829_100000743108 [1,1,0,0,0,0|2,0,0]=4 4106 B15R1.12 CCCCOCCOc1ccc(cc1)N 34a_100000754363_100000210210 [1,1,0,0,0,0|2,0,0]=4 4107 B15R1.12 CCCCOCCOc1ccc(cc1)O 271570a_203496583355_200011398394 [1,1,0,0,0,0|1,0,0]=3 4108 B15R1.12 CCCCOCCSc1ccc(cc1)Br 62a_100000743108_100000752885 [1,1,0,0,0,0|2,0,0]=4 4109 B15R1.12 CCCCOCCSc1ccc(cc1)Br 62a_100000752885_100000743108 [1,1,0,0,0,0|2,0,0]=4 4110 B15R1.12 CCCCOCCSc1ccc(cc1)C 34a_200000230582_100000210210 [1,1,0,0,0,0|2,0,0]=4 4111 B15R1.12 CCCCOCCSc1ccc(cc1)C 62a_100000186775_100000743108 [1,1,0,0,0,0|2,0,0]=4 4112 B15R1.12 CCCCOCCSc1ccc(cc1)C 62a_100000743108_100000186775 [1,1,0,0,0,0|2,0,0]=4 4113 B15R1.12 CCCCOCCSc1ccc(cc1)C 7a_200000230582_100000210211 [1,1,0,0,0,0|2,0,0]=4 4114 B15R1.12 CCCCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210210 [1,1,0,0,0,0|2,0,0]=4 4115 B15R1.12 CCCCOCCSc1ccc(cc1)Cl 62a_100000743108_100000755918 [1,1,0,0,0,0|2,0,0]=4 4116 B15R1.12 CCCCOCCSc1ccc(cc1)Cl 62a_100000755918_100000743108 [1,1,0,0,0,0|2,0,0]=4 4117 B15R1.12 CCCCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210211 [1,1,0,0,0,0|2,0,0]=4 4118 B15R1.12 CCCCOCCSc1ccc(cc1)F 34a_200000230679_100000210210 [1,1,0,0,0,0|2,0,0]=4 4119 B15R1.12 CCCCOCCSc1ccc(cc1)F 62a_100000211213_100000743108 [1,1,0,0,0,0|2,0,0]=4 4120 B15R1.12 CCCCOCCSc1ccc(cc1)F 62a_100000743108_100000211213 [1,1,0,0,0,0|2,0,0]=4 4121 B15R1.12 CCCCOCCSc1ccc(cc1)F 7a_200000230679_100000210211 [1,1,0,0,0,0|2,0,0]=4 4122 B15R1.12 CCCCOCCSc1ccc(cc1)N 62a_100000185761_100000743108 [1,1,0,0,0,0|2,0,0]=4 4123 B15R1.12 CCCCOCCSc1ccc(cc1)N 62a_100000743108_100000185761 [1,1,0,0,0,0|2,0,0]=4 4124 B15R1.12 CCCCOCCSc1ccc(cc1)O 62a_100000743108_100000185759 [1,1,0,0,0,0|1,0,0]=3 4125 B15R1.12 CCCCOCCSc1ccc(cn1)O 62a_100000685995_100000743108 [1,1,0,0,0,0|2,0,0]=4 4126 B15R1.12 CCCCOCCSc1ccc(cn1)O 62a_100000743108_100000744096 [1,1,0,0,0,0|2,0,0]=4 4127 B15R1.12 CCCCOCNCc1ccc(cc1)Br 2230a_100000174875_100011995733 [1,1,0,0,0,0|2,0,0]=4 4128 B15R1.12 CCCCOCNCc1ccc(cc1)Br 34a_100000174875_100011995733 [1,1,0,0,0,0|2,0,0]=4 4129 B15R1.12 CCCCOCNCc1ccc(cc1)C 2230a_100000174908_100011995733 [1,1,0,0,0,0|2,0,0]=4 4130 B15R1.12 CCCCOCNCc1ccc(cc1)C 34a_100000174908_100011995733 [1,1,0,0,0,0|2,0,0]=4 4131 B15R1.12 CCCCOCNCc1ccc(cc1)Cl 2230a_100000174871_100011995733 [1,1,0,0,0,0|2,0,0]=4 4132 B15R1.12 CCCCOCNCc1ccc(cc1)Cl 34a_100000174871_100011995733 [1,1,0,0,0,0|2,0,0]=4 4133 B15R1.12 CCCCOCNCc1ccc(cc1)F 2230a_100000174882_100011995733 [1,1,0,0,0,0|2,0,0]=4 4134 B15R1.12 CCCCOCNCc1ccc(cc1)F 34a_100000174882_100011995733 [1,1,0,0,0,0|2,0,0]=4 4135 B15R1.12 CCCCOCNCc1ccc(cc1)I 2230a_100016989417_100011995733 [1,1,0,0,0,0|2,0,0]=4 4136 B15R1.12 CCCCOCNCc1ccc(cc1)I 34a_100016989417_100011995733 [1,1,0,0,0,0|2,0,0]=4 4137 B15R1.12 CCCCOCNCc1ccc(cc1)O 34a_100000185549_100011995733 [1,1,0,0,0,0|1,0,0]=3 4138 B15R1.12 CCCCOCNCc1ccc(nc1)O 2230a_100000757128_100011995733 [1,1,0,0,0,0|2,0,0]=4 4139 B15R1.12 CCCCOCOCc1ccc(cc1)Br 34a_100000695286_100011995733 [1,1,0,0,0,0|2,0,0]=4 4140 B15R1.12 CCCCOCOCc1ccc(cc1)C 34a_100011215236_100011995733 [1,1,0,0,0,0|2,0,0]=4 4141 B15R1.12 CCCCOCOCc1ccc(cc1)Cl 34a_100000211118_100011995733 [1,1,0,0,0,0|2,0,0]=4 4142 B15R1.12 CCCCOCOCc1ccc(cc1)F 34a_100000210977_100011995733 [1,1,0,0,0,0|2,0,0]=4 4143 B15R1.12 CCCCOCOCc1ccc(cc1)I 34a_100000690907_100011995733 [1,1,0,0,0,0|2,0,0]=4 4144 B15R1.12 CCCCOCOCc1ccc(cc1)N 34a_100011215238_100011995733 [1,1,0,0,0,0|2,0,0]=4 4145 B15R1.12 CCCCOCSCc1ccc(cc1)Br 62a_100000189115_100011995733 [1,1,0,0,0,0|2,0,0]=4 4146 B15R1.12 CCCCOCSCc1ccc(cc1)Br 62a_100011995733_100000189115 [1,1,0,0,0,0|2,0,0]=4 4147 B15R1.12 CCCCOCSCc1ccc(cc1)C 62a_100000210814_100011995733 [1,1,0,0,0,0|2,0,0]=4 4148 B15R1.12 CCCCOCSCc1ccc(cc1)C 62a_100011995733_100000210814 [1,1,0,0,0,0|2,0,0]=4 4149 B15R1.12 CCCCOCSCc1ccc(cc1)Cl 62a_100000187161_100011995733 [1,1,0,0,0,0|2,0,0]=4 4150 B15R1.12 CCCCOCSCc1ccc(cc1)Cl 62a_100011995733_100000187161 [1,1,0,0,0,0|2,0,0]=4 4151 B15R1.12 CCCCOCSCc1ccc(cc1)F 62a_100000198546_100011995733 [1,1,0,0,0,0|2,0,0]=4 4152 B15R1.12 CCCCOCSCc1ccc(cc1)F 62a_100011995733_100000187164 [1,1,0,0,0,0|2,0,0]=4 4153 B15R1.12 CCCCOCSCc1ccc(cc1)I 62a_100000189116_100011995733 [1,1,0,0,0,0|2,0,0]=4 4154 B15R1.12 CCCCOCSCc1ccc(cc1)I 62a_100011995733_100000189116 [1,1,0,0,0,0|2,0,0]=4 4155 B15R1.12 CCCCSCCCc1ccc(cc1)Br 62a_100000210211_100011713682 [1,1,0,0,0,0|2,0,0]=4 4156 B15R1.12 CCCCSCCCc1ccc(cc1)Br 62a_100011713682_100000210210 [1,1,0,0,0,0|2,0,0]=4 4157 B15R1.12 CCCCSCCCc1ccc(cc1)Cl 62a_100000210211_100000759440 [1,1,0,0,0,0|2,0,0]=4 4158 B15R1.12 CCCCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210210 [1,1,0,0,0,0|2,0,0]=4 4159 B15R1.12 CCCCSCCCc1ccc(cc1)F 62a_100000210211_200011713563 [1,1,0,0,0,0|2,0,0]=4 4160 B15R1.12 CCCCSCCCc1ccc(cc1)F 62a_200011713563_100000210210 [1,1,0,0,0,0|2,0,0]=4 4161 B15R1.12 CCCCSCCOc1ccc(cc1)Br 62a_100000183278_100000210210 [1,1,0,0,0,0|2,0,0]=4 4162 B15R1.12 CCCCSCCOc1ccc(cc1)Br 62a_100000210211_100000183278 [1,1,0,0,0,0|2,0,0]=4 4163 B15R1.12 CCCCSCCOc1ccc(cc1)C 62a_100000183172_100000210210 [1,1,0,0,0,0|2,0,0]=4 4164 B15R1.12 CCCCSCCOc1ccc(cc1)C 62a_100000210211_100000183172 [1,1,0,0,0,0|2,0,0]=4 4165 B15R1.12 CCCCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210210 [1,1,0,0,0,0|2,0,0]=4 4166 B15R1.12 CCCCSCCOc1ccc(cc1)Cl 62a_100000210211_100000184122 [1,1,0,0,0,0|2,0,0]=4 4167 B15R1.12 CCCCSCCOc1ccc(cc1)F 62a_100000184936_100000210210 [1,1,0,0,0,0|2,0,0]=4 4168 B15R1.12 CCCCSCCOc1ccc(cc1)F 62a_100000210211_100000184936 [1,1,0,0,0,0|2,0,0]=4 4169 B15R1.12 CCCNCCCCc1ccc(cc1)Cl 2230a_100160821348_100000210303 [1,1,0,0,0,0|2,0,0]=4 4170 B15R1.12 CCCNCCCCc1ccc(cc1)Cl 34a_100160821348_100000210303 [1,1,0,0,0,0|2,0,0]=4 4171 B15R1.12 CCCNN=CCCc1ccc(cc1)O 4a_100000740057_200011361653 [1,1,0,0,0,0|1,0,1]=4 4172 B15R1.12 CCCOCCCCc1ccc(cc1)Br 34a_100000210258_200012094861 [1,1,0,0,0,0|2,0,0]=4 4173 B15R1.12 CCCOCCCCc1ccc(cc1)F 34a_100000210258_100012093538 [1,1,0,0,0,0|2,0,0]=4 4174 B15R1.12 CCCOCCNCc1ccc(cc1)O 34a_100000185549_100011215938 [1,1,0,0,0,0|2,0,0]=4 4175 B15R1.12 CCCSCCCCc1ccc(cc1)Br 62a_100000210303_200012094861 [1,1,0,0,0,0|2,0,0]=4 4176 B15R1.12 CCCSCCCCc1ccc(cc1)Br 62a_200012094861_100000210303 [1,1,0,0,0,0|2,0,0]=4 4177 B15R1.12 CCCSCCCCc1ccc(cc1)F 62a_100000210303_100012093538 [1,1,0,0,0,0|2,0,0]=4 4178 B15R1.12 CCCSCCCCc1ccc(cc1)F 62a_100012093538_100000210303 [1,1,0,0,0,0|2,0,0]=4 4179 B15R1.12 CCOCCCNCc1ccc(cc1)O 34a_100000185549_100012232248 [1,1,0,0,0,0|2,0,0]=4 4180 B15R1.12 CCOCCNCCc1ccc(cc1)Br 2230a_100000755846_100011215890 [1,1,0,0,0,0|1,0,0]=3 4181 B15R1.12 CCOCCNCCc1ccc(cc1)Br 2230a_102516460346_100011740612 [1,1,0,0,0,0|1,0,0]=3 4182 B15R1.12 CCOCCNCCc1ccc(cc1)Br 34a_100000755846_100000210147 [1,1,0,0,0,0|1,0,0]=3 4183 B15R1.12 CCOCCNCCc1ccc(cc1)Br 34a_102516460346_100011740612 [1,1,0,0,0,0|1,0,0]=3 4184 B15R1.12 CCOCCNCCc1ccc(cc1)C 2230a_100000705350_100011215890 [1,1,0,0,0,0|1,0,0]=3 4185 B15R1.12 CCOCCNCCc1ccc(cc1)C 2230a_102516460346_100011713686 [1,1,0,0,0,0|1,0,0]=3 4186 B15R1.12 CCOCCNCCc1ccc(cc1)C 34a_100000705350_100000210147 [1,1,0,0,0,0|1,0,0]=3 4187 B15R1.12 CCOCCNCCc1ccc(cc1)C 34a_102516460346_100011713686 [1,1,0,0,0,0|1,0,0]=3 4188 B15R1.12 CCOCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215890 [1,1,0,0,0,0|1,0,0]=3 4189 B15R1.12 CCOCCNCCc1ccc(cc1)Cl 2230a_102516460346_100011713675 [1,1,0,0,0,0|1,0,0]=3 4190 B15R1.12 CCOCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210147 [1,1,0,0,0,0|1,0,0]=3 4191 B15R1.12 CCOCCNCCc1ccc(cc1)Cl 34a_102516460346_100011713675 [1,1,0,0,0,0|1,0,0]=3 4192 B15R1.12 CCOCCNCCc1ccc(cc1)F 2230a_100000199005_100011215890 [1,1,0,0,0,0|1,0,0]=3 4193 B15R1.12 CCOCCNCCc1ccc(cc1)F 2230a_102516460346_100011217392 [1,1,0,0,0,0|1,0,0]=3 4194 B15R1.12 CCOCCNCCc1ccc(cc1)F 34a_100000199005_100000210147 [1,1,0,0,0,0|1,0,0]=3 4195 B15R1.12 CCOCCNCCc1ccc(cc1)F 34a_102516460346_100011217392 [1,1,0,0,0,0|1,0,0]=3 4196 B15R1.12 CCOCCNCCc1ccc(cc1)O 2230a_102516460346_100009816426 [1,1,0,0,0,0|0,0,0]=2 4197 B15R1.12 CCOCCNCCc1ccc(cc1)O 34a_100000743037_100000210147 [1,1,0,0,0,0|0,0,0]=2 4198 B15R1.12 CCOCCNN=Cc1ccc(cc1)O 4a_100000732670_100000185832 [1,1,0,0,0,0|1,0,1]=4 4199 B15R1.12 CCOCCOCCc1ccc(cc1)Br 34a_100000210136_100011740612 [1,1,0,0,0,0|2,0,0]=4 4200 B15R1.12 CCOCCOCCc1ccc(cc1)Br 34a_100000766406_100000210147 [1,1,0,0,0,0|2,0,0]=4 4201 B15R1.12 CCOCCOCCc1ccc(cc1)Br 7a_100000210136_100011740612 [1,1,0,0,0,0|2,0,0]=4 4202 B15R1.12 CCOCCOCCc1ccc(cc1)Br 7a_100000766406_100011215890 [1,1,0,0,0,0|2,0,0]=4 4203 B15R1.12 CCOCCOCCc1ccc(cc1)C 34a_100000210136_100011713686 [1,1,0,0,0,0|2,0,0]=4 4204 B15R1.12 CCOCCOCCc1ccc(cc1)C 34a_100000756670_100000210147 [1,1,0,0,0,0|2,0,0]=4 4205 B15R1.12 CCOCCOCCc1ccc(cc1)C 7a_100000210136_100011713686 [1,1,0,0,0,0|2,0,0]=4 4206 B15R1.12 CCOCCOCCc1ccc(cc1)C 7a_100000756670_100011215890 [1,1,0,0,0,0|2,0,0]=4 4207 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 34a_100000210136_100011713675 [1,1,0,0,0,0|2,0,0]=4 4208 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210147 [1,1,0,0,0,0|2,0,0]=4 4209 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 7a_100000210136_100011713675 [1,1,0,0,0,0|2,0,0]=4 4210 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 7a_100011219627_100011215890 [1,1,0,0,0,0|2,0,0]=4 4211 B15R1.12 CCOCCOCCc1ccc(cc1)F 34a_100000210136_100011217392 [1,1,0,0,0,0|2,0,0]=4 4212 B15R1.12 CCOCCOCCc1ccc(cc1)F 34a_100000754732_100000210147 [1,1,0,0,0,0|2,0,0]=4 4213 B15R1.12 CCOCCOCCc1ccc(cc1)F 7a_100000210136_100011217392 [1,1,0,0,0,0|2,0,0]=4 4214 B15R1.12 CCOCCOCCc1ccc(cc1)F 7a_100000754732_100011215890 [1,1,0,0,0,0|2,0,0]=4 4215 B15R1.12 CCOCCOCCc1ccc(cc1)I 34a_100012291149_100000210147 [1,1,0,0,0,0|2,0,0]=4 4216 B15R1.12 CCOCCOCCc1ccc(cc1)I 7a_100012291149_100011215890 [1,1,0,0,0,0|2,0,0]=4 4217 B15R1.12 CCOCCOCCc1ccc(cc1)N 34a_100011204434_100000210147 [1,1,0,0,0,0|2,0,0]=4 4218 B15R1.12 CCOCCOCCc1ccc(cc1)O 7a_100000210136_100009816426 [1,1,0,0,0,0|1,0,0]=3 4219 B15R1.12 CCOCCSCCc1ccc(cc1)Br 62a_100000210147_100011740612 [1,1,0,0,0,0|2,0,0]=4 4220 B15R1.12 CCOCCSCCc1ccc(cc1)Br 62a_100011740612_100011215890 [1,1,0,0,0,0|2,0,0]=4 4221 B15R1.12 CCOCCSCCc1ccc(cc1)C 62a_100000210147_100011713686 [1,1,0,0,0,0|2,0,0]=4 4222 B15R1.12 CCOCCSCCc1ccc(cc1)C 62a_100011713686_100011215890 [1,1,0,0,0,0|2,0,0]=4 4223 B15R1.12 CCOCCSCCc1ccc(cc1)Cl 62a_100000210147_100011713675 [1,1,0,0,0,0|2,0,0]=4 4224 B15R1.12 CCOCCSCCc1ccc(cc1)Cl 62a_100011713675_100011215890 [1,1,0,0,0,0|2,0,0]=4 4225 B15R1.12 CCOCCSCCc1ccc(cc1)F 62a_100000210147_100011217392 [1,1,0,0,0,0|2,0,0]=4 4226 B15R1.12 CCOCCSCCc1ccc(cc1)F 62a_100011217392_100011215890 [1,1,0,0,0,0|2,0,0]=4 4227 B15R1.12 CCOCCSCCc1ccc(cc1)O 62a_100000210147_100009816426 [1,1,0,0,0,0|1,0,0]=3 4228 B15R1.12 CCOCCSCCc1ccc(cc1)O 62a_100009816426_100011215890 [1,1,0,0,0,0|1,0,0]=3 4229 B15R1.12 CCSCCNCCc1ccc(cc1)Br 2230a_100000106463_100011740612 [1,1,0,0,0,0|1,0,0]=3 4230 B15R1.12 CCSCCNCCc1ccc(cc1)Br 2230a_100000755846_100000757381 [1,1,0,0,0,0|1,0,0]=3 4231 B15R1.12 CCSCCNCCc1ccc(cc1)Br 34a_100000755846_100000757381 [1,1,0,0,0,0|1,0,0]=3 4232 B15R1.12 CCSCCNCCc1ccc(cc1)C 2230a_100000106463_100011713686 [1,1,0,0,0,0|1,0,0]=3 4233 B15R1.12 CCSCCNCCc1ccc(cc1)C 2230a_100000705350_100000757381 [1,1,0,0,0,0|1,0,0]=3 4234 B15R1.12 CCSCCNCCc1ccc(cc1)C 34a_100000705350_100000757381 [1,1,0,0,0,0|1,0,0]=3 4235 B15R1.12 CCSCCNCCc1ccc(cc1)Cl 2230a_100000106463_100011713675 [1,1,0,0,0,0|1,0,0]=3 4236 B15R1.12 CCSCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000757381 [1,1,0,0,0,0|1,0,0]=3 4237 B15R1.12 CCSCCNCCc1ccc(cc1)Cl 34a_100000185265_100000757381 [1,1,0,0,0,0|1,0,0]=3 4238 B15R1.12 CCSCCNCCc1ccc(cc1)F 2230a_100000106463_100011217392 [1,1,0,0,0,0|1,0,0]=3 4239 B15R1.12 CCSCCNCCc1ccc(cc1)F 2230a_100000199005_100000757381 [1,1,0,0,0,0|1,0,0]=3 4240 B15R1.12 CCSCCNCCc1ccc(cc1)F 34a_100000199005_100000757381 [1,1,0,0,0,0|1,0,0]=3 4241 B15R1.12 CCSCCNCCc1ccc(cc1)O 2230a_100000106463_100009816426 [1,1,0,0,0,0|0,0,0]=2 4242 B15R1.12 CCSCCNCCc1ccc(cc1)O 34a_100000743037_100000757381 [1,1,0,0,0,0|0,0,0]=2 4243 B15R1.12 CCSCCOCCc1ccc(cc1)Br 34a_100000212035_100011740612 [1,1,0,0,0,0|2,0,0]=4 4244 B15R1.12 CCSCCOCCc1ccc(cc1)Br 34a_100000766406_100000757381 [1,1,0,0,0,0|2,0,0]=4 4245 B15R1.12 CCSCCOCCc1ccc(cc1)Br 7a_100000212035_100011740612 [1,1,0,0,0,0|2,0,0]=4 4246 B15R1.12 CCSCCOCCc1ccc(cc1)Br 7a_100000766406_100000757381 [1,1,0,0,0,0|2,0,0]=4 4247 B15R1.12 CCSCCOCCc1ccc(cc1)C 34a_100000212035_100011713686 [1,1,0,0,0,0|2,0,0]=4 4248 B15R1.12 CCSCCOCCc1ccc(cc1)C 34a_100000756670_100000757381 [1,1,0,0,0,0|2,0,0]=4 4249 B15R1.12 CCSCCOCCc1ccc(cc1)C 7a_100000212035_100011713686 [1,1,0,0,0,0|2,0,0]=4 4250 B15R1.12 CCSCCOCCc1ccc(cc1)C 7a_100000756670_100000757381 [1,1,0,0,0,0|2,0,0]=4 4251 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 34a_100000212035_100011713675 [1,1,0,0,0,0|2,0,0]=4 4252 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 34a_100011219627_100000757381 [1,1,0,0,0,0|2,0,0]=4 4253 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 7a_100000212035_100011713675 [1,1,0,0,0,0|2,0,0]=4 4254 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 7a_100011219627_100000757381 [1,1,0,0,0,0|2,0,0]=4 4255 B15R1.12 CCSCCOCCc1ccc(cc1)F 34a_100000212035_100011217392 [1,1,0,0,0,0|2,0,0]=4 4256 B15R1.12 CCSCCOCCc1ccc(cc1)F 34a_100000754732_100000757381 [1,1,0,0,0,0|2,0,0]=4 4257 B15R1.12 CCSCCOCCc1ccc(cc1)F 7a_100000212035_100011217392 [1,1,0,0,0,0|2,0,0]=4 4258 B15R1.12 CCSCCOCCc1ccc(cc1)F 7a_100000754732_100000757381 [1,1,0,0,0,0|2,0,0]=4 4259 B15R1.12 CCSCCOCCc1ccc(cc1)I 34a_100012291149_100000757381 [1,1,0,0,0,0|2,0,0]=4 4260 B15R1.12 CCSCCOCCc1ccc(cc1)I 7a_100012291149_100000757381 [1,1,0,0,0,0|2,0,0]=4 4261 B15R1.12 CCSCCOCCc1ccc(cc1)N 34a_100011204434_100000757381 [1,1,0,0,0,0|2,0,0]=4 4262 B15R1.12 CCSCCOCCc1ccc(cc1)O 7a_100000212035_100009816426 [1,1,0,0,0,0|1,0,0]=3 4263 B15R1.12 CCSCCSCCc1ccc(cc1)Br 62a_100000757381_100011740612 [1,1,0,0,0,0|2,0,0]=4 4264 B15R1.12 CCSCCSCCc1ccc(cc1)Br 62a_100011740612_100000757381 [1,1,0,0,0,0|2,0,0]=4 4265 B15R1.12 CCSCCSCCc1ccc(cc1)C 62a_100000757381_100011713686 [1,1,0,0,0,0|2,0,0]=4 4266 B15R1.12 CCSCCSCCc1ccc(cc1)C 62a_100011713686_100000757381 [1,1,0,0,0,0|2,0,0]=4 4267 B15R1.12 CCSCCSCCc1ccc(cc1)Cl 62a_100000757381_100011713675 [1,1,0,0,0,0|2,0,0]=4 4268 B15R1.12 CCSCCSCCc1ccc(cc1)Cl 62a_100011713675_100000757381 [1,1,0,0,0,0|2,0,0]=4 4269 B15R1.12 CCSCCSCCc1ccc(cc1)F 62a_100000757381_100011217392 [1,1,0,0,0,0|2,0,0]=4 4270 B15R1.12 CCSCCSCCc1ccc(cc1)F 62a_100011217392_100000757381 [1,1,0,0,0,0|2,0,0]=4 4271 B15R1.12 CCSCCSCCc1ccc(cc1)O 62a_100000757381_100009816426 [1,1,0,0,0,0|1,0,0]=3 4272 B15R1.12 CCSCCSCCc1ccc(cc1)O 62a_100009816426_100000757381 [1,1,0,0,0,0|1,0,0]=3 4273 B15R1.12 CNCCCOCCc1ccc(cc1)Br 34a_100000213112_100011740612 [1,1,0,0,0,0|2,0,0]=4 4274 B15R1.12 CNCCCOCCc1ccc(cc1)C 34a_100000213112_100011713686 [1,1,0,0,0,0|2,0,0]=4 4275 B15R1.12 CNCCCOCCc1ccc(cc1)Cl 34a_100000213112_100011713675 [1,1,0,0,0,0|2,0,0]=4 4276 B15R1.12 CNCCCOCCc1ccc(cc1)F 34a_100000213112_100011217392 [1,1,0,0,0,0|2,0,0]=4 4277 B15R1.12 COCCCCNCc1ccc(cc1)O 34a_100000185549_100000755781 [1,1,0,0,0,0|2,0,0]=4 4278 B15R1.12 COCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000740836 [1,1,0,0,0,0|1,0,0]=3 4279 B15R1.12 COCCCNCCc1ccc(cc1)Br 34a_100000755846_100000740836 [1,1,0,0,0,0|1,0,0]=3 4280 B15R1.12 COCCCNCCc1ccc(cc1)Br 34a_100150723488_100011740612 [1,1,0,0,0,0|1,0,0]=3 4281 B15R1.12 COCCCNCCc1ccc(cc1)C 2230a_100000705350_100000740836 [1,1,0,0,0,0|1,0,0]=3 4282 B15R1.12 COCCCNCCc1ccc(cc1)C 34a_100000705350_100000740836 [1,1,0,0,0,0|1,0,0]=3 4283 B15R1.12 COCCCNCCc1ccc(cc1)C 34a_100150723488_100011713686 [1,1,0,0,0,0|1,0,0]=3 4284 B15R1.12 COCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000740836 [1,1,0,0,0,0|1,0,0]=3 4285 B15R1.12 COCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000740836 [1,1,0,0,0,0|1,0,0]=3 4286 B15R1.12 COCCCNCCc1ccc(cc1)Cl 34a_100150723488_100011713675 [1,1,0,0,0,0|1,0,0]=3 4287 B15R1.12 COCCCNCCc1ccc(cc1)F 2230a_100000199005_100000740836 [1,1,0,0,0,0|1,0,0]=3 4288 B15R1.12 COCCCNCCc1ccc(cc1)F 34a_100000199005_100000740836 [1,1,0,0,0,0|1,0,0]=3 4289 B15R1.12 COCCCNCCc1ccc(cc1)F 34a_100150723488_100011217392 [1,1,0,0,0,0|1,0,0]=3 4290 B15R1.12 COCCCNCCc1ccc(cc1)O 34a_100000743037_100000740836 [1,1,0,0,0,0|0,0,0]=2 4291 B15R1.12 COCCCOCCc1ccc(cc1)Br 34a_100000740835_100011740612 [1,1,0,0,0,0|2,0,0]=4 4292 B15R1.12 COCCCOCCc1ccc(cc1)Br 34a_100000766406_100000740836 [1,1,0,0,0,0|2,0,0]=4 4293 B15R1.12 COCCCOCCc1ccc(cc1)Br 7a_100000766406_100000740836 [1,1,0,0,0,0|2,0,0]=4 4294 B15R1.12 COCCCOCCc1ccc(cc1)C 34a_100000740835_100011713686 [1,1,0,0,0,0|2,0,0]=4 4295 B15R1.12 COCCCOCCc1ccc(cc1)C 34a_100000756670_100000740836 [1,1,0,0,0,0|2,0,0]=4 4296 B15R1.12 COCCCOCCc1ccc(cc1)C 7a_100000756670_100000740836 [1,1,0,0,0,0|2,0,0]=4 4297 B15R1.12 COCCCOCCc1ccc(cc1)Cl 34a_100000740835_100011713675 [1,1,0,0,0,0|2,0,0]=4 4298 B15R1.12 COCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000740836 [1,1,0,0,0,0|2,0,0]=4 4299 B15R1.12 COCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000740836 [1,1,0,0,0,0|2,0,0]=4 4300 B15R1.12 COCCCOCCc1ccc(cc1)F 34a_100000740835_100011217392 [1,1,0,0,0,0|2,0,0]=4 4301 B15R1.12 COCCCOCCc1ccc(cc1)F 34a_100000754732_100000740836 [1,1,0,0,0,0|2,0,0]=4 4302 B15R1.12 COCCCOCCc1ccc(cc1)F 7a_100000754732_100000740836 [1,1,0,0,0,0|2,0,0]=4 4303 B15R1.12 COCCCOCCc1ccc(cc1)I 34a_100012291149_100000740836 [1,1,0,0,0,0|2,0,0]=4 4304 B15R1.12 COCCCOCCc1ccc(cc1)I 7a_100012291149_100000740836 [1,1,0,0,0,0|2,0,0]=4 4305 B15R1.12 COCCCOCCc1ccc(cc1)N 34a_100011204434_100000740836 [1,1,0,0,0,0|2,0,0]=4 4306 B15R1.12 COCCCSCCc1ccc(cc1)Br 62a_100000709357_100011740612 [1,1,0,0,0,0|2,0,0]=4 4307 B15R1.12 COCCCSCCc1ccc(cc1)Br 62a_100011740612_100000709357 [1,1,0,0,0,0|2,0,0]=4 4308 B15R1.12 COCCCSCCc1ccc(cc1)C 62a_100000709357_100011713686 [1,1,0,0,0,0|2,0,0]=4 4309 B15R1.12 COCCCSCCc1ccc(cc1)C 62a_100011713686_100000709357 [1,1,0,0,0,0|2,0,0]=4 4310 B15R1.12 COCCCSCCc1ccc(cc1)Cl 62a_100000709357_100011713675 [1,1,0,0,0,0|2,0,0]=4 4311 B15R1.12 COCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000709357 [1,1,0,0,0,0|2,0,0]=4 4312 B15R1.12 COCCCSCCc1ccc(cc1)F 62a_100000709357_100011217392 [1,1,0,0,0,0|2,0,0]=4 4313 B15R1.12 COCCCSCCc1ccc(cc1)F 62a_100011217392_100000709357 [1,1,0,0,0,0|2,0,0]=4 4314 B15R1.12 COCCCSCCc1ccc(cc1)O 62a_100000709357_100009816426 [1,1,0,0,0,0|1,0,0]=3 4315 B15R1.12 COCCCSCCc1ccc(cc1)O 62a_100009816426_100000709357 [1,1,0,0,0,0|1,0,0]=3 4316 B15R1.12 COCCNCCCc1ccc(cc1)Br 2230a_100000209980_100011713682 [1,1,0,0,0,0|2,0,0]=4 4317 B15R1.12 COCCNCCCc1ccc(cc1)Br 2230a_100011297623_100011201679 [1,1,0,0,0,0|2,0,0]=4 4318 B15R1.12 COCCNCCCc1ccc(cc1)Br 34a_100011297623_100011201679 [1,1,0,0,0,0|2,0,0]=4 4319 B15R1.12 COCCNCCCc1ccc(cc1)C 2230a_100011236272_100011201679 [1,1,0,0,0,0|2,0,0]=4 4320 B15R1.12 COCCNCCCc1ccc(cc1)C 34a_100011236272_100011201679 [1,1,0,0,0,0|2,0,0]=4 4321 B15R1.12 COCCNCCCc1ccc(cc1)Cl 2230a_100000209980_100000759440 [1,1,0,0,0,0|2,0,0]=4 4322 B15R1.12 COCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011201679 [1,1,0,0,0,0|2,0,0]=4 4323 B15R1.12 COCCNCCCc1ccc(cc1)Cl 34a_100000748451_100011201679 [1,1,0,0,0,0|2,0,0]=4 4324 B15R1.12 COCCNCCCc1ccc(cc1)F 2230a_100000209980_200011713563 [1,1,0,0,0,0|2,0,0]=4 4325 B15R1.12 COCCNCCCc1ccc(cc1)F 2230a_100025745824_100011201679 [1,1,0,0,0,0|2,0,0]=4 4326 B15R1.12 COCCNCCCc1ccc(cc1)F 34a_100025745824_100011201679 [1,1,0,0,0,0|2,0,0]=4 4327 B15R1.12 COCCNCCOc1ccc(cc1)Br 2230a_100000209980_100000183278 [1,1,0,0,0,0|2,0,0]=4 4328 B15R1.12 COCCNCCOc1ccc(cc1)Br 2230a_100000746992_100011201679 [1,1,0,0,0,0|2,0,0]=4 4329 B15R1.12 COCCNCCOc1ccc(cc1)Br 34a_100000746992_100011201679 [1,1,0,0,0,0|2,0,0]=4 4330 B15R1.12 COCCNCCOc1ccc(cc1)C 2230a_100000209980_100000183172 [1,1,0,0,0,0|2,0,0]=4 4331 B15R1.12 COCCNCCOc1ccc(cc1)C 2230a_100020666663_100011201679 [1,1,0,0,0,0|2,0,0]=4 4332 B15R1.12 COCCNCCOc1ccc(cc1)C 34a_100020666663_100011201679 [1,1,0,0,0,0|2,0,0]=4 4333 B15R1.12 COCCNCCOc1ccc(cc1)Cl 2230a_100000209980_100000184122 [1,1,0,0,0,0|2,0,0]=4 4334 B15R1.12 COCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100011201679 [1,1,0,0,0,0|2,0,0]=4 4335 B15R1.12 COCCNCCOc1ccc(cc1)Cl 34a_100000697975_100011201679 [1,1,0,0,0,0|2,0,0]=4 4336 B15R1.12 COCCNCCOc1ccc(cc1)Cl 34a_100015184113_200000210301 [1,1,0,0,0,0|2,0,0]=4 4337 B15R1.12 COCCNCCOc1ccc(cc1)F 2230a_100000209980_100000184936 [1,1,0,0,0,0|2,0,0]=4 4338 B15R1.12 COCCNCCOc1ccc(cc1)F 2230a_100000737420_100011201679 [1,1,0,0,0,0|2,0,0]=4 4339 B15R1.12 COCCNCCOc1ccc(cc1)F 34a_100000737420_100011201679 [1,1,0,0,0,0|2,0,0]=4 4340 B15R1.12 COCCNCCSc1ccc(cc1)Br 2230a_100000184645_100011201679 [1,1,0,0,0,0|2,0,0]=4 4341 B15R1.12 COCCNCCSc1ccc(cc1)C 2230a_100000739754_100011201679 [1,1,0,0,0,0|2,0,0]=4 4342 B15R1.12 COCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100011201679 [1,1,0,0,0,0|2,0,0]=4 4343 B15R1.12 COCCNCCSc1ccc(cc1)Cl 34a_200015184740_200000210301 [1,1,0,0,0,0|2,0,0]=4 4344 B15R1.12 COCCOCCNc1ccc(cc1)O 34a_100000185829_100000695917 [1,1,0,0,0,0|2,0,0]=4 4345 B15R1.12 COCCOCCSc1ccc(cc1)O 62a_100000695917_100000185759 [1,1,0,0,0,0|2,0,0]=4 4346 B15R1.12 CSCCCNCCc1ccc(cc1)Br 2230a_100000749238_100011740612 [1,1,0,0,0,0|1,0,0]=3 4347 B15R1.12 CSCCCNCCc1ccc(cc1)C 2230a_100000749238_100011713686 [1,1,0,0,0,0|1,0,0]=3 4348 B15R1.12 CSCCCNCCc1ccc(cc1)Cl 2230a_100000749238_100011713675 [1,1,0,0,0,0|1,0,0]=3 4349 B15R1.12 CSCCCNCCc1ccc(cc1)F 2230a_100000749238_100011217392 [1,1,0,0,0,0|1,0,0]=3 4350 B15R1.12 CSCCCNCCc1ccc(cc1)O 2230a_100000749238_100009816426 [1,1,0,0,0,0|0,0,0]=2 4351 B15R1.12 CSCCCOCCc1ccc(cc1)Br 34a_100000690336_100011740612 [1,1,0,0,0,0|2,0,0]=4 4352 B15R1.12 CSCCCOCCc1ccc(cc1)Br 7a_100000690336_100011740612 [1,1,0,0,0,0|2,0,0]=4 4353 B15R1.12 CSCCCOCCc1ccc(cc1)C 34a_100000690336_100011713686 [1,1,0,0,0,0|2,0,0]=4 4354 B15R1.12 CSCCCOCCc1ccc(cc1)C 7a_100000690336_100011713686 [1,1,0,0,0,0|2,0,0]=4 4355 B15R1.12 CSCCCOCCc1ccc(cc1)Cl 34a_100000690336_100011713675 [1,1,0,0,0,0|2,0,0]=4 4356 B15R1.12 CSCCCOCCc1ccc(cc1)Cl 7a_100000690336_100011713675 [1,1,0,0,0,0|2,0,0]=4 4357 B15R1.12 CSCCCOCCc1ccc(cc1)F 34a_100000690336_100011217392 [1,1,0,0,0,0|2,0,0]=4 4358 B15R1.12 CSCCCOCCc1ccc(cc1)F 7a_100000690336_100011217392 [1,1,0,0,0,0|2,0,0]=4 4359 B15R1.12 CSCCCOCCc1ccc(cc1)O 7a_100000690336_100009816426 [1,1,0,0,0,0|1,0,0]=3 4360 B15R1.12 CSCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000751147 [1,1,0,0,0,0|2,0,0]=4 4361 B15R1.12 CSCCNCCCc1ccc(cc1)Br 2230a_100020590264_100011713682 [1,1,0,0,0,0|2,0,0]=4 4362 B15R1.12 CSCCNCCCc1ccc(cc1)Br 34a_100011297623_100000212216 [1,1,0,0,0,0|2,0,0]=4 4363 B15R1.12 CSCCNCCCc1ccc(cc1)C 2230a_100011236272_100000751147 [1,1,0,0,0,0|2,0,0]=4 4364 B15R1.12 CSCCNCCCc1ccc(cc1)C 34a_100011236272_100000212216 [1,1,0,0,0,0|2,0,0]=4 4365 B15R1.12 CSCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000751147 [1,1,0,0,0,0|2,0,0]=4 4366 B15R1.12 CSCCNCCCc1ccc(cc1)Cl 2230a_100020590264_100000759440 [1,1,0,0,0,0|2,0,0]=4 4367 B15R1.12 CSCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000212216 [1,1,0,0,0,0|2,0,0]=4 4368 B15R1.12 CSCCNCCCc1ccc(cc1)F 2230a_100020590264_200011713563 [1,1,0,0,0,0|2,0,0]=4 4369 B15R1.12 CSCCNCCCc1ccc(cc1)F 2230a_100025745824_100000751147 [1,1,0,0,0,0|2,0,0]=4 4370 B15R1.12 CSCCNCCCc1ccc(cc1)F 34a_100025745824_100000212216 [1,1,0,0,0,0|2,0,0]=4 4371 B15R1.12 CSCCNCCOc1ccc(cc1)Br 2230a_100000746992_100000751147 [1,1,0,0,0,0|2,0,0]=4 4372 B15R1.12 CSCCNCCOc1ccc(cc1)Br 2230a_100020590264_100000183278 [1,1,0,0,0,0|2,0,0]=4 4373 B15R1.12 CSCCNCCOc1ccc(cc1)Br 34a_100000746992_100000212216 [1,1,0,0,0,0|2,0,0]=4 4374 B15R1.12 CSCCNCCOc1ccc(cc1)C 2230a_100020590264_100000183172 [1,1,0,0,0,0|2,0,0]=4 4375 B15R1.12 CSCCNCCOc1ccc(cc1)C 2230a_100020666663_100000751147 [1,1,0,0,0,0|2,0,0]=4 4376 B15R1.12 CSCCNCCOc1ccc(cc1)C 34a_100020666663_100000212216 [1,1,0,0,0,0|2,0,0]=4 4377 B15R1.12 CSCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000751147 [1,1,0,0,0,0|2,0,0]=4 4378 B15R1.12 CSCCNCCOc1ccc(cc1)Cl 2230a_100020590264_100000184122 [1,1,0,0,0,0|2,0,0]=4 4379 B15R1.12 CSCCNCCOc1ccc(cc1)Cl 34a_100000697975_100000212216 [1,1,0,0,0,0|2,0,0]=4 4380 B15R1.12 CSCCNCCOc1ccc(cc1)F 2230a_100000737420_100000751147 [1,1,0,0,0,0|2,0,0]=4 4381 B15R1.12 CSCCNCCOc1ccc(cc1)F 2230a_100020590264_100000184936 [1,1,0,0,0,0|2,0,0]=4 4382 B15R1.12 CSCCNCCOc1ccc(cc1)F 34a_100000737420_100000212216 [1,1,0,0,0,0|2,0,0]=4 4383 B15R1.12 CSCCNCCSc1ccc(cc1)Br 2230a_100000184645_100000751147 [1,1,0,0,0,0|2,0,0]=4 4384 B15R1.12 CSCCNCCSc1ccc(cc1)C 2230a_100000739754_100000751147 [1,1,0,0,0,0|2,0,0]=4 4385 B15R1.12 CSCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000751147 [1,1,0,0,0,0|2,0,0]=4 4386 B15R1.12 Cc1ccc(cc1)CCCNCCCF 2230a_100011236272_100011934791 [1,1,0,0,0,0|2,0,0]=4 4387 B15R1.12 Cc1ccc(cc1)CCCNCCCF 34a_100011236272_100011934791 [1,1,0,0,0,0|2,0,0]=4 4388 B15R1.12 Cc1ccc(cc1)CCCNCCCO 2230a_100011236272_100000230001 [1,1,0,0,0,0|2,0,0]=4 4389 B15R1.12 Cc1ccc(cc1)CCCNCCCO 34a_100011236272_100000230001 [1,1,0,0,0,0|2,0,0]=4 4390 B15R1.12 Cc1ccc(cc1)CCNCCCC#N 2230a_100000705350_100000687738 [1,1,0,0,0,0|1,0,1]=4 4391 B15R1.12 Cc1ccc(cc1)CCNCCCC=O 2230a_100000705350_200011292268 [1,1,0,0,0,0|1,0,1]=4 4392 B15R1.12 Cc1ccc(cc1)CCNCCCCF 2230a_100000705350_100000729493 [1,1,0,0,0,0|1,0,0]=3 4393 B15R1.12 Cc1ccc(cc1)CCNCCCCF 34a_100000705350_100000729493 [1,1,0,0,0,0|1,0,0]=3 4394 B15R1.12 Cc1ccc(cc1)CCNCCCCO 2230a_100000705350_100000210776 [1,1,0,0,0,0|1,0,0]=3 4395 B15R1.12 Cc1ccc(cc1)CCNCCCCO 2230a_100000750430_100011713686 [1,1,0,0,0,0|1,0,0]=3 4396 B15R1.12 Cc1ccc(cc1)CCNCCCCO 34a_100000705350_100011216708 [1,1,0,0,0,0|1,0,0]=3 4397 B15R1.12 Cc1ccc(cc1)CCNCCCCO 34a_100000750430_100011713686 [1,1,0,0,0,0|1,0,0]=3 4398 B15R1.12 Cc1ccc(cc1)CCOCCCCBr 34a_100011216708_100011713686 [1,1,0,0,0,0|2,0,0]=4 4399 B15R1.12 Cc1ccc(cc1)CCOCCCCCl 34a_100000210776_100011713686 [1,1,0,0,0,0|2,0,0]=4 4400 B15R1.12 Cc1ccc(cc1)CCOCCCCCl 7a_100000210776_100011713686 [1,1,0,0,0,0|2,0,0]=4 4401 B15R1.12 Cc1ccc(cc1)CCOCCCCF 34a_100000756670_100000729493 [1,1,0,0,0,0|2,0,0]=4 4402 B15R1.12 Cc1ccc(cc1)CCOCCCCF 34a_100011995726_100011713686 [1,1,0,0,0,0|2,0,0]=4 4403 B15R1.12 Cc1ccc(cc1)CCOCCCCF 7a_100000756670_100000729493 [1,1,0,0,0,0|2,0,0]=4 4404 B15R1.12 Cc1ccc(cc1)CCOCCCCF 7a_100011995726_100011713686 [1,1,0,0,0,0|2,0,0]=4 4405 B15R1.12 Cc1ccc(cc1)CCOCCCCI 34a_200012148704_100011713686 [1,1,0,0,0,0|2,0,0]=4 4406 B15R1.12 Cc1ccc(cc1)CCOCCCCN 34a_100000750430_100011713686 [1,1,0,0,0,0|2,0,0]=4 4407 B15R1.12 Cc1ccc(cc1)CCOCCCCO 34a_100000756670_100011216708 [1,1,0,0,0,0|2,0,0]=4 4408 B15R1.12 Cc1ccc(cc1)CCOCCCCO 7a_100000756670_100000210776 [1,1,0,0,0,0|2,0,0]=4 4409 B15R1.12 Cc1ccc(cc1)CCSCCCCF 62a_100000729493_100011713686 [1,1,0,0,0,0|2,0,0]=4 4410 B15R1.12 Cc1ccc(cc1)CCSCCCCF 62a_100011713686_100000729493 [1,1,0,0,0,0|2,0,0]=4 4411 B15R1.12 Cc1ccc(cc1)CCSCCCCO 62a_100000210776_100011713686 [1,1,0,0,0,0|2,0,0]=4 4412 B15R1.12 Cc1ccc(cc1)CCSCCCCO 62a_100011713686_100000210776 [1,1,0,0,0,0|2,0,0]=4 4413 B15R1.12 Cc1ccc(cc1)OCCNCCCF 2230a_100015189416_100000183172 [1,1,0,0,0,0|2,0,0]=4 4414 B15R1.12 Cc1ccc(cc1)OCCNCCCF 2230a_100020666663_100011934791 [1,1,0,0,0,0|2,0,0]=4 4415 B15R1.12 Cc1ccc(cc1)OCCNCCCF 34a_100015189416_100000183172 [1,1,0,0,0,0|2,0,0]=4 4416 B15R1.12 Cc1ccc(cc1)OCCNCCCF 34a_100020666663_100011934791 [1,1,0,0,0,0|2,0,0]=4 4417 B15R1.12 Cc1ccc(cc1)OCCNCCCO 2230a_100020666663_100000230001 [1,1,0,0,0,0|2,0,0]=4 4418 B15R1.12 Cc1ccc(cc1)OCCNCCCO 34a_100020666663_100000230001 [1,1,0,0,0,0|2,0,0]=4 4419 B15R1.12 Cc1ccc(cc1)SCCNCCCF 2230a_100000739754_100011934791 [1,1,0,0,0,0|2,0,0]=4 4420 B15R1.12 Cc1ccc(cc1)SCCNCCCO 2230a_100000739754_100000230001 [1,1,0,0,0,0|2,0,0]=4 4421 B15R1.12 ClCCCCOCCc1ccc(cc1)Br 34a_100000210776_100011740612 [1,1,0,0,0,0|2,0,0]=4 4422 B15R1.12 ClCCCCOCCc1ccc(cc1)Br 7a_100000210776_100011740612 [1,1,0,0,0,0|2,0,0]=4 4423 B15R1.12 ClCCCCOCCc1ccc(cc1)Cl 34a_100000210776_100011713675 [1,1,0,0,0,0|2,0,0]=4 4424 B15R1.12 ClCCCCOCCc1ccc(cc1)Cl 7a_100000210776_100011713675 [1,1,0,0,0,0|2,0,0]=4 4425 B15R1.12 Clc1ccc(cc1)CCOCCCCBr 34a_100011216708_100011713675 [1,1,0,0,0,0|2,0,0]=4 4426 B15R1.12 Clc1ccc(cc1)CCOCCCCI 34a_200012148704_100011713675 [1,1,0,0,0,0|2,0,0]=4 4427 B15R1.12 FCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000729493 [1,1,0,0,0,0|1,0,0]=3 4428 B15R1.12 FCCCCNCCc1ccc(cc1)Br 34a_100000755846_100000729493 [1,1,0,0,0,0|1,0,0]=3 4429 B15R1.12 FCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000729493 [1,1,0,0,0,0|1,0,0]=3 4430 B15R1.12 FCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000729493 [1,1,0,0,0,0|1,0,0]=3 4431 B15R1.12 FCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000729493 [1,1,0,0,0,0|1,0,0]=3 4432 B15R1.12 FCCCCNCCc1ccc(cc1)F 34a_100000199005_100000729493 [1,1,0,0,0,0|1,0,0]=3 4433 B15R1.12 FCCCCOCCc1ccc(cc1)Br 34a_100000766406_100000729493 [1,1,0,0,0,0|2,0,0]=4 4434 B15R1.12 FCCCCOCCc1ccc(cc1)Br 34a_100011995726_100011740612 [1,1,0,0,0,0|2,0,0]=4 4435 B15R1.12 FCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000729493 [1,1,0,0,0,0|2,0,0]=4 4436 B15R1.12 FCCCCOCCc1ccc(cc1)Br 7a_100011995726_100011740612 [1,1,0,0,0,0|2,0,0]=4 4437 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000729493 [1,1,0,0,0,0|2,0,0]=4 4438 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 34a_100011995726_100011713675 [1,1,0,0,0,0|2,0,0]=4 4439 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000729493 [1,1,0,0,0,0|2,0,0]=4 4440 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 7a_100011995726_100011713675 [1,1,0,0,0,0|2,0,0]=4 4441 B15R1.12 FCCCCOCCc1ccc(cc1)F 34a_100000754732_100000729493 [1,1,0,0,0,0|2,0,0]=4 4442 B15R1.12 FCCCCOCCc1ccc(cc1)F 34a_100011995726_100011217392 [1,1,0,0,0,0|2,0,0]=4 4443 B15R1.12 FCCCCOCCc1ccc(cc1)F 7a_100000754732_100000729493 [1,1,0,0,0,0|2,0,0]=4 4444 B15R1.12 FCCCCOCCc1ccc(cc1)F 7a_100011995726_100011217392 [1,1,0,0,0,0|2,0,0]=4 4445 B15R1.12 FCCCCOCCc1ccc(cc1)I 34a_100012291149_100000729493 [1,1,0,0,0,0|2,0,0]=4 4446 B15R1.12 FCCCCOCCc1ccc(cc1)I 7a_100012291149_100000729493 [1,1,0,0,0,0|2,0,0]=4 4447 B15R1.12 FCCCCSCCc1ccc(cc1)Br 62a_100000729493_100011740612 [1,1,0,0,0,0|2,0,0]=4 4448 B15R1.12 FCCCCSCCc1ccc(cc1)Br 62a_100011740612_100000729493 [1,1,0,0,0,0|2,0,0]=4 4449 B15R1.12 FCCCCSCCc1ccc(cc1)Cl 62a_100000729493_100011713675 [1,1,0,0,0,0|2,0,0]=4 4450 B15R1.12 FCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000729493 [1,1,0,0,0,0|2,0,0]=4 4451 B15R1.12 FCCCCSCCc1ccc(cc1)F 62a_100000729493_100011217392 [1,1,0,0,0,0|2,0,0]=4 4452 B15R1.12 FCCCCSCCc1ccc(cc1)F 62a_100011217392_100000729493 [1,1,0,0,0,0|2,0,0]=4 4453 B15R1.12 FCCCNCCCc1ccc(cc1)Br 2230a_100011297623_100011934791 [1,1,0,0,0,0|2,0,0]=4 4454 B15R1.12 FCCCNCCCc1ccc(cc1)Br 2230a_100015189416_100011713682 [1,1,0,0,0,0|2,0,0]=4 4455 B15R1.12 FCCCNCCCc1ccc(cc1)Br 34a_100011297623_100011934791 [1,1,0,0,0,0|2,0,0]=4 4456 B15R1.12 FCCCNCCCc1ccc(cc1)Br 34a_100015189416_100011713682 [1,1,0,0,0,0|2,0,0]=4 4457 B15R1.12 FCCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011934791 [1,1,0,0,0,0|2,0,0]=4 4458 B15R1.12 FCCCNCCCc1ccc(cc1)Cl 2230a_100015189416_100000759440 [1,1,0,0,0,0|2,0,0]=4 4459 B15R1.12 FCCCNCCCc1ccc(cc1)Cl 34a_100000748451_100011934791 [1,1,0,0,0,0|2,0,0]=4 4460 B15R1.12 FCCCNCCCc1ccc(cc1)Cl 34a_100015189416_100000759440 [1,1,0,0,0,0|2,0,0]=4 4461 B15R1.12 FCCCNCCCc1ccc(cc1)F 2230a_100015189416_200011713563 [1,1,0,0,0,0|2,0,0]=4 4462 B15R1.12 FCCCNCCCc1ccc(cc1)F 2230a_100025745824_100011934791 [1,1,0,0,0,0|2,0,0]=4 4463 B15R1.12 FCCCNCCCc1ccc(cc1)F 34a_100015189416_200011713563 [1,1,0,0,0,0|2,0,0]=4 4464 B15R1.12 FCCCNCCCc1ccc(cc1)F 34a_100025745824_100011934791 [1,1,0,0,0,0|2,0,0]=4 4465 B15R1.12 FCCCNCCOc1ccc(cc1)Br 2230a_100000746992_100011934791 [1,1,0,0,0,0|2,0,0]=4 4466 B15R1.12 FCCCNCCOc1ccc(cc1)Br 2230a_100015189416_100000183278 [1,1,0,0,0,0|2,0,0]=4 4467 B15R1.12 FCCCNCCOc1ccc(cc1)Br 34a_100000746992_100011934791 [1,1,0,0,0,0|2,0,0]=4 4468 B15R1.12 FCCCNCCOc1ccc(cc1)Br 34a_100015189416_100000183278 [1,1,0,0,0,0|2,0,0]=4 4469 B15R1.12 FCCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100011934791 [1,1,0,0,0,0|2,0,0]=4 4470 B15R1.12 FCCCNCCOc1ccc(cc1)Cl 2230a_100015189416_100000184122 [1,1,0,0,0,0|2,0,0]=4 4471 B15R1.12 FCCCNCCOc1ccc(cc1)Cl 34a_100000697975_100011934791 [1,1,0,0,0,0|2,0,0]=4 4472 B15R1.12 FCCCNCCOc1ccc(cc1)Cl 34a_100015189416_100000184122 [1,1,0,0,0,0|2,0,0]=4 4473 B15R1.12 FCCCNCCOc1ccc(cc1)F 2230a_100000737420_100011934791 [1,1,0,0,0,0|2,0,0]=4 4474 B15R1.12 FCCCNCCOc1ccc(cc1)F 2230a_100015189416_100000184936 [1,1,0,0,0,0|2,0,0]=4 4475 B15R1.12 FCCCNCCOc1ccc(cc1)F 34a_100000737420_100011934791 [1,1,0,0,0,0|2,0,0]=4 4476 B15R1.12 FCCCNCCOc1ccc(cc1)F 34a_100015189416_100000184936 [1,1,0,0,0,0|2,0,0]=4 4477 B15R1.12 FCCCNCCSc1ccc(cc1)Br 2230a_100000184645_100011934791 [1,1,0,0,0,0|2,0,0]=4 4478 B15R1.12 FCCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100011934791 [1,1,0,0,0,0|2,0,0]=4 4479 B15R1.12 Fc1ccc(cc1)CCOCCCCBr 34a_100011216708_100011217392 [1,1,0,0,0,0|2,0,0]=4 4480 B15R1.12 Fc1ccc(cc1)CCOCCCCCl 34a_100000210776_100011217392 [1,1,0,0,0,0|2,0,0]=4 4481 B15R1.12 Fc1ccc(cc1)CCOCCCCCl 7a_100000210776_100011217392 [1,1,0,0,0,0|2,0,0]=4 4482 B15R1.12 Fc1ccc(cc1)CCOCCCCI 34a_200012148704_100011217392 [1,1,0,0,0,0|2,0,0]=4 4483 B15R1.12 N#CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000687738 [1,1,0,0,0,0|1,0,1]=4 4484 B15R1.12 N#CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000687738 [1,1,0,0,0,0|1,0,1]=4 4485 B15R1.12 N#CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000687738 [1,1,0,0,0,0|1,0,1]=4 4486 B15R1.12 N#CCCCSCCc1ccc(cc1)O 62a_100000687738_100009816426 [1,1,0,0,0,0|1,0,1]=4 4487 B15R1.12 N#CCCCSCCc1ccc(cc1)O 62a_100009816426_100000687738 [1,1,0,0,0,0|1,0,1]=4 4488 B15R1.12 NCCCCOCCc1ccc(cc1)Br 34a_100000750430_100011740612 [1,1,0,0,0,0|2,0,0]=4 4489 B15R1.12 NCCCCOCCc1ccc(cc1)Cl 34a_100000750430_100011713675 [1,1,0,0,0,0|2,0,0]=4 4490 B15R1.12 NCCCCOCCc1ccc(cc1)F 34a_100000750430_100011217392 [1,1,0,0,0,0|2,0,0]=4 4491 B15R1.12 Nc1ccc(cc1)CCOCCCCF 34a_100011204434_100000729493 [1,1,0,0,0,0|2,0,0]=4 4492 B15R1.12 Nc1ccc(cc1)CCOCCCCO 34a_100011204434_100011216708 [1,1,0,0,0,0|2,0,0]=4 4493 B15R1.12 O=CCCCNCCc1ccc(cc1)Br 2230a_100000755846_200011292268 [1,1,0,0,0,0|1,0,1]=4 4494 B15R1.12 O=CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_200011292268 [1,1,0,0,0,0|1,0,1]=4 4495 B15R1.12 O=CCCCNCCc1ccc(cc1)F 2230a_100000199005_200011292268 [1,1,0,0,0,0|1,0,1]=4 4496 B15R1.12 O=CCCCSCCc1ccc(cc1)O 62a_100009816426_200011292268 [1,1,0,0,0,0|1,0,1]=4 4497 B15R1.12 O=CCCCSCCc1ccc(cc1)O 62a_200011292268_100009816426 [1,1,0,0,0,0|1,0,1]=4 4498 B15R1.12 OCC#CCNCCc1ccc(cc1)O 34a_100000743037_200000047223 [1,1,0,0,0,0|0,0,2]=4 4499 B15R1.12 OCCCCCCNc1ccc(cc1)O 34a_100000185829_100000766143 [1,1,0,0,0,0|2,0,0]=4 4500 B15R1.12 OCCCCCCSc1ccc(cc1)O 62a_100000766143_100000185759 [1,1,0,0,0,0|2,0,0]=4 4501 B15R1.12 OCCCCCNCc1ccc(cc1)O 34a_100000185549_100000746330 [1,1,0,0,0,0|2,0,0]=4 4502 B15R1.12 OCCCCNCCc1ccc(cc1)Br 2230a_100000750430_100011740612 [1,1,0,0,0,0|1,0,0]=3 4503 B15R1.12 OCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210776 [1,1,0,0,0,0|1,0,0]=3 4504 B15R1.12 OCCCCNCCc1ccc(cc1)Br 34a_100000750430_100011740612 [1,1,0,0,0,0|1,0,0]=3 4505 B15R1.12 OCCCCNCCc1ccc(cc1)Br 34a_100000755846_100011216708 [1,1,0,0,0,0|1,0,0]=3 4506 B15R1.12 OCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210776 [1,1,0,0,0,0|1,0,0]=3 4507 B15R1.12 OCCCCNCCc1ccc(cc1)Cl 2230a_100000750430_100011713675 [1,1,0,0,0,0|1,0,0]=3 4508 B15R1.12 OCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100011216708 [1,1,0,0,0,0|1,0,0]=3 4509 B15R1.12 OCCCCNCCc1ccc(cc1)Cl 34a_100000750430_100011713675 [1,1,0,0,0,0|1,0,0]=3 4510 B15R1.12 OCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210776 [1,1,0,0,0,0|1,0,0]=3 4511 B15R1.12 OCCCCNCCc1ccc(cc1)F 2230a_100000750430_100011217392 [1,1,0,0,0,0|1,0,0]=3 4512 B15R1.12 OCCCCNCCc1ccc(cc1)F 34a_100000199005_100011216708 [1,1,0,0,0,0|1,0,0]=3 4513 B15R1.12 OCCCCNCCc1ccc(cc1)F 34a_100000750430_100011217392 [1,1,0,0,0,0|1,0,0]=3 4514 B15R1.12 OCCCCNCCc1ccc(cc1)O 2230a_100000750430_100009816426 [1,1,0,0,0,0|0,0,0]=2 4515 B15R1.12 OCCCCNCCc1ccc(cc1)O 34a_100000743037_100011216708 [1,1,0,0,0,0|0,0,0]=2 4516 B15R1.12 OCCCCOCCc1ccc(cc1)Br 34a_100000766406_100011216708 [1,1,0,0,0,0|2,0,0]=4 4517 B15R1.12 OCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210776 [1,1,0,0,0,0|2,0,0]=4 4518 B15R1.12 OCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100011216708 [1,1,0,0,0,0|2,0,0]=4 4519 B15R1.12 OCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210776 [1,1,0,0,0,0|2,0,0]=4 4520 B15R1.12 OCCCCOCCc1ccc(cc1)F 34a_100000754732_100011216708 [1,1,0,0,0,0|2,0,0]=4 4521 B15R1.12 OCCCCOCCc1ccc(cc1)F 7a_100000754732_100000210776 [1,1,0,0,0,0|2,0,0]=4 4522 B15R1.12 OCCCCOCCc1ccc(cc1)I 34a_100012291149_100011216708 [1,1,0,0,0,0|2,0,0]=4 4523 B15R1.12 OCCCCOCCc1ccc(cc1)I 7a_100012291149_100000210776 [1,1,0,0,0,0|2,0,0]=4 4524 B15R1.12 OCCCCSCCc1ccc(cc1)Br 62a_100000210776_100011740612 [1,1,0,0,0,0|2,0,0]=4 4525 B15R1.12 OCCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210776 [1,1,0,0,0,0|2,0,0]=4 4526 B15R1.12 OCCCCSCCc1ccc(cc1)Cl 62a_100000210776_100011713675 [1,1,0,0,0,0|2,0,0]=4 4527 B15R1.12 OCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210776 [1,1,0,0,0,0|2,0,0]=4 4528 B15R1.12 OCCCCSCCc1ccc(cc1)F 62a_100000210776_100011217392 [1,1,0,0,0,0|2,0,0]=4 4529 B15R1.12 OCCCCSCCc1ccc(cc1)F 62a_100011217392_100000210776 [1,1,0,0,0,0|2,0,0]=4 4530 B15R1.12 OCCCCSCCc1ccc(cc1)O 62a_100000210776_100009816426 [1,1,0,0,0,0|1,0,0]=3 4531 B15R1.12 OCCCCSCCc1ccc(cc1)O 62a_100009816426_100000210776 [1,1,0,0,0,0|1,0,0]=3 4532 B15R1.12 OCCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000230001 [1,1,0,0,0,0|2,0,0]=4 4533 B15R1.12 OCCCNCCCc1ccc(cc1)Br 34a_100011297623_100000230001 [1,1,0,0,0,0|2,0,0]=4 4534 B15R1.12 OCCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000230001 [1,1,0,0,0,0|2,0,0]=4 4535 B15R1.12 OCCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000230001 [1,1,0,0,0,0|2,0,0]=4 4536 B15R1.12 OCCCNCCCc1ccc(cc1)F 2230a_100025745824_100000230001 [1,1,0,0,0,0|2,0,0]=4 4537 B15R1.12 OCCCNCCCc1ccc(cc1)F 34a_100025745824_100000230001 [1,1,0,0,0,0|2,0,0]=4 4538 B15R1.12 OCCCNCCOc1ccc(cc1)Br 2230a_100000746992_100000230001 [1,1,0,0,0,0|2,0,0]=4 4539 B15R1.12 OCCCNCCOc1ccc(cc1)Br 34a_100000746992_100000230001 [1,1,0,0,0,0|2,0,0]=4 4540 B15R1.12 OCCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000230001 [1,1,0,0,0,0|2,0,0]=4 4541 B15R1.12 OCCCNCCOc1ccc(cc1)Cl 34a_100000697975_100000230001 [1,1,0,0,0,0|2,0,0]=4 4542 B15R1.12 OCCCNCCOc1ccc(cc1)F 2230a_100000737420_100000230001 [1,1,0,0,0,0|2,0,0]=4 4543 B15R1.12 OCCCNCCOc1ccc(cc1)F 34a_100000737420_100000230001 [1,1,0,0,0,0|2,0,0]=4 4544 B15R1.12 OCCCNCCSc1ccc(cc1)Br 2230a_100000184645_100000230001 [1,1,0,0,0,0|2,0,0]=4 4545 B15R1.12 OCCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000230001 [1,1,0,0,0,0|2,0,0]=4 4546 B15R1.12 Oc1ccc(cc1)CCNCCCCF 34a_100000743037_100000729493 [1,1,0,0,0,0|0,0,0]=2 4547 B15R1.12 Oc1ccc(cc1)CCOCCCCCl 7a_100000210776_100009816426 [1,1,0,0,0,0|1,0,0]=3 4548 B15R1.12 Oc1ccc(cc1)CCOCCCCF 7a_100011995726_100009816426 [1,1,0,0,0,0|1,0,0]=3 4549 B15R1.12 Oc1ccc(cc1)CCSCCCCF 62a_100000729493_100009816426 [1,1,0,0,0,0|1,0,0]=3 4550 B15R1.12 Oc1ccc(cc1)CCSCCCCF 62a_100009816426_100000729493 [1,1,0,0,0,0|1,0,0]=3 4551 B15R1.12 Oc1ccc(cc1)CNCCCCCF 34a_100000185549_100000729378 [1,1,0,0,0,0|2,0,0]=4 4552 B15R1.12 Oc1ccc(cc1)NCCCCCCF 34a_100000185829_100015922095 [1,1,0,0,0,0|2,0,0]=4 4553 B15R1.12 Oc1ccc(cc1)SCCCCCCF 62a_100015922095_100000185759 [1,1,0,0,0,0|2,0,0]=4 4554 B15R1.12 [13CH3]OCCNCCOc1ccc(cc1)Cl 34a_100015184113_200025704644 [1,1,0,0,0,0|2,0,0]=4 4555 B15R1.12 [13CH3]OCCNCCSc1ccc(cc1)Cl 34a_200015184740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4556 B15R1.26 C=CC(O)CNCCc1ccc(cc1)O 34a_100000743037_100000730141 [1,1,0,0,0,0|0,0,2]=4 4557 B15R1.26 CC(CO)CNCCc1ccc(cc1)Br 34a_100000744482_100011740612 [1,1,0,0,0,0|2,0,0]=4 4558 B15R1.26 CC(CO)CNCCc1ccc(cc1)Cl 34a_100000744482_100011713675 [1,1,0,0,0,0|2,0,0]=4 4559 B15R1.26 CC(CO)CNCCc1ccc(cc1)F 34a_100000744482_100011217392 [1,1,0,0,0,0|2,0,0]=4 4560 B15R1.26 CCC(=O)CCCCc1ccc(cc1)O 1458a_100000047048_100000210202 [1,1,0,0,0,0|1,0,1]=4 4561 B15R1.26 CCC(=O)CSCCc1ccc(cc1)O 62a_100000747405_100009816426 [1,1,0,0,0,0|1,0,1]=4 4562 B15R1.26 CCC(=O)CSCCc1ccc(cc1)O 62a_100009816426_100000747405 [1,1,0,0,0,0|1,0,1]=4 4563 B15R1.26 CCC(C)CNCCc1ccc(cc1)Br 2230a_100000755846_100000748023 [1,1,0,0,0,0|1,0,0]=3 4564 B15R1.26 CCC(C)CNCCc1ccc(cc1)Br 2230a_100020588543_100011740612 [1,1,0,0,0,0|1,0,0]=3 4565 B15R1.26 CCC(C)CNCCc1ccc(cc1)Br 270004a_100000755846_100000243153 [1,1,0,0,0,0|1,0,0]=3 4566 B15R1.26 CCC(C)CNCCc1ccc(cc1)Br 34a_100000755846_100000748023 [1,1,0,0,0,0|1,0,0]=3 4567 B15R1.26 CCC(C)CNCCc1ccc(cc1)C 2230a_100000705350_100000748023 [1,1,0,0,0,0|1,0,0]=3 4568 B15R1.26 CCC(C)CNCCc1ccc(cc1)C 2230a_100020588543_100011713686 [1,1,0,0,0,0|1,0,0]=3 4569 B15R1.26 CCC(C)CNCCc1ccc(cc1)C 270004a_100000705350_100000243153 [1,1,0,0,0,0|1,0,0]=3 4570 B15R1.26 CCC(C)CNCCc1ccc(cc1)C 34a_100000705350_100000748023 [1,1,0,0,0,0|1,0,0]=3 4571 B15R1.26 CCC(C)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000748023 [1,1,0,0,0,0|1,0,0]=3 4572 B15R1.26 CCC(C)CNCCc1ccc(cc1)Cl 2230a_100020588543_100011713675 [1,1,0,0,0,0|1,0,0]=3 4573 B15R1.26 CCC(C)CNCCc1ccc(cc1)Cl 270004a_100000185265_100000243153 [1,1,0,0,0,0|1,0,0]=3 4574 B15R1.26 CCC(C)CNCCc1ccc(cc1)Cl 34a_100000185265_100000748023 [1,1,0,0,0,0|1,0,0]=3 4575 B15R1.26 CCC(C)CNCCc1ccc(cc1)F 2230a_100000199005_100000748023 [1,1,0,0,0,0|1,0,0]=3 4576 B15R1.26 CCC(C)CNCCc1ccc(cc1)F 2230a_100020588543_100011217392 [1,1,0,0,0,0|1,0,0]=3 4577 B15R1.26 CCC(C)CNCCc1ccc(cc1)F 270004a_100000199005_100000243153 [1,1,0,0,0,0|1,0,0]=3 4578 B15R1.26 CCC(C)CNCCc1ccc(cc1)F 34a_100000199005_100000748023 [1,1,0,0,0,0|1,0,0]=3 4579 B15R1.26 CCC(C)CNCCc1ccc(cc1)O 2230a_100020588543_100009816426 [1,1,0,0,0,0|0,0,0]=2 4580 B15R1.26 CCC(C)CNCCc1ccc(cc1)O 270004a_100000743037_100000243153 [1,1,0,0,0,0|0,0,0]=2 4581 B15R1.26 CCC(C)CNCCc1ccc(cc1)O 34a_100000743037_100000748023 [1,1,0,0,0,0|0,0,0]=2 4582 B15R1.26 CCC(C)COCCc1ccc(cc1)Br 34a_100000766406_100000748023 [1,1,0,0,0,0|2,0,0]=4 4583 B15R1.26 CCC(C)COCCc1ccc(cc1)Br 7a_100000766406_100000748023 [1,1,0,0,0,0|2,0,0]=4 4584 B15R1.26 CCC(C)COCCc1ccc(cc1)C 34a_100000756670_100000748023 [1,1,0,0,0,0|2,0,0]=4 4585 B15R1.26 CCC(C)COCCc1ccc(cc1)C 7a_100000756670_100000748023 [1,1,0,0,0,0|2,0,0]=4 4586 B15R1.26 CCC(C)COCCc1ccc(cc1)Cl 34a_100011219627_100000748023 [1,1,0,0,0,0|2,0,0]=4 4587 B15R1.26 CCC(C)COCCc1ccc(cc1)Cl 7a_100011219627_100000748023 [1,1,0,0,0,0|2,0,0]=4 4588 B15R1.26 CCC(C)COCCc1ccc(cc1)F 34a_100000754732_100000748023 [1,1,0,0,0,0|2,0,0]=4 4589 B15R1.26 CCC(C)COCCc1ccc(cc1)F 7a_100000754732_100000748023 [1,1,0,0,0,0|2,0,0]=4 4590 B15R1.26 CCC(C)COCCc1ccc(cc1)I 34a_100012291149_100000748023 [1,1,0,0,0,0|2,0,0]=4 4591 B15R1.26 CCC(C)COCCc1ccc(cc1)I 7a_100012291149_100000748023 [1,1,0,0,0,0|2,0,0]=4 4592 B15R1.26 CCC(C)COCCc1ccc(cc1)N 34a_100011204434_100000748023 [1,1,0,0,0,0|2,0,0]=4 4593 B15R1.26 CCC(C)CSCCc1ccc(cc1)Br 62a_100000748023_100011740612 [1,1,0,0,0,0|2,0,0]=4 4594 B15R1.26 CCC(C)CSCCc1ccc(cc1)Br 62a_100011740612_100000748023 [1,1,0,0,0,0|2,0,0]=4 4595 B15R1.26 CCC(C)CSCCc1ccc(cc1)C 62a_100000748023_100011713686 [1,1,0,0,0,0|2,0,0]=4 4596 B15R1.26 CCC(C)CSCCc1ccc(cc1)C 62a_100011713686_100000748023 [1,1,0,0,0,0|2,0,0]=4 4597 B15R1.26 CCC(C)CSCCc1ccc(cc1)Cl 62a_100000748023_100011713675 [1,1,0,0,0,0|2,0,0]=4 4598 B15R1.26 CCC(C)CSCCc1ccc(cc1)Cl 62a_100011713675_100000748023 [1,1,0,0,0,0|2,0,0]=4 4599 B15R1.26 CCC(C)CSCCc1ccc(cc1)F 62a_100000748023_100011217392 [1,1,0,0,0,0|2,0,0]=4 4600 B15R1.26 CCC(C)CSCCc1ccc(cc1)F 62a_100011217392_100000748023 [1,1,0,0,0,0|2,0,0]=4 4601 B15R1.26 CCC(C)CSCCc1ccc(cc1)O 62a_100000748023_100009816426 [1,1,0,0,0,0|1,0,0]=3 4602 B15R1.26 CCC(C)CSCCc1ccc(cc1)O 62a_100009816426_100000748023 [1,1,0,0,0,0|1,0,0]=3 4603 B15R1.26 CCC(O)CNCCc1ccc(cc1)Br 2230a_100000755846_100011218378 [1,1,0,0,0,0|1,0,0]=3 4604 B15R1.26 CCC(O)CNCCc1ccc(cc1)Br 2230a_100011218483_100011740612 [1,1,0,0,0,0|1,0,0]=3 4605 B15R1.26 CCC(O)CNCCc1ccc(cc1)Br 34a_100000755846_100011218378 [1,1,0,0,0,0|1,0,0]=3 4606 B15R1.26 CCC(O)CNCCc1ccc(cc1)C 2230a_100000705350_100011218378 [1,1,0,0,0,0|1,0,0]=3 4607 B15R1.26 CCC(O)CNCCc1ccc(cc1)C 2230a_100011218483_100011713686 [1,1,0,0,0,0|1,0,0]=3 4608 B15R1.26 CCC(O)CNCCc1ccc(cc1)C 34a_100000705350_100011218378 [1,1,0,0,0,0|1,0,0]=3 4609 B15R1.26 CCC(O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011218378 [1,1,0,0,0,0|1,0,0]=3 4610 B15R1.26 CCC(O)CNCCc1ccc(cc1)Cl 2230a_100011218483_100011713675 [1,1,0,0,0,0|1,0,0]=3 4611 B15R1.26 CCC(O)CNCCc1ccc(cc1)Cl 34a_100000185265_100011218378 [1,1,0,0,0,0|1,0,0]=3 4612 B15R1.26 CCC(O)CNCCc1ccc(cc1)F 2230a_100000199005_100011218378 [1,1,0,0,0,0|1,0,0]=3 4613 B15R1.26 CCC(O)CNCCc1ccc(cc1)F 2230a_100011218483_100011217392 [1,1,0,0,0,0|1,0,0]=3 4614 B15R1.26 CCC(O)CNCCc1ccc(cc1)F 34a_100000199005_100011218378 [1,1,0,0,0,0|1,0,0]=3 4615 B15R1.26 CCC(O)CNCCc1ccc(cc1)O 2230a_100011218483_100009816426 [1,1,0,0,0,0|0,0,0]=2 4616 B15R1.26 CCC(O)CNCCc1ccc(cc1)O 34a_100000743037_100011218378 [1,1,0,0,0,0|0,0,0]=2 4617 B15R1.26 CCC(O)CNN=Cc1ccc(cc1)O 4a_100015206393_100000185832 [1,1,0,0,0,0|1,0,1]=4 4618 B15R1.26 CCC(O)COCCc1ccc(cc1)Br 34a_100000766406_100011218378 [1,1,0,0,0,0|2,0,0]=4 4619 B15R1.26 CCC(O)COCCc1ccc(cc1)Br 7a_100000766406_100011218378 [1,1,0,0,0,0|2,0,0]=4 4620 B15R1.26 CCC(O)COCCc1ccc(cc1)C 34a_100000756670_100011218378 [1,1,0,0,0,0|2,0,0]=4 4621 B15R1.26 CCC(O)COCCc1ccc(cc1)C 7a_100000756670_100011218378 [1,1,0,0,0,0|2,0,0]=4 4622 B15R1.26 CCC(O)COCCc1ccc(cc1)Cl 34a_100011219627_100011218378 [1,1,0,0,0,0|2,0,0]=4 4623 B15R1.26 CCC(O)COCCc1ccc(cc1)Cl 7a_100011219627_100011218378 [1,1,0,0,0,0|2,0,0]=4 4624 B15R1.26 CCC(O)COCCc1ccc(cc1)F 34a_100000754732_100011218378 [1,1,0,0,0,0|2,0,0]=4 4625 B15R1.26 CCC(O)COCCc1ccc(cc1)F 7a_100000754732_100011218378 [1,1,0,0,0,0|2,0,0]=4 4626 B15R1.26 CCC(O)COCCc1ccc(cc1)I 34a_100012291149_100011218378 [1,1,0,0,0,0|2,0,0]=4 4627 B15R1.26 CCC(O)COCCc1ccc(cc1)I 7a_100012291149_100011218378 [1,1,0,0,0,0|2,0,0]=4 4628 B15R1.26 CCC(O)COCCc1ccc(cc1)N 34a_100011204434_100011218378 [1,1,0,0,0,0|2,0,0]=4 4629 B15R1.26 CCC(O)CSCCc1ccc(cc1)Br 62a_100011218378_100011740612 [1,1,0,0,0,0|2,0,0]=4 4630 B15R1.26 CCC(O)CSCCc1ccc(cc1)Br 62a_100011740612_100011218378 [1,1,0,0,0,0|2,0,0]=4 4631 B15R1.26 CCC(O)CSCCc1ccc(cc1)C 62a_100011218378_100011713686 [1,1,0,0,0,0|2,0,0]=4 4632 B15R1.26 CCC(O)CSCCc1ccc(cc1)C 62a_100011713686_100011218378 [1,1,0,0,0,0|2,0,0]=4 4633 B15R1.26 CCC(O)CSCCc1ccc(cc1)Cl 62a_100011218378_100011713675 [1,1,0,0,0,0|2,0,0]=4 4634 B15R1.26 CCC(O)CSCCc1ccc(cc1)Cl 62a_100011713675_100011218378 [1,1,0,0,0,0|2,0,0]=4 4635 B15R1.26 CCC(O)CSCCc1ccc(cc1)F 62a_100011217392_100011218378 [1,1,0,0,0,0|2,0,0]=4 4636 B15R1.26 CCC(O)CSCCc1ccc(cc1)F 62a_100011218378_100011217392 [1,1,0,0,0,0|2,0,0]=4 4637 B15R1.26 CCC(O)CSCCc1ccc(cc1)O 62a_100009816426_100011218378 [1,1,0,0,0,0|1,0,0]=3 4638 B15R1.26 CCC(O)CSCCc1ccc(cc1)O 62a_100011218378_100009816426 [1,1,0,0,0,0|1,0,0]=3 4639 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)Br 2230a_100000755846_100009816398 [1,1,0,0,0,0|1,0,0]=3 4640 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)Br 34a_100000755846_100009816398 [1,1,0,0,0,0|1,0,0]=3 4641 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)C 2230a_100000705350_100009816398 [1,1,0,0,0,0|1,0,0]=3 4642 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)C 34a_100000705350_100009816398 [1,1,0,0,0,0|1,0,0]=3 4643 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)Cl 2230a_100000185265_100009816398 [1,1,0,0,0,0|1,0,0]=3 4644 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)Cl 34a_100000185265_100009816398 [1,1,0,0,0,0|1,0,0]=3 4645 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)F 2230a_100000199005_100009816398 [1,1,0,0,0,0|1,0,0]=3 4646 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)F 34a_100000199005_100009816398 [1,1,0,0,0,0|1,0,0]=3 4647 B15R1.26 CC[C@H](C)CNCCc1ccc(cc1)O 34a_100000743037_100009816398 [1,1,0,0,0,0|0,0,0]=2 4648 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Br 34a_100000766406_100009816398 [1,1,0,0,0,0|2,0,0]=4 4649 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Br 7a_100000766406_100009816398 [1,1,0,0,0,0|2,0,0]=4 4650 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Br 7a_100009816381_100011740612 [1,1,0,0,0,0|2,0,0]=4 4651 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)C 34a_100000756670_100009816398 [1,1,0,0,0,0|2,0,0]=4 4652 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)C 7a_100000756670_100009816398 [1,1,0,0,0,0|2,0,0]=4 4653 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)C 7a_100009816381_100011713686 [1,1,0,0,0,0|2,0,0]=4 4654 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Cl 34a_100011219627_100009816398 [1,1,0,0,0,0|2,0,0]=4 4655 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Cl 7a_100009816381_100011713675 [1,1,0,0,0,0|2,0,0]=4 4656 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Cl 7a_100011219627_100009816398 [1,1,0,0,0,0|2,0,0]=4 4657 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)F 34a_100000754732_100009816398 [1,1,0,0,0,0|2,0,0]=4 4658 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)F 7a_100000754732_100009816398 [1,1,0,0,0,0|2,0,0]=4 4659 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)F 7a_100009816381_100011217392 [1,1,0,0,0,0|2,0,0]=4 4660 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)I 34a_100012291149_100009816398 [1,1,0,0,0,0|2,0,0]=4 4661 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)I 7a_100012291149_100009816398 [1,1,0,0,0,0|2,0,0]=4 4662 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)N 34a_100011204434_100009816398 [1,1,0,0,0,0|2,0,0]=4 4663 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)O 7a_100009816381_100009816426 [1,1,0,0,0,0|1,0,0]=3 4664 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)Br 62a_100009816398_100011740612 [1,1,0,0,0,0|2,0,0]=4 4665 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)Br 62a_100011740612_100009816398 [1,1,0,0,0,0|2,0,0]=4 4666 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)C 62a_100009816398_100011713686 [1,1,0,0,0,0|2,0,0]=4 4667 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)C 62a_100011713686_100009816398 [1,1,0,0,0,0|2,0,0]=4 4668 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)Cl 62a_100009816398_100011713675 [1,1,0,0,0,0|2,0,0]=4 4669 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)Cl 62a_100011713675_100009816398 [1,1,0,0,0,0|2,0,0]=4 4670 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)F 62a_100009816398_100011217392 [1,1,0,0,0,0|2,0,0]=4 4671 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)F 62a_100011217392_100009816398 [1,1,0,0,0,0|2,0,0]=4 4672 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)O 62a_100009816398_100009816426 [1,1,0,0,0,0|1,0,0]=3 4673 B15R1.26 CC[C@H](C)CSCCc1ccc(cc1)O 62a_100009816426_100009816398 [1,1,0,0,0,0|1,0,0]=3 4674 B15R1.26 CNC(=O)CNCCc1ccc(cc1)O 2230a_100000693194_100009816426 [1,1,0,0,0,0|1,0,1]=4 4675 B15R1.26 CNC(=O)CNCCc1ccc(cc1)O 34a_100000743037_100000183359 [1,1,0,0,0,0|1,0,1]=4 4676 B15R1.26 COC(=O)CNCCc1ccc(cc1)O 34a_100000743037_100000747449 [1,1,0,0,0,0|1,0,1]=4 4677 B15R1.26 CO[C@H](C)CNCCc1ccc(cc1)Br 2230a_100020591295_100011740612 [1,1,0,0,0,0|2,0,0]=4 4678 B15R1.26 CO[C@H](C)CNCCc1ccc(cc1)C 2230a_100020591295_100011713686 [1,1,0,0,0,0|2,0,0]=4 4679 B15R1.26 CO[C@H](C)CNCCc1ccc(cc1)Cl 2230a_100020591295_100011713675 [1,1,0,0,0,0|2,0,0]=4 4680 B15R1.26 CO[C@H](C)CNCCc1ccc(cc1)F 2230a_100020591295_100011217392 [1,1,0,0,0,0|2,0,0]=4 4681 B15R1.26 CO[C@H](C)CNCCc1ccc(cc1)O 2230a_100020591295_100009816426 [1,1,0,0,0,0|1,0,0]=3 4682 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)Br 2230a_100000755846_100000059175 [1,1,0,0,0,0|2,0,0]=4 4683 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)Br 34a_100000755846_100000059175 [1,1,0,0,0,0|2,0,0]=4 4684 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000059175 [1,1,0,0,0,0|2,0,0]=4 4685 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)Cl 34a_100000185265_100000059175 [1,1,0,0,0,0|2,0,0]=4 4686 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)F 2230a_100000199005_100000059175 [1,1,0,0,0,0|2,0,0]=4 4687 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)F 34a_100000199005_100000059175 [1,1,0,0,0,0|2,0,0]=4 4688 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)O 34a_100000743037_100000059175 [1,1,0,0,0,0|1,0,0]=3 4689 B15R1.26 C[C@@H](CO)CSCCc1ccc(cc1)O 62a_100000059175_100009816426 [1,1,0,0,0,0|2,0,0]=4 4690 B15R1.26 C[C@@H](CO)CSCCc1ccc(cc1)O 62a_100009816426_100000059175 [1,1,0,0,0,0|2,0,0]=4 4691 B15R1.26 Cc1ccc(cc1)CCNCC(C)CO 34a_100000744482_100011713686 [1,1,0,0,0,0|2,0,0]=4 4692 B15R1.26 Cc1ccc(cc1)CCNCC(O)CO 2230a_100000705350_100011219619 [1,1,0,0,0,0|2,0,0]=4 4693 B15R1.26 Cc1ccc(cc1)CCNCC(O)CO 34a_100000705350_100011219619 [1,1,0,0,0,0|2,0,0]=4 4694 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](C)CO 2230a_100000705350_100000059175 [1,1,0,0,0,0|2,0,0]=4 4695 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](C)CO 34a_100000705350_100000059175 [1,1,0,0,0,0|2,0,0]=4 4696 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](F)CO 34a_100015665980_100011713686 [1,1,0,0,0,0|2,0,0]=4 4697 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](O)CF 2230a_100000705350_100015614560 [1,1,0,0,0,0|2,0,0]=4 4698 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](O)CF 34a_100000705350_100015614560 [1,1,0,0,0,0|2,0,0]=4 4699 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](O)CO 2230a_100000705350_100009815848 [1,1,0,0,0,0|2,0,0]=4 4700 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](O)CO 34a_100000705350_100009815848 [1,1,0,0,0,0|2,0,0]=4 4701 B15R1.26 Cc1ccc(cc1)CCNC[C@H](O)CO 2230a_100020644852_100011713686 [1,1,0,0,0,0|2,0,0]=4 4702 B15R1.26 OCC(O)CNCCc1ccc(cc1)Br 2230a_100000755846_100011219619 [1,1,0,0,0,0|2,0,0]=4 4703 B15R1.26 OCC(O)CNCCc1ccc(cc1)Br 34a_100000755846_100011219619 [1,1,0,0,0,0|2,0,0]=4 4704 B15R1.26 OCC(O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011219619 [1,1,0,0,0,0|2,0,0]=4 4705 B15R1.26 OCC(O)CNCCc1ccc(cc1)Cl 34a_100000185265_100011219619 [1,1,0,0,0,0|2,0,0]=4 4706 B15R1.26 OCC(O)CNCCc1ccc(cc1)F 2230a_100000199005_100011219619 [1,1,0,0,0,0|2,0,0]=4 4707 B15R1.26 OCC(O)CNCCc1ccc(cc1)F 34a_100000199005_100011219619 [1,1,0,0,0,0|2,0,0]=4 4708 B15R1.26 OCC(O)CNCCc1ccc(cc1)O 34a_100000743037_100011219619 [1,1,0,0,0,0|1,0,0]=3 4709 B15R1.26 OCC(O)CSCCc1ccc(cc1)O 62a_100009816426_100011219619 [1,1,0,0,0,0|2,0,0]=4 4710 B15R1.26 OCC(O)CSCCc1ccc(cc1)O 62a_100011219619_100009816426 [1,1,0,0,0,0|2,0,0]=4 4711 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)Br 2230a_100020644852_100011740612 [1,1,0,0,0,0|2,0,0]=4 4712 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)Cl 2230a_100020644852_100011713675 [1,1,0,0,0,0|2,0,0]=4 4713 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)F 2230a_100020644852_100011217392 [1,1,0,0,0,0|2,0,0]=4 4714 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)O 2230a_100020644852_100009816426 [1,1,0,0,0,0|1,0,0]=3 4715 B15R1.26 OC[C@H](F)CNCCc1ccc(cc1)Br 34a_100015665980_100011740612 [1,1,0,0,0,0|2,0,0]=4 4716 B15R1.26 OC[C@H](F)CNCCc1ccc(cc1)Cl 34a_100015665980_100011713675 [1,1,0,0,0,0|2,0,0]=4 4717 B15R1.26 OC[C@H](F)CNCCc1ccc(cc1)F 34a_100015665980_100011217392 [1,1,0,0,0,0|2,0,0]=4 4718 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Br 2230a_100000755846_100009815848 [1,1,0,0,0,0|2,0,0]=4 4719 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Br 34a_100000755846_100009815848 [1,1,0,0,0,0|2,0,0]=4 4720 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100009815848 [1,1,0,0,0,0|2,0,0]=4 4721 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Cl 34a_100000185265_100009815848 [1,1,0,0,0,0|2,0,0]=4 4722 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)F 2230a_100000199005_100009815848 [1,1,0,0,0,0|2,0,0]=4 4723 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)F 34a_100000199005_100009815848 [1,1,0,0,0,0|2,0,0]=4 4724 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)O 34a_100000743037_100009815848 [1,1,0,0,0,0|1,0,0]=3 4725 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)O 62a_100009815848_100009816426 [1,1,0,0,0,0|2,0,0]=4 4726 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)O 62a_100009816426_100009815848 [1,1,0,0,0,0|2,0,0]=4 4727 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)Br 2230a_100000755846_100015614560 [1,1,0,0,0,0|2,0,0]=4 4728 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)Br 34a_100000755846_100015614560 [1,1,0,0,0,0|2,0,0]=4 4729 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)Cl 2230a_100000185265_100015614560 [1,1,0,0,0,0|2,0,0]=4 4730 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)Cl 34a_100000185265_100015614560 [1,1,0,0,0,0|2,0,0]=4 4731 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)F 2230a_100000199005_100015614560 [1,1,0,0,0,0|2,0,0]=4 4732 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)F 34a_100000199005_100015614560 [1,1,0,0,0,0|2,0,0]=4 4733 B15R1.26 Oc1ccc(cc1)CCNC[C@@H](O)CF 34a_100000743037_100015614560 [1,1,0,0,0,0|1,0,0]=3 4734 B15R1.26 Oc1ccc(cc1)CCSC[C@@H](O)CF 62a_100009816426_100015614560 [1,1,0,0,0,0|2,0,0]=4 4735 B15R1.26 Oc1ccc(cc1)CCSC[C@@H](O)CF 62a_100015614560_100009816426 [1,1,0,0,0,0|2,0,0]=4 4736 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000688953 [1,1,0,0,0,0|0,0,2]=4 4737 B15R1.128 C#CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000688953 [1,1,0,0,0,0|0,0,2]=4 4738 B15R1.128 C/C=C/CNC(C)Cc1ccc(cc1)O 34a_100102634573_100102629194 [1,1,0,0,0,0|0,0,2]=4 4739 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000754431 [1,1,0,0,0,0|0,0,2]=4 4740 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 270004a_100015191253_100011218180 [1,1,0,0,0,0|0,0,2]=4 4741 B15R1.128 C=CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000754431 [1,1,0,0,0,0|0,0,2]=4 4742 B15R1.128 CC#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000748600 [1,1,0,0,0,0|0,0,2]=4 4743 B15R1.128 CC#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000748600 [1,1,0,0,0,0|0,0,2]=4 4744 B15R1.128 CC(Cc1ccc(cc1)Br)NCCCF 270004a_100015189416_100000691760 [1,1,0,0,0,0|2,0,0]=4 4745 B15R1.128 CC(Cc1ccc(cc1)Br)NCCCO 270004a_100000182051_100000691760 [1,1,0,0,0,0|2,0,0]=4 4746 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCCF 270004a_100015189416_100000747806 [1,1,0,0,0,0|2,0,0]=4 4747 B15R1.128 CC(Cc1ccc(cc1)Cl)NCCCO 270004a_100000182051_100000747806 [1,1,0,0,0,0|2,0,0]=4 4748 B15R1.128 CC(Cc1ccc(cc1)F)NCCCF 270004a_100015189416_100000745281 [1,1,0,0,0,0|2,0,0]=4 4749 B15R1.128 CC(Cc1ccc(cc1)F)NCCCO 270004a_100000182051_100000745281 [1,1,0,0,0,0|2,0,0]=4 4750 B15R1.128 CC(Cc1ccc(cc1)O)NCCC#N 2230a_100102634573_100011215226 [1,1,0,0,0,0|1,0,1]=4 4751 B15R1.128 CC(Cc1ccc(cc1)O)NCCC#N 270004a_100000720768_100011218180 [1,1,0,0,0,0|1,0,1]=4 4752 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 2230a_100102634573_100011934791 [1,1,0,0,0,0|1,0,0]=3 4753 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 270004a_100015189416_100011218180 [1,1,0,0,0,0|1,0,0]=3 4754 B15R1.128 CC(Cc1ccc(cc1)O)NCCCF 34a_100102634573_100011934791 [1,1,0,0,0,0|1,0,0]=3 4755 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 2230a_100102634573_100000230001 [1,1,0,0,0,0|1,0,0]=3 4756 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 270004a_100000182051_100011218180 [1,1,0,0,0,0|1,0,0]=3 4757 B15R1.128 CC(Cc1ccc(cc1)O)NCCCO 34a_100102634573_100000230001 [1,1,0,0,0,0|1,0,0]=3 4758 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000070051 [1,1,0,0,0,0|0,0,2]=4 4759 B15R1.128 CC=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000070051 [1,1,0,0,0,0|0,0,2]=4 4760 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210326 [1,1,0,0,0,0|1,0,1]=4 4761 B15R1.128 CCCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011218191 [1,1,0,0,0,0|2,0,0]=4 4762 B15R1.128 CCCCCC(C)Sc1ccc(cc1)O 62a_200011218191_100000185759 [1,1,0,0,0,0|2,0,0]=4 4763 B15R1.128 CCCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210326 [1,1,0,0,0,0|2,0,0]=4 4764 B15R1.128 CCCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210215 [1,1,0,0,0,0|2,0,0]=4 4765 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 11a_100000102301_100000198978 [1,1,0,0,0,0|1,0,1]=4 4766 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 240690a_100000102301_100000198978 [1,1,0,0,0,0|1,0,1]=4 4767 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 527a_100000102301_100000198978 [1,1,0,0,0,0|1,0,1]=4 4768 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 11a_100000102301_100000212244 [1,1,0,0,0,0|1,0,1]=4 4769 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 240690a_100000102301_100000212244 [1,1,0,0,0,0|1,0,1]=4 4770 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 527a_100000102301_100000212244 [1,1,0,0,0,0|1,0,1]=4 4771 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 11a_100000102301_100000211027 [1,1,0,0,0,0|1,0,1]=4 4772 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000102301_100000211027 [1,1,0,0,0,0|1,0,1]=4 4773 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 527a_100000102301_100000211027 [1,1,0,0,0,0|1,0,1]=4 4774 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 11a_100000102301_100000210951 [1,1,0,0,0,0|1,0,1]=4 4775 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 1626a_100000102301_100000210951 [1,1,0,0,0,0|1,0,1]=4 4776 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 240690a_100000102301_100000210951 [1,1,0,0,0,0|1,0,1]=4 4777 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 527a_100000102301_100000210951 [1,1,0,0,0,0|1,0,1]=4 4778 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 11a_100000102301_100000688869 [1,1,0,0,0,0|1,0,1]=4 4779 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 1626a_100000102301_100000688869 [1,1,0,0,0,0|1,0,1]=4 4780 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 240690a_100000102301_100000688869 [1,1,0,0,0,0|1,0,1]=4 4781 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 527a_100000102301_100000688869 [1,1,0,0,0,0|1,0,1]=4 4782 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 1626a_100000102301_100000198540 [1,1,0,0,0,0|0,0,1]=3 4783 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 240690a_100000102301_100000198540 [1,1,0,0,0,0|0,0,1]=3 4784 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 527a_100000102301_100000198540 [1,1,0,0,0,0|0,0,1]=3 4785 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000102301 [1,1,0,0,0,0|1,0,1]=4 4786 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)O 271570a_203496583355_200000163291 [1,1,0,0,0,0|1,0,1]=4 4787 B15R1.128 CCCCNC(C)Cc1ccc(cc1)Br 270004a_100000102301_100000691760 [1,1,0,0,0,0|1,0,0]=3 4788 B15R1.128 CCCCNC(C)Cc1ccc(cc1)C 270004a_100000102301_100000751045 [1,1,0,0,0,0|1,0,0]=3 4789 B15R1.128 CCCCNC(C)Cc1ccc(cc1)Cl 270004a_100000102301_100000747806 [1,1,0,0,0,0|1,0,0]=3 4790 B15R1.128 CCCCNC(C)Cc1ccc(cc1)F 270004a_100000102301_100000745281 [1,1,0,0,0,0|1,0,0]=3 4791 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210211 [1,1,0,0,0,0|0,0,0]=2 4792 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 270004a_100000102301_100011218180 [1,1,0,0,0,0|0,0,0]=2 4793 B15R1.128 CCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210210 [1,1,0,0,0,0|0,0,0]=2 4794 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210210 [1,1,0,0,0,0|2,0,0]=4 4795 B15R1.128 CCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210211 [1,1,0,0,0,0|2,0,0]=4 4796 B15R1.128 CCCNNC(=O)Cc1ccc(cc1)O 22a_100000740057_100000198540 [1,1,0,0,0,0|1,0,1]=4 4797 B15R1.128 COCCNC(=O)Cc1ccc(cc1)O 1626a_100000209980_100000198540 [1,1,0,0,0,0|1,0,1]=4 4798 B15R1.128 COCCNC(=O)Cc1ccc(cc1)O 240690a_100000209980_100000198540 [1,1,0,0,0,0|1,0,1]=4 4799 B15R1.128 COCCNC(=O)Cc1ccc(cc1)O 527a_100000209980_100000198540 [1,1,0,0,0,0|1,0,1]=4 4800 B15R1.128 COCCNC(C)Cc1ccc(cc1)Br 270004a_100000209980_100000691760 [1,1,0,0,0,0|2,0,0]=4 4801 B15R1.128 COCCNC(C)Cc1ccc(cc1)C 270004a_100000209980_100000751045 [1,1,0,0,0,0|2,0,0]=4 4802 B15R1.128 COCCNC(C)Cc1ccc(cc1)Cl 270004a_100000209980_100000747806 [1,1,0,0,0,0|2,0,0]=4 4803 B15R1.128 COCCNC(C)Cc1ccc(cc1)F 270004a_100000209980_100000745281 [1,1,0,0,0,0|2,0,0]=4 4804 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011201679 [1,1,0,0,0,0|1,0,0]=3 4805 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 270004a_100000209980_100011218180 [1,1,0,0,0,0|1,0,0]=3 4806 B15R1.128 COCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011201679 [1,1,0,0,0,0|1,0,0]=3 4807 B15R1.128 CSCCNC(=O)Cc1ccc(cc1)O 1626a_100020590264_100000198540 [1,1,0,0,0,0|1,0,1]=4 4808 B15R1.128 CSCCNC(=O)Cc1ccc(cc1)O 240690a_100020590264_100000198540 [1,1,0,0,0,0|1,0,1]=4 4809 B15R1.128 CSCCNC(=O)Cc1ccc(cc1)O 527a_100020590264_100000198540 [1,1,0,0,0,0|1,0,1]=4 4810 B15R1.128 CSCCNC(C)Cc1ccc(cc1)Br 270004a_100020590264_100000691760 [1,1,0,0,0,0|2,0,0]=4 4811 B15R1.128 CSCCNC(C)Cc1ccc(cc1)C 270004a_100020590264_100000751045 [1,1,0,0,0,0|2,0,0]=4 4812 B15R1.128 CSCCNC(C)Cc1ccc(cc1)Cl 270004a_100020590264_100000747806 [1,1,0,0,0,0|2,0,0]=4 4813 B15R1.128 CSCCNC(C)Cc1ccc(cc1)F 270004a_100020590264_100000745281 [1,1,0,0,0,0|2,0,0]=4 4814 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000751147 [1,1,0,0,0,0|1,0,0]=3 4815 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 270004a_100020590264_100011218180 [1,1,0,0,0,0|1,0,0]=3 4816 B15R1.128 CSCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000212216 [1,1,0,0,0,0|1,0,0]=3 4817 B15R1.128 Cc1ccc(cc1)CC(C)NCCCF 270004a_100015189416_100000751045 [1,1,0,0,0,0|2,0,0]=4 4818 B15R1.128 Cc1ccc(cc1)CC(C)NCCCO 270004a_100000182051_100000751045 [1,1,0,0,0,0|2,0,0]=4 4819 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCF 1626a_100015189416_100000198540 [1,1,0,0,0,0|1,0,1]=4 4820 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCF 240690a_100015189416_100000198540 [1,1,0,0,0,0|1,0,1]=4 4821 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCF 527a_100015189416_100000198540 [1,1,0,0,0,0|1,0,1]=4 4822 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCO 240690a_100000182051_100000198540 [1,1,0,0,0,0|1,0,1]=4 4823 B15R1.128 O=C(Cc1ccc(cc1)O)NCCCO 527a_100000182051_100000198540 [1,1,0,0,0,0|1,0,1]=4 4824 B15R1.139 C#CCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000688953 [1,1,0,0,0,0|0,0,2]=4 4825 B15R1.139 C#CCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000730999 [1,1,0,0,0,0|0,0,2]=4 4826 B15R1.139 C#CCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000688953 [1,1,0,0,0,0|0,0,2]=4 4827 B15R1.139 C/C=C/CN(C)CCc1ccc(cc1)O 269982a_100016989440_100102629194 [1,1,0,0,0,0|0,0,2]=4 4828 B15R1.139 C/C=C/CN(C)CCc1ccc(cc1)O 34a_100016989440_100102629194 [1,1,0,0,0,0|0,0,2]=4 4829 B15R1.139 C=CCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000754431 [1,1,0,0,0,0|0,0,2]=4 4830 B15R1.139 C=CCCN(C)CCc1ccc(cc1)O 2230a_100020639649_100009816426 [1,1,0,0,0,0|0,0,2]=4 4831 B15R1.139 C=CCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000754431 [1,1,0,0,0,0|0,0,2]=4 4832 B15R1.139 C=CCCN(C)CCc1ccc(cc1)O 269982a_100020639649_100009816426 [1,1,0,0,0,0|0,0,2]=4 4833 B15R1.139 C=CCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000754431 [1,1,0,0,0,0|0,0,2]=4 4834 B15R1.139 CC#CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000748600 [1,1,0,0,0,0|0,0,2]=4 4835 B15R1.139 CC#CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000748600 [1,1,0,0,0,0|0,0,2]=4 4836 B15R1.139 CC=CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000070051 [1,1,0,0,0,0|0,0,2]=4 4837 B15R1.139 CC=CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000070051 [1,1,0,0,0,0|0,0,2]=4 4838 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Br 1458a_100000210183_100011740612 [1,1,0,0,0,0|2,0,0]=4 4839 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210211 [1,1,0,0,0,0|2,0,0]=4 4840 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C 1458a_100000210183_100011713686 [1,1,0,0,0,0|2,0,0]=4 4841 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210211 [1,1,0,0,0,0|2,0,0]=4 4842 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Cl 1458a_100000210183_100011713675 [1,1,0,0,0,0|2,0,0]=4 4843 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210211 [1,1,0,0,0,0|2,0,0]=4 4844 B15R1.139 CCCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210211 [1,1,0,0,0,0|2,0,0]=4 4845 B15R1.139 CCCCC(=O)CCc1ccc(cc1)F 1458a_100000210183_100011217392 [1,1,0,0,0,0|2,0,0]=4 4846 B15R1.139 CCCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210211 [1,1,0,0,0,0|2,0,0]=4 4847 B15R1.139 CCCCC(=O)CCc1ccc(cc1)O 1458a_100000210183_100009816426 [1,1,0,0,0,0|1,0,0]=3 4848 B15R1.139 CCCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210211 [1,1,0,0,0,0|1,0,0]=3 4849 B15R1.139 CCCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210211 [1,1,0,0,0,0|2,0,0]=4 4850 B15R1.139 CCCCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210183 [1,1,0,0,0,0|2,0,0]=4 4851 B15R1.139 CCCCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210183 [1,1,0,0,0,0|2,0,0]=4 4852 B15R1.139 CCCCC(C)NCc1ccc(cc1)O 34a_100000185549_200011215066 [1,1,0,0,0,0|2,0,0]=4 4853 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 2230a_100000207549_100011740612 [1,1,0,0,0,0|1,0,0]=3 4854 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210211 [1,1,0,0,0,0|1,0,0]=3 4855 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 269982a_100000207549_100011740612 [1,1,0,0,0,0|1,0,0]=3 4856 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000210211 [1,1,0,0,0,0|1,0,0]=3 4857 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210210 [1,1,0,0,0,0|1,0,0]=3 4858 B15R1.139 CCCCN(C)CCc1ccc(cc1)C 2230a_100000207549_100011713686 [1,1,0,0,0,0|1,0,0]=3 4859 B15R1.139 CCCCN(C)CCc1ccc(cc1)C 269982a_100000207549_100011713686 [1,1,0,0,0,0|1,0,0]=3 4860 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 2230a_100000207549_100011713675 [1,1,0,0,0,0|1,0,0]=3 4861 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210211 [1,1,0,0,0,0|1,0,0]=3 4862 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 269982a_100000207549_100011713675 [1,1,0,0,0,0|1,0,0]=3 4863 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000210211 [1,1,0,0,0,0|1,0,0]=3 4864 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210210 [1,1,0,0,0,0|1,0,0]=3 4865 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 2230a_100000207549_100011217392 [1,1,0,0,0,0|1,0,0]=3 4866 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210211 [1,1,0,0,0,0|1,0,0]=3 4867 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 269982a_100000207549_100011217392 [1,1,0,0,0,0|1,0,0]=3 4868 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000210211 [1,1,0,0,0,0|1,0,0]=3 4869 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210210 [1,1,0,0,0,0|1,0,0]=3 4870 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 2230a_100000207549_100009816426 [1,1,0,0,0,0|0,0,0]=2 4871 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210211 [1,1,0,0,0,0|0,0,0]=2 4872 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 269982a_100000207549_100009816426 [1,1,0,0,0,0|0,0,0]=2 4873 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000210211 [1,1,0,0,0,0|0,0,0]=2 4874 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210210 [1,1,0,0,0,0|0,0,0]=2 4875 B15R1.139 CCCNC(=O)CCc1ccc(cc1)O 240690a_100020643023_100000742835 [1,1,0,0,0,0|2,0,0]=4 4876 B15R1.139 CCCNC(C)CCc1ccc(cc1)O 270004a_100020643023_100000198047 [1,1,0,0,0,0|2,0,0]=4 4877 B15R1.139 CCOCC(=O)CCc1ccc(cc1)O 1458a_100000211967_100009816426 [1,1,0,0,0,0|2,0,0]=4 4878 B15R1.139 CCOCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000739092 [1,1,0,0,0,0|2,0,0]=4 4879 B15R1.139 CCOCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000739092 [1,1,0,0,0,0|2,0,0]=4 4880 B15R1.139 CCOCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000739092 [1,1,0,0,0,0|2,0,0]=4 4881 B15R1.139 CCOCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000739092 [1,1,0,0,0,0|1,0,0]=3 4882 B15R1.139 CCSCC(=O)CCc1ccc(cc1)O 1458a_100000230394_100009816426 [1,1,0,0,0,0|2,0,0]=4 4883 B15R1.139 CN(CCC#N)CCc1ccc(cc1)O 2230a_100000184479_100009816426 [1,1,0,0,0,0|1,0,1]=4 4884 B15R1.139 CN(CCC#N)CCc1ccc(cc1)O 2230a_100016989440_100011215226 [1,1,0,0,0,0|1,0,1]=4 4885 B15R1.139 CN(CCC#N)CCc1ccc(cc1)O 269982a_100016989440_100011215226 [1,1,0,0,0,0|1,0,1]=4 4886 B15R1.139 CN(CCCF)CCc1ccc(cc1)Br 2230a_100000752880_100011934791 [1,1,0,0,0,0|2,0,0]=4 4887 B15R1.139 CN(CCCF)CCc1ccc(cc1)Br 269982a_100000752880_100011934791 [1,1,0,0,0,0|2,0,0]=4 4888 B15R1.139 CN(CCCF)CCc1ccc(cc1)Br 34a_100000752880_100011934791 [1,1,0,0,0,0|2,0,0]=4 4889 B15R1.139 CN(CCCF)CCc1ccc(cc1)Cl 2230a_100000698262_100011934791 [1,1,0,0,0,0|2,0,0]=4 4890 B15R1.139 CN(CCCF)CCc1ccc(cc1)Cl 269982a_100000698262_100011934791 [1,1,0,0,0,0|2,0,0]=4 4891 B15R1.139 CN(CCCF)CCc1ccc(cc1)Cl 34a_100000698262_100011934791 [1,1,0,0,0,0|2,0,0]=4 4892 B15R1.139 CN(CCCF)CCc1ccc(cc1)F 2230a_100102946585_100011934791 [1,1,0,0,0,0|2,0,0]=4 4893 B15R1.139 CN(CCCF)CCc1ccc(cc1)F 269982a_100102946585_100011934791 [1,1,0,0,0,0|2,0,0]=4 4894 B15R1.139 CN(CCCF)CCc1ccc(cc1)F 34a_100102946585_100011934791 [1,1,0,0,0,0|2,0,0]=4 4895 B15R1.139 CN(CCCF)CCc1ccc(cc1)O 2230a_100016989440_100011934791 [1,1,0,0,0,0|1,0,0]=3 4896 B15R1.139 CN(CCCF)CCc1ccc(cc1)O 269982a_100016989440_100011934791 [1,1,0,0,0,0|1,0,0]=3 4897 B15R1.139 CN(CCCF)CCc1ccc(cc1)O 34a_100016989440_100011934791 [1,1,0,0,0,0|1,0,0]=3 4898 B15R1.139 CN(CCCO)CCc1ccc(cc1)Br 2230a_100000213112_100011740612 [1,1,0,0,0,0|2,0,0]=4 4899 B15R1.139 CN(CCCO)CCc1ccc(cc1)Br 2230a_100000752880_100000230001 [1,1,0,0,0,0|2,0,0]=4 4900 B15R1.139 CN(CCCO)CCc1ccc(cc1)Br 269982a_100000213112_100011740612 [1,1,0,0,0,0|2,0,0]=4 4901 B15R1.139 CN(CCCO)CCc1ccc(cc1)Br 269982a_100000752880_100011215043 [1,1,0,0,0,0|2,0,0]=4 4902 B15R1.139 CN(CCCO)CCc1ccc(cc1)Br 34a_100000752880_100000230001 [1,1,0,0,0,0|2,0,0]=4 4903 B15R1.139 CN(CCCO)CCc1ccc(cc1)Cl 2230a_100000213112_100011713675 [1,1,0,0,0,0|2,0,0]=4 4904 B15R1.139 CN(CCCO)CCc1ccc(cc1)Cl 2230a_100000698262_100000230001 [1,1,0,0,0,0|2,0,0]=4 4905 B15R1.139 CN(CCCO)CCc1ccc(cc1)Cl 269982a_100000213112_100011713675 [1,1,0,0,0,0|2,0,0]=4 4906 B15R1.139 CN(CCCO)CCc1ccc(cc1)Cl 269982a_100000698262_100011215043 [1,1,0,0,0,0|2,0,0]=4 4907 B15R1.139 CN(CCCO)CCc1ccc(cc1)Cl 34a_100000698262_100000230001 [1,1,0,0,0,0|2,0,0]=4 4908 B15R1.139 CN(CCCO)CCc1ccc(cc1)F 2230a_100000213112_100011217392 [1,1,0,0,0,0|2,0,0]=4 4909 B15R1.139 CN(CCCO)CCc1ccc(cc1)F 2230a_100102946585_100000230001 [1,1,0,0,0,0|2,0,0]=4 4910 B15R1.139 CN(CCCO)CCc1ccc(cc1)F 269982a_100000213112_100011217392 [1,1,0,0,0,0|2,0,0]=4 4911 B15R1.139 CN(CCCO)CCc1ccc(cc1)F 269982a_100102946585_100011215043 [1,1,0,0,0,0|2,0,0]=4 4912 B15R1.139 CN(CCCO)CCc1ccc(cc1)F 34a_100102946585_100000230001 [1,1,0,0,0,0|2,0,0]=4 4913 B15R1.139 CN(CCCO)CCc1ccc(cc1)O 2230a_100000213112_100009816426 [1,1,0,0,0,0|1,0,0]=3 4914 B15R1.139 CN(CCCO)CCc1ccc(cc1)O 2230a_100016989440_100000230001 [1,1,0,0,0,0|1,0,0]=3 4915 B15R1.139 CN(CCCO)CCc1ccc(cc1)O 269982a_100000213112_100009816426 [1,1,0,0,0,0|1,0,0]=3 4916 B15R1.139 CN(CCCO)CCc1ccc(cc1)O 269982a_100016989440_100011215043 [1,1,0,0,0,0|1,0,0]=3 4917 B15R1.139 CN(CCCO)CCc1ccc(cc1)O 34a_100016989440_100000230001 [1,1,0,0,0,0|1,0,0]=3 4918 B15R1.139 COCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000233755 [1,1,0,0,0,0|2,0,0]=4 4919 B15R1.139 COCCC(=O)CCc1ccc(cc1)O 1458a_100000749529_100009816426 [1,1,0,0,0,0|2,0,0]=4 4920 B15R1.139 COCCN(C)CCc1ccc(cc1)Br 2230a_100000743101_100011740612 [1,1,0,0,0,0|2,0,0]=4 4921 B15R1.139 COCCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100011201679 [1,1,0,0,0,0|2,0,0]=4 4922 B15R1.139 COCCN(C)CCc1ccc(cc1)Br 269982a_100000743101_100011740612 [1,1,0,0,0,0|2,0,0]=4 4923 B15R1.139 COCCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000233755 [1,1,0,0,0,0|2,0,0]=4 4924 B15R1.139 COCCN(C)CCc1ccc(cc1)Br 34a_100000752880_100011201679 [1,1,0,0,0,0|2,0,0]=4 4925 B15R1.139 COCCN(C)CCc1ccc(cc1)C 2230a_100000743101_100011713686 [1,1,0,0,0,0|2,0,0]=4 4926 B15R1.139 COCCN(C)CCc1ccc(cc1)C 269982a_100000743101_100011713686 [1,1,0,0,0,0|2,0,0]=4 4927 B15R1.139 COCCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100011201679 [1,1,0,0,0,0|2,0,0]=4 4928 B15R1.139 COCCN(C)CCc1ccc(cc1)Cl 2230a_100000743101_100011713675 [1,1,0,0,0,0|2,0,0]=4 4929 B15R1.139 COCCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000233755 [1,1,0,0,0,0|2,0,0]=4 4930 B15R1.139 COCCN(C)CCc1ccc(cc1)Cl 269982a_100000743101_100011713675 [1,1,0,0,0,0|2,0,0]=4 4931 B15R1.139 COCCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100011201679 [1,1,0,0,0,0|2,0,0]=4 4932 B15R1.139 COCCN(C)CCc1ccc(cc1)F 2230a_100000743101_100011217392 [1,1,0,0,0,0|2,0,0]=4 4933 B15R1.139 COCCN(C)CCc1ccc(cc1)F 2230a_100102946585_100011201679 [1,1,0,0,0,0|2,0,0]=4 4934 B15R1.139 COCCN(C)CCc1ccc(cc1)F 269982a_100000743101_100011217392 [1,1,0,0,0,0|2,0,0]=4 4935 B15R1.139 COCCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000233755 [1,1,0,0,0,0|2,0,0]=4 4936 B15R1.139 COCCN(C)CCc1ccc(cc1)F 34a_100102946585_100011201679 [1,1,0,0,0,0|2,0,0]=4 4937 B15R1.139 COCCN(C)CCc1ccc(cc1)O 2230a_100000743101_100009816426 [1,1,0,0,0,0|1,0,0]=3 4938 B15R1.139 COCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100011201679 [1,1,0,0,0,0|1,0,0]=3 4939 B15R1.139 COCCN(C)CCc1ccc(cc1)O 269982a_100000743101_100009816426 [1,1,0,0,0,0|1,0,0]=3 4940 B15R1.139 COCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000233755 [1,1,0,0,0,0|1,0,0]=3 4941 B15R1.139 COCCN(C)CCc1ccc(cc1)O 34a_100016989440_100011201679 [1,1,0,0,0,0|1,0,0]=3 4942 B15R1.139 CSCCC(=O)CCc1ccc(cc1)O 1458a_100000174002_100009816426 [1,1,0,0,0,0|2,0,0]=4 4943 B15R1.139 CSCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000751147 [1,1,0,0,0,0|2,0,0]=4 4944 B15R1.139 CSCCN(C)CCc1ccc(cc1)Br 2230a_100000686725_100011740612 [1,1,0,0,0,0|2,0,0]=4 4945 B15R1.139 CSCCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000751147 [1,1,0,0,0,0|2,0,0]=4 4946 B15R1.139 CSCCN(C)CCc1ccc(cc1)Br 269982a_100000686725_100011740612 [1,1,0,0,0,0|2,0,0]=4 4947 B15R1.139 CSCCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000212216 [1,1,0,0,0,0|2,0,0]=4 4948 B15R1.139 CSCCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000212216 [1,1,0,0,0,0|2,0,0]=4 4949 B15R1.139 CSCCN(C)CCc1ccc(cc1)C 2230a_100000686725_100011713686 [1,1,0,0,0,0|2,0,0]=4 4950 B15R1.139 CSCCN(C)CCc1ccc(cc1)C 269982a_100000686725_100011713686 [1,1,0,0,0,0|2,0,0]=4 4951 B15R1.139 CSCCN(C)CCc1ccc(cc1)Cl 2230a_100000686725_100011713675 [1,1,0,0,0,0|2,0,0]=4 4952 B15R1.139 CSCCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000751147 [1,1,0,0,0,0|2,0,0]=4 4953 B15R1.139 CSCCN(C)CCc1ccc(cc1)Cl 269982a_100000686725_100011713675 [1,1,0,0,0,0|2,0,0]=4 4954 B15R1.139 CSCCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000212216 [1,1,0,0,0,0|2,0,0]=4 4955 B15R1.139 CSCCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000212216 [1,1,0,0,0,0|2,0,0]=4 4956 B15R1.139 CSCCN(C)CCc1ccc(cc1)F 2230a_100000686725_100011217392 [1,1,0,0,0,0|2,0,0]=4 4957 B15R1.139 CSCCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000751147 [1,1,0,0,0,0|2,0,0]=4 4958 B15R1.139 CSCCN(C)CCc1ccc(cc1)F 269982a_100000686725_100011217392 [1,1,0,0,0,0|2,0,0]=4 4959 B15R1.139 CSCCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000212216 [1,1,0,0,0,0|2,0,0]=4 4960 B15R1.139 CSCCN(C)CCc1ccc(cc1)F 34a_100102946585_100000212216 [1,1,0,0,0,0|2,0,0]=4 4961 B15R1.139 CSCCN(C)CCc1ccc(cc1)O 2230a_100000686725_100009816426 [1,1,0,0,0,0|1,0,0]=3 4962 B15R1.139 CSCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000751147 [1,1,0,0,0,0|1,0,0]=3 4963 B15R1.139 CSCCN(C)CCc1ccc(cc1)O 269982a_100000686725_100009816426 [1,1,0,0,0,0|1,0,0]=3 4964 B15R1.139 CSCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000212216 [1,1,0,0,0,0|1,0,0]=3 4965 B15R1.139 CSCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000212216 [1,1,0,0,0,0|1,0,0]=3 4966 B15R1.139 Cc1ccc(cc1)CCN(C)CCCO 2230a_100000213112_100011713686 [1,1,0,0,0,0|2,0,0]=4 4967 B15R1.139 Cc1ccc(cc1)CCN(C)CCCO 269982a_100000213112_100011713686 [1,1,0,0,0,0|2,0,0]=4 4968 B15R1.139 O=C(CCCF)CCc1ccc(cc1)O 1458a_100000742835_100011934791 [1,1,0,0,0,0|2,0,0]=4 4969 B15R1.139 O=C(CCCO)CCc1ccc(cc1)O 1458a_100000742835_100011215043 [1,1,0,0,0,0|2,0,0]=4 4970 B15R1.871 C=C(C)CCNCCc1ccc(cc1)Br 2230a_100000755846_100000730704 [1,1,0,0,0,0|1,0,1]=4 4971 B15R1.871 C=C(C)CCNCCc1ccc(cc1)Br 34a_100000755846_100000730704 [1,1,0,0,0,0|1,0,1]=4 4972 B15R1.871 C=C(C)CCNCCc1ccc(cc1)C 2230a_100000705350_100000730704 [1,1,0,0,0,0|1,0,1]=4 4973 B15R1.871 C=C(C)CCNCCc1ccc(cc1)C 34a_100000705350_100000730704 [1,1,0,0,0,0|1,0,1]=4 4974 B15R1.871 C=C(C)CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000730704 [1,1,0,0,0,0|1,0,1]=4 4975 B15R1.871 C=C(C)CCNCCc1ccc(cc1)Cl 34a_100000185265_100000730704 [1,1,0,0,0,0|1,0,1]=4 4976 B15R1.871 C=C(C)CCNCCc1ccc(cc1)F 2230a_100000199005_100000730704 [1,1,0,0,0,0|1,0,1]=4 4977 B15R1.871 C=C(C)CCNCCc1ccc(cc1)F 34a_100000199005_100000730704 [1,1,0,0,0,0|1,0,1]=4 4978 B15R1.871 C=C(C)CCNCCc1ccc(cc1)O 34a_100000743037_100000730704 [1,1,0,0,0,0|0,0,1]=3 4979 B15R1.871 C=C(C)CCSCCc1ccc(cc1)O 62a_100000730704_100009816426 [1,1,0,0,0,0|1,0,1]=4 4980 B15R1.871 C=C(C)CCSCCc1ccc(cc1)O 62a_100009816426_100000730704 [1,1,0,0,0,0|1,0,1]=4 4981 B15R1.871 CC(=CCNCCc1ccc(cc1)O)C 34a_100000743037_100000761012 [1,1,0,0,0,0|0,0,2]=4 4982 B15R1.871 CC(=O)CCOCCc1ccc(cc1)O 7a_100000759926_100009816426 [1,1,0,0,0,0|1,0,1]=4 4983 B15R1.871 CC(=O)CCSCCc1ccc(cc1)O 62a_100000053229_100009816426 [1,1,0,0,0,0|1,0,1]=4 4984 B15R1.871 CC(=O)CCSCCc1ccc(cc1)O 62a_100009816426_100000053229 [1,1,0,0,0,0|1,0,1]=4 4985 B15R1.871 CC(=O)OCNCCc1ccc(cc1)O 34a_100000743037_100009813279 [1,1,0,0,0,0|1,0,1]=4 4986 B15R1.871 CC(Br)CCOCCc1ccc(cc1)Br 34a_100009893172_100011740612 [1,1,0,0,0,0|2,0,0]=4 4987 B15R1.871 CC(Br)CCOCCc1ccc(cc1)Cl 34a_100009893172_100011713675 [1,1,0,0,0,0|2,0,0]=4 4988 B15R1.871 CC(Br)CCOCCc1ccc(cc1)F 34a_100009893172_100011217392 [1,1,0,0,0,0|2,0,0]=4 4989 B15R1.871 CC(C)CCCCNc1ccc(cc1)O 34a_100000185829_100011216152 [1,1,0,0,0,0|2,0,0]=4 4990 B15R1.871 CC(C)CCCCSc1ccc(cc1)O 62a_100011216152_100000185759 [1,1,0,0,0,0|2,0,0]=4 4991 B15R1.871 CC(C)CCCNCc1ccc(cc1)O 34a_100000185549_100011214892 [1,1,0,0,0,0|2,0,0]=4 4992 B15R1.871 CC(C)CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210312 [1,1,0,0,0,0|1,0,0]=3 4993 B15R1.871 CC(C)CCNCCc1ccc(cc1)Br 269862a_100000755846_100000185833 [1,1,0,0,0,0|1,0,0]=3 4994 B15R1.871 CC(C)CCNCCc1ccc(cc1)Br 34a_100000755846_100000210312 [1,1,0,0,0,0|1,0,0]=3 4995 B15R1.871 CC(C)CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210312 [1,1,0,0,0,0|1,0,0]=3 4996 B15R1.871 CC(C)CCNCCc1ccc(cc1)Cl 269862a_100000185265_100000185833 [1,1,0,0,0,0|1,0,0]=3 4997 B15R1.871 CC(C)CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210312 [1,1,0,0,0,0|1,0,0]=3 4998 B15R1.871 CC(C)CCNCCc1ccc(cc1)F 2230a_100000199005_100000210312 [1,1,0,0,0,0|1,0,0]=3 4999 B15R1.871 CC(C)CCNCCc1ccc(cc1)F 269862a_100000199005_100000185833 [1,1,0,0,0,0|1,0,0]=3 5000 B15R1.871 CC(C)CCNCCc1ccc(cc1)F 34a_100000199005_100000210312 [1,1,0,0,0,0|1,0,0]=3 5001 B15R1.871 CC(C)CCNCCc1ccc(cc1)O 269862a_100000743037_100000185833 [1,1,0,0,0,0|0,0,0]=2 5002 B15R1.871 CC(C)CCNCCc1ccc(cc1)O 34a_100000743037_100000210312 [1,1,0,0,0,0|0,0,0]=2 5003 B15R1.871 CC(C)CCOCCc1ccc(cc1)Br 34a_100000210254_100011740612 [1,1,0,0,0,0|2,0,0]=4 5004 B15R1.871 CC(C)CCOCCc1ccc(cc1)Br 34a_100000766406_100000210312 [1,1,0,0,0,0|2,0,0]=4 5005 B15R1.871 CC(C)CCOCCc1ccc(cc1)Br 7a_100000210254_100011740612 [1,1,0,0,0,0|2,0,0]=4 5006 B15R1.871 CC(C)CCOCCc1ccc(cc1)Br 7a_100000766406_100000210626 [1,1,0,0,0,0|2,0,0]=4 5007 B15R1.871 CC(C)CCOCCc1ccc(cc1)Cl 34a_100000210254_100011713675 [1,1,0,0,0,0|2,0,0]=4 5008 B15R1.871 CC(C)CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210312 [1,1,0,0,0,0|2,0,0]=4 5009 B15R1.871 CC(C)CCOCCc1ccc(cc1)Cl 7a_100000210254_100011713675 [1,1,0,0,0,0|2,0,0]=4 5010 B15R1.871 CC(C)CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210626 [1,1,0,0,0,0|2,0,0]=4 5011 B15R1.871 CC(C)CCOCCc1ccc(cc1)F 34a_100000210254_100011217392 [1,1,0,0,0,0|2,0,0]=4 5012 B15R1.871 CC(C)CCOCCc1ccc(cc1)F 34a_100000754732_100000210312 [1,1,0,0,0,0|2,0,0]=4 5013 B15R1.871 CC(C)CCOCCc1ccc(cc1)F 7a_100000210254_100011217392 [1,1,0,0,0,0|2,0,0]=4 5014 B15R1.871 CC(C)CCOCCc1ccc(cc1)F 7a_100000754732_100000210626 [1,1,0,0,0,0|2,0,0]=4 5015 B15R1.871 CC(C)CCOCCc1ccc(cc1)I 34a_100012291149_100000210312 [1,1,0,0,0,0|2,0,0]=4 5016 B15R1.871 CC(C)CCOCCc1ccc(cc1)I 7a_100012291149_100000210626 [1,1,0,0,0,0|2,0,0]=4 5017 B15R1.871 CC(C)CCOCCc1ccc(cc1)N 34a_100011204434_100000210312 [1,1,0,0,0,0|2,0,0]=4 5018 B15R1.871 CC(C)CCOCCc1ccc(cc1)O 7a_100000210254_100009816426 [1,1,0,0,0,0|1,0,0]=3 5019 B15R1.871 CC(C)CCSCCc1ccc(cc1)Br 62a_100000210312_100011740612 [1,1,0,0,0,0|2,0,0]=4 5020 B15R1.871 CC(C)CCSCCc1ccc(cc1)Br 62a_100011740612_100000210312 [1,1,0,0,0,0|2,0,0]=4 5021 B15R1.871 CC(C)CCSCCc1ccc(cc1)Cl 62a_100000210312_100011713675 [1,1,0,0,0,0|2,0,0]=4 5022 B15R1.871 CC(C)CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210312 [1,1,0,0,0,0|2,0,0]=4 5023 B15R1.871 CC(C)CCSCCc1ccc(cc1)F 62a_100000210312_100011217392 [1,1,0,0,0,0|2,0,0]=4 5024 B15R1.871 CC(C)CCSCCc1ccc(cc1)F 62a_100011217392_100000210312 [1,1,0,0,0,0|2,0,0]=4 5025 B15R1.871 CC(C)CCSCCc1ccc(cc1)O 62a_100000210312_100009816426 [1,1,0,0,0,0|1,0,0]=3 5026 B15R1.871 CC(C)CCSCCc1ccc(cc1)O 62a_100009816426_100000210312 [1,1,0,0,0,0|1,0,0]=3 5027 B15R1.871 CC(C)OCNCCc1ccc(cc1)Br 2230a_100000755846_100000709892 [1,1,0,0,0,0|2,0,0]=4 5028 B15R1.871 CC(C)OCNCCc1ccc(cc1)Br 34a_100000755846_100000709892 [1,1,0,0,0,0|2,0,0]=4 5029 B15R1.871 CC(C)OCNCCc1ccc(cc1)Cl 2230a_100000185265_100000709892 [1,1,0,0,0,0|2,0,0]=4 5030 B15R1.871 CC(C)OCNCCc1ccc(cc1)Cl 34a_100000185265_100000709892 [1,1,0,0,0,0|2,0,0]=4 5031 B15R1.871 CC(C)OCNCCc1ccc(cc1)F 2230a_100000199005_100000709892 [1,1,0,0,0,0|2,0,0]=4 5032 B15R1.871 CC(C)OCNCCc1ccc(cc1)F 34a_100000199005_100000709892 [1,1,0,0,0,0|2,0,0]=4 5033 B15R1.871 CC(C)OCNCCc1ccc(cc1)O 34a_100000743037_100000709892 [1,1,0,0,0,0|1,0,0]=3 5034 B15R1.871 CC(C)OCSCCc1ccc(cc1)O 62a_100000709892_100009816426 [1,1,0,0,0,0|2,0,0]=4 5035 B15R1.871 CC(C)OCSCCc1ccc(cc1)O 62a_100009816426_100000709892 [1,1,0,0,0,0|2,0,0]=4 5036 B15R1.871 CC(O)CCCNCc1ccc(cc1)O 34a_100000185549_200000718107 [1,1,0,0,0,0|2,0,0]=4 5037 B15R1.871 CC(O)CCNCCc1ccc(cc1)Br 2230a_100000755846_100012276601 [1,1,0,0,0,0|1,0,0]=3 5038 B15R1.871 CC(O)CCNCCc1ccc(cc1)Br 2230a_200000755665_100011740612 [1,1,0,0,0,0|1,0,0]=3 5039 B15R1.871 CC(O)CCNCCc1ccc(cc1)Br 34a_100000755846_100012276601 [1,1,0,0,0,0|1,0,0]=3 5040 B15R1.871 CC(O)CCNCCc1ccc(cc1)Cl 2230a_100000185265_100012276601 [1,1,0,0,0,0|1,0,0]=3 5041 B15R1.871 CC(O)CCNCCc1ccc(cc1)Cl 2230a_200000755665_100011713675 [1,1,0,0,0,0|1,0,0]=3 5042 B15R1.871 CC(O)CCNCCc1ccc(cc1)Cl 34a_100000185265_100012276601 [1,1,0,0,0,0|1,0,0]=3 5043 B15R1.871 CC(O)CCNCCc1ccc(cc1)F 2230a_100000199005_100012276601 [1,1,0,0,0,0|1,0,0]=3 5044 B15R1.871 CC(O)CCNCCc1ccc(cc1)F 2230a_200000755665_100011217392 [1,1,0,0,0,0|1,0,0]=3 5045 B15R1.871 CC(O)CCNCCc1ccc(cc1)F 34a_100000199005_100012276601 [1,1,0,0,0,0|1,0,0]=3 5046 B15R1.871 CC(O)CCNCCc1ccc(cc1)O 2230a_200000755665_100009816426 [1,1,0,0,0,0|0,0,0]=2 5047 B15R1.871 CC(O)CCNCCc1ccc(cc1)O 34a_100000743037_100012276601 [1,1,0,0,0,0|0,0,0]=2 5048 B15R1.871 CC(O)CCOCCc1ccc(cc1)Br 34a_100000766406_100012276601 [1,1,0,0,0,0|2,0,0]=4 5049 B15R1.871 CC(O)CCOCCc1ccc(cc1)Br 7a_100000766406_100012276601 [1,1,0,0,0,0|2,0,0]=4 5050 B15R1.871 CC(O)CCOCCc1ccc(cc1)Cl 34a_100011219627_100012276601 [1,1,0,0,0,0|2,0,0]=4 5051 B15R1.871 CC(O)CCOCCc1ccc(cc1)Cl 7a_100011219627_100012276601 [1,1,0,0,0,0|2,0,0]=4 5052 B15R1.871 CC(O)CCOCCc1ccc(cc1)F 34a_100000754732_100012276601 [1,1,0,0,0,0|2,0,0]=4 5053 B15R1.871 CC(O)CCOCCc1ccc(cc1)F 7a_100000754732_100012276601 [1,1,0,0,0,0|2,0,0]=4 5054 B15R1.871 CC(O)CCOCCc1ccc(cc1)I 34a_100012291149_100012276601 [1,1,0,0,0,0|2,0,0]=4 5055 B15R1.871 CC(O)CCOCCc1ccc(cc1)I 7a_100012291149_100012276601 [1,1,0,0,0,0|2,0,0]=4 5056 B15R1.871 CC(O)CCOCCc1ccc(cc1)N 34a_100011204434_100012276601 [1,1,0,0,0,0|2,0,0]=4 5057 B15R1.871 CC(O)CCSCCc1ccc(cc1)Br 62a_100011740612_100012276601 [1,1,0,0,0,0|2,0,0]=4 5058 B15R1.871 CC(O)CCSCCc1ccc(cc1)Br 62a_100012276601_100011740612 [1,1,0,0,0,0|2,0,0]=4 5059 B15R1.871 CC(O)CCSCCc1ccc(cc1)Cl 62a_100011713675_100012276601 [1,1,0,0,0,0|2,0,0]=4 5060 B15R1.871 CC(O)CCSCCc1ccc(cc1)Cl 62a_100012276601_100011713675 [1,1,0,0,0,0|2,0,0]=4 5061 B15R1.871 CC(O)CCSCCc1ccc(cc1)F 62a_100011217392_100012276601 [1,1,0,0,0,0|2,0,0]=4 5062 B15R1.871 CC(O)CCSCCc1ccc(cc1)F 62a_100012276601_100011217392 [1,1,0,0,0,0|2,0,0]=4 5063 B15R1.871 CC(O)CCSCCc1ccc(cc1)O 62a_100009816426_100012276601 [1,1,0,0,0,0|1,0,0]=3 5064 B15R1.871 CC(O)CCSCCc1ccc(cc1)O 62a_100012276601_100009816426 [1,1,0,0,0,0|1,0,0]=3 5065 B15R1.871 CN(C)CCSCCc1ccc(cc1)O 62a_100009816426_100000755713 [1,1,0,0,0,0|2,0,0]=4 5066 B15R1.871 C[C@@H](N)CCOCCc1ccc(cc1)Br 34a_100000706166_100011740612 [1,1,0,0,0,0|2,0,0]=4 5067 B15R1.871 C[C@@H](N)CCOCCc1ccc(cc1)Cl 34a_100000706166_100011713675 [1,1,0,0,0,0|2,0,0]=4 5068 B15R1.871 C[C@@H](N)CCOCCc1ccc(cc1)F 34a_100000706166_100011217392 [1,1,0,0,0,0|2,0,0]=4 5069 B15R1.871 Cc1ccc(cc1)CCNCCC(C)C 2230a_100000705350_100000210312 [1,1,0,0,0,0|1,0,0]=3 5070 B15R1.871 Cc1ccc(cc1)CCNCCC(C)C 269862a_100000705350_100000185833 [1,1,0,0,0,0|1,0,0]=3 5071 B15R1.871 Cc1ccc(cc1)CCNCCC(C)C 34a_100000705350_100000210312 [1,1,0,0,0,0|1,0,0]=3 5072 B15R1.871 Cc1ccc(cc1)CCNCCC(C)O 2230a_100000705350_100012276601 [1,1,0,0,0,0|1,0,0]=3 5073 B15R1.871 Cc1ccc(cc1)CCNCCC(C)O 2230a_200000755665_100011713686 [1,1,0,0,0,0|1,0,0]=3 5074 B15R1.871 Cc1ccc(cc1)CCNCCC(C)O 34a_100000705350_100012276601 [1,1,0,0,0,0|1,0,0]=3 5075 B15R1.871 Cc1ccc(cc1)CCNCOC(C)C 2230a_100000705350_100000709892 [1,1,0,0,0,0|2,0,0]=4 5076 B15R1.871 Cc1ccc(cc1)CCNCOC(C)C 34a_100000705350_100000709892 [1,1,0,0,0,0|2,0,0]=4 5077 B15R1.871 Cc1ccc(cc1)CCOCCC(C)Br 34a_100009893172_100011713686 [1,1,0,0,0,0|2,0,0]=4 5078 B15R1.871 Cc1ccc(cc1)CCOCCC(C)C 34a_100000210254_100011713686 [1,1,0,0,0,0|2,0,0]=4 5079 B15R1.871 Cc1ccc(cc1)CCOCCC(C)C 34a_100000756670_100000210312 [1,1,0,0,0,0|2,0,0]=4 5080 B15R1.871 Cc1ccc(cc1)CCOCCC(C)C 7a_100000210254_100011713686 [1,1,0,0,0,0|2,0,0]=4 5081 B15R1.871 Cc1ccc(cc1)CCOCCC(C)C 7a_100000756670_100000210626 [1,1,0,0,0,0|2,0,0]=4 5082 B15R1.871 Cc1ccc(cc1)CCOCCC(C)O 34a_100000756670_100012276601 [1,1,0,0,0,0|2,0,0]=4 5083 B15R1.871 Cc1ccc(cc1)CCOCCC(C)O 7a_100000756670_100012276601 [1,1,0,0,0,0|2,0,0]=4 5084 B15R1.871 Cc1ccc(cc1)CCOCC[C@@H](C)N 34a_100000706166_100011713686 [1,1,0,0,0,0|2,0,0]=4 5085 B15R1.871 Cc1ccc(cc1)CCSCCC(C)C 62a_100000210312_100011713686 [1,1,0,0,0,0|2,0,0]=4 5086 B15R1.871 Cc1ccc(cc1)CCSCCC(C)C 62a_100011713686_100000210312 [1,1,0,0,0,0|2,0,0]=4 5087 B15R1.871 Cc1ccc(cc1)CCSCCC(C)O 62a_100011713686_100012276601 [1,1,0,0,0,0|2,0,0]=4 5088 B15R1.871 Cc1ccc(cc1)CCSCCC(C)O 62a_100012276601_100011713686 [1,1,0,0,0,0|2,0,0]=4 5089 B15R1.871 NC(=O)CCNCCc1ccc(cc1)O 34a_100000743037_100000731001 [1,1,0,0,0,0|1,0,1]=4 5090 B15R1.1176 CCCCCCNc1ccc(cc1Br)O 34a_100012001276_100000210314 [1,1,0,0,0,0|2,0,0]=4 5091 B15R1.1176 CCCCCCNc1ccc(cc1C)O 34a_100000756630_100000210314 [1,1,0,0,0,0|2,0,0]=4 5092 B15R1.1176 CCCCCCNc1ccc(cc1Cl)O 34a_100011215599_100000210314 [1,1,0,0,0,0|2,0,0]=4 5093 B15R1.1176 CCCCCCNc1ccc(cc1F)O 34a_100000759473_100000210314 [1,1,0,0,0,0|2,0,0]=4 5094 B15R1.1176 CCCCCCNc1ccc(cc1I)O 34a_100010084370_100000210314 [1,1,0,0,0,0|2,0,0]=4 5095 B15R1.1176 CCCCCCNc1ccc(cc1O)O 34a_100000106777_100000210314 [1,1,0,0,0,0|2,0,0]=4 5096 B15R1.1176 CCCCCCSc1ccc(cc1Br)O 62a_100000210314_100000701344 [1,1,0,0,0,0|2,0,0]=4 5097 B15R1.1176 CCCCCCSc1ccc(cc1Br)O 62a_100000701344_100000210757 [1,1,0,0,0,0|2,0,0]=4 5098 B15R1.1176 CCCCCCSc1ccc(cc1C)O 62a_100000210314_100000690111 [1,1,0,0,0,0|2,0,0]=4 5099 B15R1.1176 CCCCCCSc1ccc(cc1Cl)O 62a_100000047559_100000210757 [1,1,0,0,0,0|2,0,0]=4 5100 B15R1.1176 CCCCCCSc1ccc(cc1Cl)O 62a_100000210314_100000047559 [1,1,0,0,0,0|2,0,0]=4 5101 B15R1.1176 CCCCCCSc1ccc(cc1F)O 62a_100000210314_100000755031 [1,1,0,0,0,0|2,0,0]=4 5102 B15R1.1176 CCCCCCSc1ccc(cc1F)O 62a_100000755031_100000210757 [1,1,0,0,0,0|2,0,0]=4 5103 B15R1.1176 CCCCCCSc1ccc(cc1N)O 62a_100000210314_100011999798 [1,1,0,0,0,0|2,0,0]=4 5104 B15R1.1176 CCCCCCSc1ccc(cc1N)O 62a_100011999798_100000210757 [1,1,0,0,0,0|2,0,0]=4 5105 B15R1.1176 CCCCCCSc1ccc(cc1O)O 62a_100000210314_100009813921 [1,1,0,0,0,0|2,0,0]=4 5106 B15R1.1176 CCCCCNCc1ccc(cc1Cl)O 34a_200161156549_100000718602 [1,1,0,0,0,0|2,0,0]=4 5107 B15R1.1176 CCCCNCCc1ccc(cc1Br)Cl 2230a_100000102301_200012945151 [1,1,0,0,0,0|1,0,0]=3 5108 B15R1.1176 CCCCNCCc1ccc(cc1Br)Cl 7a_106832991798_200012945151 [1,1,0,0,0,0|1,0,0]=3 5109 B15R1.1176 CCCCNCCc1ccc(cc1C)C 2230a_100000745621_100000210211 [1,1,0,0,0,0|1,0,0]=3 5110 B15R1.1176 CCCCNCCc1ccc(cc1C)C 270004a_100000102301_100011754701 [1,1,0,0,0,0|1,0,0]=3 5111 B15R1.1176 CCCCNCCc1ccc(cc1C)C 34a_100000745621_100000210210 [1,1,0,0,0,0|1,0,0]=3 5112 B15R1.1176 CCCCNCCc1ccc(cc1Cl)Cl 2230a_100000102301_200012161198 [1,1,0,0,0,0|1,0,0]=3 5113 B15R1.1176 CCCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000210211 [1,1,0,0,0,0|1,0,0]=3 5114 B15R1.1176 CCCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210210 [1,1,0,0,0,0|1,0,0]=3 5115 B15R1.1176 CCCCNCCc1ccc(cc1Cl)Cl 7a_106832991798_200012161198 [1,1,0,0,0,0|1,0,0]=3 5116 B15R1.1176 CCCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000210211 [1,1,0,0,0,0|1,0,0]=3 5117 B15R1.1176 CCCCNCCc1ccc(cc1F)Cl 34a_103496529009_100000210210 [1,1,0,0,0,0|1,0,0]=3 5118 B15R1.1176 CCCCNCCc1ccc(cc1F)F 2230a_100000754870_100000210211 [1,1,0,0,0,0|1,0,0]=3 5119 B15R1.1176 CCCCNCCc1ccc(cc1F)F 34a_100000754870_100000210210 [1,1,0,0,0,0|1,0,0]=3 5120 B15R1.1176 CCCCNN=Cc1ccc(cc1Br)O 4a_100025702795_100011236494 [1,1,0,0,0,0|1,0,1]=4 5121 B15R1.1176 CCCCNN=Cc1ccc(cc1C)O 4a_100025702795_100000759874 [1,1,0,0,0,0|1,0,1]=4 5122 B15R1.1176 CCCCNN=Cc1ccc(cc1Cl)O 4a_100025702795_100011215651 [1,1,0,0,0,0|1,0,1]=4 5123 B15R1.1176 CCCCNN=Cc1ccc(cc1F)O 4a_100025702795_100000050915 [1,1,0,0,0,0|1,0,1]=4 5124 B15R1.1176 CCCCNN=Cc1ccc(cc1I)O 4a_100025702795_100000051608 [1,1,0,0,0,0|1,0,1]=4 5125 B15R1.1176 CCCCNN=Cc1ccc(cc1O)O 4a_100025702795_100000212098 [1,1,0,0,0,0|1,0,1]=4 5126 B15R1.1176 CCCCOCCc1ccc(cc1Br)Cl 34a_100000210227_200012945151 [1,1,0,0,0,0|2,0,0]=4 5127 B15R1.1176 CCCCOCCc1ccc(cc1Br)Cl 7a_100000210227_200012945151 [1,1,0,0,0,0|2,0,0]=4 5128 B15R1.1176 CCCCOCCc1ccc(cc1Cl)Br 34a_100013445822_100000210210 [1,1,0,0,0,0|2,0,0]=4 5129 B15R1.1176 CCCCOCCc1ccc(cc1Cl)Br 7a_100013445822_100000210211 [1,1,0,0,0,0|2,0,0]=4 5130 B15R1.1176 CCCCOCCc1ccc(cc1Cl)Cl 34a_100000210227_200012161198 [1,1,0,0,0,0|2,0,0]=4 5131 B15R1.1176 CCCCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210210 [1,1,0,0,0,0|2,0,0]=4 5132 B15R1.1176 CCCCOCCc1ccc(cc1Cl)Cl 7a_100000210227_200012161198 [1,1,0,0,0,0|2,0,0]=4 5133 B15R1.1176 CCCCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000210211 [1,1,0,0,0,0|2,0,0]=4 5134 B15R1.1176 CCCCOCCc1ccc(cc1Cl)F 34a_100011962860_100000210210 [1,1,0,0,0,0|2,0,0]=4 5135 B15R1.1176 CCCCOCCc1ccc(cc1Cl)F 7a_100011962860_100000210211 [1,1,0,0,0,0|2,0,0]=4 5136 B15R1.1176 CCCCOCCc1ccc(cc1F)Br 34a_100011962869_100000210210 [1,1,0,0,0,0|2,0,0]=4 5137 B15R1.1176 CCCCOCCc1ccc(cc1F)Br 7a_100011962869_100000210211 [1,1,0,0,0,0|2,0,0]=4 5138 B15R1.1176 CCCCOCCc1ccc(cc1F)F 34a_100000697962_100000210210 [1,1,0,0,0,0|2,0,0]=4 5139 B15R1.1176 CCCCOCCc1ccc(cc1F)F 7a_100000697962_100000210211 [1,1,0,0,0,0|2,0,0]=4 5140 B15R1.1176 CCCCOCNc1ccc(cc1Br)O 34a_100012001276_100011995733 [1,1,0,0,0,0|2,0,0]=4 5141 B15R1.1176 CCCCOCNc1ccc(cc1C)O 34a_100000756630_100011995733 [1,1,0,0,0,0|2,0,0]=4 5142 B15R1.1176 CCCCOCNc1ccc(cc1Cl)O 34a_100011215599_100011995733 [1,1,0,0,0,0|2,0,0]=4 5143 B15R1.1176 CCCCOCNc1ccc(cc1F)O 34a_100000759473_100011995733 [1,1,0,0,0,0|2,0,0]=4 5144 B15R1.1176 CCCCOCNc1ccc(cc1I)O 34a_100010084370_100011995733 [1,1,0,0,0,0|2,0,0]=4 5145 B15R1.1176 CCCCOCNc1ccc(cc1O)O 34a_100000106777_100011995733 [1,1,0,0,0,0|2,0,0]=4 5146 B15R1.1176 CCCCOCSc1ccc(cc1Br)O 62a_100000701344_100011995733 [1,1,0,0,0,0|2,0,0]=4 5147 B15R1.1176 CCCCOCSc1ccc(cc1Br)O 62a_100011995733_100000701344 [1,1,0,0,0,0|2,0,0]=4 5148 B15R1.1176 CCCCOCSc1ccc(cc1C)O 62a_100011995733_100000690111 [1,1,0,0,0,0|2,0,0]=4 5149 B15R1.1176 CCCCOCSc1ccc(cc1Cl)O 62a_100000047559_100011995733 [1,1,0,0,0,0|2,0,0]=4 5150 B15R1.1176 CCCCOCSc1ccc(cc1Cl)O 62a_100011995733_100000047559 [1,1,0,0,0,0|2,0,0]=4 5151 B15R1.1176 CCCCOCSc1ccc(cc1F)O 62a_100000755031_100011995733 [1,1,0,0,0,0|2,0,0]=4 5152 B15R1.1176 CCCCOCSc1ccc(cc1F)O 62a_100011995733_100000755031 [1,1,0,0,0,0|2,0,0]=4 5153 B15R1.1176 CCCCOCSc1ccc(cc1N)O 62a_100011995733_100011999798 [1,1,0,0,0,0|2,0,0]=4 5154 B15R1.1176 CCCCOCSc1ccc(cc1N)O 62a_100011999798_100011995733 [1,1,0,0,0,0|2,0,0]=4 5155 B15R1.1176 CCCCOCSc1ccc(cc1O)O 62a_100011995733_100009813921 [1,1,0,0,0,0|2,0,0]=4 5156 B15R1.1176 COCCNCCc1ccc(cc1Br)Cl 2230a_100000209980_200012945151 [1,1,0,0,0,0|2,0,0]=4 5157 B15R1.1176 COCCNCCc1ccc(cc1C)C 2230a_100000745621_100011201679 [1,1,0,0,0,0|2,0,0]=4 5158 B15R1.1176 COCCNCCc1ccc(cc1C)C 270004a_100000209980_100011754701 [1,1,0,0,0,0|2,0,0]=4 5159 B15R1.1176 COCCNCCc1ccc(cc1C)C 34a_100000745621_100011201679 [1,1,0,0,0,0|2,0,0]=4 5160 B15R1.1176 COCCNCCc1ccc(cc1Cl)Cl 2230a_100000209980_200012161198 [1,1,0,0,0,0|2,0,0]=4 5161 B15R1.1176 COCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100011201679 [1,1,0,0,0,0|2,0,0]=4 5162 B15R1.1176 COCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100011201679 [1,1,0,0,0,0|2,0,0]=4 5163 B15R1.1176 COCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100011201679 [1,1,0,0,0,0|2,0,0]=4 5164 B15R1.1176 COCCNCCc1ccc(cc1F)Cl 34a_103496529009_100011201679 [1,1,0,0,0,0|2,0,0]=4 5165 B15R1.1176 COCCNCCc1ccc(cc1F)F 2230a_100000754870_100011201679 [1,1,0,0,0,0|2,0,0]=4 5166 B15R1.1176 COCCNCCc1ccc(cc1F)F 34a_100000754870_100011201679 [1,1,0,0,0,0|2,0,0]=4 5167 B15R1.1176 CSCCNCCc1ccc(cc1Br)Cl 2230a_100020590264_200012945151 [1,1,0,0,0,0|2,0,0]=4 5168 B15R1.1176 CSCCNCCc1ccc(cc1C)C 2230a_100000745621_100000751147 [1,1,0,0,0,0|2,0,0]=4 5169 B15R1.1176 CSCCNCCc1ccc(cc1C)C 270004a_100020590264_100011754701 [1,1,0,0,0,0|2,0,0]=4 5170 B15R1.1176 CSCCNCCc1ccc(cc1C)C 34a_100000745621_100000212216 [1,1,0,0,0,0|2,0,0]=4 5171 B15R1.1176 CSCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000751147 [1,1,0,0,0,0|2,0,0]=4 5172 B15R1.1176 CSCCNCCc1ccc(cc1Cl)Cl 2230a_100020590264_200012161198 [1,1,0,0,0,0|2,0,0]=4 5173 B15R1.1176 CSCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000212216 [1,1,0,0,0,0|2,0,0]=4 5174 B15R1.1176 CSCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000751147 [1,1,0,0,0,0|2,0,0]=4 5175 B15R1.1176 CSCCNCCc1ccc(cc1F)Cl 34a_103496529009_100000212216 [1,1,0,0,0,0|2,0,0]=4 5176 B15R1.1176 CSCCNCCc1ccc(cc1F)F 2230a_100000754870_100000751147 [1,1,0,0,0,0|2,0,0]=4 5177 B15R1.1176 CSCCNCCc1ccc(cc1F)F 34a_100000754870_100000212216 [1,1,0,0,0,0|2,0,0]=4 5178 B15R1.1176 Cc1ccc(c(c1)C)CCNCCCF 2230a_100000745621_100011934791 [1,1,0,0,0,0|2,0,0]=4 5179 B15R1.1176 Cc1ccc(c(c1)C)CCNCCCF 270004a_100015189416_100011754701 [1,1,0,0,0,0|2,0,0]=4 5180 B15R1.1176 Cc1ccc(c(c1)C)CCNCCCF 34a_100000745621_100011934791 [1,1,0,0,0,0|2,0,0]=4 5181 B15R1.1176 Cc1ccc(c(c1)C)CCNCCCO 2230a_100000745621_100000230001 [1,1,0,0,0,0|2,0,0]=4 5182 B15R1.1176 Cc1ccc(c(c1)C)CCNCCCO 270004a_100000182051_100011754701 [1,1,0,0,0,0|2,0,0]=4 5183 B15R1.1176 Cc1ccc(c(c1)C)CCNCCCO 34a_100000745621_100000230001 [1,1,0,0,0,0|2,0,0]=4 5184 B15R1.1176 FCCCNCCc1ccc(cc1Br)Cl 2230a_100015189416_200012945151 [1,1,0,0,0,0|2,0,0]=4 5185 B15R1.1176 FCCCNCCc1ccc(cc1Br)Cl 34a_100015189416_200012945151 [1,1,0,0,0,0|2,0,0]=4 5186 B15R1.1176 FCCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100011934791 [1,1,0,0,0,0|2,0,0]=4 5187 B15R1.1176 FCCCNCCc1ccc(cc1Cl)Cl 2230a_100015189416_200012161198 [1,1,0,0,0,0|2,0,0]=4 5188 B15R1.1176 FCCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100011934791 [1,1,0,0,0,0|2,0,0]=4 5189 B15R1.1176 FCCCNCCc1ccc(cc1Cl)Cl 34a_100015189416_200012161198 [1,1,0,0,0,0|2,0,0]=4 5190 B15R1.1176 FCCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100011934791 [1,1,0,0,0,0|2,0,0]=4 5191 B15R1.1176 FCCCNCCc1ccc(cc1F)Cl 34a_103496529009_100011934791 [1,1,0,0,0,0|2,0,0]=4 5192 B15R1.1176 FCCCNCCc1ccc(cc1F)F 2230a_100000754870_100011934791 [1,1,0,0,0,0|2,0,0]=4 5193 B15R1.1176 FCCCNCCc1ccc(cc1F)F 34a_100000754870_100011934791 [1,1,0,0,0,0|2,0,0]=4 5194 B15R1.1176 OCCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000230001 [1,1,0,0,0,0|2,0,0]=4 5195 B15R1.1176 OCCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000230001 [1,1,0,0,0,0|2,0,0]=4 5196 B15R1.1176 OCCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000230001 [1,1,0,0,0,0|2,0,0]=4 5197 B15R1.1176 OCCCNCCc1ccc(cc1F)Cl 34a_103496529009_100000230001 [1,1,0,0,0,0|2,0,0]=4 5198 B15R1.1176 OCCCNCCc1ccc(cc1F)F 2230a_100000754870_100000230001 [1,1,0,0,0,0|2,0,0]=4 5199 B15R1.1176 OCCCNCCc1ccc(cc1F)F 34a_100000754870_100000230001 [1,1,0,0,0,0|2,0,0]=4 5200 B15R1.1178 C#CCCNCCc1ccc(cc1)OC 2230a_100000210796_100000688953 [1,1,0,0,0,0|0,0,2]=4 5201 B15R1.1178 C#CCCNCCc1ccc(cc1)OC 34a_100000210796_100000688953 [1,1,0,0,0,0|0,0,2]=4 5202 B15R1.1178 C#CCCNCCc1ccc(cc1)OC 34a_100000755551_100000184700 [1,1,0,0,0,0|0,0,2]=4 5203 B15R1.1178 C/C=C/CNCCc1ccc(cc1)OC 34a_100000210796_100102629194 [1,1,0,0,0,0|0,0,2]=4 5204 B15R1.1178 C=CCCNCCc1ccc(cc1)OC 2230a_100000210796_100000754431 [1,1,0,0,0,0|0,0,2]=4 5205 B15R1.1178 C=CCCNCCc1ccc(cc1)OC 2230a_100015191253_100011713689 [1,1,0,0,0,0|0,0,2]=4 5206 B15R1.1178 C=CCCNCCc1ccc(cc1)OC 270004a_100015191253_100011242372 [1,1,0,0,0,0|0,0,2]=4 5207 B15R1.1178 C=CCCNCCc1ccc(cc1)OC 34a_100000210796_100000754431 [1,1,0,0,0,0|0,0,2]=4 5208 B15R1.1178 C=Cc1ccc(cc1)CCCCCCC 271570a_100011290941_100009813667 [1,1,0,0,0,0|2,0,0]=4 5209 B15R1.1178 C=Cc1ccc(cc1)CCNCCCC 2230a_100000102301_100000142037 [1,1,0,0,0,0|1,0,0]=3 5210 B15R1.1178 C=Cc1ccc(cc1)CCNCCCC 7a_106832991798_100000142037 [1,1,0,0,0,0|1,0,0]=3 5211 B15R1.1178 C=Cc1ccc(cc1)CCNCCCF 2230a_100015189416_100000142037 [1,1,0,0,0,0|2,0,0]=4 5212 B15R1.1178 C=Cc1ccc(cc1)CCNCCCF 34a_100015189416_100000142037 [1,1,0,0,0,0|2,0,0]=4 5213 B15R1.1178 C=Cc1ccc(cc1)CCNCCOC 2230a_100000209980_100000142037 [1,1,0,0,0,0|2,0,0]=4 5214 B15R1.1178 C=Cc1ccc(cc1)CCNCCSC 2230a_100020590264_100000142037 [1,1,0,0,0,0|2,0,0]=4 5215 B15R1.1178 C=Cc1ccc(cc1)CCOCCCC 34a_100000210227_100000142037 [1,1,0,0,0,0|2,0,0]=4 5216 B15R1.1178 C=Cc1ccc(cc1)CCOCCCC 7a_100000210227_100000142037 [1,1,0,0,0,0|2,0,0]=4 5217 B15R1.1178 C=Cc1ccc(cc1)CCSCCCC 62a_100000142037_100000210210 [1,1,0,0,0,0|2,0,0]=4 5218 B15R1.1178 C=Cc1ccc(cc1)CCSCCCC 62a_100000210211_100000142037 [1,1,0,0,0,0|2,0,0]=4 5219 B15R1.1178 CC#CCNCCc1ccc(cc1)OC 2230a_100000210796_100000748600 [1,1,0,0,0,0|0,0,2]=4 5220 B15R1.1178 CC#CCNCCc1ccc(cc1)OC 2230a_100000685387_100011713689 [1,1,0,0,0,0|0,0,2]=4 5221 B15R1.1178 CC#CCNCCc1ccc(cc1)OC 34a_100000210796_100000748600 [1,1,0,0,0,0|0,0,2]=4 5222 B15R1.1178 CC#CCNCCc1ccc(cc1)OC 34a_100000685387_100000184700 [1,1,0,0,0,0|0,0,2]=4 5223 B15R1.1178 CC=CCNCCc1ccc(cc1)OC 2230a_100000210796_100000070051 [1,1,0,0,0,0|0,0,2]=4 5224 B15R1.1178 CC=CCNCCc1ccc(cc1)OC 34a_100000210796_100000070051 [1,1,0,0,0,0|0,0,2]=4 5225 B15R1.1178 CCCCCCCc1ccc(cc1)NC 2230a_200000032916_200000210301 [1,1,0,0,0,0|2,0,0]=4 5226 B15R1.1178 CCCCCCCc1ccc(cc1)NC 34a_200000032916_200000210301 [1,1,0,0,0,0|2,0,0]=4 5227 B15R1.1178 CCCCCCCc1ccc(cc1)NC 7a_200000032916_200000210301 [1,1,0,0,0,0|2,0,0]=4 5228 B15R1.1178 CCCCCCCc1ccc(cc1)N[13CH3] 2230a_200000032916_200025704644 [1,1,0,0,0,0|2,0,0]=4 5229 B15R1.1178 CCCCCCCc1ccc(cc1)N[13CH3] 34a_200000032916_200025704644 [1,1,0,0,0,0|2,0,0]=4 5230 B15R1.1178 CCCCCCCc1ccc(cc1)N[13CH3] 7a_200000032916_200025704644 [1,1,0,0,0,0|2,0,0]=4 5231 B15R1.1178 CCCCCCCc1ccc(cc1)OC 34a_100000036509_200000210301 [1,1,0,0,0,0|1,0,0]=3 5232 B15R1.1178 CCCCCCCc1ccc(cc1)OC 7a_100000036509_200000210301 [1,1,0,0,0,0|1,0,0]=3 5233 B15R1.1178 CCCCCCCc1ccc(cc1)O[13CH3] 34a_100000036509_200025704644 [1,1,0,0,0,0|1,0,0]=3 5234 B15R1.1178 CCCCCCCc1ccc(cc1)O[13CH3] 7a_100000036509_200025704644 [1,1,0,0,0,0|1,0,0]=3 5235 B15R1.1178 CCCCCCCc1ccc(cc1)SC 62a_100009813667_200000210301 [1,1,0,0,0,0|1,1,0]=4 5236 B15R1.1178 CCCCCCCc1ccc(cc1)SC 62a_200000210301_100009813667 [1,1,0,0,0,0|1,1,0]=4 5237 B15R1.1178 CCCCCCCc1ccc(cc1)S[13CH3] 62a_100009813667_200025704644 [1,1,0,0,0,0|1,1,0]=4 5238 B15R1.1178 CCCCCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100009813667 [1,1,0,0,0,0|1,1,0]=4 5239 B15R1.1178 CCCCCCNc1ccc(cc1)CO 2230a_100011215238_100000210314 [1,1,0,0,0,0|2,0,0]=4 5240 B15R1.1178 CCCCCCNc1ccc(cc1)CO 34a_100011215238_100000210314 [1,1,0,0,0,0|2,0,0]=4 5241 B15R1.1178 CCCCCCNc1ccc(cc1)OC 34a_100000184247_100000210314 [1,1,0,0,0,0|2,0,0]=4 5242 B15R1.1178 CCCCCCOc1ccc(cc1)CO 34a_100000211755_100000210314 [1,1,0,0,0,0|2,0,0]=4 5243 B15R1.1178 CCCCCCOc1ccc(cc1)OC 34a_100000187760_200000210301 [1,1,0,0,0,0|2,0,0]=4 5244 B15R1.1178 CCCCCCOc1ccc(cc1)OC 34a_100000210503_100000210314 [1,1,0,0,0,0|2,0,0]=4 5245 B15R1.1178 CCCCCCOc1ccc(cc1)OC 7a_100000187760_200000210301 [1,1,0,0,0,0|2,0,0]=4 5246 B15R1.1178 CCCCCCOc1ccc(cc1)O[13CH3] 34a_100000187760_200025704644 [1,1,0,0,0,0|2,0,0]=4 5247 B15R1.1178 CCCCCCOc1ccc(cc1)O[13CH3] 7a_100000187760_200025704644 [1,1,0,0,0,0|2,0,0]=4 5248 B15R1.1178 CCCCCCSc1ccc(cc1)CO 62a_100000210314_100000690907 [1,1,0,0,0,0|2,0,0]=4 5249 B15R1.1178 CCCCCCSc1ccc(cc1)CO 62a_100000690907_100000210757 [1,1,0,0,0,0|2,0,0]=4 5250 B15R1.1178 CCCCCCSc1ccc(cc1)OC 62a_100000210314_100000171711 [1,1,0,0,0,0|2,0,0]=4 5251 B15R1.1178 CCCCCNCc1ccc(cc1)CO 207a_100000209983_100009832023 [1,1,0,0,0,0|2,0,0]=4 5252 B15R1.1178 CCCCCNCc1ccc(cc1)CO 2230a_100000209983_100000067286 [1,1,0,0,0,0|2,0,0]=4 5253 B15R1.1178 CCCCCNCc1ccc(cc1)CO 2230a_100015189231_100000210326 [1,1,0,0,0,0|2,0,0]=4 5254 B15R1.1178 CCCCCNCc1ccc(cc1)CO 270004a_100000209983_100009832023 [1,1,0,0,0,0|2,0,0]=4 5255 B15R1.1178 CCCCCNCc1ccc(cc1)CO 34a_100015189231_100000718602 [1,1,0,0,0,0|2,0,0]=4 5256 B15R1.1178 CCCCCNCc1ccc(cc1)OC 207a_100000209983_100000169835 [1,1,0,0,0,0|2,0,0]=4 5257 B15R1.1178 CCCCCNCc1ccc(cc1)OC 2230a_100000209983_100000742318 [1,1,0,0,0,0|2,0,0]=4 5258 B15R1.1178 CCCCCNCc1ccc(cc1)OC 270004a_100000209983_100000169835 [1,1,0,0,0,0|2,0,0]=4 5259 B15R1.1178 CCCCCNCc1ccc(cc1)OC 34a_100000185587_100000718602 [1,1,0,0,0,0|2,0,0]=4 5260 B15R1.1178 CCCCCOCc1ccc(cc1)CO 34a_100000210253_100000067286 [1,1,0,0,0,0|2,0,0]=4 5261 B15R1.1178 CCCCCOCc1ccc(cc1)CO 7a_100000210253_100000067286 [1,1,0,0,0,0|2,0,0]=4 5262 B15R1.1178 CCCCCOCc1ccc(cc1)OC 34a_100000173359_100000718602 [1,1,0,0,0,0|2,0,0]=4 5263 B15R1.1178 CCCCCOCc1ccc(cc1)OC 34a_100000210253_100000742318 [1,1,0,0,0,0|2,0,0]=4 5264 B15R1.1178 CCCCCOCc1ccc(cc1)OC 7a_100000210253_100000742318 [1,1,0,0,0,0|2,0,0]=4 5265 B15R1.1178 CCCCCSCc1ccc(cc1)CO 62a_100000067286_100000210326 [1,1,0,0,0,0|2,0,0]=4 5266 B15R1.1178 CCCCCSCc1ccc(cc1)CO 62a_100000210326_100000067286 [1,1,0,0,0,0|2,0,0]=4 5267 B15R1.1178 CCCCCSCc1ccc(cc1)OC 62a_100000210326_100000742318 [1,1,0,0,0,0|2,0,0]=4 5268 B15R1.1178 CCCCNCCc1ccc(cc1)C#N 2230a_100000102301_100012161189 [1,1,0,0,0,0|1,0,0]=3 5269 B15R1.1178 CCCCNCCc1ccc(cc1)C#N 2230a_100015189369_100000210211 [1,1,0,0,0,0|1,0,0]=3 5270 B15R1.1178 CCCCNCCc1ccc(cc1)C#N 34a_100015189369_100000210210 [1,1,0,0,0,0|1,0,0]=3 5271 B15R1.1178 CCCCNCCc1ccc(cc1)C#N 7a_106832991798_100012161189 [1,1,0,0,0,0|1,0,0]=3 5272 B15R1.1178 CCCCNCCc1ccc(cc1)CC 2230a_100025712186_100000210211 [1,1,0,0,0,0|1,0,0]=3 5273 B15R1.1178 CCCCNCCc1ccc(cc1)CC 34a_100025712186_100000210210 [1,1,0,0,0,0|1,0,0]=3 5274 B15R1.1178 CCCCNCCc1ccc(cc1)OC 2230a_100000102301_100011713689 [1,1,0,0,0,0|0,0,0]=2 5275 B15R1.1178 CCCCNCCc1ccc(cc1)OC 2230a_100000210796_100000210211 [1,1,0,0,0,0|0,0,0]=2 5276 B15R1.1178 CCCCNCCc1ccc(cc1)OC 270004a_100000102301_100011242372 [1,1,0,0,0,0|0,0,0]=2 5277 B15R1.1178 CCCCNCCc1ccc(cc1)OC 34a_100000210796_100000210210 [1,1,0,0,0,0|0,0,0]=2 5278 B15R1.1178 CCCCNCCc1ccc(cc1)OC 7a_106832991798_100000184700 [1,1,0,0,0,0|0,0,0]=2 5279 B15R1.1178 CCCCNCCc1ccc(nc1)OC 2230a_100011998949_100000210211 [1,1,0,0,0,0|1,0,0]=3 5280 B15R1.1178 CCCCNCCc1ccc(nc1)OC 34a_100011998949_100000210210 [1,1,0,0,0,0|1,0,0]=3 5281 B15R1.1178 CCCCNN=Cc1ccc(cc1)CO 4a_100025702795_100009832023 [1,1,0,0,0,0|1,0,1]=4 5282 B15R1.1178 CCCCNN=Cc1ccc(cc1)OC 4a_100025702795_100000169835 [1,1,0,0,0,0|1,0,1]=4 5283 B15R1.1178 CCCCOCCc1ccc(cc1)C#N 34a_100000210227_100012161189 [1,1,0,0,0,0|2,0,0]=4 5284 B15R1.1178 CCCCOCCc1ccc(cc1)C#N 34a_100011219507_100000210210 [1,1,0,0,0,0|2,0,0]=4 5285 B15R1.1178 CCCCOCCc1ccc(cc1)C#N 7a_100000210227_100012161189 [1,1,0,0,0,0|2,0,0]=4 5286 B15R1.1178 CCCCOCCc1ccc(cc1)C#N 7a_100011219507_100000210211 [1,1,0,0,0,0|2,0,0]=4 5287 B15R1.1178 CCCCOCCc1ccc(cc1)OC 34a_100000210227_100000184700 [1,1,0,0,0,0|1,0,0]=3 5288 B15R1.1178 CCCCOCCc1ccc(cc1)OC 34a_100011219623_100000210210 [1,1,0,0,0,0|1,0,0]=3 5289 B15R1.1178 CCCCOCCc1ccc(cc1)OC 7a_100000210227_100000184700 [1,1,0,0,0,0|1,0,0]=3 5290 B15R1.1178 CCCCOCCc1ccc(cc1)OC 7a_100011219623_100000210211 [1,1,0,0,0,0|1,0,0]=3 5291 B15R1.1178 CCCCOCNc1ccc(cc1)CO 2230a_100011215238_100011995733 [1,1,0,0,0,0|2,0,0]=4 5292 B15R1.1178 CCCCOCNc1ccc(cc1)CO 34a_100011215238_100011995733 [1,1,0,0,0,0|2,0,0]=4 5293 B15R1.1178 CCCCOCNc1ccc(cc1)OC 34a_100000184247_100011995733 [1,1,0,0,0,0|2,0,0]=4 5294 B15R1.1178 CCCCOCOc1ccc(cc1)CO 34a_100000211755_100011995733 [1,1,0,0,0,0|2,0,0]=4 5295 B15R1.1178 CCCCOCOc1ccc(cc1)OC 34a_100000210503_100011995733 [1,1,0,0,0,0|2,0,0]=4 5296 B15R1.1178 CCCCOCSc1ccc(cc1)CO 62a_100000690907_100011995733 [1,1,0,0,0,0|2,0,0]=4 5297 B15R1.1178 CCCCOCSc1ccc(cc1)CO 62a_100011995733_100000690907 [1,1,0,0,0,0|2,0,0]=4 5298 B15R1.1178 CCCCOCSc1ccc(cc1)OC 62a_100011995733_100000171711 [1,1,0,0,0,0|2,0,0]=4 5299 B15R1.1178 CCCCSCCc1ccc(cc1)C#N 62a_100000210211_100012161189 [1,1,0,0,0,0|2,0,0]=4 5300 B15R1.1178 CCCCSCCc1ccc(cc1)OC 62a_100000210211_100011713689 [1,1,0,0,0,0|1,0,0]=3 5301 B15R1.1178 CCCCSCCc1ccc(cc1)OC 62a_100011713689_100000210210 [1,1,0,0,0,0|1,0,0]=3 5302 B15R1.1178 CCCNCCCc1ccc(cc1)OC 2230a_100015185942_100000210303 [1,1,0,0,0,0|2,0,0]=4 5303 B15R1.1178 CCCNCCCc1ccc(cc1)OC 270004a_100020643023_100011361577 [1,1,0,0,0,0|2,0,0]=4 5304 B15R1.1178 CCCNCCCc1ccc(cc1)OC 34a_100015185942_100000210303 [1,1,0,0,0,0|2,0,0]=4 5305 B15R1.1178 CCCOCCCc1ccc(cc1)OC 34a_100011215180_100000210303 [1,1,0,0,0,0|2,0,0]=4 5306 B15R1.1178 CCCOCCCc1ccc(cc1)OC 7a_100011215180_100000210303 [1,1,0,0,0,0|2,0,0]=4 5307 B15R1.1178 CCCSCCCc1ccc(cc1)OC 62a_100000210303_100011740616 [1,1,0,0,0,0|2,0,0]=4 5308 B15R1.1178 CCCSCCCc1ccc(cc1)OC 62a_100011740616_100000210303 [1,1,0,0,0,0|2,0,0]=4 5309 B15R1.1178 CCNCCCCc1ccc(cc1)OC 2230a_100015525214_100012285823 [1,1,0,0,0,0|2,0,0]=4 5310 B15R1.1178 CCOCCCCc1ccc(cc1)OC 34a_100011217973_100000210202 [1,1,0,0,0,0|2,0,0]=4 5311 B15R1.1178 CCOCCCCc1ccc(cc1)OC 7a_100011217973_100000210202 [1,1,0,0,0,0|2,0,0]=4 5312 B15R1.1178 CCOCSCCc1ccc(cc1)OC 62a_100000739092_100011713689 [1,1,0,0,0,0|2,0,0]=4 5313 B15R1.1178 CCOCSCCc1ccc(cc1)OC 62a_100011713689_100000739092 [1,1,0,0,0,0|2,0,0]=4 5314 B15R1.1178 CCSCCCCc1ccc(cc1)OC 62a_100000210202_100012285823 [1,1,0,0,0,0|2,0,0]=4 5315 B15R1.1178 CCc1ccc(cc1)CCNCCCF 2230a_100025712186_100011934791 [1,1,0,0,0,0|2,0,0]=4 5316 B15R1.1178 CCc1ccc(cc1)CCNCCCF 34a_100025712186_100011934791 [1,1,0,0,0,0|2,0,0]=4 5317 B15R1.1178 CCc1ccc(cc1)CCNCCCO 2230a_100025712186_100000230001 [1,1,0,0,0,0|2,0,0]=4 5318 B15R1.1178 CCc1ccc(cc1)CCNCCCO 34a_100025712186_100000230001 [1,1,0,0,0,0|2,0,0]=4 5319 B15R1.1178 CCc1ccc(cc1)CCNCCOC 2230a_100025712186_100011201679 [1,1,0,0,0,0|2,0,0]=4 5320 B15R1.1178 CCc1ccc(cc1)CCNCCOC 34a_100025712186_100011201679 [1,1,0,0,0,0|2,0,0]=4 5321 B15R1.1178 CCc1ccc(cc1)CCNCCSC 2230a_100025712186_100000751147 [1,1,0,0,0,0|2,0,0]=4 5322 B15R1.1178 CCc1ccc(cc1)CCNCCSC 34a_100025712186_100000212216 [1,1,0,0,0,0|2,0,0]=4 5323 B15R1.1178 CNCCCCCc1ccc(cc1)OC 2230a_106832991635_200011216517 [1,1,0,0,0,0|2,0,0]=4 5324 B15R1.1178 CNCCCCCc1ccc(cc1)OC 34a_100102657272_200011216517 [1,1,0,0,0,0|2,0,0]=4 5325 B15R1.1178 CNCCCCCc1ccc(cc1)OC 7a_106832991635_200011216517 [1,1,0,0,0,0|2,0,0]=4 5326 B15R1.1178 COCCCCCc1ccc(cc1)OC 34a_100138415774_200011216517 [1,1,0,0,0,0|2,0,0]=4 5327 B15R1.1178 COCCNCCc1ccc(cc1)C#N 2230a_100000209980_100012161189 [1,1,0,0,0,0|2,0,0]=4 5328 B15R1.1178 COCCNCCc1ccc(cc1)C#N 2230a_100015189369_100011201679 [1,1,0,0,0,0|2,0,0]=4 5329 B15R1.1178 COCCNCCc1ccc(cc1)C#N 34a_100015189369_100011201679 [1,1,0,0,0,0|2,0,0]=4 5330 B15R1.1178 COCCNCCc1ccc(cc1)OC 2230a_100000209980_100011713689 [1,1,0,0,0,0|1,0,0]=3 5331 B15R1.1178 COCCNCCc1ccc(cc1)OC 2230a_100000210796_100011201679 [1,1,0,0,0,0|1,0,0]=3 5332 B15R1.1178 COCCNCCc1ccc(cc1)OC 270004a_100000209980_100011242372 [1,1,0,0,0,0|1,0,0]=3 5333 B15R1.1178 COCCNCCc1ccc(cc1)OC 34a_100000210796_100011201679 [1,1,0,0,0,0|1,0,0]=3 5334 B15R1.1178 COCCNCCc1ccc(nc1)OC 2230a_100011998949_100011201679 [1,1,0,0,0,0|2,0,0]=4 5335 B15R1.1178 COCCNCCc1ccc(nc1)OC 34a_100011998949_100011201679 [1,1,0,0,0,0|2,0,0]=4 5336 B15R1.1178 COCCOCCc1ccc(cc1)OC 34a_100000210237_100000184700 [1,1,0,0,0,0|2,0,0]=4 5337 B15R1.1178 COCCOCCc1ccc(cc1)OC 34a_100011219623_100011201679 [1,1,0,0,0,0|2,0,0]=4 5338 B15R1.1178 COCCOCCc1ccc(cc1)OC 7a_100011219623_100000233755 [1,1,0,0,0,0|2,0,0]=4 5339 B15R1.1178 COCCSCCc1ccc(cc1)OC 62a_100000233755_100011713689 [1,1,0,0,0,0|2,0,0]=4 5340 B15R1.1178 COCCSCCc1ccc(cc1)OC 62a_100011713689_100000233755 [1,1,0,0,0,0|2,0,0]=4 5341 B15R1.1178 COc1ccc(cc1)CCCCCSC 62a_200000210301_200011216517 [1,1,0,0,0,0|2,0,0]=4 5342 B15R1.1178 COc1ccc(cc1)CCCCCS[13CH3] 62a_200025704644_200011216517 [1,1,0,0,0,0|2,0,0]=4 5343 B15R1.1178 COc1ccc(cc1)CCNCCC#N 2230a_100000210796_100011215226 [1,1,0,0,0,0|1,0,1]=4 5344 B15R1.1178 COc1ccc(cc1)CCNCCC#N 270004a_100000720768_100011242372 [1,1,0,0,0,0|1,0,1]=4 5345 B15R1.1178 COc1ccc(cc1)CCNCCCF 2230a_100000210796_100011934791 [1,1,0,0,0,0|1,0,0]=3 5346 B15R1.1178 COc1ccc(cc1)CCNCCCF 2230a_100015189416_100011713689 [1,1,0,0,0,0|1,0,0]=3 5347 B15R1.1178 COc1ccc(cc1)CCNCCCF 270004a_100015189416_100011242372 [1,1,0,0,0,0|1,0,0]=3 5348 B15R1.1178 COc1ccc(cc1)CCNCCCF 34a_100000210796_100011934791 [1,1,0,0,0,0|1,0,0]=3 5349 B15R1.1178 COc1ccc(cc1)CCNCCCF 34a_100015189416_100000184700 [1,1,0,0,0,0|1,0,0]=3 5350 B15R1.1178 COc1ccc(cc1)CCNCCCO 2230a_100000210796_100000230001 [1,1,0,0,0,0|1,0,0]=3 5351 B15R1.1178 COc1ccc(cc1)CCNCCCO 270004a_100000182051_100011242372 [1,1,0,0,0,0|1,0,0]=3 5352 B15R1.1178 COc1ccc(cc1)CCNCCCO 34a_100000210796_100000230001 [1,1,0,0,0,0|1,0,0]=3 5353 B15R1.1178 COc1ccc(cc1)CCNCCSC 2230a_100000210796_100000751147 [1,1,0,0,0,0|1,0,0]=3 5354 B15R1.1178 COc1ccc(cc1)CCNCCSC 2230a_100020590264_100011713689 [1,1,0,0,0,0|1,0,0]=3 5355 B15R1.1178 COc1ccc(cc1)CCNCCSC 270004a_100020590264_100011242372 [1,1,0,0,0,0|1,0,0]=3 5356 B15R1.1178 COc1ccc(cc1)CCNCCSC 34a_100000210796_100000212216 [1,1,0,0,0,0|1,0,0]=3 5357 B15R1.1178 COc1ccc(cc1)CCOCCCBr 34a_100011217188_100000184700 [1,1,0,0,0,0|2,0,0]=4 5358 B15R1.1178 COc1ccc(cc1)CCOCCCCl 34a_100000230001_100000184700 [1,1,0,0,0,0|2,0,0]=4 5359 B15R1.1178 COc1ccc(cc1)CCOCCCF 34a_100000759539_100000184700 [1,1,0,0,0,0|2,0,0]=4 5360 B15R1.1178 COc1ccc(cc1)CCOCCCF 34a_100011219623_100011934791 [1,1,0,0,0,0|2,0,0]=4 5361 B15R1.1178 COc1ccc(cc1)CCOCCCF 7a_100011219623_100011934791 [1,1,0,0,0,0|2,0,0]=4 5362 B15R1.1178 COc1ccc(cc1)CCOCCCN 34a_100000182051_100000184700 [1,1,0,0,0,0|2,0,0]=4 5363 B15R1.1178 COc1ccc(cc1)CCOCCCO 34a_100011219623_100000230001 [1,1,0,0,0,0|2,0,0]=4 5364 B15R1.1178 COc1ccc(cc1)CCOCCCO 7a_100011219623_100011215043 [1,1,0,0,0,0|2,0,0]=4 5365 B15R1.1178 COc1ccc(cc1)CCOCCSC 34a_100000230434_100000184700 [1,1,0,0,0,0|2,0,0]=4 5366 B15R1.1178 COc1ccc(cc1)CCOCCSC 34a_100011219623_100000212216 [1,1,0,0,0,0|2,0,0]=4 5367 B15R1.1178 COc1ccc(cc1)CCOCCSC 7a_100000230434_100000184700 [1,1,0,0,0,0|2,0,0]=4 5368 B15R1.1178 COc1ccc(cc1)CCOCCSC 7a_100011219623_100000212216 [1,1,0,0,0,0|2,0,0]=4 5369 B15R1.1178 COc1ccc(cc1)CCSCCCF 62a_100011713689_100011934791 [1,1,0,0,0,0|2,0,0]=4 5370 B15R1.1178 COc1ccc(cc1)CCSCCCF 62a_100011934791_100011713689 [1,1,0,0,0,0|2,0,0]=4 5371 B15R1.1178 COc1ccc(cc1)CCSCCCO 62a_100011215043_100011713689 [1,1,0,0,0,0|2,0,0]=4 5372 B15R1.1178 COc1ccc(cc1)CCSCCCO 62a_100011713689_100011215043 [1,1,0,0,0,0|2,0,0]=4 5373 B15R1.1178 COc1ccc(cc1)CCSCCSC 62a_100000212216_100011713689 [1,1,0,0,0,0|2,0,0]=4 5374 B15R1.1178 COc1ccc(cc1)CCSCCSC 62a_100011713689_100000751147 [1,1,0,0,0,0|2,0,0]=4 5375 B15R1.1178 COc1ccc(cn1)CCNCCCF 2230a_100011998949_100011934791 [1,1,0,0,0,0|2,0,0]=4 5376 B15R1.1178 COc1ccc(cn1)CCNCCCF 34a_100011998949_100011934791 [1,1,0,0,0,0|2,0,0]=4 5377 B15R1.1178 COc1ccc(cn1)CCNCCCO 2230a_100011998949_100000230001 [1,1,0,0,0,0|2,0,0]=4 5378 B15R1.1178 COc1ccc(cn1)CCNCCCO 34a_100011998949_100000230001 [1,1,0,0,0,0|2,0,0]=4 5379 B15R1.1178 COc1ccc(cn1)CCNCCSC 2230a_100011998949_100000751147 [1,1,0,0,0,0|2,0,0]=4 5380 B15R1.1178 COc1ccc(cn1)CCNCCSC 34a_100011998949_100000212216 [1,1,0,0,0,0|2,0,0]=4 5381 B15R1.1178 CSCCNCCc1ccc(cc1)C#N 2230a_100015189369_100000751147 [1,1,0,0,0,0|2,0,0]=4 5382 B15R1.1178 CSCCNCCc1ccc(cc1)C#N 2230a_100020590264_100012161189 [1,1,0,0,0,0|2,0,0]=4 5383 B15R1.1178 CSCCNCCc1ccc(cc1)C#N 34a_100015189369_100000212216 [1,1,0,0,0,0|2,0,0]=4 5384 B15R1.1178 N#Cc1ccc(cc1)CCNCCCF 2230a_100015189369_100011934791 [1,1,0,0,0,0|2,0,0]=4 5385 B15R1.1178 N#Cc1ccc(cc1)CCNCCCF 2230a_100015189416_100012161189 [1,1,0,0,0,0|2,0,0]=4 5386 B15R1.1178 N#Cc1ccc(cc1)CCNCCCF 34a_100015189369_100011934791 [1,1,0,0,0,0|2,0,0]=4 5387 B15R1.1178 N#Cc1ccc(cc1)CCNCCCF 34a_100015189416_100012161189 [1,1,0,0,0,0|2,0,0]=4 5388 B15R1.1178 N#Cc1ccc(cc1)CCNCCCO 2230a_100015189369_100000230001 [1,1,0,0,0,0|2,0,0]=4 5389 B15R1.1178 N#Cc1ccc(cc1)CCNCCCO 34a_100015189369_100000230001 [1,1,0,0,0,0|2,0,0]=4 5390 B15R1.12032 C#CCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000688953 [1,1,0,0,0,0|0,0,2]=4 5391 B15R1.12032 C/C=C/CNCCc1ccc(c(c1)O)O 34a_100000210387_100102629194 [1,1,0,0,0,0|0,0,2]=4 5392 B15R1.12032 C=CCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000754431 [1,1,0,0,0,0|0,0,2]=4 5393 B15R1.12032 CC#CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000748600 [1,1,0,0,0,0|0,0,2]=4 5394 B15R1.12032 CC=CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000070051 [1,1,0,0,0,0|0,0,2]=4 5395 B15R1.12032 CCCCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210314 [1,1,0,0,0,0|2,0,0]=4 5396 B15R1.12032 CCCCCCNc1ccc(c(c1)C)O 34a_100011218179_100000210314 [1,1,0,0,0,0|2,0,0]=4 5397 B15R1.12032 CCCCCCNc1ccc(c(c1)C)O 7a_100011218179_100000210314 [1,1,0,0,0,0|2,0,0]=4 5398 B15R1.12032 CCCCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210314 [1,1,0,0,0,0|2,0,0]=4 5399 B15R1.12032 CCCCCCNc1ccc(c(c1)F)O 34a_100011220035_100000210314 [1,1,0,0,0,0|2,0,0]=4 5400 B15R1.12032 CCCCCCNc1ccc(c(c1)F)O 7a_100011220035_100000210314 [1,1,0,0,0,0|2,0,0]=4 5401 B15R1.12032 CCCCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210314 [1,1,0,0,0,0|2,0,0]=4 5402 B15R1.12032 CCCCCCSc1ccc(c(c1)Br)O 62a_100000210314_100012361655 [1,1,0,0,0,0|2,0,0]=4 5403 B15R1.12032 CCCCCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210757 [1,1,0,0,0,0|2,0,0]=4 5404 B15R1.12032 CCCCCCSc1ccc(c(c1)C)O 62a_100000210314_100000186361 [1,1,0,0,0,0|2,0,0]=4 5405 B15R1.12032 CCCCCCSc1ccc(c(c1)Cl)O 62a_100000210314_100012360047 [1,1,0,0,0,0|2,0,0]=4 5406 B15R1.12032 CCCCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210757 [1,1,0,0,0,0|2,0,0]=4 5407 B15R1.12032 CCCCCCSc1ccc(c(c1)F)O 62a_100000185481_100000210757 [1,1,0,0,0,0|2,0,0]=4 5408 B15R1.12032 CCCCCCSc1ccc(c(c1)F)O 62a_100000210314_100000185481 [1,1,0,0,0,0|2,0,0]=4 5409 B15R1.12032 CCCCCCSc1ccc(c(c1)N)O 62a_100000210314_100000752626 [1,1,0,0,0,0|2,0,0]=4 5410 B15R1.12032 CCCCCCSc1ccc(c(c1)N)O 62a_100000752626_100000210757 [1,1,0,0,0,0|2,0,0]=4 5411 B15R1.12032 CCCCCCSc1ccc(c(c1)O)O 62a_100000210314_100009813601 [1,1,0,0,0,0|2,0,0]=4 5412 B15R1.12032 CCCCCNCc1ccc(c(c1)F)O 34a_100000758358_100000718602 [1,1,0,0,0,0|2,0,0]=4 5413 B15R1.12032 CCCCCNCc1ccc(c(c1)O)O 34a_100000010075_100000718602 [1,1,0,0,0,0|2,0,0]=4 5414 B15R1.12032 CCCCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210211 [1,1,0,0,0,0|1,0,0]=3 5415 B15R1.12032 CCCCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210210 [1,1,0,0,0,0|1,0,0]=3 5416 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100000102301_100011713676 [1,1,0,0,0,0|1,0,0]=3 5417 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210211 [1,1,0,0,0,0|1,0,0]=3 5418 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210210 [1,1,0,0,0,0|1,0,0]=3 5419 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 7a_106832991798_100011713676 [1,1,0,0,0,0|1,0,0]=3 5420 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 2230a_100000102301_100012361305 [1,1,0,0,0,0|1,0,0]=3 5421 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210211 [1,1,0,0,0,0|1,0,0]=3 5422 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210210 [1,1,0,0,0,0|1,0,0]=3 5423 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 7a_106832991798_100012361305 [1,1,0,0,0,0|1,0,0]=3 5424 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 2230a_100000102301_100000690553 [1,1,0,0,0,0|1,0,0]=3 5425 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210211 [1,1,0,0,0,0|1,0,0]=3 5426 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210210 [1,1,0,0,0,0|1,0,0]=3 5427 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 7a_106832991798_100000690553 [1,1,0,0,0,0|1,0,0]=3 5428 B15R1.12032 CCCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210210 [1,1,0,0,0,0|0,0,0]=2 5429 B15R1.12032 CCCCNCCc1ccc(c(c1)O)O 7a_106832991798_200010393615 [1,1,0,0,0,0|0,0,0]=2 5430 B15R1.12032 CCCCNN=Cc1ccc(c(c1)Br)O 4a_100025702795_100000184552 [1,1,0,0,0,0|1,0,1]=4 5431 B15R1.12032 CCCCNN=Cc1ccc(c(c1)C)O 4a_100025702795_100011215669 [1,1,0,0,0,0|1,0,1]=4 5432 B15R1.12032 CCCCNN=Cc1ccc(c(c1)Cl)O 4a_100025702795_100000186751 [1,1,0,0,0,0|1,0,1]=4 5433 B15R1.12032 CCCCNN=Cc1ccc(c(c1)F)O 4a_100025702795_100000742332 [1,1,0,0,0,0|1,0,1]=4 5434 B15R1.12032 CCCCNN=Cc1ccc(c(c1)I)O 4a_100025702795_100000186752 [1,1,0,0,0,0|1,0,1]=4 5435 B15R1.12032 CCCCNN=Cc1ccc(c(c1)O)O 4a_100025702795_100000184535 [1,1,0,0,0,0|1,0,1]=4 5436 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)Cl 34a_100000210227_100011713676 [1,1,0,0,0,0|2,0,0]=4 5437 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000210210 [1,1,0,0,0,0|2,0,0]=4 5438 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)Cl 7a_100000210227_100011713676 [1,1,0,0,0,0|2,0,0]=4 5439 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000210211 [1,1,0,0,0,0|2,0,0]=4 5440 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)F 34a_100000210227_100012361305 [1,1,0,0,0,0|2,0,0]=4 5441 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100000210210 [1,1,0,0,0,0|2,0,0]=4 5442 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)F 7a_100000210227_100012361305 [1,1,0,0,0,0|2,0,0]=4 5443 B15R1.12032 CCCCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100000210211 [1,1,0,0,0,0|2,0,0]=4 5444 B15R1.12032 CCCCOCCc1ccc(c(c1)F)Br 34a_100012921202_100000210210 [1,1,0,0,0,0|2,0,0]=4 5445 B15R1.12032 CCCCOCCc1ccc(c(c1)F)Br 7a_100012921202_100000210211 [1,1,0,0,0,0|2,0,0]=4 5446 B15R1.12032 CCCCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100000210210 [1,1,0,0,0,0|2,0,0]=4 5447 B15R1.12032 CCCCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100000210211 [1,1,0,0,0,0|2,0,0]=4 5448 B15R1.12032 CCCCOCCc1ccc(c(c1)F)F 34a_100000210227_100000690553 [1,1,0,0,0,0|2,0,0]=4 5449 B15R1.12032 CCCCOCCc1ccc(c(c1)F)F 34a_100000690376_100000210210 [1,1,0,0,0,0|2,0,0]=4 5450 B15R1.12032 CCCCOCCc1ccc(c(c1)F)F 7a_100000210227_100000690553 [1,1,0,0,0,0|2,0,0]=4 5451 B15R1.12032 CCCCOCCc1ccc(c(c1)F)F 7a_100000690376_100000210211 [1,1,0,0,0,0|2,0,0]=4 5452 B15R1.12032 CCCCOCCc1ccc(c(c1)O)O 7a_100000210227_200010393615 [1,1,0,0,0,0|1,0,0]=3 5453 B15R1.12032 CCCCOCNc1ccc(c(c1)Br)O 34a_100011534360_100011995733 [1,1,0,0,0,0|2,0,0]=4 5454 B15R1.12032 CCCCOCNc1ccc(c(c1)C)O 34a_100011218179_100011995733 [1,1,0,0,0,0|2,0,0]=4 5455 B15R1.12032 CCCCOCNc1ccc(c(c1)Cl)O 34a_100000744943_100011995733 [1,1,0,0,0,0|2,0,0]=4 5456 B15R1.12032 CCCCOCNc1ccc(c(c1)F)O 34a_100011220035_100011995733 [1,1,0,0,0,0|2,0,0]=4 5457 B15R1.12032 CCCCOCNc1ccc(c(c1)O)O 34a_100102946323_100011995733 [1,1,0,0,0,0|2,0,0]=4 5458 B15R1.12032 CCCCOCSc1ccc(c(c1)Br)O 62a_100011995733_100012361655 [1,1,0,0,0,0|2,0,0]=4 5459 B15R1.12032 CCCCOCSc1ccc(c(c1)Br)O 62a_100012361655_100011995733 [1,1,0,0,0,0|2,0,0]=4 5460 B15R1.12032 CCCCOCSc1ccc(c(c1)C)O 62a_100011995733_100000186361 [1,1,0,0,0,0|2,0,0]=4 5461 B15R1.12032 CCCCOCSc1ccc(c(c1)Cl)O 62a_100011995733_100012360047 [1,1,0,0,0,0|2,0,0]=4 5462 B15R1.12032 CCCCOCSc1ccc(c(c1)Cl)O 62a_100012360047_100011995733 [1,1,0,0,0,0|2,0,0]=4 5463 B15R1.12032 CCCCOCSc1ccc(c(c1)F)O 62a_100000185481_100011995733 [1,1,0,0,0,0|2,0,0]=4 5464 B15R1.12032 CCCCOCSc1ccc(c(c1)F)O 62a_100011995733_100000185481 [1,1,0,0,0,0|2,0,0]=4 5465 B15R1.12032 CCCCOCSc1ccc(c(c1)N)O 62a_100000752626_100011995733 [1,1,0,0,0,0|2,0,0]=4 5466 B15R1.12032 CCCCOCSc1ccc(c(c1)N)O 62a_100011995733_100000752626 [1,1,0,0,0,0|2,0,0]=4 5467 B15R1.12032 CCCCOCSc1ccc(c(c1)O)O 62a_100011995733_100009813601 [1,1,0,0,0,0|2,0,0]=4 5468 B15R1.12032 CCCCSCCc1ccc(c(c1)Cl)F 62a_100000210211_100012361305 [1,1,0,0,0,0|2,0,0]=4 5469 B15R1.12032 CCCCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100000210210 [1,1,0,0,0,0|2,0,0]=4 5470 B15R1.12032 CCCCSCCc1ccc(c(c1)F)F 62a_100000210211_100000690553 [1,1,0,0,0,0|2,0,0]=4 5471 B15R1.12032 CCCCSCCc1ccc(c(c1)F)F 62a_100000690553_100000210210 [1,1,0,0,0,0|2,0,0]=4 5472 B15R1.12032 CCCCSCCc1ccc(c(c1)O)O 62a_100000210211_200010393615 [1,1,0,0,0,0|1,0,0]=3 5473 B15R1.12032 CCOCSCCc1ccc(c(c1)O)O 62a_100000739092_200010393615 [1,1,0,0,0,0|2,0,0]=4 5474 B15R1.12032 COCCNCCc1ccc(c(c1)C)C 2230a_100020591374_100011201679 [1,1,0,0,0,0|2,0,0]=4 5475 B15R1.12032 COCCNCCc1ccc(c(c1)C)C 34a_100020591374_100011201679 [1,1,0,0,0,0|2,0,0]=4 5476 B15R1.12032 COCCNCCc1ccc(c(c1)Cl)Cl 2230a_100000209980_100011713676 [1,1,0,0,0,0|2,0,0]=4 5477 B15R1.12032 COCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100011201679 [1,1,0,0,0,0|2,0,0]=4 5478 B15R1.12032 COCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100011201679 [1,1,0,0,0,0|2,0,0]=4 5479 B15R1.12032 COCCNCCc1ccc(c(c1)Cl)F 2230a_100000209980_100012361305 [1,1,0,0,0,0|2,0,0]=4 5480 B15R1.12032 COCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100011201679 [1,1,0,0,0,0|2,0,0]=4 5481 B15R1.12032 COCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100011201679 [1,1,0,0,0,0|2,0,0]=4 5482 B15R1.12032 COCCNCCc1ccc(c(c1)F)F 2230a_100000209980_100000690553 [1,1,0,0,0,0|2,0,0]=4 5483 B15R1.12032 COCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100011201679 [1,1,0,0,0,0|2,0,0]=4 5484 B15R1.12032 COCCNCCc1ccc(c(c1)F)F 34a_200000706328_100011201679 [1,1,0,0,0,0|2,0,0]=4 5485 B15R1.12032 COCCNCCc1ccc(c(c1)O)O 34a_100000210387_100011201679 [1,1,0,0,0,0|1,0,0]=3 5486 B15R1.12032 COCCSCCc1ccc(c(c1)O)O 62a_100000233755_200010393615 [1,1,0,0,0,0|2,0,0]=4 5487 B15R1.12032 CSCCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000751147 [1,1,0,0,0,0|2,0,0]=4 5488 B15R1.12032 CSCCNCCc1ccc(c(c1)C)C 34a_100020591374_100000212216 [1,1,0,0,0,0|2,0,0]=4 5489 B15R1.12032 CSCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000751147 [1,1,0,0,0,0|2,0,0]=4 5490 B15R1.12032 CSCCNCCc1ccc(c(c1)Cl)Cl 2230a_100020590264_100011713676 [1,1,0,0,0,0|2,0,0]=4 5491 B15R1.12032 CSCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000212216 [1,1,0,0,0,0|2,0,0]=4 5492 B15R1.12032 CSCCNCCc1ccc(c(c1)Cl)F 2230a_100020590264_100012361305 [1,1,0,0,0,0|2,0,0]=4 5493 B15R1.12032 CSCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000751147 [1,1,0,0,0,0|2,0,0]=4 5494 B15R1.12032 CSCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000212216 [1,1,0,0,0,0|2,0,0]=4 5495 B15R1.12032 CSCCNCCc1ccc(c(c1)F)F 2230a_100020590264_100000690553 [1,1,0,0,0,0|2,0,0]=4 5496 B15R1.12032 CSCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000751147 [1,1,0,0,0,0|2,0,0]=4 5497 B15R1.12032 CSCCNCCc1ccc(c(c1)F)F 34a_200000706328_100000212216 [1,1,0,0,0,0|2,0,0]=4 5498 B15R1.12032 CSCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000212216 [1,1,0,0,0,0|1,0,0]=3 5499 B15R1.12032 CSCCOCCc1ccc(c(c1)O)O 7a_100000230434_200010393615 [1,1,0,0,0,0|2,0,0]=4 5500 B15R1.12032 CSCCSCCc1ccc(c(c1)O)O 62a_100000212216_200010393615 [1,1,0,0,0,0|2,0,0]=4 5501 B15R1.12032 Cc1ccc(cc1C)CCNCCCF 2230a_100020591374_100011934791 [1,1,0,0,0,0|2,0,0]=4 5502 B15R1.12032 Cc1ccc(cc1C)CCNCCCF 34a_100020591374_100011934791 [1,1,0,0,0,0|2,0,0]=4 5503 B15R1.12032 Cc1ccc(cc1C)CCNCCCO 2230a_100020591374_100000230001 [1,1,0,0,0,0|2,0,0]=4 5504 B15R1.12032 Cc1ccc(cc1C)CCNCCCO 34a_100020591374_100000230001 [1,1,0,0,0,0|2,0,0]=4 5505 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100011934791 [1,1,0,0,0,0|2,0,0]=4 5506 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100015189416_100011713676 [1,1,0,0,0,0|2,0,0]=4 5507 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100011934791 [1,1,0,0,0,0|2,0,0]=4 5508 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)Cl 34a_100015189416_100011713676 [1,1,0,0,0,0|2,0,0]=4 5509 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)F 2230a_100015189416_100012361305 [1,1,0,0,0,0|2,0,0]=4 5510 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100011934791 [1,1,0,0,0,0|2,0,0]=4 5511 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)F 34a_100015189416_100012361305 [1,1,0,0,0,0|2,0,0]=4 5512 B15R1.12032 FCCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100011934791 [1,1,0,0,0,0|2,0,0]=4 5513 B15R1.12032 FCCCNCCc1ccc(c(c1)F)F 2230a_100015189416_100000690553 [1,1,0,0,0,0|2,0,0]=4 5514 B15R1.12032 FCCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100011934791 [1,1,0,0,0,0|2,0,0]=4 5515 B15R1.12032 FCCCNCCc1ccc(c(c1)F)F 34a_100015189416_100000690553 [1,1,0,0,0,0|2,0,0]=4 5516 B15R1.12032 FCCCNCCc1ccc(c(c1)F)F 34a_200000706328_100011934791 [1,1,0,0,0,0|2,0,0]=4 5517 B15R1.12032 OCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000230001 [1,1,0,0,0,0|2,0,0]=4 5518 B15R1.12032 OCCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000230001 [1,1,0,0,0,0|2,0,0]=4 5519 B15R1.12032 OCCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000230001 [1,1,0,0,0,0|2,0,0]=4 5520 B15R1.12032 OCCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000230001 [1,1,0,0,0,0|2,0,0]=4 5521 B15R1.12032 OCCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000230001 [1,1,0,0,0,0|2,0,0]=4 5522 B15R1.12032 OCCCNCCc1ccc(c(c1)F)F 34a_200000706328_100000230001 [1,1,0,0,0,0|2,0,0]=4 5523 B15R1.12032 OCCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000230001 [1,1,0,0,0,0|1,0,0]=3 5524 B15R1.12032 OCCCSCCc1ccc(c(c1)O)O 62a_100011215043_200010393615 [1,1,0,0,0,0|2,0,0]=4 5525 B15R1.12032 Oc1ccc(cc1O)CCNCCCF 34a_100000210387_100011934791 [1,1,0,0,0,0|1,0,0]=3 5526 B15R1.12032 Oc1ccc(cc1O)CCSCCCF 62a_100011934791_200010393615 [1,1,0,0,0,0|2,0,0]=4 5527 B15R1.23 C#CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000038162 [1,1,0,0,0,0|0,0,2]=4 5528 B15R1.23 C=CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210623 [1,1,0,0,0,0|0,0,2]=4 5529 B15R1.23 C=CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210623 [1,1,0,0,0,0|0,0,2]=4 5530 B15R1.23 CC(CCO)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100009893172 [1,1,0,0,0,0|2,0,0]=4 5531 B15R1.23 CCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000211992_200011996143 [1,1,0,0,0,0|1,0,1]=4 5532 B15R1.23 CCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000211992_100000720402 [1,1,0,0,0,0|1,0,1]=4 5533 B15R1.23 CCCC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100000211992 [1,1,0,0,0,0|1,0,1]=4 5534 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011216630 [1,1,0,0,0,0|0,0,2]=4 5535 B15R1.23 CCCC(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100011216630 [1,1,0,0,0,0|2,0,0]=4 5536 B15R1.23 CCCC(C)CN(C)c1ccc(cc1)O 34a_100000182112_100011216630 [1,1,0,0,0,0|2,0,0]=4 5537 B15R1.23 CCCC(C)NC(=O)c1ccc(cc1)O 240690a_100000741246_100000212099 [1,1,0,0,0,0|0,0,2]=4 5538 B15R1.23 CCCC(C)NC(=O)c1ccc(cc1)O 527a_100000741246_100000212099 [1,1,0,0,0,0|0,0,2]=4 5539 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)Br 2230a_100000741246_100000755118 [1,1,0,0,0,0|2,0,0]=4 5540 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)Br 269862a_100000741246_100000185794 [1,1,0,0,0,0|2,0,0]=4 5541 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)C 2230a_100000741246_100011261388 [1,1,0,0,0,0|2,0,0]=4 5542 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)C 269862a_100000741246_100000185793 [1,1,0,0,0,0|2,0,0]=4 5543 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)Cl 2230a_100000741246_100000684792 [1,1,0,0,0,0|2,0,0]=4 5544 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)Cl 269862a_100000741246_100000185797 [1,1,0,0,0,0|2,0,0]=4 5545 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)F 2230a_100000741246_100000743420 [1,1,0,0,0,0|2,0,0]=4 5546 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)F 269862a_100000741246_100000185800 [1,1,0,0,0,0|2,0,0]=4 5547 B15R1.23 CCCC(C)NC(C)c1ccc(cc1)I 269862a_100000741246_100000185465 [1,1,0,0,0,0|2,0,0]=4 5548 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000766640 [1,1,0,0,0,0|2,0,0]=4 5549 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)F 270004a_100025705893_100000211909 [1,1,0,0,0,0|2,0,0]=4 5550 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000766640 [1,1,0,0,0,0|2,0,0]=4 5551 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000766640 [1,1,0,0,0,0|2,0,0]=4 5552 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)I 270004a_100000753911_100000211909 [1,1,0,0,0,0|2,0,0]=4 5553 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000766640 [1,1,0,0,0,0|1,0,0]=3 5554 B15R1.23 CCCC(C)N[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000211909 [1,1,0,0,0,0|1,0,0]=3 5555 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000766640 [1,1,0,0,0,0|2,0,0]=4 5556 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)Br 270004a_100000720352_100000211909 [1,1,0,0,0,0|2,0,0]=4 5557 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000766640 [1,1,0,0,0,0|2,0,0]=4 5558 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)C 270004a_100016988085_100000211909 [1,1,0,0,0,0|2,0,0]=4 5559 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)C 34a_100016988085_100000766640 [1,1,0,0,0,0|2,0,0]=4 5560 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000766640 [1,1,0,0,0,0|2,0,0]=4 5561 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)Cl 270004a_100015205461_100000211909 [1,1,0,0,0,0|2,0,0]=4 5562 B15R1.23 CCCC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000766640 [1,1,0,0,0,0|2,0,0]=4 5563 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000747261_100009814261 [1,1,0,0,0,0|0,0,2]=4 5564 B15R1.23 CCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000747261_200011996143 [1,1,0,0,0,0|1,0,0]=3 5565 B15R1.23 CCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210303 [1,1,0,0,0,0|0,0,0]=2 5566 B15R1.23 CCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210303 [1,1,0,0,0,0|0,0,0]=2 5567 B15R1.23 CCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000747261_100000720402 [1,1,0,0,0,0|1,0,0]=3 5568 B15R1.23 CN(CC#N)CC(O)c1ccc(cc1)O 2230a_100016988945_100011215382 [1,1,0,0,0,0|1,0,1]=4 5569 B15R1.23 CN(CC#N)CC(O)c1ccc(cc1)O 269982a_100016988945_100011214920 [1,1,0,0,0,0|1,0,1]=4 5570 B15R1.23 CN(CC=O)CC(O)c1ccc(cc1)O 2230a_100016988945_200015260668 [1,1,0,0,0,0|1,0,1]=4 5571 B15R1.23 CN(CC=O)CC(O)c1ccc(cc1)O 269982a_100016988945_200015260668 [1,1,0,0,0,0|1,0,1]=4 5572 B15R1.23 CN(CCF)CC(O)c1ccc(cc1)O 2230a_100016988945_100011217306 [1,1,0,0,0,0|1,0,0]=3 5573 B15R1.23 CN(CCF)CC(O)c1ccc(cc1)O 269982a_100016988945_100011217306 [1,1,0,0,0,0|1,0,0]=3 5574 B15R1.23 CN(CCO)CC(O)c1ccc(cc1)Cl 2230a_100000210263_200011996143 [1,1,0,0,0,0|2,0,0]=4 5575 B15R1.23 CN(CCO)CC(O)c1ccc(cc1)O 2230a_100016988945_100000211926 [1,1,0,0,0,0|1,0,0]=3 5576 B15R1.23 CN(CCO)CC(O)c1ccc(cc1)O 269982a_100016988945_100000211926 [1,1,0,0,0,0|1,0,0]=3 5577 B15R1.23 CN(CCO)C[C@H](O)c1ccc(cc1)F 2230a_100000210263_100000720402 [1,1,0,0,0,0|2,0,0]=4 5578 B15R1.23 COCC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000765312 [1,1,0,0,0,0|2,0,0]=4 5579 B15R1.23 COCC(C)N[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000749346 [1,1,0,0,0,0|2,0,0]=4 5580 B15R1.23 COCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000766300 [1,1,0,0,0,0|1,0,0]=3 5581 B15R1.23 COCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000766300 [1,1,0,0,0,0|1,0,0]=3 5582 B15R1.23 CSCC(C)N[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100011216314 [1,1,0,0,0,0|2,0,0]=4 5583 B15R1.23 CSCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100011218213 [1,1,0,0,0,0|1,0,0]=3 5584 B15R1.23 CSCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100011218213 [1,1,0,0,0,0|1,0,0]=3 5585 B15R1.38 CCCCNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_100000210211 [1,1,0,0,0,0|2,0,0]=4 5586 B15R1.38 CCCCNC(C)(C)c1ccc(cc1)C 2230a_200011345931_100000210211 [1,1,0,0,0,0|2,0,0]=4 5587 B15R1.38 CCCCNC(C)(C)c1ccc(cc1)C 34a_200011345931_100000210210 [1,1,0,0,0,0|2,0,0]=4 5588 B15R1.38 CCCCNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_100000210211 [1,1,0,0,0,0|2,0,0]=4 5589 B15R1.38 CCCCNC(C)(C)c1ccc(cc1)F 2230a_100015193028_100000210211 [1,1,0,0,0,0|2,0,0]=4 5590 B15R1.38 CCCCNC(C)(C)c1ccc(cc1)F 34a_100015193028_100000210210 [1,1,0,0,0,0|2,0,0]=4 5591 B15R1.38 CCCCNS(=O)(=O)c1ccc(cc1)O 270084a_100000102301_100020667864 [1,1,0,0,0,0|1,0,1]=4 5592 B15R1.38 CCCCNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_200000164982 [1,1,0,0,0,0|1,0,1]=4 5593 B15R1.38 CCCCNS(=O)(=O)c1ccc(cc1)O 274078a_100000102301_100020667864 [1,1,0,0,0,0|1,0,1]=4 5594 B15R1.38 CCCNCC(C)(C)c1ccc(cc1)Br 270004a_100020643023_100010228009 [1,1,0,0,0,0|2,0,0]=4 5595 B15R1.38 CCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210303 [1,1,0,0,0,0|2,0,0]=4 5596 B15R1.101 CCC(NCCCF)c1ccc(cc1)O 34a_100015187210_100011934791 [1,1,0,0,0,0|2,0,0]=4 5597 B15R1.101 CCC(NCCCO)c1ccc(cc1)O 34a_100015187210_100000230001 [1,1,0,0,0,0|2,0,0]=4 5598 B15R1.101 CCC(NCCOC)c1ccc(cc1)O 34a_100015187210_100011201679 [1,1,0,0,0,0|2,0,0]=4 5599 B15R1.101 CCC(NCCSC)c1ccc(cc1)O 34a_100015187210_100000212216 [1,1,0,0,0,0|2,0,0]=4 5600 B15R1.101 CCCCCC(NC)c1ccc(cc1)Br 269862a_106832991636_200011267725 [1,1,0,0,0,0|2,0,0]=4 5601 B15R1.101 CCCCCC(NC)c1ccc(cc1)C 269862a_106832991636_100011268020 [1,1,0,0,0,0|2,0,0]=4 5602 B15R1.101 CCCCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_200011267697 [1,1,0,0,0,0|2,0,0]=4 5603 B15R1.101 CCCCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210326 [1,1,0,0,0,0|2,0,0]=4 5604 B15R1.101 CCCCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210215 [1,1,0,0,0,0|2,0,0]=4 5605 B15R1.101 CCCCCN(CC)c1ccc(cc1)O 34a_100011337800_100000718602 [1,1,0,0,0,0|2,0,0]=4 5606 B15R1.101 CCCCNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_100000210211 [1,1,0,0,0,0|2,0,0]=4 5607 B15R1.101 CCCCNC(C#N)c1ccc(cc1)F 2230a_100020612109_100000210211 [1,1,0,0,0,0|2,0,0]=4 5608 B15R1.101 CCCCNC(C#N)c1ccc(cc1)F 34a_100020612109_100000210210 [1,1,0,0,0,0|2,0,0]=4 5609 B15R1.101 CCCCNC(CC)c1ccc(cc1)Br 269862a_100000102301_100000211647 [1,1,0,0,0,0|2,0,0]=4 5610 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210211 [1,1,0,0,0,0|2,0,0]=4 5611 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 269862a_100000102301_100000185863 [1,1,0,0,0,0|2,0,0]=4 5612 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210210 [1,1,0,0,0,0|2,0,0]=4 5613 B15R1.101 CCCCNC(CC)c1ccc(cc1)Cl 269862a_100000102301_100000210983 [1,1,0,0,0,0|2,0,0]=4 5614 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210211 [1,1,0,0,0,0|2,0,0]=4 5615 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 269862a_100000102301_100000211089 [1,1,0,0,0,0|2,0,0]=4 5616 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210210 [1,1,0,0,0,0|2,0,0]=4 5617 B15R1.101 CCCCNC(CC)c1ccc(cc1)I 269862a_100000102301_100000763097 [1,1,0,0,0,0|2,0,0]=4 5618 B15R1.101 CCCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210210 [1,1,0,0,0,0|1,0,0]=3 5619 B15R1.101 CCCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210211 [1,1,0,0,0,0|1,0,0]=3 5620 B15R1.101 CCCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210210 [1,1,0,0,0,0|1,0,0]=3 5621 B15R1.101 CCCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210211 [1,1,0,0,0,0|1,0,0]=3 5622 B15R1.101 CCCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210210 [1,1,0,0,0,0|1,0,0]=3 5623 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210211 [1,1,0,0,0,0|2,0,0]=4 5624 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210210 [1,1,0,0,0,0|2,0,0]=4 5625 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210211 [1,1,0,0,0,0|2,0,0]=4 5626 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210210 [1,1,0,0,0,0|2,0,0]=4 5627 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210211 [1,1,0,0,0,0|1,0,0]=3 5628 B15R1.101 CCCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210210 [1,1,0,0,0,0|1,0,0]=3 5629 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210211 [1,1,0,0,0,0|1,0,0]=3 5630 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210210 [1,1,0,0,0,0|1,0,0]=3 5631 B15R1.101 COCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100011201679 [1,1,0,0,0,0|2,0,0]=4 5632 B15R1.101 COCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100011201679 [1,1,0,0,0,0|2,0,0]=4 5633 B15R1.101 COCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100011201679 [1,1,0,0,0,0|2,0,0]=4 5634 B15R1.101 COCCNC(CO)c1ccc(cc1)F 34a_100000705410_100011201679 [1,1,0,0,0,0|2,0,0]=4 5635 B15R1.101 COCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100011201679 [1,1,0,0,0,0|2,0,0]=4 5636 B15R1.101 COCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100011201679 [1,1,0,0,0,0|2,0,0]=4 5637 B15R1.101 COCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100011201679 [1,1,0,0,0,0|2,0,0]=4 5638 B15R1.101 COCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100011201679 [1,1,0,0,0,0|2,0,0]=4 5639 B15R1.101 CSCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000751147 [1,1,0,0,0,0|2,0,0]=4 5640 B15R1.101 CSCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000212216 [1,1,0,0,0,0|2,0,0]=4 5641 B15R1.101 CSCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000751147 [1,1,0,0,0,0|2,0,0]=4 5642 B15R1.101 CSCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000212216 [1,1,0,0,0,0|2,0,0]=4 5643 B15R1.101 CSCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000751147 [1,1,0,0,0,0|2,0,0]=4 5644 B15R1.101 CSCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000212216 [1,1,0,0,0,0|2,0,0]=4 5645 B15R1.101 CSCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000751147 [1,1,0,0,0,0|2,0,0]=4 5646 B15R1.101 CSCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000212216 [1,1,0,0,0,0|2,0,0]=4 5647 B15R1.101 Cc1ccc(cc1)[C@H](CO)NCCCF 2230a_100009818840_100011934791 [1,1,0,0,0,0|2,0,0]=4 5648 B15R1.101 Cc1ccc(cc1)[C@H](CO)NCCCF 34a_100009818840_100011934791 [1,1,0,0,0,0|2,0,0]=4 5649 B15R1.101 Cc1ccc(cc1)[C@H](CO)NCCCO 2230a_100009818840_100000230001 [1,1,0,0,0,0|2,0,0]=4 5650 B15R1.101 Cc1ccc(cc1)[C@H](CO)NCCCO 34a_100009818840_100000230001 [1,1,0,0,0,0|2,0,0]=4 5651 B15R1.101 OCC(NCCCF)c1ccc(cc1)Br 2230a_100000734186_100011934791 [1,1,0,0,0,0|2,0,0]=4 5652 B15R1.101 OCC(NCCCF)c1ccc(cc1)Br 34a_100000734186_100011934791 [1,1,0,0,0,0|2,0,0]=4 5653 B15R1.101 OCC(NCCCF)c1ccc(cc1)F 2230a_100000705410_100011934791 [1,1,0,0,0,0|2,0,0]=4 5654 B15R1.101 OCC(NCCCF)c1ccc(cc1)F 34a_100000705410_100011934791 [1,1,0,0,0,0|2,0,0]=4 5655 B15R1.101 OCCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000230001 [1,1,0,0,0,0|2,0,0]=4 5656 B15R1.101 OCCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000230001 [1,1,0,0,0,0|2,0,0]=4 5657 B15R1.101 OCCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000230001 [1,1,0,0,0,0|2,0,0]=4 5658 B15R1.101 OCCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000230001 [1,1,0,0,0,0|2,0,0]=4 5659 B15R1.101 OCCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000230001 [1,1,0,0,0,0|2,0,0]=4 5660 B15R1.101 OCCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000230001 [1,1,0,0,0,0|2,0,0]=4 5661 B15R1.101 OC[C@@H](NCCCF)c1ccc(cc1)Cl 2230a_100009818818_100011934791 [1,1,0,0,0,0|2,0,0]=4 5662 B15R1.101 OC[C@@H](NCCCF)c1ccc(cc1)Cl 34a_100009818818_100011934791 [1,1,0,0,0,0|2,0,0]=4 5663 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_200000035995 [1,1,0,0,0,0|0,0,2]=4 5664 B15R1.132 CC(CO)NCC(C)c1ccc(cc1)O 34a_200015188644_100012180447 [1,1,0,0,0,0|2,0,0]=4 5665 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100012180447 [1,1,0,0,0,0|2,0,0]=4 5666 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Br 34a_100020626992_100012180447 [1,1,0,0,0,0|2,0,0]=4 5667 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100012180447 [1,1,0,0,0,0|2,0,0]=4 5668 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100012180447 [1,1,0,0,0,0|2,0,0]=4 5669 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)O 34a_100000067596_100012180447 [1,1,0,0,0,0|1,0,0]=3 5670 B15R1.132 CCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000210414 [1,1,0,0,0,0|1,0,1]=4 5671 B15R1.132 CCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000210414 [1,1,0,0,0,0|1,0,1]=4 5672 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210414 [1,1,0,0,0,0|1,0,1]=4 5673 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210414 [1,1,0,0,0,0|1,0,1]=4 5674 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000210414 [1,1,0,0,0,0|1,0,1]=4 5675 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000210414 [1,1,0,0,0,0|1,0,1]=4 5676 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000210414 [1,1,0,0,0,0|1,0,1]=4 5677 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210414 [1,1,0,0,0,0|1,0,1]=4 5678 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210414 [1,1,0,0,0,0|1,0,1]=4 5679 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210414 [1,1,0,0,0,0|0,0,1]=3 5680 B15R1.132 CCC(C)CNC(=O)c1ccc(cc1)O 240690a_100020588543_100000212099 [1,1,0,0,0,0|0,0,2]=4 5681 B15R1.132 CCC(C)CNC(=O)c1ccc(cc1)O 527a_100020588543_100000212099 [1,1,0,0,0,0|0,0,2]=4 5682 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)Br 2230a_100020588543_100000755118 [1,1,0,0,0,0|2,0,0]=4 5683 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)Br 269862a_100020588543_100000185794 [1,1,0,0,0,0|2,0,0]=4 5684 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)C 2230a_100020588543_100011261388 [1,1,0,0,0,0|2,0,0]=4 5685 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)C 269862a_100020588543_100000185793 [1,1,0,0,0,0|2,0,0]=4 5686 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)Cl 2230a_100020588543_100000684792 [1,1,0,0,0,0|2,0,0]=4 5687 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)Cl 269862a_100020588543_100000185797 [1,1,0,0,0,0|2,0,0]=4 5688 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)F 2230a_100020588543_100000743420 [1,1,0,0,0,0|2,0,0]=4 5689 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)F 269862a_100020588543_100000185800 [1,1,0,0,0,0|2,0,0]=4 5690 B15R1.132 CCC(C)CNC(C)c1ccc(cc1)I 269862a_100020588543_100000185465 [1,1,0,0,0,0|2,0,0]=4 5691 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000748023 [1,1,0,0,0,0|2,0,0]=4 5692 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)F 270004a_100025705893_100000243153 [1,1,0,0,0,0|2,0,0]=4 5693 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000748023 [1,1,0,0,0,0|2,0,0]=4 5694 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000748023 [1,1,0,0,0,0|2,0,0]=4 5695 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)I 270004a_100000753911_100000243153 [1,1,0,0,0,0|2,0,0]=4 5696 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000748023 [1,1,0,0,0,0|1,0,0]=3 5697 B15R1.132 CCC(C)CN[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000243153 [1,1,0,0,0,0|1,0,0]=3 5698 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000748023 [1,1,0,0,0,0|2,0,0]=4 5699 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)Br 270004a_100000720352_100000243153 [1,1,0,0,0,0|2,0,0]=4 5700 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000748023 [1,1,0,0,0,0|2,0,0]=4 5701 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)C 270004a_100016988085_100000243153 [1,1,0,0,0,0|2,0,0]=4 5702 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000748023 [1,1,0,0,0,0|2,0,0]=4 5703 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000748023 [1,1,0,0,0,0|2,0,0]=4 5704 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)Cl 270004a_100015205461_100000243153 [1,1,0,0,0,0|2,0,0]=4 5705 B15R1.132 CCC(C)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000748023 [1,1,0,0,0,0|2,0,0]=4 5706 B15R1.132 CCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100011215416 [1,1,0,0,0,0|1,0,0]=3 5707 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000758301 [1,1,0,0,0,0|1,0,0]=3 5708 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100011215416 [1,1,0,0,0,0|1,0,0]=3 5709 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_100000758301 [1,1,0,0,0,0|1,0,0]=3 5710 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_100011215416 [1,1,0,0,0,0|1,0,0]=3 5711 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000209981_200011996143 [1,1,0,0,0,0|1,0,0]=3 5712 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000758301 [1,1,0,0,0,0|1,0,0]=3 5713 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215416 [1,1,0,0,0,0|1,0,0]=3 5714 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100011215416 [1,1,0,0,0,0|0,0,0]=2 5715 B15R1.132 CCC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000209981_100000720402 [1,1,0,0,0,0|1,0,0]=3 5716 B15R1.132 CCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000210228_200011996143 [1,1,0,0,0,0|2,0,0]=4 5717 B15R1.132 CCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000210228_100000720402 [1,1,0,0,0,0|2,0,0]=4 5718 B15R1.132 CCC(C)SCC(O)c1ccc(cc1)Cl 62a_100000758301_200011996143 [1,1,0,0,0,0|2,0,0]=4 5719 B15R1.132 CCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000758301 [1,1,0,0,0,0|2,0,0]=4 5720 B15R1.132 CCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000758301 [1,1,0,0,0,0|2,0,0]=4 5721 B15R1.132 CCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000758301_100000720402 [1,1,0,0,0,0|2,0,0]=4 5722 B15R1.132 CCC(O)CNC(=O)c1ccc(cc1)O 240690a_100011218483_100000212099 [1,1,0,0,0,0|0,0,2]=4 5723 B15R1.132 CCC(O)CNC(=O)c1ccc(cc1)O 527a_100011218483_100000212099 [1,1,0,0,0,0|0,0,2]=4 5724 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)Br 2230a_100011218483_100000755118 [1,1,0,0,0,0|2,0,0]=4 5725 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)Br 269862a_100011218483_100000185794 [1,1,0,0,0,0|2,0,0]=4 5726 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)C 2230a_100011218483_100011261388 [1,1,0,0,0,0|2,0,0]=4 5727 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)C 269862a_100011218483_100000185793 [1,1,0,0,0,0|2,0,0]=4 5728 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)Cl 2230a_100011218483_100000684792 [1,1,0,0,0,0|2,0,0]=4 5729 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)Cl 269862a_100011218483_100000185797 [1,1,0,0,0,0|2,0,0]=4 5730 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)F 2230a_100011218483_100000743420 [1,1,0,0,0,0|2,0,0]=4 5731 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)F 269862a_100011218483_100000185800 [1,1,0,0,0,0|2,0,0]=4 5732 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)I 269862a_100011218483_100000185465 [1,1,0,0,0,0|2,0,0]=4 5733 B15R1.132 CCC(O)CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011218378 [1,1,0,0,0,0|2,0,0]=4 5734 B15R1.132 CCC(O)CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011218378 [1,1,0,0,0,0|2,0,0]=4 5735 B15R1.132 CCC(O)CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011218378 [1,1,0,0,0,0|2,0,0]=4 5736 B15R1.132 CCC(O)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218378 [1,1,0,0,0,0|1,0,0]=3 5737 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011218378 [1,1,0,0,0,0|2,0,0]=4 5738 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011218378 [1,1,0,0,0,0|2,0,0]=4 5739 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011218378 [1,1,0,0,0,0|2,0,0]=4 5740 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011218378 [1,1,0,0,0,0|2,0,0]=4 5741 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011218378 [1,1,0,0,0,0|2,0,0]=4 5742 B15R1.132 CC[C@H](C)CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100009816398 [1,1,0,0,0,0|2,0,0]=4 5743 B15R1.132 CC[C@H](C)CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100009816398 [1,1,0,0,0,0|2,0,0]=4 5744 B15R1.132 CC[C@H](C)CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100009816398 [1,1,0,0,0,0|2,0,0]=4 5745 B15R1.132 CC[C@H](C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100009816398 [1,1,0,0,0,0|1,0,0]=3 5746 B15R1.132 CC[C@H](C)CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100009816398 [1,1,0,0,0,0|2,0,0]=4 5747 B15R1.132 CC[C@H](C)CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100009816398 [1,1,0,0,0,0|2,0,0]=4 5748 B15R1.132 CC[C@H](C)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100009816398 [1,1,0,0,0,0|2,0,0]=4 5749 B15R1.132 CC[C@H](C)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100009816398 [1,1,0,0,0,0|2,0,0]=4 5750 B15R1.132 CC[C@H](C)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100009816398 [1,1,0,0,0,0|2,0,0]=4 5751 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 2708a_100102657272_100000067596 [1,1,0,0,0,0|1,0,1]=4 5752 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 273464a_100102657272_100000067596 [1,1,0,0,0,0|1,0,1]=4 5753 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 512a_106832991638_100000067596 [1,1,0,0,0,0|1,0,1]=4 5754 B15R1.132 C[C@@H](CO)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000059175 [1,1,0,0,0,0|2,0,0]=4 5755 B15R1.132 C[C@H](CO)NCC(O)c1ccc(cc1)Cl 2230a_100000737577_200011996143 [1,1,0,0,0,0|2,0,0]=4 5756 B15R1.132 C[C@H](CO)NC[C@H](O)c1ccc(cc1)F 2230a_100000737577_100000720402 [1,1,0,0,0,0|2,0,0]=4 5757 B15R1.132 C[C@H](NCC(O)CO)c1ccc(cc1)O 2230a_100161106496_100011219619 [1,1,0,0,0,0|2,0,0]=4 5758 B15R1.132 C[C@H](NC[C@@H](O)CF)c1ccc(cc1)O 2230a_100161106496_100015614560 [1,1,0,0,0,0|2,0,0]=4 5759 B15R1.132 C[C@H](NC[C@@H](O)CO)c1ccc(cc1)O 2230a_100161106496_100009815848 [1,1,0,0,0,0|2,0,0]=4 5760 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)CO 2230a_200020610344_100012180447 [1,1,0,0,0,0|2,0,0]=4 5761 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)CO 34a_200020610344_100012180447 [1,1,0,0,0,0|2,0,0]=4 5762 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210174 [1,1,0,0,0,0|1,0,1]=4 5763 B15R1.135 CCCCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210211 [1,1,0,0,0,0|1,0,1]=4 5764 B15R1.135 CCCCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210211 [1,1,0,0,0,0|1,0,1]=4 5765 B15R1.135 CCCCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210211 [1,1,0,0,0,0|1,0,1]=4 5766 B15R1.135 CCCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210211 [1,1,0,0,0,0|0,0,1]=3 5767 B15R1.135 CCCCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210211 [1,1,0,0,0,0|1,0,1]=4 5768 B15R1.135 CCCCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210211 [1,1,0,0,0,0|1,0,1]=4 5769 B15R1.135 CCCCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_200011215066 [1,1,0,0,0,0|0,0,2]=4 5770 B15R1.135 CCCCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_200011215066 [1,1,0,0,0,0|2,0,0]=4 5771 B15R1.135 CCCCC(C)N(C)c1ccc(cc1)O 34a_100000182112_200011215066 [1,1,0,0,0,0|2,0,0]=4 5772 B15R1.135 CCCCN(C)C(=O)c1ccc(cc1)O 240690a_100000207549_100000212099 [1,1,0,0,0,0|0,0,2]=4 5773 B15R1.135 CCCCN(C)C(=O)c1ccc(cc1)O 527a_100000207549_100000212099 [1,1,0,0,0,0|0,0,2]=4 5774 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Br 2230a_100000207549_100000755118 [1,1,0,0,0,0|2,0,0]=4 5775 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210211 [1,1,0,0,0,0|2,0,0]=4 5776 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Br 269982a_100000207549_100000755118 [1,1,0,0,0,0|2,0,0]=4 5777 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000210211 [1,1,0,0,0,0|2,0,0]=4 5778 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)C 2230a_100000207549_100011261388 [1,1,0,0,0,0|2,0,0]=4 5779 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)C 269982a_100000207549_100011261388 [1,1,0,0,0,0|2,0,0]=4 5780 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Cl 2230a_100000207549_100000684792 [1,1,0,0,0,0|2,0,0]=4 5781 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210211 [1,1,0,0,0,0|2,0,0]=4 5782 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Cl 269982a_100000207549_100000684792 [1,1,0,0,0,0|2,0,0]=4 5783 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000210211 [1,1,0,0,0,0|2,0,0]=4 5784 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)F 2230a_100000207549_100000743420 [1,1,0,0,0,0|2,0,0]=4 5785 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210211 [1,1,0,0,0,0|2,0,0]=4 5786 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)F 269982a_100000207549_100000743420 [1,1,0,0,0,0|2,0,0]=4 5787 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000210211 [1,1,0,0,0,0|2,0,0]=4 5788 B15R1.135 CCCCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000210210 [1,1,0,0,0,0|2,0,0]=4 5789 B15R1.135 CCCNC(=O)C(C)c1ccc(cc1)O 240690a_100020643023_100000031422 [1,1,0,0,0,0|1,0,1]=4 5790 B15R1.135 CCCNC(=O)C(O)c1ccc(cc1)Br 240690a_100020643023_100000756554 [1,1,0,0,0,0|1,0,1]=4 5791 B15R1.135 CCCNC(=O)C(O)c1ccc(cc1)F 240690a_100020643023_100000209909 [1,1,0,0,0,0|1,0,1]=4 5792 B15R1.135 CCCNC(=O)C(O)c1ccc(cc1)O 240690a_100020643023_100011215213 [1,1,0,0,0,0|0,0,1]=3 5793 B15R1.135 CCCNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100020643023_100009815954 [1,1,0,0,0,0|1,0,1]=4 5794 B15R1.135 CCCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100020643023_100009817493 [1,1,0,0,0,0|1,0,1]=4 5795 B15R1.135 CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210303 [1,1,0,0,0,0|1,0,0]=3 5796 B15R1.135 CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210303 [1,1,0,0,0,0|1,0,0]=3 5797 B15R1.135 CCNNC(=O)C(O)c1ccc(cc1)O 22a_100000756455_100011215213 [1,1,0,0,0,0|1,0,1]=4 5798 B15R1.135 COCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000233755 [1,1,0,0,0,0|1,0,1]=4 5799 B15R1.135 COCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000766300 [1,1,0,0,0,0|2,0,0]=4 5800 B15R1.135 CSCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000751147 [1,1,0,0,0,0|1,0,1]=4 5801 B15R1.135 CSCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011218213 [1,1,0,0,0,0|2,0,0]=4 5802 B15R1.135 CSCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011218213 [1,1,0,0,0,0|2,0,0]=4 5803 B15R1.135 C[C@@H](NCCF)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011217306 [1,1,0,0,0,0|2,0,0]=4 5804 B15R1.135 C[C@@H](NCCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011217306 [1,1,0,0,0,0|2,0,0]=4 5805 B15R1.135 C[C@@H](NCCO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000211926 [1,1,0,0,0,0|2,0,0]=4 5806 B15R1.135 C[C@@H](NCCO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000211926 [1,1,0,0,0,0|2,0,0]=4 5807 B15R1.135 O=C(CCCF)C(O)c1ccc(cc1)O 1458a_100011215213_100011934791 [1,1,0,0,0,0|1,0,1]=4 5808 B15R1.135 O=C(CCCO)C(O)c1ccc(cc1)O 1458a_100011215213_100011215043 [1,1,0,0,0,0|1,0,1]=4 5809 B15R1.135 O=C(NCCF)C(O)c1ccc(cc1)O 240690a_100000724931_100011215213 [1,1,0,0,0,0|1,0,1]=4 5810 B15R1.135 O=C(NCCO)C(O)c1ccc(cc1)O 240690a_100000210304_100011215213 [1,1,0,0,0,0|1,0,1]=4 5811 B15R1.882 C=C(C)CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000730704 [1,1,0,0,0,0|1,0,1]=4 5812 B15R1.882 C=C(C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000748629 [1,1,0,0,0,0|1,0,1]=4 5813 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000748629 [1,1,0,0,0,0|1,0,1]=4 5814 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000748629 [1,1,0,0,0,0|1,0,1]=4 5815 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000748629 [1,1,0,0,0,0|1,0,1]=4 5816 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000748629 [1,1,0,0,0,0|1,0,1]=4 5817 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000748629 [1,1,0,0,0,0|1,0,1]=4 5818 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000748629 [1,1,0,0,0,0|1,0,1]=4 5819 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000748629 [1,1,0,0,0,0|0,0,1]=3 5820 B15R1.882 C=C(F)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009893438 [1,1,0,0,0,0|0,0,2]=4 5821 B15R1.882 CC(Br)COCC(O)c1ccc(cc1)Cl 34a_100012180447_200011996143 [1,1,0,0,0,0|2,0,0]=4 5822 B15R1.882 CC(Br)COC[C@H](O)c1ccc(cc1)F 34a_100012180447_100000720402 [1,1,0,0,0,0|2,0,0]=4 5823 B15R1.882 CC(C)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214892 [1,1,0,0,0,0|0,0,2]=4 5824 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)O 269982a_100000182112_100011214892 [1,1,0,0,0,0|2,0,0]=4 5825 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)O 34a_100000182112_100011214892 [1,1,0,0,0,0|2,0,0]=4 5826 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)O 240690a_100000210545_100000212099 [1,1,0,0,0,0|0,0,2]=4 5827 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)O 527a_100000210545_100000212099 [1,1,0,0,0,0|0,0,2]=4 5828 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)Br 269862a_100000210545_100000185794 [1,1,0,0,0,0|2,0,0]=4 5829 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)Cl 269862a_100000210545_100000185797 [1,1,0,0,0,0|2,0,0]=4 5830 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)F 269862a_100000210545_100000185800 [1,1,0,0,0,0|2,0,0]=4 5831 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)I 269862a_100000210545_100000185465 [1,1,0,0,0,0|2,0,0]=4 5832 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210312 [1,1,0,0,0,0|2,0,0]=4 5833 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)F 269862a_100025705893_100000185833 [1,1,0,0,0,0|2,0,0]=4 5834 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210312 [1,1,0,0,0,0|2,0,0]=4 5835 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210312 [1,1,0,0,0,0|2,0,0]=4 5836 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)I 269862a_100000753911_100000185833 [1,1,0,0,0,0|2,0,0]=4 5837 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210312 [1,1,0,0,0,0|1,0,0]=3 5838 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210312 [1,1,0,0,0,0|2,0,0]=4 5839 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Br 269862a_100000720352_100000185833 [1,1,0,0,0,0|2,0,0]=4 5840 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210312 [1,1,0,0,0,0|2,0,0]=4 5841 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Cl 269862a_100015205461_100000185833 [1,1,0,0,0,0|2,0,0]=4 5842 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210312 [1,1,0,0,0,0|2,0,0]=4 5843 B15R1.882 CC(C)CNCC(=O)c1ccc(cc1)O 34a_100000210953_100009814261 [1,1,0,0,0,0|0,0,2]=4 5844 B15R1.882 CC(C)CNCC(C)c1ccc(cc1)O 270004a_200015188644_100000210432 [1,1,0,0,0,0|1,0,0]=3 5845 B15R1.882 CC(C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000210624 [1,1,0,0,0,0|1,0,0]=3 5846 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210760 [1,1,0,0,0,0|1,0,0]=3 5847 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100000210432 [1,1,0,0,0,0|1,0,0]=3 5848 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210624 [1,1,0,0,0,0|1,0,0]=3 5849 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000210953_200011996143 [1,1,0,0,0,0|1,0,0]=3 5850 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210760 [1,1,0,0,0,0|1,0,0]=3 5851 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000210432 [1,1,0,0,0,0|1,0,0]=3 5852 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 34a_100000210953_200011996143 [1,1,0,0,0,0|1,0,0]=3 5853 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210624 [1,1,0,0,0,0|1,0,0]=3 5854 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000210624 [1,1,0,0,0,0|0,0,0]=2 5855 B15R1.882 CC(C)CNC[C@H](O)c1ccc(cc1)F 2230a_100000210953_100000720402 [1,1,0,0,0,0|1,0,0]=3 5856 B15R1.882 CC(C)CNC[C@H](O)c1ccc(cc1)F 34a_100000210953_100000720402 [1,1,0,0,0,0|1,0,0]=3 5857 B15R1.882 CC(C)COCC(O)c1ccc(cc1)Cl 34a_100000210257_200011996143 [1,1,0,0,0,0|2,0,0]=4 5858 B15R1.882 CC(C)COC[C@H](O)c1ccc(cc1)F 34a_100000210257_100000720402 [1,1,0,0,0,0|2,0,0]=4 5859 B15R1.882 CC(C)CSCC(O)c1ccc(cc1)Cl 62a_100000210624_200011996143 [1,1,0,0,0,0|2,0,0]=4 5860 B15R1.882 CC(C)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210760 [1,1,0,0,0,0|2,0,0]=4 5861 B15R1.882 CC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000210624_100000720402 [1,1,0,0,0,0|2,0,0]=4 5862 B15R1.882 CC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210760 [1,1,0,0,0,0|2,0,0]=4 5863 B15R1.882 CC(C)OCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000709892 [1,1,0,0,0,0|2,0,0]=4 5864 B15R1.882 CC(CNCC(F)F)c1ccc(cc1)O 34a_200015188644_100011934356 [1,1,0,0,0,0|2,0,0]=4 5865 B15R1.882 CC(CNC[C@@H](C)O)c1ccc(cc1)O 34a_200015188644_100009817552 [1,1,0,0,0,0|1,0,0]=3 5866 B15R1.882 CC(F)COCC(O)c1ccc(cc1)Cl 34a_100015925927_200011996143 [1,1,0,0,0,0|2,0,0]=4 5867 B15R1.882 CC(F)COC[C@H](O)c1ccc(cc1)F 34a_100015925927_100000720402 [1,1,0,0,0,0|2,0,0]=4 5868 B15R1.882 CC(O)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_200000718107 [1,1,0,0,0,0|0,0,2]=4 5869 B15R1.882 CC(O)CCCN(C)c1ccc(cc1)O 269982a_100000182112_200000718107 [1,1,0,0,0,0|2,0,0]=4 5870 B15R1.882 CC(O)CCCN(C)c1ccc(cc1)O 34a_100000182112_200000718107 [1,1,0,0,0,0|2,0,0]=4 5871 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)O 240690a_200000755665_100000212099 [1,1,0,0,0,0|0,0,2]=4 5872 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)O 527a_200000755665_100000212099 [1,1,0,0,0,0|0,0,2]=4 5873 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)Br 2230a_200000755665_100000755118 [1,1,0,0,0,0|2,0,0]=4 5874 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)Br 269862a_200000755665_100000185794 [1,1,0,0,0,0|2,0,0]=4 5875 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)Cl 2230a_200000755665_100000684792 [1,1,0,0,0,0|2,0,0]=4 5876 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)Cl 269862a_200000755665_100000185797 [1,1,0,0,0,0|2,0,0]=4 5877 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)F 2230a_200000755665_100000743420 [1,1,0,0,0,0|2,0,0]=4 5878 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)F 269862a_200000755665_100000185800 [1,1,0,0,0,0|2,0,0]=4 5879 B15R1.882 CC(O)CCNC(C)c1ccc(cc1)I 269862a_200000755665_100000185465 [1,1,0,0,0,0|2,0,0]=4 5880 B15R1.882 CC(O)CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100012276601 [1,1,0,0,0,0|2,0,0]=4 5881 B15R1.882 CC(O)CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100012276601 [1,1,0,0,0,0|2,0,0]=4 5882 B15R1.882 CC(O)CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100012276601 [1,1,0,0,0,0|2,0,0]=4 5883 B15R1.882 CC(O)CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100012276601 [1,1,0,0,0,0|1,0,0]=3 5884 B15R1.882 CC(O)CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100012276601 [1,1,0,0,0,0|2,0,0]=4 5885 B15R1.882 CC(O)CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100012276601 [1,1,0,0,0,0|2,0,0]=4 5886 B15R1.882 CC(O)CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100012276601 [1,1,0,0,0,0|2,0,0]=4 5887 B15R1.882 CC(O)CNCC(=O)c1ccc(cc1)O 34a_100000210904_100009814261 [1,1,0,0,0,0|0,0,2]=4 5888 B15R1.882 CC(O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100011218427 [1,1,0,0,0,0|1,0,0]=3 5889 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011218427 [1,1,0,0,0,0|1,0,0]=3 5890 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011218427 [1,1,0,0,0,0|1,0,0]=3 5891 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000210904_200011996143 [1,1,0,0,0,0|1,0,0]=3 5892 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011218427 [1,1,0,0,0,0|1,0,0]=3 5893 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000210904_200011996143 [1,1,0,0,0,0|1,0,0]=3 5894 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011218427 [1,1,0,0,0,0|1,0,0]=3 5895 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011218427 [1,1,0,0,0,0|0,0,0]=2 5896 B15R1.882 CC(O)CNC[C@H](O)c1ccc(cc1)F 2230a_100000210904_100000720402 [1,1,0,0,0,0|1,0,0]=3 5897 B15R1.882 CC(O)CNC[C@H](O)c1ccc(cc1)F 34a_100000210904_100000720402 [1,1,0,0,0,0|1,0,0]=3 5898 B15R1.882 CC(O)CSCC(O)c1ccc(cc1)Cl 62a_100011218427_200011996143 [1,1,0,0,0,0|2,0,0]=4 5899 B15R1.882 CC(O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011218427 [1,1,0,0,0,0|2,0,0]=4 5900 B15R1.882 CC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011218427 [1,1,0,0,0,0|2,0,0]=4 5901 B15R1.882 CC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100011218427_100000720402 [1,1,0,0,0,0|2,0,0]=4 5902 B15R1.882 C[C@@H](Cl)COCC(O)c1ccc(cc1)Cl 34a_100016084084_200011996143 [1,1,0,0,0,0|2,0,0]=4 5903 B15R1.882 C[C@@H](Cl)COC[C@H](O)c1ccc(cc1)F 34a_100016084084_100000720402 [1,1,0,0,0,0|2,0,0]=4 5904 B15R1.882 C[C@@H](N)COCC(O)c1ccc(cc1)Cl 34a_100000737577_200011996143 [1,1,0,0,0,0|2,0,0]=4 5905 B15R1.882 C[C@@H](N)COC[C@H](O)c1ccc(cc1)F 34a_100000737577_100000720402 [1,1,0,0,0,0|2,0,0]=4 5906 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100009817552 [1,1,0,0,0,0|1,0,0]=3 5907 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100009817552 [1,1,0,0,0,0|1,0,0]=3 5908 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009817552 [1,1,0,0,0,0|1,0,0]=3 5909 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009817552 [1,1,0,0,0,0|1,0,0]=3 5910 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009817552 [1,1,0,0,0,0|0,0,0]=2 5911 B15R1.882 C[C@@H](O)CSCC(O)c1ccc(cc1)Cl 62a_100009817552_200011996143 [1,1,0,0,0,0|2,0,0]=4 5912 B15R1.882 C[C@@H](O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100009817552 [1,1,0,0,0,0|2,0,0]=4 5913 B15R1.882 C[C@@H](O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009817552 [1,1,0,0,0,0|2,0,0]=4 5914 B15R1.882 C[C@@H](O)CSC[C@H](O)c1ccc(cc1)F 62a_100009817552_100000720402 [1,1,0,0,0,0|2,0,0]=4 5915 B15R1.882 Cc1ccc(cc1)C(C)NCCC(C)C 269862a_100000210545_100000185793 [1,1,0,0,0,0|2,0,0]=4 5916 B15R1.882 Cc1ccc(cc1)C(C)NCCC(C)O 2230a_200000755665_100011261388 [1,1,0,0,0,0|2,0,0]=4 5917 B15R1.882 Cc1ccc(cc1)C(C)NCCC(C)O 269862a_200000755665_100000185793 [1,1,0,0,0,0|2,0,0]=4 5918 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)C 2230a_200020610344_100000210760 [1,1,0,0,0,0|1,0,0]=3 5919 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)C 270004a_200020610344_100000210432 [1,1,0,0,0,0|1,0,0]=3 5920 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)C 34a_200020610344_100000210624 [1,1,0,0,0,0|1,0,0]=3 5921 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)O 2230a_200020610344_100011218427 [1,1,0,0,0,0|1,0,0]=3 5922 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)O 34a_200020610344_100011218427 [1,1,0,0,0,0|1,0,0]=3 5923 B15R1.882 Cc1ccc(cc1)C(O)CNCC(F)F 2230a_200020610344_100011934356 [1,1,0,0,0,0|2,0,0]=4 5924 B15R1.882 Cc1ccc(cc1)C(O)CNCC(F)F 34a_200020610344_100011934356 [1,1,0,0,0,0|2,0,0]=4 5925 B15R1.882 Cc1ccc(cc1)C(O)CNC[C@@H](C)O 2230a_200020610344_100009817552 [1,1,0,0,0,0|1,0,0]=3 5926 B15R1.882 Cc1ccc(cc1)C(O)CNC[C@@H](C)O 34a_200020610344_100009817552 [1,1,0,0,0,0|1,0,0]=3 5927 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 2230a_100016988085_100000210312 [1,1,0,0,0,0|2,0,0]=4 5928 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 269862a_100016988085_100000185833 [1,1,0,0,0,0|2,0,0]=4 5929 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 34a_100016988085_100000210312 [1,1,0,0,0,0|2,0,0]=4 5930 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)O 2230a_100016988085_100012276601 [1,1,0,0,0,0|2,0,0]=4 5931 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)O 34a_100016988085_100012276601 [1,1,0,0,0,0|2,0,0]=4 5932 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000187820 [1,1,0,0,0,0|1,0,1]=4 5933 B15R1.882 O=C([O-])CNCC(O)c1ccc(cc1)O 34a_100000067596_100020667443 [1,1,0,0,0,0|1,0,1]=4 5934 B15R1.882 O=[N+]([O-])CNCC(O)c1ccc(cc1)O 34a_100000067596_100000761209 [1,1,0,0,0,0|2,0,0]=4 5935 B15R1.882 OC(CNCC(F)F)c1ccc(cc1)Br 2230a_100020626992_100011934356 [1,1,0,0,0,0|2,0,0]=4 5936 B15R1.882 OC(CNCC(F)F)c1ccc(cc1)Br 34a_100020626992_100011934356 [1,1,0,0,0,0|2,0,0]=4 5937 B15R1.882 OC(CNCC(F)F)c1ccc(cc1)Cl 2230a_100000736658_100011934356 [1,1,0,0,0,0|2,0,0]=4 5938 B15R1.882 OC(CNCC(F)F)c1ccc(cc1)Cl 34a_100000736658_100011934356 [1,1,0,0,0,0|2,0,0]=4 5939 B15R1.882 OC(CNCC(F)F)c1ccc(cc1)Cl 34a_100000765723_200011996143 [1,1,0,0,0,0|2,0,0]=4 5940 B15R1.882 O[C@@H](CNCC(F)F)c1ccc(cc1)F 34a_100000765723_100000720402 [1,1,0,0,0,0|2,0,0]=4 5941 B15R1.882 Oc1ccc(cc1)C(O)CNCC(F)F 34a_100000067596_100011934356 [1,1,0,0,0,0|1,0,0]=3 5942 B15R1.1389 C#CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000038162 [1,1,0,0,0,0|0,0,2]=4 5943 B15R1.1389 C#CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000184674 [1,1,0,0,0,0|0,0,2]=4 5944 B15R1.1389 C=CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000210623 [1,1,0,0,0,0|0,0,2]=4 5945 B15R1.1389 C=CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100015514636 [1,1,0,0,0,0|0,0,2]=4 5946 B15R1.1389 C=Cc1ccc(cc1)C(C)NCCCC 2230a_200012023546_100000210211 [1,1,0,0,0,0|2,0,0]=4 5947 B15R1.1389 C=Cc1ccc(cc1)C(C)NCCCC 34a_200012023546_100000210210 [1,1,0,0,0,0|2,0,0]=4 5948 B15R1.1389 CC(NCCCF)c1ccc(cc1)CO 269862a_100015189416_100000082505 [1,1,0,0,0,0|2,0,0]=4 5949 B15R1.1389 CC(NCCCO)c1ccc(cc1)CO 269862a_100000182051_100000082505 [1,1,0,0,0,0|2,0,0]=4 5950 B15R1.1389 CCCCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210326 [1,1,0,0,0,0|0,0,2]=4 5951 B15R1.1389 CCCCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210326 [1,1,0,0,0,0|0,0,2]=4 5952 B15R1.1389 CCCCCC(=O)c1ccc(cc1)OC 34a_100000040118_200000210301 [1,1,0,0,0,0|0,0,2]=4 5953 B15R1.1389 CCCCCC(=O)c1ccc(cc1)OC 7a_100000040118_200000210301 [1,1,0,0,0,0|0,0,2]=4 5954 B15R1.1389 CCCCCC(=O)c1ccc(cc1)O[13CH3] 34a_100000040118_200025704644 [1,1,0,0,0,0|0,0,2]=4 5955 B15R1.1389 CCCCCC(=O)c1ccc(cc1)O[13CH3] 7a_100000040118_200025704644 [1,1,0,0,0,0|0,0,2]=4 5956 B15R1.1389 CCCCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210326 [1,1,0,0,0,0|2,0,0]=4 5957 B15R1.1389 CCCCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210215 [1,1,0,0,0,0|2,0,0]=4 5958 B15R1.1389 CCCCCN(C)c1ccc(cc1)OC 34a_100000220023_100000718602 [1,1,0,0,0,0|2,0,0]=4 5959 B15R1.1389 CCCCNC(=O)c1ccc(cc1)CO 1626a_100000102301_100000183892 [1,1,0,0,0,0|0,0,2]=4 5960 B15R1.1389 CCCCNC(=O)c1ccc(cc1)CO 240690a_100000102301_100000183892 [1,1,0,0,0,0|0,0,2]=4 5961 B15R1.1389 CCCCNC(=O)c1ccc(cc1)OC 11a_100000102301_100000184203 [1,1,0,0,0,0|0,0,2]=4 5962 B15R1.1389 CCCCNC(=O)c1ccc(cc1)OC 1626a_100000102301_100000184203 [1,1,0,0,0,0|0,0,2]=4 5963 B15R1.1389 CCCCNC(=O)c1ccc(cc1)OC 240690a_100000102301_100000184203 [1,1,0,0,0,0|0,0,2]=4 5964 B15R1.1389 CCCCNC(=O)c1ccc(cc1)OC 527a_100000102301_100000184203 [1,1,0,0,0,0|0,0,2]=4 5965 B15R1.1389 CCCCNC(C)c1ccc(cc1)C#N 269862a_100000102301_100000182420 [1,1,0,0,0,0|2,0,0]=4 5966 B15R1.1389 CCCCNC(C)c1ccc(cc1)CC 2230a_100015186439_100000210211 [1,1,0,0,0,0|2,0,0]=4 5967 B15R1.1389 CCCCNC(C)c1ccc(cc1)CC 269862a_100000102301_100000211630 [1,1,0,0,0,0|2,0,0]=4 5968 B15R1.1389 CCCCNC(C)c1ccc(cc1)CC 34a_100015186439_100000210210 [1,1,0,0,0,0|2,0,0]=4 5969 B15R1.1389 CCCCNC(C)c1ccc(cc1)CO 269862a_100000102301_100000082505 [1,1,0,0,0,0|1,0,0]=3 5970 B15R1.1389 CCCCNC(C)c1ccc(cc1)NC 269862a_100000102301_100011806243 [1,1,0,0,0,0|2,0,0]=4 5971 B15R1.1389 CCCCNC(C)c1ccc(cc1)OC 269862a_100000102301_100000169859 [1,1,0,0,0,0|1,0,0]=3 5972 B15R1.1389 CCCCNC(C)c1ccc(cc1)SC 2230a_100000738722_100000210211 [1,1,0,0,0,0|1,1,0]=4 5973 B15R1.1389 CCCCNC(C)c1ccc(cc1)SC 269862a_100000102301_100000185071 [1,1,0,0,0,0|1,1,0]=4 5974 B15R1.1389 CCCCNC(C)c1ccc(nc1)OC 269862a_100000102301_100011934396 [1,1,0,0,0,0|2,0,0]=4 5975 B15R1.1389 CCCCN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_100000210211 [1,1,0,0,0,0|2,0,0]=4 5976 B15R1.1389 CCCCN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_100000210210 [1,1,0,0,0,0|2,0,0]=4 5977 B15R1.1389 CCCCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210211 [1,1,0,0,0,0|1,0,0]=3 5978 B15R1.1389 CCCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210210 [1,1,0,0,0,0|2,0,0]=4 5979 B15R1.1389 CCCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210211 [1,1,0,0,0,0|2,0,0]=4 5980 B15R1.1389 CCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000210303 [1,1,0,0,0,0|0,0,0]=2 5981 B15R1.1389 CCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000210303 [1,1,0,0,0,0|0,0,0]=2 5982 B15R1.1389 CCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000210303 [1,1,0,0,0,0|2,0,0]=4 5983 B15R1.1389 CCOCCC(N)c1ccc(cc1)OC 34a_100000752340_100000210202 [1,1,0,0,0,0|2,0,0]=4 5984 B15R1.1389 COCCNC(C)c1ccc(cc1)CO 269862a_100000209980_100000082505 [1,1,0,0,0,0|2,0,0]=4 5985 B15R1.1389 COCCNC(C)c1ccc(cc1)OC 269862a_100000209980_100000169859 [1,1,0,0,0,0|2,0,0]=4 5986 B15R1.1389 COCCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100011201679 [1,1,0,0,0,0|2,0,0]=4 5987 B15R1.1389 COCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000766300 [1,1,0,0,0,0|1,0,0]=3 5988 B15R1.1389 COc1ccc(cc1)C(C)NCCCF 269862a_100015189416_100000169859 [1,1,0,0,0,0|2,0,0]=4 5989 B15R1.1389 COc1ccc(cc1)C(C)NCCCO 269862a_100000182051_100000169859 [1,1,0,0,0,0|2,0,0]=4 5990 B15R1.1389 COc1ccc(cc1)C(C)NCCSC 269862a_100020590264_100000169859 [1,1,0,0,0,0|2,0,0]=4 5991 B15R1.1389 COc1ccc(cc1)C(O)CNCC#N 2230a_100000738651_100011215382 [1,1,0,0,0,0|1,0,1]=4 5992 B15R1.1389 COc1ccc(cc1)C(O)CNCC=O 2230a_100000738651_200015260668 [1,1,0,0,0,0|1,0,1]=4 5993 B15R1.1389 COc1ccc(cc1)C(O)CNCC=O 34a_100000738651_200009817547 [1,1,0,0,0,0|1,0,1]=4 5994 B15R1.1389 COc1ccc(cc1)C(O)CNCCF 2230a_100000738651_100011217306 [1,1,0,0,0,0|1,0,0]=3 5995 B15R1.1389 COc1ccc(cc1)C(O)CNCCF 34a_100000738651_100011217306 [1,1,0,0,0,0|1,0,0]=3 5996 B15R1.1389 COc1ccc(cc1)C(O)CNCCO 2230a_100000738651_100000211926 [1,1,0,0,0,0|1,0,0]=3 5997 B15R1.1389 COc1ccc(cc1)C(O)CNCCO 34a_100000738651_100000211926 [1,1,0,0,0,0|1,0,0]=3 5998 B15R1.1389 COc1ccc(cc1)C(O)CNCSC 2230a_100000738651_100011218213 [1,1,0,0,0,0|1,0,0]=3 5999 B15R1.1389 COc1ccc(cc1)C(O)CNCSC 34a_100000738651_100011218213 [1,1,0,0,0,0|1,0,0]=3 6000 B15R1.1389 COc1ccc(cc1)[C@@H](C)NCCCF 2230a_100011830352_100011934791 [1,1,0,0,0,0|2,0,0]=4 6001 B15R1.1389 COc1ccc(cc1)[C@@H](C)NCCCO 2230a_100011830352_100000230001 [1,1,0,0,0,0|2,0,0]=4 6002 B15R1.1389 COc1ccc(cc1)[C@@H](C)NCCSC 2230a_100011830352_100000751147 [1,1,0,0,0,0|2,0,0]=4 6003 B15R1.1389 CSCCNC(C)c1ccc(cc1)CO 269862a_100020590264_100000082505 [1,1,0,0,0,0|2,0,0]=4 6004 B15R1.1404 C#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000184674 [1,1,0,0,0,0|0,0,2]=4 6005 B15R1.1404 C=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100015514636 [1,1,0,0,0,0|0,0,2]=4 6006 B15R1.1404 CC(NCCCF)c1ccc(c(c1)Br)O 269862a_100015189416_100011772453 [1,1,0,0,0,0|2,0,0]=4 6007 B15R1.1404 CC(NCCCF)c1ccc(c(c1)Cl)O 269862a_100015189416_100000188625 [1,1,0,0,0,0|2,0,0]=4 6008 B15R1.1404 CC(NCCCF)c1ccc(c(c1)F)O 269862a_100015189416_100000751691 [1,1,0,0,0,0|2,0,0]=4 6009 B15R1.1404 CC(NCCCO)c1ccc(c(c1)Br)O 269862a_100000182051_100011772453 [1,1,0,0,0,0|2,0,0]=4 6010 B15R1.1404 CC(NCCCO)c1ccc(c(c1)Cl)O 269862a_100000182051_100000188625 [1,1,0,0,0,0|2,0,0]=4 6011 B15R1.1404 CC(NCCCO)c1ccc(c(c1)F)O 269862a_100000182051_100000751691 [1,1,0,0,0,0|2,0,0]=4 6012 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210326 [1,1,0,0,0,0|0,0,2]=4 6013 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210326 [1,1,0,0,0,0|0,0,2]=4 6014 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210326 [1,1,0,0,0,0|0,0,2]=4 6015 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210326 [1,1,0,0,0,0|0,0,2]=4 6016 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210326 [1,1,0,0,0,0|0,0,2]=4 6017 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210326 [1,1,0,0,0,0|0,0,2]=4 6018 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)Br)O 240690a_100000102301_100000189672 [1,1,0,0,0,0|0,0,2]=4 6019 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)C)O 240690a_100000102301_100000685612 [1,1,0,0,0,0|0,0,2]=4 6020 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012359895 [1,1,0,0,0,0|0,0,2]=4 6021 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100000102301_100000212196 [1,1,0,0,0,0|0,0,2]=4 6022 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)Cl)O 527a_100000102301_100000212196 [1,1,0,0,0,0|0,0,2]=4 6023 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)F)O 240690a_100000102301_100000185466 [1,1,0,0,0,0|0,0,2]=4 6024 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)F)O 527a_100000102301_100000185466 [1,1,0,0,0,0|0,0,2]=4 6025 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)I)O 1626a_100000102301_100000037485 [1,1,0,0,0,0|0,0,2]=4 6026 B15R1.1404 CCCCNC(=O)c1ccc(c(c1)I)O 240690a_100000102301_100000037485 [1,1,0,0,0,0|0,0,2]=4 6027 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)Br 269862a_100000102301_100009814466 [1,1,0,0,0,0|2,0,0]=4 6028 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)C 269862a_100000102301_100011934287 [1,1,0,0,0,0|2,0,0]=4 6029 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)Cl 269862a_100000102301_100012356427 [1,1,0,0,0,0|2,0,0]=4 6030 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)F 269862a_100000102301_100000239719 [1,1,0,0,0,0|2,0,0]=4 6031 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)I 269862a_100000102301_100010146554 [1,1,0,0,0,0|2,0,0]=4 6032 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)O 269862a_100000102301_100011772453 [1,1,0,0,0,0|1,0,0]=3 6033 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)Br 269862a_100000102301_100000697869 [1,1,0,0,0,0|2,0,0]=4 6034 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)C 269862a_100000102301_100000210971 [1,1,0,0,0,0|2,0,0]=4 6035 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)Cl 269862a_100000102301_100011216000 [1,1,0,0,0,0|2,0,0]=4 6036 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)F 2230a_100000705826_100000210211 [1,1,0,0,0,0|2,0,0]=4 6037 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)F 269862a_100000102301_100000754758 [1,1,0,0,0,0|2,0,0]=4 6038 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)F 34a_100000705826_100000210210 [1,1,0,0,0,0|2,0,0]=4 6039 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)O 269862a_100000102301_100000188726 [1,1,0,0,0,0|1,0,0]=3 6040 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)Br 269862a_100000102301_100012353846 [1,1,0,0,0,0|2,0,0]=4 6041 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_100000210211 [1,1,0,0,0,0|2,0,0]=4 6042 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)C 269862a_100000102301_100012002458 [1,1,0,0,0,0|2,0,0]=4 6043 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_100000210210 [1,1,0,0,0,0|2,0,0]=4 6044 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_100000210211 [1,1,0,0,0,0|2,0,0]=4 6045 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)Cl 269862a_100000102301_100000210641 [1,1,0,0,0,0|2,0,0]=4 6046 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_100000210210 [1,1,0,0,0,0|2,0,0]=4 6047 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)F 269862a_100000102301_100000737303 [1,1,0,0,0,0|2,0,0]=4 6048 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)O 269862a_100000102301_100000188625 [1,1,0,0,0,0|1,0,0]=3 6049 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)Br 269862a_100000102301_100000690002 [1,1,0,0,0,0|2,0,0]=4 6050 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)C 269862a_100000102301_100000767010 [1,1,0,0,0,0|2,0,0]=4 6051 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)Cl 269862a_100000102301_100000693814 [1,1,0,0,0,0|2,0,0]=4 6052 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)F 2230a_100000756309_100000210211 [1,1,0,0,0,0|2,0,0]=4 6053 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)F 269862a_100000102301_100000184692 [1,1,0,0,0,0|2,0,0]=4 6054 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)F 34a_100000756309_100000210210 [1,1,0,0,0,0|2,0,0]=4 6055 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)O 269862a_100000102301_100000751691 [1,1,0,0,0,0|1,0,0]=3 6056 B15R1.1404 CCCCNC(C)c1ccc(c(c1)I)Br 269862a_100000102301_100010146556 [1,1,0,0,0,0|2,0,0]=4 6057 B15R1.1404 CCCCNC(C)c1ccc(c(c1)O)C 269862a_100000102301_100000084092 [1,1,0,0,0,0|2,0,0]=4 6058 B15R1.1404 CCCCNC(C)c1ccc(c(c1)O)F 269862a_100000102301_100000117923 [1,1,0,0,0,0|2,0,0]=4 6059 B15R1.1404 CCCCN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_100000210211 [1,1,0,0,0,0|2,0,0]=4 6060 B15R1.1404 CCCCN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_100000210210 [1,1,0,0,0,0|2,0,0]=4 6061 B15R1.1404 CCCCN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_100000210211 [1,1,0,0,0,0|2,0,0]=4 6062 B15R1.1404 CCCCN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_100000210210 [1,1,0,0,0,0|2,0,0]=4 6063 B15R1.1404 CCCCN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_100000210211 [1,1,0,0,0,0|2,0,0]=4 6064 B15R1.1404 CCCCN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_100000210210 [1,1,0,0,0,0|2,0,0]=4 6065 B15R1.1404 CCCCN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_100000210211 [1,1,0,0,0,0|2,0,0]=4 6066 B15R1.1404 CCCCN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_100000210210 [1,1,0,0,0,0|2,0,0]=4 6067 B15R1.1404 CCCCN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_100000210211 [1,1,0,0,0,0|2,0,0]=4 6068 B15R1.1404 CCCCN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_100000210210 [1,1,0,0,0,0|2,0,0]=4 6069 B15R1.1404 CCCCN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_100000210211 [1,1,0,0,0,0|2,0,0]=4 6070 B15R1.1404 CCCCN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_100000210210 [1,1,0,0,0,0|2,0,0]=4 6071 B15R1.1404 CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210303 [1,1,0,0,0,0|0,0,0]=2 6072 B15R1.1404 CCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210258_100000761251 [1,1,0,0,0,0|2,0,0]=4 6073 B15R1.1404 CCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210303_100000761251 [1,1,0,0,0,0|2,0,0]=4 6074 B15R1.1404 CCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210303 [1,1,0,0,0,0|2,0,0]=4 6075 B15R1.1404 COCCNC(C)c1ccc(c(c1)Br)O 269862a_100000209980_100011772453 [1,1,0,0,0,0|2,0,0]=4 6076 B15R1.1404 COCCNC(C)c1ccc(c(c1)C)O 269862a_100000209980_100000188726 [1,1,0,0,0,0|2,0,0]=4 6077 B15R1.1404 COCCNC(C)c1ccc(c(c1)Cl)O 269862a_100000209980_100000188625 [1,1,0,0,0,0|2,0,0]=4 6078 B15R1.1404 COCCNC(C)c1ccc(c(c1)F)O 269862a_100000209980_100000751691 [1,1,0,0,0,0|2,0,0]=4 6079 B15R1.1404 CSCCNC(C)c1ccc(c(c1)Br)O 269862a_100020590264_100011772453 [1,1,0,0,0,0|2,0,0]=4 6080 B15R1.1404 CSCCNC(C)c1ccc(c(c1)C)O 269862a_100020590264_100000188726 [1,1,0,0,0,0|2,0,0]=4 6081 B15R1.1404 CSCCNC(C)c1ccc(c(c1)Cl)O 269862a_100020590264_100000188625 [1,1,0,0,0,0|2,0,0]=4 6082 B15R1.1404 CSCCNC(C)c1ccc(c(c1)F)O 269862a_100020590264_100000751691 [1,1,0,0,0,0|2,0,0]=4 6083 B15R1.1404 CSCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218213 [1,1,0,0,0,0|1,0,0]=3 6084 B15R1.1404 Cc1cc(ccc1O)C(C)NCCCF 269862a_100015189416_100000188726 [1,1,0,0,0,0|2,0,0]=4 6085 B15R1.1404 Cc1cc(ccc1O)C(C)NCCCO 269862a_100000182051_100000188726 [1,1,0,0,0,0|2,0,0]=4 6086 B15R1.1404 O=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200009817547 [1,1,0,0,0,0|1,0,1]=4 6087 B15R1.1404 OCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100016997473_100000761251 [1,1,0,0,0,0|2,0,0]=4 6088 B15R1.1404 OCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100016990907_100000761251 [1,1,0,0,0,0|2,0,0]=4 6089 B15R1.1404 O[C@H](CNCCF)c1ccc(c(c1)F)F 34a_100000724931_100000761251 [1,1,0,0,0,0|2,0,0]=4 6090 B15R1.1404 Oc1ccc(cc1O)C(O)CNCCF 34a_100000106456_100011217306 [1,1,0,0,0,0|1,0,0]=3 6091 B15R1.3309 CCCCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210326 [1,1,0,0,0,0|0,0,2]=4 6092 B15R1.3309 CCCCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210326 [1,1,0,0,0,0|0,0,2]=4 6093 B15R1.3309 CCCCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210326 [1,1,0,0,0,0|0,0,2]=4 6094 B15R1.3309 CCCCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210326 [1,1,0,0,0,0|0,0,2]=4 6095 B15R1.3309 CCCCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210326 [1,1,0,0,0,0|0,0,2]=4 6096 B15R1.3309 CCCCCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210215 [1,1,0,0,0,0|2,0,0]=4 6097 B15R1.3309 CCCCCN(C)c1ccc(cc1C)O 34a_100161107805_100000718602 [1,1,0,0,0,0|2,0,0]=4 6098 B15R1.3309 CCCCNC(=O)c1ccc(cc1Br)O 240690a_100000102301_100012344906 [1,1,0,0,0,0|0,0,2]=4 6099 B15R1.3309 CCCCNC(=O)c1ccc(cc1Br)O 527a_100000102301_100012344906 [1,1,0,0,0,0|0,0,2]=4 6100 B15R1.3309 CCCCNC(=O)c1ccc(cc1C)O 240690a_100000102301_100000692822 [1,1,0,0,0,0|0,0,2]=4 6101 B15R1.3309 CCCCNC(=O)c1ccc(cc1C)O 527a_100000102301_100000692822 [1,1,0,0,0,0|0,0,2]=4 6102 B15R1.3309 CCCCNC(=O)c1ccc(cc1Cl)O 240690a_100000102301_100000702456 [1,1,0,0,0,0|0,0,2]=4 6103 B15R1.3309 CCCCNC(=O)c1ccc(cc1Cl)O 527a_100000102301_100000702456 [1,1,0,0,0,0|0,0,2]=4 6104 B15R1.3309 CCCCNC(=O)c1ccc(cc1F)O 240690a_100000102301_100000689029 [1,1,0,0,0,0|0,0,2]=4 6105 B15R1.3309 CCCCNC(=O)c1ccc(cc1F)O 527a_100000102301_100000689029 [1,1,0,0,0,0|0,0,2]=4 6106 B15R1.3309 CCCCNC(C)c1ccc(cc1Br)Br 269862a_100000102301_100000183147 [1,1,0,0,0,0|2,0,0]=4 6107 B15R1.3309 CCCCNC(C)c1ccc(cc1Br)C 269862a_100000102301_100012353930 [1,1,0,0,0,0|2,0,0]=4 6108 B15R1.3309 CCCCNC(C)c1ccc(cc1Br)Cl 269862a_100000102301_100011934292 [1,1,0,0,0,0|2,0,0]=4 6109 B15R1.3309 CCCCNC(C)c1ccc(cc1Br)F 269862a_100000102301_100000686192 [1,1,0,0,0,0|2,0,0]=4 6110 B15R1.3309 CCCCNC(C)c1ccc(cc1C)Br 269862a_100000102301_100012360112 [1,1,0,0,0,0|2,0,0]=4 6111 B15R1.3309 CCCCNC(C)c1ccc(cc1C)C 269862a_100000102301_100000211561 [1,1,0,0,0,0|2,0,0]=4 6112 B15R1.3309 CCCCNC(C)c1ccc(cc1C)Cl 269862a_100000102301_100011998434 [1,1,0,0,0,0|2,0,0]=4 6113 B15R1.3309 CCCCNC(C)c1ccc(cc1C)F 269862a_100000102301_100000753884 [1,1,0,0,0,0|2,0,0]=4 6114 B15R1.3309 CCCCNC(C)c1ccc(cc1Cl)Br 269862a_100000102301_100000693907 [1,1,0,0,0,0|2,0,0]=4 6115 B15R1.3309 CCCCNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_100000210211 [1,1,0,0,0,0|2,0,0]=4 6116 B15R1.3309 CCCCNC(C)c1ccc(cc1Cl)Cl 269862a_100000102301_100000210972 [1,1,0,0,0,0|2,0,0]=4 6117 B15R1.3309 CCCCNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_100000210210 [1,1,0,0,0,0|2,0,0]=4 6118 B15R1.3309 CCCCNC(C)c1ccc(cc1Cl)F 269862a_100000102301_100000214953 [1,1,0,0,0,0|2,0,0]=4 6119 B15R1.3309 CCCCNC(C)c1ccc(cc1F)Br 2230a_100000730447_100000210211 [1,1,0,0,0,0|2,0,0]=4 6120 B15R1.3309 CCCCNC(C)c1ccc(cc1F)Br 269862a_100000102301_100000690205 [1,1,0,0,0,0|2,0,0]=4 6121 B15R1.3309 CCCCNC(C)c1ccc(cc1F)Br 34a_100000730447_100000210210 [1,1,0,0,0,0|2,0,0]=4 6122 B15R1.3309 CCCCNC(C)c1ccc(cc1F)C 269862a_100000102301_100011216410 [1,1,0,0,0,0|2,0,0]=4 6123 B15R1.3309 CCCCNC(C)c1ccc(cc1F)Cl 269862a_100000102301_100011805184 [1,1,0,0,0,0|2,0,0]=4 6124 B15R1.3309 CCCCNC(C)c1ccc(cc1F)F 2230a_100000181410_100000210211 [1,1,0,0,0,0|2,0,0]=4 6125 B15R1.3309 CCCCNC(C)c1ccc(cc1F)F 269862a_100000102301_100000185200 [1,1,0,0,0,0|2,0,0]=4 6126 B15R1.3309 CCCCNC(C)c1ccc(cc1F)F 34a_100000181410_100000210210 [1,1,0,0,0,0|2,0,0]=4 6127 B15R1.3309 CCCCNC(C)c1ccc(cc1O)Br 269862a_100000102301_100000188348 [1,1,0,0,0,0|2,0,0]=4 6128 B15R1.3309 CCCCNC(C)c1ccc(cc1O)C 269862a_100000102301_100000234885 [1,1,0,0,0,0|2,0,0]=4 6129 B15R1.3309 CCCCNC(C)c1ccc(cc1O)Cl 269862a_100000102301_100000061402 [1,1,0,0,0,0|2,0,0]=4 6130 B15R1.3309 CCCCNC(C)c1ccc(cc1O)F 269862a_100000102301_100011215782 [1,1,0,0,0,0|2,0,0]=4 6131 B15R1.3309 CCCCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000210211 [1,1,0,0,0,0|2,0,0]=4 6132 B15R1.3309 CCCCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000210210 [1,1,0,0,0,0|2,0,0]=4 6133 B15R1.3309 CCCCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000210211 [1,1,0,0,0,0|2,0,0]=4 6134 B15R1.3309 CCCCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100000210210 [1,1,0,0,0,0|2,0,0]=4 6135 B15R1.3309 CCCCN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_100000210211 [1,1,0,0,0,0|2,0,0]=4 6136 B15R1.3309 CCCCN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_100000210210 [1,1,0,0,0,0|2,0,0]=4 6137 B15R1.3309 CCCCN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_100000210211 [1,1,0,0,0,0|2,0,0]=4 6138 B15R1.3309 CCCCN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_100000210210 [1,1,0,0,0,0|2,0,0]=4 6139 B15R1.3309 CCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000210258_100000761269 [1,1,0,0,0,0|2,0,0]=4 6140 B15R1.3309 CCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000210258_100000761231 [1,1,0,0,0,0|2,0,0]=4 6141 B15R1.3309 CCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210303_100000761269 [1,1,0,0,0,0|2,0,0]=4 6142 B15R1.3309 CCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210303 [1,1,0,0,0,0|2,0,0]=4 6143 B15R1.3309 CCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210303_100000761231 [1,1,0,0,0,0|2,0,0]=4 6144 B15R1.3309 CCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210303 [1,1,0,0,0,0|2,0,0]=4 6145 B15R1.3309 OCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100016997473_100000761269 [1,1,0,0,0,0|2,0,0]=4 6146 B15R1.3309 OCCNC[C@@H](O)c1ccc(cc1F)F 34a_100016990907_100000761269 [1,1,0,0,0,0|2,0,0]=4 6147 B15R1.3309 OCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100016997473_100000761231 [1,1,0,0,0,0|2,0,0]=4 6148 B15R1.3309 OCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100016990907_100000761231 [1,1,0,0,0,0|2,0,0]=4 6149 B15R1.3309 O[C@@H](CNCCF)c1ccc(cc1Cl)Cl 34a_100000724931_100000761231 [1,1,0,0,0,0|2,0,0]=4 6150 B15R1.3309 O[C@H](CNCCF)c1ccc(cc1F)F 34a_100000724931_100000761269 [1,1,0,0,0,0|2,0,0]=4 6151 B15R1.31 C#CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000688953 [1,1,0,0,0,0|0,0,2]=4 6152 B15R1.31 C#CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000688953 [1,1,0,0,0,0|0,0,2]=4 6153 B15R1.31 C/C=C/CNCC(O)c1cccc(c1)O 34a_100020657549_100102629194 [1,1,0,0,0,0|0,0,2]=4 6154 B15R1.31 C=CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000754431 [1,1,0,0,0,0|0,0,2]=4 6155 B15R1.31 C=CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000754431 [1,1,0,0,0,0|0,0,2]=4 6156 B15R1.31 CC#CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000748600 [1,1,0,0,0,0|0,0,2]=4 6157 B15R1.31 CC#CCNCC(O)c1cccc(c1)O 34a_100020657549_100000748600 [1,1,0,0,0,0|0,0,2]=4 6158 B15R1.31 CC=CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000070051 [1,1,0,0,0,0|0,0,2]=4 6159 B15R1.31 CC=CCNCC(O)c1cccc(c1)O 34a_100020657549_100000070051 [1,1,0,0,0,0|0,0,2]=4 6160 B15R1.31 CCCCNCC(=O)c1cccc(c1)Br 2230a_100000102301_100000212080 [1,1,0,0,0,0|0,0,2]=4 6161 B15R1.31 CCCCNCC(=O)c1cccc(c1)Br 7a_106832991798_100000212080 [1,1,0,0,0,0|0,0,2]=4 6162 B15R1.31 CCCCNCC(=O)c1cccc(c1)C 2230a_100000102301_100000739480 [1,1,0,0,0,0|0,0,2]=4 6163 B15R1.31 CCCCNCC(=O)c1cccc(c1)C 7a_106832991798_100000739480 [1,1,0,0,0,0|0,0,2]=4 6164 B15R1.31 CCCCNCC(=O)c1cccc(c1)Cl 2230a_100000102301_100000211444 [1,1,0,0,0,0|0,0,2]=4 6165 B15R1.31 CCCCNCC(=O)c1cccc(c1)Cl 7a_106832991798_100000211444 [1,1,0,0,0,0|0,0,2]=4 6166 B15R1.31 CCCCNCC(=O)c1cccc(c1)F 2230a_100000102301_100000215616 [1,1,0,0,0,0|0,0,2]=4 6167 B15R1.31 CCCCNCC(=O)c1cccc(c1)O 7a_106832991798_100009813753 [1,1,0,0,0,0|0,0,2]=4 6168 B15R1.31 CCCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210211 [1,1,0,0,0,0|0,0,0]=2 6169 B15R1.31 CCCCNCC(O)c1cccc(c1)O 34a_100020657549_100000210210 [1,1,0,0,0,0|0,0,0]=2 6170 B15R1.31 CCCCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210210 [1,1,0,0,0,0|2,0,0]=4 6171 B15R1.31 CCCCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210210 [1,1,0,0,0,0|2,0,0]=4 6172 B15R1.31 CCCCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210210 [1,1,0,0,0,0|2,0,0]=4 6173 B15R1.31 CCCCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210210 [1,1,0,0,0,0|2,0,0]=4 6174 B15R1.31 COCCNCC(O)c1cccc(c1)O 2230a_100020657549_100011201679 [1,1,0,0,0,0|1,0,0]=3 6175 B15R1.31 COCCNCC(O)c1cccc(c1)O 34a_100020657549_100011201679 [1,1,0,0,0,0|1,0,0]=3 6176 B15R1.31 CSCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000751147 [1,1,0,0,0,0|1,0,0]=3 6177 B15R1.31 CSCCNCC(O)c1cccc(c1)O 34a_100020657549_100000212216 [1,1,0,0,0,0|1,0,0]=3 6178 B15R1.31 N#CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100011215226 [1,1,0,0,0,0|1,0,1]=4 6179 B15R1.31 OCCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000230001 [1,1,0,0,0,0|1,0,0]=3 6180 B15R1.31 OCCCNCC(O)c1cccc(c1)O 34a_100020657549_100000230001 [1,1,0,0,0,0|1,0,0]=3 6181 B15R1.31 Oc1cccc(c1)C(O)CNCCCF 2230a_100020657549_100011934791 [1,1,0,0,0,0|1,0,0]=3 6182 B15R1.31 Oc1cccc(c1)C(O)CNCCCF 34a_100020657549_100011934791 [1,1,0,0,0,0|1,0,0]=3 6183 B15R1.33 CCC(CNCCCF)c1ccccc1 270004a_100015189416_100000753018 [1,1,0,0,0,0|2,0,0]=4 6184 B15R1.33 CCC(CNCCCO)c1ccccc1 270004a_100000182051_100000753018 [1,1,0,0,0,0|2,0,0]=4 6185 B15R1.33 CCC(CNCCOC)c1ccccc1 270004a_100000209980_100000753018 [1,1,0,0,0,0|2,0,0]=4 6186 B15R1.33 CCC(CNCCSC)c1ccccc1 270004a_100020590264_100000753018 [1,1,0,0,0,0|2,0,0]=4 6187 B15R1.33 CCCCCCC(NC)c1ccccc1 269862a_106832991636_100011192799 [1,1,0,0,0,0|2,0,0]=4 6188 B15R1.33 CCCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210326 [1,1,0,0,0,0|2,0,0]=4 6189 B15R1.33 CCCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000718602 [1,1,0,0,0,0|2,0,0]=4 6190 B15R1.33 CCCCNCC(CC)c1ccccc1 270004a_100000102301_100000753018 [1,1,0,0,0,0|1,0,0]=3 6191 B15R1.33 CCCCNN=C(CO)c1ccccc1 4a_100025702795_100000748912 [1,1,0,0,0,0|1,0,1]=4 6192 B15R1.33 CCCCOCC(CC)c1ccccc1 34a_100000752371_100000210210 [1,1,0,0,0,0|2,0,0]=4 6193 B15R1.33 CCCCOCC(CC)c1ccccc1 7a_100000752371_100000210211 [1,1,0,0,0,0|2,0,0]=4 6194 B15R1.33 CCCCOCC(OC)c1ccccc1 34a_100011215540_100000210210 [1,1,0,0,0,0|1,0,0]=3 6195 B15R1.33 CCCCOCC(OC)c1ccccc1 7a_100011215540_100000210211 [1,1,0,0,0,0|1,0,0]=3 6196 B15R1.33 COC(COCCCF)c1ccccc1 34a_100011215540_100011934791 [1,1,0,0,0,0|2,0,0]=4 6197 B15R1.33 COC(COCCCF)c1ccccc1 7a_100011215540_100011934791 [1,1,0,0,0,0|2,0,0]=4 6198 B15R1.33 COC(COCCCO)c1ccccc1 34a_100011215540_100000230001 [1,1,0,0,0,0|2,0,0]=4 6199 B15R1.33 COC(COCCCO)c1ccccc1 7a_100011215540_100011215043 [1,1,0,0,0,0|2,0,0]=4 6200 B15R1.33 COC(COCCSC)c1ccccc1 34a_100011215540_100000212216 [1,1,0,0,0,0|2,0,0]=4 6201 B15R1.33 COC(COCCSC)c1ccccc1 7a_100011215540_100000212216 [1,1,0,0,0,0|2,0,0]=4 6202 B15R1.33 COCCOCC(OC)c1ccccc1 34a_100011215540_100011201679 [1,1,0,0,0,0|2,0,0]=4 6203 B15R1.33 COCCOCC(OC)c1ccccc1 7a_100011215540_100000233755 [1,1,0,0,0,0|2,0,0]=4 6204 B15R1.89 CC(CC#N)NCC(O)c1ccccc1 2230a_100000210709_100009813641 [1,1,0,0,0,0|1,0,1]=4 6205 B15R1.89 CC(CCBr)OCC(O)c1ccccc1 34a_100012276601_100000185958 [1,1,0,0,0,0|2,0,0]=4 6206 B15R1.89 CC(CCBr)OC[C@@H](O)c1ccccc1 34a_100012276601_100011933945 [1,1,0,0,0,0|2,0,0]=4 6207 B15R1.89 CC(CCO)NCC(C)c1ccccc1 2230a_100000701038_100009893172 [1,1,0,0,0,0|2,0,0]=4 6208 B15R1.89 CC(CCO)NCC(C)c1ccccc1 34a_100000701038_100009893172 [1,1,0,0,0,0|2,0,0]=4 6209 B15R1.89 CC(CCO)NCC(O)c1ccccc1 2230a_100000210709_100009893172 [1,1,0,0,0,0|1,0,0]=3 6210 B15R1.89 CC(CCO)NCC(O)c1ccccn1 2230a_100000691469_100009893172 [1,1,0,0,0,0|2,0,0]=4 6211 B15R1.89 CC(CCO)NCC(O)c1cccnc1 2230a_100020605170_100009893172 [1,1,0,0,0,0|2,0,0]=4 6212 B15R1.89 CC(CCO)SCC(O)c1ccccc1 62a_100000185958_100009893172 [1,1,0,0,0,0|2,0,0]=4 6213 B15R1.89 CC(CCO)SCC(O)c1ccccc1 62a_100009893172_100000185958 [1,1,0,0,0,0|2,0,0]=4 6214 B15R1.89 CC(CCO)SC[C@@H](O)c1ccccc1 62a_100009893172_100011933945 [1,1,0,0,0,0|2,0,0]=4 6215 B15R1.89 CC(CCO)SC[C@@H](O)c1ccccc1 62a_100011933945_100009893172 [1,1,0,0,0,0|2,0,0]=4 6216 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000756946 [1,1,0,0,0,0|2,0,0]=4 6217 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 270004a_100000706166_100000212034 [1,1,0,0,0,0|2,0,0]=4 6218 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 34a_100000706166_100000756946 [1,1,0,0,0,0|2,0,0]=4 6219 B15R1.89 CCCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211992_100000729684 [1,1,0,0,0,0|1,0,1]=4 6220 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000211992 [1,1,0,0,0,0|1,0,1]=4 6221 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000211992 [1,1,0,0,0,0|1,0,1]=4 6222 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000211992 [1,1,0,0,0,0|1,0,1]=4 6223 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000211992 [1,1,0,0,0,0|1,0,1]=4 6224 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000211992 [1,1,0,0,0,0|0,0,1]=3 6225 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000211992 [1,1,0,0,0,0|0,0,1]=3 6226 B15R1.89 CCCC(=O)NCC(O)c1ccccn1 240690a_100000691469_100000211992 [1,1,0,0,0,0|1,0,1]=4 6227 B15R1.89 CCCC(=O)NCC(O)c1ccccn1 527a_100000691469_100000211992 [1,1,0,0,0,0|1,0,1]=4 6228 B15R1.89 CCCC(=O)NCC(O)c1cccnc1 240690a_100020605170_100000211992 [1,1,0,0,0,0|1,0,1]=4 6229 B15R1.89 CCCC(=O)NCC(O)c1cccnc1 527a_100020605170_100000211992 [1,1,0,0,0,0|1,0,1]=4 6230 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000766640 [1,1,0,0,0,0|1,0,0]=3 6231 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000741246_100000756946 [1,1,0,0,0,0|1,0,0]=3 6232 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000211909 [1,1,0,0,0,0|1,0,0]=3 6233 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000741246_100000212034 [1,1,0,0,0,0|1,0,0]=3 6234 B15R1.89 CCCC(C)NCC(C)c1ccccc1 34a_100000701038_100000766640 [1,1,0,0,0,0|1,0,0]=3 6235 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000766640 [1,1,0,0,0,0|0,0,0]=2 6236 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000741246_100000185958 [1,1,0,0,0,0|0,0,0]=2 6237 B15R1.89 CCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000211909 [1,1,0,0,0,0|0,0,0]=2 6238 B15R1.89 CCCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000766640 [1,1,0,0,0,0|1,0,0]=3 6239 B15R1.89 CCCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000211909 [1,1,0,0,0,0|1,0,0]=3 6240 B15R1.89 CCCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000766640 [1,1,0,0,0,0|1,0,0]=3 6241 B15R1.89 CCCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000211909 [1,1,0,0,0,0|1,0,0]=3 6242 B15R1.89 CCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000741246_100011933945 [1,1,0,0,0,0|0,0,0]=2 6243 B15R1.89 CCCC(C)OCC(C)c1ccccc1 34a_100000764384_100000756946 [1,1,0,0,0,0|2,0,0]=4 6244 B15R1.89 CCCC(C)OCC(C)c1ccccc1 34a_100011215166_100000766640 [1,1,0,0,0,0|2,0,0]=4 6245 B15R1.89 CCCC(C)OCC(C)c1ccccc1 7a_100000764384_100000756946 [1,1,0,0,0,0|2,0,0]=4 6246 B15R1.89 CCCC(C)OCC(C)c1ccccc1 7a_100011215166_100000766640 [1,1,0,0,0,0|2,0,0]=4 6247 B15R1.89 CCCC(C)OCC(O)c1ccccc1 34a_100000764384_100000185958 [1,1,0,0,0,0|1,0,0]=3 6248 B15R1.89 CCCC(C)OCC(O)c1ccccc1 7a_100000764384_100000185958 [1,1,0,0,0,0|1,0,0]=3 6249 B15R1.89 CCCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000766640 [1,1,0,0,0,0|2,0,0]=4 6250 B15R1.89 CCCC(C)OC[C@@H](O)c1ccccc1 34a_100000764384_100011933945 [1,1,0,0,0,0|1,0,0]=3 6251 B15R1.89 CCCC(C)OC[C@@H](O)c1ccccc1 7a_100000764384_100011933945 [1,1,0,0,0,0|1,0,0]=3 6252 B15R1.89 CCCC(C)SCC(C)c1ccccc1 62a_100000756946_100000766640 [1,1,0,0,0,0|2,0,0]=4 6253 B15R1.89 CCCC(C)SCC(C)c1ccccc1 62a_100000766640_100000756946 [1,1,0,0,0,0|2,0,0]=4 6254 B15R1.89 CCCC(C)SCC(O)c1ccccc1 62a_100000185958_100000766640 [1,1,0,0,0,0|1,0,0]=3 6255 B15R1.89 CCCC(C)SCC(O)c1ccccc1 62a_100000766640_100000185958 [1,1,0,0,0,0|1,0,0]=3 6256 B15R1.89 CCCC(C)SC[C@@H](O)c1ccccc1 62a_100000766640_100011933945 [1,1,0,0,0,0|1,0,0]=3 6257 B15R1.89 CCCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000766640 [1,1,0,0,0,0|1,0,0]=3 6258 B15R1.89 CCCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210303 [1,1,0,0,0,0|2,0,0]=4 6259 B15R1.89 CCCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000210303 [1,1,0,0,0,0|2,0,0]=4 6260 B15R1.89 CCCN(C)CC[C@@H](O)c1ccccc1 2230a_100000747261_100000729684 [1,1,0,0,0,0|2,0,0]=4 6261 B15R1.89 CCCN(C)CC[C@@H](O)c1ccccc1 269982a_100000747261_100000729684 [1,1,0,0,0,0|2,0,0]=4 6262 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 2708a_100015525214_100000210709 [1,1,0,0,0,0|1,0,1]=4 6263 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100015525214 [1,1,0,0,0,0|1,0,1]=4 6264 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 273464a_100015525214_100000210709 [1,1,0,0,0,0|1,0,1]=4 6265 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 512a_100015525214_100000210709 [1,1,0,0,0,0|1,0,1]=4 6266 B15R1.89 COCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210968 [1,1,0,0,0,0|1,0,1]=4 6267 B15R1.89 COCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210968 [1,1,0,0,0,0|1,0,1]=4 6268 B15R1.89 COCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000765312 [1,1,0,0,0,0|2,0,0]=4 6269 B15R1.89 COCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000749346 [1,1,0,0,0,0|2,0,0]=4 6270 B15R1.89 COCC(C)NCC(C)c1ccccc1 34a_100000701038_100000765312 [1,1,0,0,0,0|2,0,0]=4 6271 B15R1.89 COCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000765312 [1,1,0,0,0,0|1,0,0]=3 6272 B15R1.89 COCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000749346 [1,1,0,0,0,0|1,0,0]=3 6273 B15R1.89 COCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000765312 [1,1,0,0,0,0|2,0,0]=4 6274 B15R1.89 COCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000749346 [1,1,0,0,0,0|2,0,0]=4 6275 B15R1.89 COCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000765312 [1,1,0,0,0,0|2,0,0]=4 6276 B15R1.89 COCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000749346 [1,1,0,0,0,0|2,0,0]=4 6277 B15R1.89 COCC(C)SCC(O)c1ccccc1 62a_100000185958_100000765312 [1,1,0,0,0,0|2,0,0]=4 6278 B15R1.89 COCC(C)SCC(O)c1ccccc1 62a_100000765312_100000185958 [1,1,0,0,0,0|2,0,0]=4 6279 B15R1.89 COCC(C)SC[C@@H](O)c1ccccc1 62a_100000765312_100011933945 [1,1,0,0,0,0|2,0,0]=4 6280 B15R1.89 COCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000765312 [1,1,0,0,0,0|2,0,0]=4 6281 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 2230a_100000764878_100000756946 [1,1,0,0,0,0|2,0,0]=4 6282 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 270004a_100000764878_100000212034 [1,1,0,0,0,0|2,0,0]=4 6283 B15R1.89 COC[C@@H](C)NCC(O)c1ccccc1 2230a_100000764878_100000185958 [1,1,0,0,0,0|1,0,0]=3 6284 B15R1.89 COC[C@@H](C)NC[C@@H](O)c1ccccc1 2230a_100000764878_100011933945 [1,1,0,0,0,0|1,0,0]=3 6285 B15R1.89 COC[C@@H](C)OCC(O)c1ccccc1 34a_100011934205_100000185958 [1,1,0,0,0,0|2,0,0]=4 6286 B15R1.89 COC[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100011934205_100011933945 [1,1,0,0,0,0|2,0,0]=4 6287 B15R1.89 CSCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000184570 [1,1,0,0,0,0|1,0,1]=4 6288 B15R1.89 CSCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000184570 [1,1,0,0,0,0|1,0,1]=4 6289 B15R1.89 CSCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011216314 [1,1,0,0,0,0|2,0,0]=4 6290 B15R1.89 CSCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011216314 [1,1,0,0,0,0|1,0,0]=3 6291 B15R1.89 CSCC(C)NCC(O)c1ccccn1 270004a_100000691469_100011216314 [1,1,0,0,0,0|2,0,0]=4 6292 B15R1.89 CSCC(C)NCC(O)c1cccnc1 270004a_100020605170_100011216314 [1,1,0,0,0,0|2,0,0]=4 6293 B15R1.89 C[C@@H](CC#N)NCC(O)c1ccccc1 2230a_100016994482_100000185958 [1,1,0,0,0,0|1,0,1]=4 6294 B15R1.89 C[C@@H](CC#N)NC[C@@H](O)c1ccccc1 2230a_100016994482_100011933945 [1,1,0,0,0,0|1,0,1]=4 6295 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 2230a_100000706166_100000185958 [1,1,0,0,0,0|1,0,0]=3 6296 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 34a_100000706166_100000185958 [1,1,0,0,0,0|1,0,0]=3 6297 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 2230a_100000706166_100011933945 [1,1,0,0,0,0|1,0,0]=3 6298 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [1,1,0,0,0,0|1,0,0]=3 6299 B15R1.89 O=C(CCO)NCC(O)c1ccccc1 240690a_100000210709_100011216618 [1,1,0,0,0,0|1,0,1]=4 6300 B15R1.93 CCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210326 [1,1,0,0,0,0|1,0,1]=4 6301 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 11a_100000102301_100000698975 [1,1,0,0,0,0|1,0,1]=4 6302 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 1626a_100000102301_100000698975 [1,1,0,0,0,0|1,0,1]=4 6303 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 240690a_100000102301_100000698975 [1,1,0,0,0,0|1,0,1]=4 6304 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 527a_100000102301_100000698975 [1,1,0,0,0,0|1,0,1]=4 6305 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 11a_100000102301_100000751047 [1,1,0,0,0,0|1,0,1]=4 6306 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 1626a_100000102301_100000751047 [1,1,0,0,0,0|1,0,1]=4 6307 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 240690a_100000102301_100000751047 [1,1,0,0,0,0|1,0,1]=4 6308 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 527a_100000102301_100000751047 [1,1,0,0,0,0|1,0,1]=4 6309 B15R1.93 CCCCNC(=O)[C@H](O)c1ccccc1 240690a_100000102301_100000684486 [1,1,0,0,0,0|0,0,1]=3 6310 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 2230a_100000102301_100000239700 [1,1,0,0,0,0|0,0,2]=4 6311 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 7a_106832991798_100000239700 [1,1,0,0,0,0|0,0,2]=4 6312 B15R1.93 CCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210210 [1,1,0,0,0,0|2,0,0]=4 6313 B15R1.93 CCCNNC(=O)[C@H](O)c1ccccc1 22a_100000740057_100000684486 [1,1,0,0,0,0|1,0,1]=4 6314 B15R1.93 COCCNC(=O)[C@H](O)c1ccccc1 240690a_100000209980_100000684486 [1,1,0,0,0,0|1,0,1]=4 6315 B15R1.93 CSCCNC(=O)[C@H](O)c1ccccc1 240690a_100020590264_100000684486 [1,1,0,0,0,0|1,0,1]=4 6316 B15R1.93 O=C(NCCCF)[C@H](O)c1ccccc1 240690a_100015189416_100000684486 [1,1,0,0,0,0|1,0,1]=4 6317 B15R1.93 O=C(NCCCO)[C@H](O)c1ccccc1 240690a_100000182051_100000684486 [1,1,0,0,0,0|1,0,1]=4 6318 B15R1.115 C#CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000688953 [1,1,0,0,0,0|0,0,2]=4 6319 B15R1.115 C#CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000730999 [1,1,0,0,0,0|0,0,2]=4 6320 B15R1.115 C/C=C/CN(C)CC(O)c1ccccc1 269982a_100000227976_100102629194 [1,1,0,0,0,0|0,0,2]=4 6321 B15R1.115 C=CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000754431 [1,1,0,0,0,0|0,0,2]=4 6322 B15R1.115 C=CCCN(C)CC(O)c1ccccc1 2230a_100020639649_100000185958 [1,1,0,0,0,0|0,0,2]=4 6323 B15R1.115 C=CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000754431 [1,1,0,0,0,0|0,0,2]=4 6324 B15R1.115 C=CCCN(C)C[C@@H](O)c1ccccc1 2230a_100020639649_100011933945 [1,1,0,0,0,0|0,0,2]=4 6325 B15R1.115 CC#CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000748600 [1,1,0,0,0,0|0,0,2]=4 6326 B15R1.115 CC(CN(C)CCCO)c1ccccc1 2230a_100000213112_100000756946 [1,1,0,0,0,0|2,0,0]=4 6327 B15R1.115 CC(CN(C)CCCO)c1ccccc1 269982a_100000213112_100000756946 [1,1,0,0,0,0|2,0,0]=4 6328 B15R1.115 CC(CN(C)CCCO)c1ccccc1 270004a_100000213112_100000212034 [1,1,0,0,0,0|2,0,0]=4 6329 B15R1.115 CC=CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000070051 [1,1,0,0,0,0|0,0,2]=4 6330 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210211 [1,1,0,0,0,0|2,0,0]=4 6331 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000210183_100000756946 [1,1,0,0,0,0|2,0,0]=4 6332 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000210183_100000185958 [1,1,0,0,0,0|1,0,0]=3 6333 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210211 [1,1,0,0,0,0|1,0,0]=3 6334 B15R1.115 CCCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210183_100011933945 [1,1,0,0,0,0|1,0,0]=3 6335 B15R1.115 CCCCN(C)CC(=O)c1ccccc1 269982a_100000207549_100000211460 [1,1,0,0,0,0|0,0,2]=4 6336 B15R1.115 CCCCN(C)CC(C)c1ccccc1 2230a_100000207549_100000756946 [1,1,0,0,0,0|1,0,0]=3 6337 B15R1.115 CCCCN(C)CC(C)c1ccccc1 269982a_100000207549_100000756946 [1,1,0,0,0,0|1,0,0]=3 6338 B15R1.115 CCCCN(C)CC(C)c1ccccc1 270004a_100000207549_100000212034 [1,1,0,0,0,0|1,0,0]=3 6339 B15R1.115 CCCCN(C)CC(O)c1ccccc1 2230a_100000207549_100000185958 [1,1,0,0,0,0|0,0,0]=2 6340 B15R1.115 CCCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210211 [1,1,0,0,0,0|0,0,0]=2 6341 B15R1.115 CCCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210211 [1,1,0,0,0,0|0,0,0]=2 6342 B15R1.115 CCCCN(C)CS(=O)c1ccccc1 269982a_100000207549_100000031784 [1,1,0,0,0,0|1,0,1]=4 6343 B15R1.115 CCCCN(C)C[C@@H](O)c1ccccc1 2230a_100000207549_100011933945 [1,1,0,0,0,0|0,0,0]=2 6344 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 240690a_100020643023_100000690199 [1,1,0,0,0,0|2,0,0]=4 6345 B15R1.115 CCOCC(=O)CC(O)c1ccccc1 1458a_100000211967_100000185958 [1,1,0,0,0,0|2,0,0]=4 6346 B15R1.115 CCOCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211967_100011933945 [1,1,0,0,0,0|2,0,0]=4 6347 B15R1.115 CCOCN(C)CC(O)c1ccccc1 269982a_100000227976_100000739092 [1,1,0,0,0,0|1,0,0]=3 6348 B15R1.115 CCSCC(=O)CC(O)c1ccccc1 1458a_100000230394_100000185958 [1,1,0,0,0,0|2,0,0]=4 6349 B15R1.115 CCSCC(=O)C[C@@H](O)c1ccccc1 1458a_100000230394_100011933945 [1,1,0,0,0,0|2,0,0]=4 6350 B15R1.115 CN(CCC#N)CC(O)c1ccccc1 2230a_100000184479_100000185958 [1,1,0,0,0,0|1,0,1]=4 6351 B15R1.115 CN(CCC#N)CC(O)c1ccccc1 2230a_100000227976_100011215226 [1,1,0,0,0,0|1,0,1]=4 6352 B15R1.115 CN(CCC#N)CC(O)c1ccccc1 269982a_100000227976_100011215226 [1,1,0,0,0,0|1,0,1]=4 6353 B15R1.115 CN(CCC#N)C[C@@H](O)c1ccccc1 2230a_100000184479_100011933945 [1,1,0,0,0,0|1,0,1]=4 6354 B15R1.115 CN(CCCF)CC(O)c1ccccc1 2230a_100000227976_100011934791 [1,1,0,0,0,0|1,0,0]=3 6355 B15R1.115 CN(CCCF)CC(O)c1ccccc1 269982a_100000227976_100011934791 [1,1,0,0,0,0|1,0,0]=3 6356 B15R1.115 CN(CCCO)CC(O)c1ccccc1 2230a_100000213112_100000185958 [1,1,0,0,0,0|1,0,0]=3 6357 B15R1.115 CN(CCCO)CC(O)c1ccccc1 2230a_100000227976_100000230001 [1,1,0,0,0,0|1,0,0]=3 6358 B15R1.115 CN(CCCO)CC(O)c1ccccc1 269982a_100000227976_100011215043 [1,1,0,0,0,0|1,0,0]=3 6359 B15R1.115 CN(CCCO)C[C@@H](O)c1ccccc1 2230a_100000213112_100011933945 [1,1,0,0,0,0|1,0,0]=3 6360 B15R1.115 COCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000233755 [1,1,0,0,0,0|2,0,0]=4 6361 B15R1.115 COCCC(=O)CC(O)c1ccccc1 1458a_100000749529_100000185958 [1,1,0,0,0,0|2,0,0]=4 6362 B15R1.115 COCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000749529_100011933945 [1,1,0,0,0,0|2,0,0]=4 6363 B15R1.115 COCCN(C)CC(C)c1ccccc1 2230a_100000743101_100000756946 [1,1,0,0,0,0|2,0,0]=4 6364 B15R1.115 COCCN(C)CC(C)c1ccccc1 269982a_100000743101_100000756946 [1,1,0,0,0,0|2,0,0]=4 6365 B15R1.115 COCCN(C)CC(C)c1ccccc1 270004a_100000743101_100000212034 [1,1,0,0,0,0|2,0,0]=4 6366 B15R1.115 COCCN(C)CC(O)c1ccccc1 2230a_100000227976_100011201679 [1,1,0,0,0,0|1,0,0]=3 6367 B15R1.115 COCCN(C)CC(O)c1ccccc1 2230a_100000743101_100000185958 [1,1,0,0,0,0|1,0,0]=3 6368 B15R1.115 COCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000233755 [1,1,0,0,0,0|1,0,0]=3 6369 B15R1.115 COCCN(C)C[C@@H](O)c1ccccc1 2230a_100000743101_100011933945 [1,1,0,0,0,0|1,0,0]=3 6370 B15R1.115 CSCCC(=O)CC(O)c1ccccc1 1458a_100000174002_100000185958 [1,1,0,0,0,0|2,0,0]=4 6371 B15R1.115 CSCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000751147 [1,1,0,0,0,0|2,0,0]=4 6372 B15R1.115 CSCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000174002_100011933945 [1,1,0,0,0,0|2,0,0]=4 6373 B15R1.115 CSCCN(C)CC(C)c1ccccc1 2230a_100000686725_100000756946 [1,1,0,0,0,0|2,0,0]=4 6374 B15R1.115 CSCCN(C)CC(C)c1ccccc1 269982a_100000686725_100000756946 [1,1,0,0,0,0|2,0,0]=4 6375 B15R1.115 CSCCN(C)CC(C)c1ccccc1 270004a_100000686725_100000212034 [1,1,0,0,0,0|2,0,0]=4 6376 B15R1.115 CSCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000751147 [1,1,0,0,0,0|1,0,0]=3 6377 B15R1.115 CSCCN(C)CC(O)c1ccccc1 2230a_100000686725_100000185958 [1,1,0,0,0,0|1,0,0]=3 6378 B15R1.115 CSCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000212216 [1,1,0,0,0,0|1,0,0]=3 6379 B15R1.115 CSCCN(C)C[C@@H](O)c1ccccc1 2230a_100000686725_100011933945 [1,1,0,0,0,0|1,0,0]=3 6380 B15R1.115 O=C(CCCF)CC(O)c1ccccc1 1458a_100000690199_100011934791 [1,1,0,0,0,0|2,0,0]=4 6381 B15R1.115 O=C(CCCO)CC(O)c1ccccc1 1458a_100000690199_100011215043 [1,1,0,0,0,0|2,0,0]=4 6382 B15R1.138 C#CCCCNCC(C)c1ccccc1 2230a_100000701038_100000731252 [1,1,0,0,0,0|1,0,1]=4 6383 B15R1.138 C#CCCCNCC(C)c1ccccc1 270004a_100000718082_100000212034 [1,1,0,0,0,0|1,0,1]=4 6384 B15R1.138 C#CCCCNCC(C)c1ccccc1 34a_100000701038_100000695029 [1,1,0,0,0,0|1,0,1]=4 6385 B15R1.138 C#CCCCNCC(C)c1ccccc1 34a_100000718082_100000756946 [1,1,0,0,0,0|1,0,1]=4 6386 B15R1.138 C#CCCCNCC(O)c1ccccc1 2230a_100000210709_100000731252 [1,1,0,0,0,0|0,0,1]=3 6387 B15R1.138 C#CCCCNCC(O)c1ccccc1 34a_100000718082_100000185958 [1,1,0,0,0,0|0,0,1]=3 6388 B15R1.138 C#CCCCNCC(O)c1ccccn1 2230a_100000691469_100000731252 [1,1,0,0,0,0|1,0,1]=4 6389 B15R1.138 C#CCCCNCC(O)c1cccnc1 2230a_100020605170_100000731252 [1,1,0,0,0,0|1,0,1]=4 6390 B15R1.138 C#CCCCNC[C@@H](O)c1ccccc1 34a_100000718082_100011933945 [1,1,0,0,0,0|0,0,1]=3 6391 B15R1.138 C#CCCCOCC(O)c1ccccc1 34a_100000215630_100000185958 [1,1,0,0,0,0|1,0,1]=4 6392 B15R1.138 C#CCCCOCC(O)c1ccccc1 7a_100000215630_100000185958 [1,1,0,0,0,0|1,0,1]=4 6393 B15R1.138 C#CCCCOC[C@@H](O)c1ccccc1 34a_100000215630_100011933945 [1,1,0,0,0,0|1,0,1]=4 6394 B15R1.138 C#CCCCOC[C@@H](O)c1ccccc1 7a_100000215630_100011933945 [1,1,0,0,0,0|1,0,1]=4 6395 B15R1.138 C#CCCCSCC(O)c1ccccc1 62a_100000185958_100011215417 [1,1,0,0,0,0|1,0,1]=4 6396 B15R1.138 C#CCCCSCC(O)c1ccccc1 62a_100011215417_100000185958 [1,1,0,0,0,0|1,0,1]=4 6397 B15R1.138 C#CCCCSC[C@@H](O)c1ccccc1 62a_100011215417_100011933945 [1,1,0,0,0,0|1,0,1]=4 6398 B15R1.138 C#CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215417 [1,1,0,0,0,0|1,0,1]=4 6399 B15R1.138 C#CCCNCCC(O)c1ccccc1 2230a_100000763605_100000688953 [1,1,0,0,0,0|0,0,2]=4 6400 B15R1.138 C#CCCNCC[C@@H](O)c1ccccc1 34a_100000755551_100000729684 [1,1,0,0,0,0|0,0,2]=4 6401 B15R1.138 C/C=C/CCOCC(O)c1ccccc1 34a_100016278192_100000185958 [1,1,0,0,0,0|1,0,1]=4 6402 B15R1.138 C/C=C/CCOC[C@@H](O)c1ccccc1 34a_100016278192_100011933945 [1,1,0,0,0,0|1,0,1]=4 6403 B15R1.138 C=CCCCNCC(C)c1ccccc1 2230a_100000700776_100000756946 [1,1,0,0,0,0|1,0,1]=4 6404 B15R1.138 C=CCCCNCC(C)c1ccccc1 2230a_100000701038_100011713584 [1,1,0,0,0,0|1,0,1]=4 6405 B15R1.138 C=CCCCNCC(C)c1ccccc1 270004a_100000700776_100000212034 [1,1,0,0,0,0|1,0,1]=4 6406 B15R1.138 C=CCCCNCC(C)c1ccccc1 34a_100000700776_100000756946 [1,1,0,0,0,0|1,0,1]=4 6407 B15R1.138 C=CCCCNCC(C)c1ccccc1 34a_100000701038_100000757094 [1,1,0,0,0,0|1,0,1]=4 6408 B15R1.138 C=CCCCNCC(O)c1ccccc1 2230a_100000210709_100011713584 [1,1,0,0,0,0|0,0,1]=3 6409 B15R1.138 C=CCCCNCC(O)c1ccccc1 2230a_100000700776_100000185958 [1,1,0,0,0,0|0,0,1]=3 6410 B15R1.138 C=CCCCNCC(O)c1ccccc1 34a_100000700776_100000185958 [1,1,0,0,0,0|0,0,1]=3 6411 B15R1.138 C=CCCCNCC(O)c1ccccn1 2230a_100000691469_100011713584 [1,1,0,0,0,0|1,0,1]=4 6412 B15R1.138 C=CCCCNCC(O)c1cccnc1 2230a_100020605170_100011713584 [1,1,0,0,0,0|1,0,1]=4 6413 B15R1.138 C=CCCCNC[C@@H](O)c1ccccc1 2230a_100000700776_100011933945 [1,1,0,0,0,0|0,0,1]=3 6414 B15R1.138 C=CCCCNC[C@@H](O)c1ccccc1 34a_100000700776_100011933945 [1,1,0,0,0,0|0,0,1]=3 6415 B15R1.138 C=CCCCOCC(O)c1ccccc1 34a_100000758997_100000185958 [1,1,0,0,0,0|1,0,1]=4 6416 B15R1.138 C=CCCCOCC(O)c1ccccc1 7a_100000758997_100000185958 [1,1,0,0,0,0|1,0,1]=4 6417 B15R1.138 C=CCCCOC[C@@H](O)c1ccccc1 34a_100000758997_100011933945 [1,1,0,0,0,0|1,0,1]=4 6418 B15R1.138 C=CCCCOC[C@@H](O)c1ccccc1 7a_100000758997_100011933945 [1,1,0,0,0,0|1,0,1]=4 6419 B15R1.138 C=CCCCSCC(O)c1ccccc1 62a_100000185958_100000757094 [1,1,0,0,0,0|1,0,1]=4 6420 B15R1.138 C=CCCCSCC(O)c1ccccc1 62a_100011713584_100000185958 [1,1,0,0,0,0|1,0,1]=4 6421 B15R1.138 C=CCCCSC[C@@H](O)c1ccccc1 62a_100011713584_100011933945 [1,1,0,0,0,0|1,0,1]=4 6422 B15R1.138 C=CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000757094 [1,1,0,0,0,0|1,0,1]=4 6423 B15R1.138 C=CCCNCCC(O)c1ccccc1 2230a_100000763605_100000754431 [1,1,0,0,0,0|0,0,2]=4 6424 B15R1.138 C=CCCNCC[C@@H](O)c1ccccc1 2230a_100015191253_100000729684 [1,1,0,0,0,0|0,0,2]=4 6425 B15R1.138 C=COCCNCC(O)c1ccccc1 2230a_100000210709_100000039644 [1,1,0,0,0,0|0,0,2]=4 6426 B15R1.138 CC#CCCOCC(O)c1ccccc1 34a_100000750427_100000185958 [1,1,0,0,0,0|1,0,1]=4 6427 B15R1.138 CC#CCCOC[C@@H](O)c1ccccc1 34a_100000750427_100011933945 [1,1,0,0,0,0|1,0,1]=4 6428 B15R1.138 CC#CCNCCC(O)c1ccccc1 2230a_100000763605_100000748600 [1,1,0,0,0,0|0,0,2]=4 6429 B15R1.138 CC#CCNCC[C@@H](O)c1ccccc1 2230a_100000685387_100000729684 [1,1,0,0,0,0|0,0,2]=4 6430 B15R1.138 CC#CCNCC[C@@H](O)c1ccccc1 34a_100000685387_100000729684 [1,1,0,0,0,0|0,0,2]=4 6431 B15R1.138 CC(CCNCCCF)c1ccccc1 270004a_100015189416_100000189432 [1,1,0,0,0,0|2,0,0]=4 6432 B15R1.138 CC(CCNCCCO)c1ccccc1 270004a_100000182051_100000189432 [1,1,0,0,0,0|2,0,0]=4 6433 B15R1.138 CC(CNCCCC#N)c1ccccc1 2230a_100000701038_100000687738 [1,1,0,0,0,0|1,0,1]=4 6434 B15R1.138 CC(CNCCCC=O)c1ccccc1 2230a_100000701038_200011292268 [1,1,0,0,0,0|1,0,1]=4 6435 B15R1.138 CC(CNCCCCF)c1ccccc1 2230a_100000701038_100000729493 [1,1,0,0,0,0|1,0,0]=3 6436 B15R1.138 CC(CNCCCCF)c1ccccc1 34a_100000701038_100000729493 [1,1,0,0,0,0|1,0,0]=3 6437 B15R1.138 CC(CNCCCCO)c1ccccc1 2230a_100000701038_100000210776 [1,1,0,0,0,0|1,0,0]=3 6438 B15R1.138 CC(CNCCCCO)c1ccccc1 2230a_100000750430_100000756946 [1,1,0,0,0,0|1,0,0]=3 6439 B15R1.138 CC(CNCCCCO)c1ccccc1 270004a_100000750430_100000212034 [1,1,0,0,0,0|1,0,0]=3 6440 B15R1.138 CC(CNCCCCO)c1ccccc1 34a_100000701038_100011216708 [1,1,0,0,0,0|1,0,0]=3 6441 B15R1.138 CC(CNCCCCO)c1ccccc1 34a_100000750430_100000756946 [1,1,0,0,0,0|1,0,0]=3 6442 B15R1.138 CC(COCCCCBr)c1ccccc1 34a_100011216708_100000756946 [1,1,0,0,0,0|2,0,0]=4 6443 B15R1.138 CC(COCCCCCl)c1ccccc1 34a_100000210776_100000756946 [1,1,0,0,0,0|2,0,0]=4 6444 B15R1.138 CC(COCCCCCl)c1ccccc1 7a_100000210776_100000756946 [1,1,0,0,0,0|2,0,0]=4 6445 B15R1.138 CC(COCCCCF)c1ccccc1 34a_100011215166_100000729493 [1,1,0,0,0,0|2,0,0]=4 6446 B15R1.138 CC(COCCCCF)c1ccccc1 34a_100011995726_100000756946 [1,1,0,0,0,0|2,0,0]=4 6447 B15R1.138 CC(COCCCCF)c1ccccc1 7a_100011215166_100000729493 [1,1,0,0,0,0|2,0,0]=4 6448 B15R1.138 CC(COCCCCF)c1ccccc1 7a_100011995726_100000756946 [1,1,0,0,0,0|2,0,0]=4 6449 B15R1.138 CC(COCCCCI)c1ccccc1 34a_200012148704_100000756946 [1,1,0,0,0,0|2,0,0]=4 6450 B15R1.138 CC(COCCCCN)c1ccccc1 34a_100000750430_100000756946 [1,1,0,0,0,0|2,0,0]=4 6451 B15R1.138 CC(COCCCCO)c1ccccc1 34a_100011215166_100011216708 [1,1,0,0,0,0|2,0,0]=4 6452 B15R1.138 CC(COCCCCO)c1ccccc1 7a_100011215166_100000210776 [1,1,0,0,0,0|2,0,0]=4 6453 B15R1.138 CC(CSCCCCF)c1ccccc1 62a_100000729493_100000756946 [1,1,0,0,0,0|2,0,0]=4 6454 B15R1.138 CC(CSCCCCF)c1ccccc1 62a_100000756946_100000729493 [1,1,0,0,0,0|2,0,0]=4 6455 B15R1.138 CC(CSCCCCO)c1ccccc1 62a_100000210776_100000756946 [1,1,0,0,0,0|2,0,0]=4 6456 B15R1.138 CC(CSCCCCO)c1ccccc1 62a_100000756946_100000210776 [1,1,0,0,0,0|2,0,0]=4 6457 B15R1.138 CC/C=C\CNCC(C)c1ccccc1 2230a_100000701038_100103147603 [1,1,0,0,0,0|1,0,1]=4 6458 B15R1.138 CC/C=C\CNCC(C)c1ccccc1 34a_100000701038_100103147603 [1,1,0,0,0,0|1,0,1]=4 6459 B15R1.138 CC/C=C\CNCC(O)c1ccccc1 2230a_100000210709_100103147603 [1,1,0,0,0,0|0,0,1]=3 6460 B15R1.138 CC/C=C\CNCC(O)c1ccccn1 2230a_100000691469_100103147603 [1,1,0,0,0,0|1,0,1]=4 6461 B15R1.138 CC/C=C\CNCC(O)c1cccnc1 2230a_100020605170_100103147603 [1,1,0,0,0,0|1,0,1]=4 6462 B15R1.138 CC/C=C\COCC(O)c1ccccc1 34a_100016268518_100000185958 [1,1,0,0,0,0|1,0,1]=4 6463 B15R1.138 CC/C=C\COC[C@@H](O)c1ccccc1 34a_100016268518_100011933945 [1,1,0,0,0,0|1,0,1]=4 6464 B15R1.138 CC/C=C\CSCC(O)c1ccccc1 62a_100000185958_100103147603 [1,1,0,0,0,0|1,0,1]=4 6465 B15R1.138 CC/C=C\CSCC(O)c1ccccc1 62a_100103147603_100000185958 [1,1,0,0,0,0|1,0,1]=4 6466 B15R1.138 CC/C=C\CSC[C@@H](O)c1ccccc1 62a_100011933945_100103147603 [1,1,0,0,0,0|1,0,1]=4 6467 B15R1.138 CC/C=C\CSC[C@@H](O)c1ccccc1 62a_100103147603_100011933945 [1,1,0,0,0,0|1,0,1]=4 6468 B15R1.138 CC=CCNCCC(O)c1ccccc1 2230a_100000763605_100000070051 [1,1,0,0,0,0|0,0,2]=4 6469 B15R1.138 CCC#CCNCC(C)c1ccccc1 2230a_100000701038_100009813939 [1,1,0,0,0,0|1,0,1]=4 6470 B15R1.138 CCC#CCNCC(C)c1ccccc1 34a_100000701038_100009813939 [1,1,0,0,0,0|1,0,1]=4 6471 B15R1.138 CCC#CCNCC(O)c1ccccc1 2230a_100000210709_100009813939 [1,1,0,0,0,0|0,0,1]=3 6472 B15R1.138 CCC#CCNCC(O)c1ccccn1 2230a_100000691469_100009813939 [1,1,0,0,0,0|1,0,1]=4 6473 B15R1.138 CCC#CCNCC(O)c1cccnc1 2230a_100020605170_100009813939 [1,1,0,0,0,0|1,0,1]=4 6474 B15R1.138 CCC#CCOCC(O)c1ccccc1 34a_100000032950_100000185958 [1,1,0,0,0,0|1,0,1]=4 6475 B15R1.138 CCC#CCOC[C@@H](O)c1ccccc1 34a_100000032950_100011933945 [1,1,0,0,0,0|1,0,1]=4 6476 B15R1.138 CCC#CCSCC(O)c1ccccc1 62a_100000185958_100009813939 [1,1,0,0,0,0|1,0,1]=4 6477 B15R1.138 CCC#CCSCC(O)c1ccccc1 62a_100009813939_100000185958 [1,1,0,0,0,0|1,0,1]=4 6478 B15R1.138 CCC#CCSC[C@@H](O)c1ccccc1 62a_100009813939_100011933945 [1,1,0,0,0,0|1,0,1]=4 6479 B15R1.138 CCC#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100009813939 [1,1,0,0,0,0|1,0,1]=4 6480 B15R1.138 CCCCCCNC(C)c1ccccc1 2230a_100000210581_100000230085 [1,1,0,0,0,0|2,0,0]=4 6481 B15R1.138 CCCCCCNC(C)c1ccccc1 269862a_100000210581_100000185851 [1,1,0,0,0,0|2,0,0]=4 6482 B15R1.138 CCCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210314 [1,1,0,0,0,0|2,0,0]=4 6483 B15R1.138 CCCCCCOC(C)c1ccccc1 34a_100000210259_100000211855 [1,1,0,0,0,0|2,0,0]=4 6484 B15R1.138 CCCCCCOC(C)c1ccccc1 7a_100000210259_100000230085 [1,1,0,0,0,0|2,0,0]=4 6485 B15R1.138 CCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210314 [1,1,0,0,0,0|2,0,0]=4 6486 B15R1.138 CCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210314 [1,1,0,0,0,0|2,0,0]=4 6487 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000209983_100000756946 [1,1,0,0,0,0|1,0,0]=3 6488 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000701038_100000210326 [1,1,0,0,0,0|1,0,0]=3 6489 B15R1.138 CCCCCNCC(C)c1ccccc1 270004a_100000209983_100000212034 [1,1,0,0,0,0|1,0,0]=3 6490 B15R1.138 CCCCCNCC(C)c1ccccc1 34a_100000701038_100000718602 [1,1,0,0,0,0|1,0,0]=3 6491 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000209983_100000185958 [1,1,0,0,0,0|0,0,0]=2 6492 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210326 [1,1,0,0,0,0|0,0,0]=2 6493 B15R1.138 CCCCCNCC(O)c1ccccn1 2230a_100000691469_100000210326 [1,1,0,0,0,0|1,0,0]=3 6494 B15R1.138 CCCCCNCC(O)c1cccnc1 2230a_100020605170_100000210326 [1,1,0,0,0,0|1,0,0]=3 6495 B15R1.138 CCCCCNC[C@@H](O)c1ccccc1 2230a_100000209983_100011933945 [1,1,0,0,0,0|0,0,0]=2 6496 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100000210253_100000756946 [1,1,0,0,0,0|2,0,0]=4 6497 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100011215166_100000718602 [1,1,0,0,0,0|2,0,0]=4 6498 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100000210253_100000756946 [1,1,0,0,0,0|2,0,0]=4 6499 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100011215166_100000210326 [1,1,0,0,0,0|2,0,0]=4 6500 B15R1.138 CCCCCOCC(O)c1ccccc1 34a_100000210253_100000185958 [1,1,0,0,0,0|1,0,0]=3 6501 B15R1.138 CCCCCOCC(O)c1ccccc1 7a_100000210253_100000185958 [1,1,0,0,0,0|1,0,0]=3 6502 B15R1.138 CCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000718602 [1,1,0,0,0,0|2,0,0]=4 6503 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 34a_100000210253_100011933945 [1,1,0,0,0,0|1,0,0]=3 6504 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 7a_100000210253_100011933945 [1,1,0,0,0,0|1,0,0]=3 6505 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000210326_100000756946 [1,1,0,0,0,0|2,0,0]=4 6506 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000756946_100000210326 [1,1,0,0,0,0|2,0,0]=4 6507 B15R1.138 CCCCCSCC(O)c1ccccc1 62a_100000185958_100000210326 [1,1,0,0,0,0|1,0,0]=3 6508 B15R1.138 CCCCCSCC(O)c1ccccc1 62a_100000210326_100000185958 [1,1,0,0,0,0|1,0,0]=3 6509 B15R1.138 CCCCCSC[C@@H](O)c1ccccc1 62a_100000210326_100011933945 [1,1,0,0,0,0|1,0,0]=3 6510 B15R1.138 CCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210326 [1,1,0,0,0,0|1,0,0]=3 6511 B15R1.138 CCCCNCCC(=O)c1ccccc1 2230a_100000102301_100000750707 [1,1,0,0,0,0|0,0,2]=4 6512 B15R1.138 CCCCNCCC(=O)c1ccccc1 7a_106832991798_100000750707 [1,1,0,0,0,0|0,0,2]=4 6513 B15R1.138 CCCCNCCC(C)c1ccccc1 270004a_100000102301_100000189432 [1,1,0,0,0,0|1,0,0]=3 6514 B15R1.138 CCCCNCCC(O)c1ccccc1 2230a_100000763605_100000210211 [1,1,0,0,0,0|0,0,0]=2 6515 B15R1.138 CCCCNCCS(=O)c1ccccc1 2230a_100000102301_100000740319 [1,1,0,0,0,0|1,0,1]=4 6516 B15R1.138 CCCCNCCS(=O)c1ccccc1 7a_106832991798_100000740319 [1,1,0,0,0,0|1,0,1]=4 6517 B15R1.138 CCCCNCC[C@@H](O)c1ccccc1 2230a_100000102301_100000729684 [1,1,0,0,0,0|0,0,0]=2 6518 B15R1.138 CCCCNCC[C@@H](O)c1ccccc1 7a_106832991798_100000729684 [1,1,0,0,0,0|0,0,0]=2 6519 B15R1.138 CCCCNCOC(=O)c1ccccc1 7a_106832991798_100000073877 [1,1,0,0,0,0|0,0,2]=4 6520 B15R1.138 CCCCNN=CC(C)c1ccccc1 4a_100025702795_100000212034 [1,1,0,0,0,0|1,0,1]=4 6521 B15R1.138 CCCCOCC[C@@H](O)c1ccccc1 34a_100000210227_100000729684 [1,1,0,0,0,0|1,0,0]=3 6522 B15R1.138 CCCCOCC[C@@H](O)c1ccccc1 7a_100000210227_100000729684 [1,1,0,0,0,0|1,0,0]=3 6523 B15R1.138 CCCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210210 [1,1,0,0,0,0|2,0,0]=4 6524 B15R1.138 CCCCOCN[C@H](C)c1ccccc1 2230a_100000751104_100011995733 [1,1,0,0,0,0|2,0,0]=4 6525 B15R1.138 CCCCOCO[C@H](C)c1ccccc1 34a_100000761318_100011995733 [1,1,0,0,0,0|2,0,0]=4 6526 B15R1.138 CCCCOCSC(C)c1ccccc1 62a_100000230085_100011995733 [1,1,0,0,0,0|2,0,0]=4 6527 B15R1.138 CCCCOCSC(C)c1ccccc1 62a_100011995733_100000230085 [1,1,0,0,0,0|2,0,0]=4 6528 B15R1.138 CCCCSCC[C@@H](O)c1ccccc1 62a_100000210211_100000729684 [1,1,0,0,0,0|1,0,0]=3 6529 B15R1.138 CCCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210210 [1,1,0,0,0,0|1,0,0]=3 6530 B15R1.138 CCCOCCCC(N)c1ccccc1 34a_100000759318_100000210303 [1,1,0,0,0,0|2,0,0]=4 6531 B15R1.138 CCOCCNCC(C)c1ccccc1 2230a_100000701038_100011215890 [1,1,0,0,0,0|1,0,0]=3 6532 B15R1.138 CCOCCNCC(C)c1ccccc1 2230a_102516460346_100000756946 [1,1,0,0,0,0|1,0,0]=3 6533 B15R1.138 CCOCCNCC(C)c1ccccc1 270004a_102516460346_100000212034 [1,1,0,0,0,0|1,0,0]=3 6534 B15R1.138 CCOCCNCC(C)c1ccccc1 34a_100000701038_100000210147 [1,1,0,0,0,0|1,0,0]=3 6535 B15R1.138 CCOCCNCC(C)c1ccccc1 34a_102516460346_100000756946 [1,1,0,0,0,0|1,0,0]=3 6536 B15R1.138 CCOCCNCC(O)c1ccccc1 2230a_100000210709_100011215890 [1,1,0,0,0,0|0,0,0]=2 6537 B15R1.138 CCOCCNCC(O)c1ccccc1 2230a_102516460346_100000185958 [1,1,0,0,0,0|0,0,0]=2 6538 B15R1.138 CCOCCNCC(O)c1ccccc1 34a_102516460346_100000185958 [1,1,0,0,0,0|0,0,0]=2 6539 B15R1.138 CCOCCNCC(O)c1ccccn1 2230a_100000691469_100011215890 [1,1,0,0,0,0|1,0,0]=3 6540 B15R1.138 CCOCCNCC(O)c1cccnc1 2230a_100020605170_100011215890 [1,1,0,0,0,0|1,0,0]=3 6541 B15R1.138 CCOCCNC[C@@H](O)c1ccccc1 2230a_102516460346_100011933945 [1,1,0,0,0,0|0,0,0]=2 6542 B15R1.138 CCOCCNC[C@@H](O)c1ccccc1 34a_102516460346_100011933945 [1,1,0,0,0,0|0,0,0]=2 6543 B15R1.138 CCOCCOCC(C)c1ccccc1 34a_100000210136_100000756946 [1,1,0,0,0,0|2,0,0]=4 6544 B15R1.138 CCOCCOCC(C)c1ccccc1 34a_100011215166_100000210147 [1,1,0,0,0,0|2,0,0]=4 6545 B15R1.138 CCOCCOCC(C)c1ccccc1 7a_100000210136_100000756946 [1,1,0,0,0,0|2,0,0]=4 6546 B15R1.138 CCOCCOCC(C)c1ccccc1 7a_100011215166_100011215890 [1,1,0,0,0,0|2,0,0]=4 6547 B15R1.138 CCOCCOCC(O)c1ccccc1 34a_100000210136_100000185958 [1,1,0,0,0,0|1,0,0]=3 6548 B15R1.138 CCOCCOCC(O)c1ccccc1 7a_100000210136_100000185958 [1,1,0,0,0,0|1,0,0]=3 6549 B15R1.138 CCOCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210147 [1,1,0,0,0,0|2,0,0]=4 6550 B15R1.138 CCOCCOC[C@@H](O)c1ccccc1 34a_100000210136_100011933945 [1,1,0,0,0,0|1,0,0]=3 6551 B15R1.138 CCOCCOC[C@@H](O)c1ccccc1 7a_100000210136_100011933945 [1,1,0,0,0,0|1,0,0]=3 6552 B15R1.138 CCOCCSCC(C)c1ccccc1 62a_100000210147_100000756946 [1,1,0,0,0,0|2,0,0]=4 6553 B15R1.138 CCOCCSCC(C)c1ccccc1 62a_100000756946_100011215890 [1,1,0,0,0,0|2,0,0]=4 6554 B15R1.138 CCOCCSCC(O)c1ccccc1 62a_100000185958_100011215890 [1,1,0,0,0,0|1,0,0]=3 6555 B15R1.138 CCOCCSCC(O)c1ccccc1 62a_100000210147_100000185958 [1,1,0,0,0,0|1,0,0]=3 6556 B15R1.138 CCOCCSC[C@@H](O)c1ccccc1 62a_100000210147_100011933945 [1,1,0,0,0,0|1,0,0]=3 6557 B15R1.138 CCOCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215890 [1,1,0,0,0,0|1,0,0]=3 6558 B15R1.138 CCOCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000739092 [1,1,0,0,0,0|2,0,0]=4 6559 B15R1.138 CCOCSCC[C@@H](O)c1ccccc1 62a_100000739092_100000729684 [1,1,0,0,0,0|2,0,0]=4 6560 B15R1.138 CCSCCNCC(C)c1ccccc1 2230a_100000106463_100000756946 [1,1,0,0,0,0|1,0,0]=3 6561 B15R1.138 CCSCCNCC(C)c1ccccc1 2230a_100000701038_100000757381 [1,1,0,0,0,0|1,0,0]=3 6562 B15R1.138 CCSCCNCC(C)c1ccccc1 270004a_100000106463_100000212034 [1,1,0,0,0,0|1,0,0]=3 6563 B15R1.138 CCSCCNCC(C)c1ccccc1 34a_100000701038_100000757381 [1,1,0,0,0,0|1,0,0]=3 6564 B15R1.138 CCSCCNCC(O)c1ccccc1 2230a_100000106463_100000185958 [1,1,0,0,0,0|0,0,0]=2 6565 B15R1.138 CCSCCNCC(O)c1ccccc1 2230a_100000210709_100000757381 [1,1,0,0,0,0|0,0,0]=2 6566 B15R1.138 CCSCCNCC(O)c1ccccn1 2230a_100000691469_100000757381 [1,1,0,0,0,0|1,0,0]=3 6567 B15R1.138 CCSCCNCC(O)c1cccnc1 2230a_100020605170_100000757381 [1,1,0,0,0,0|1,0,0]=3 6568 B15R1.138 CCSCCNC[C@@H](O)c1ccccc1 2230a_100000106463_100011933945 [1,1,0,0,0,0|0,0,0]=2 6569 B15R1.138 CCSCCOCC(C)c1ccccc1 34a_100000212035_100000756946 [1,1,0,0,0,0|2,0,0]=4 6570 B15R1.138 CCSCCOCC(C)c1ccccc1 34a_100011215166_100000757381 [1,1,0,0,0,0|2,0,0]=4 6571 B15R1.138 CCSCCOCC(C)c1ccccc1 7a_100000212035_100000756946 [1,1,0,0,0,0|2,0,0]=4 6572 B15R1.138 CCSCCOCC(C)c1ccccc1 7a_100011215166_100000757381 [1,1,0,0,0,0|2,0,0]=4 6573 B15R1.138 CCSCCOCC(O)c1ccccc1 34a_100000212035_100000185958 [1,1,0,0,0,0|1,0,0]=3 6574 B15R1.138 CCSCCOCC(O)c1ccccc1 7a_100000212035_100000185958 [1,1,0,0,0,0|1,0,0]=3 6575 B15R1.138 CCSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000757381 [1,1,0,0,0,0|2,0,0]=4 6576 B15R1.138 CCSCCOC[C@@H](O)c1ccccc1 34a_100000212035_100011933945 [1,1,0,0,0,0|1,0,0]=3 6577 B15R1.138 CCSCCOC[C@@H](O)c1ccccc1 7a_100000212035_100011933945 [1,1,0,0,0,0|1,0,0]=3 6578 B15R1.138 CCSCCSCC(C)c1ccccc1 62a_100000756946_100000757381 [1,1,0,0,0,0|2,0,0]=4 6579 B15R1.138 CCSCCSCC(C)c1ccccc1 62a_100000757381_100000756946 [1,1,0,0,0,0|2,0,0]=4 6580 B15R1.138 CCSCCSCC(O)c1ccccc1 62a_100000185958_100000757381 [1,1,0,0,0,0|1,0,0]=3 6581 B15R1.138 CCSCCSCC(O)c1ccccc1 62a_100000757381_100000185958 [1,1,0,0,0,0|1,0,0]=3 6582 B15R1.138 CCSCCSC[C@@H](O)c1ccccc1 62a_100000757381_100011933945 [1,1,0,0,0,0|1,0,0]=3 6583 B15R1.138 CCSCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000757381 [1,1,0,0,0,0|1,0,0]=3 6584 B15R1.138 CNCCCOCC(C)c1ccccc1 34a_100000213112_100000756946 [1,1,0,0,0,0|2,0,0]=4 6585 B15R1.138 CNCCCOCC(O)c1ccccc1 34a_100000213112_100000185958 [1,1,0,0,0,0|1,0,0]=3 6586 B15R1.138 CNCCCOC[C@@H](O)c1ccccc1 34a_100000213112_100011933945 [1,1,0,0,0,0|1,0,0]=3 6587 B15R1.138 COCCCNCC(C)c1ccccc1 2230a_100000701038_100000740836 [1,1,0,0,0,0|1,0,0]=3 6588 B15R1.138 COCCCNCC(C)c1ccccc1 270004a_100150723488_100000212034 [1,1,0,0,0,0|1,0,0]=3 6589 B15R1.138 COCCCNCC(C)c1ccccc1 34a_100000701038_100000740836 [1,1,0,0,0,0|1,0,0]=3 6590 B15R1.138 COCCCNCC(C)c1ccccc1 34a_100150723488_100000756946 [1,1,0,0,0,0|1,0,0]=3 6591 B15R1.138 COCCCNCC(O)c1ccccc1 2230a_100000210709_100000740836 [1,1,0,0,0,0|0,0,0]=2 6592 B15R1.138 COCCCNCC(O)c1ccccc1 34a_100150723488_100000185958 [1,1,0,0,0,0|0,0,0]=2 6593 B15R1.138 COCCCNCC(O)c1ccccn1 2230a_100000691469_100000740836 [1,1,0,0,0,0|1,0,0]=3 6594 B15R1.138 COCCCNCC(O)c1cccnc1 2230a_100020605170_100000740836 [1,1,0,0,0,0|1,0,0]=3 6595 B15R1.138 COCCCNC[C@@H](O)c1ccccc1 34a_100150723488_100011933945 [1,1,0,0,0,0|0,0,0]=2 6596 B15R1.138 COCCCOCC(C)c1ccccc1 34a_100000740835_100000756946 [1,1,0,0,0,0|2,0,0]=4 6597 B15R1.138 COCCCOCC(C)c1ccccc1 34a_100011215166_100000740836 [1,1,0,0,0,0|2,0,0]=4 6598 B15R1.138 COCCCOCC(C)c1ccccc1 7a_100011215166_100000740836 [1,1,0,0,0,0|2,0,0]=4 6599 B15R1.138 COCCCOCC(O)c1ccccc1 34a_100000740835_100000185958 [1,1,0,0,0,0|1,0,0]=3 6600 B15R1.138 COCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000740836 [1,1,0,0,0,0|2,0,0]=4 6601 B15R1.138 COCCCOC[C@@H](O)c1ccccc1 34a_100000740835_100011933945 [1,1,0,0,0,0|1,0,0]=3 6602 B15R1.138 COCCCSCC(C)c1ccccc1 62a_100000709357_100000756946 [1,1,0,0,0,0|2,0,0]=4 6603 B15R1.138 COCCCSCC(C)c1ccccc1 62a_100000756946_100000709357 [1,1,0,0,0,0|2,0,0]=4 6604 B15R1.138 COCCCSCC(O)c1ccccc1 62a_100000185958_100000709357 [1,1,0,0,0,0|1,0,0]=3 6605 B15R1.138 COCCCSCC(O)c1ccccc1 62a_100000709357_100000185958 [1,1,0,0,0,0|1,0,0]=3 6606 B15R1.138 COCCCSC[C@@H](O)c1ccccc1 62a_100000709357_100011933945 [1,1,0,0,0,0|1,0,0]=3 6607 B15R1.138 COCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000709357 [1,1,0,0,0,0|1,0,0]=3 6608 B15R1.138 COCCNCCC(C)c1ccccc1 270004a_100000209980_100000189432 [1,1,0,0,0,0|2,0,0]=4 6609 B15R1.138 COCCNCCC(O)c1ccccc1 2230a_100000763605_100011201679 [1,1,0,0,0,0|1,0,0]=3 6610 B15R1.138 COCCNCC[C@@H](O)c1ccccc1 2230a_100000209980_100000729684 [1,1,0,0,0,0|1,0,0]=3 6611 B15R1.138 COCCOCC[C@@H](O)c1ccccc1 34a_100000210237_100000729684 [1,1,0,0,0,0|2,0,0]=4 6612 B15R1.138 COCCSCC[C@@H](O)c1ccccc1 62a_100000233755_100000729684 [1,1,0,0,0,0|2,0,0]=4 6613 B15R1.138 COCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000233755 [1,1,0,0,0,0|2,0,0]=4 6614 B15R1.138 CSCCCNCC(C)c1ccccc1 2230a_100000749238_100000756946 [1,1,0,0,0,0|1,0,0]=3 6615 B15R1.138 CSCCCNCC(C)c1ccccc1 270004a_100000749238_100000212034 [1,1,0,0,0,0|1,0,0]=3 6616 B15R1.138 CSCCCNCC(O)c1ccccc1 2230a_100000749238_100000185958 [1,1,0,0,0,0|0,0,0]=2 6617 B15R1.138 CSCCCNC[C@@H](O)c1ccccc1 2230a_100000749238_100011933945 [1,1,0,0,0,0|0,0,0]=2 6618 B15R1.138 CSCCCOCC(C)c1ccccc1 34a_100000690336_100000756946 [1,1,0,0,0,0|2,0,0]=4 6619 B15R1.138 CSCCCOCC(C)c1ccccc1 7a_100000690336_100000756946 [1,1,0,0,0,0|2,0,0]=4 6620 B15R1.138 CSCCCOCC(O)c1ccccc1 34a_100000690336_100000185958 [1,1,0,0,0,0|1,0,0]=3 6621 B15R1.138 CSCCCOCC(O)c1ccccc1 7a_100000690336_100000185958 [1,1,0,0,0,0|1,0,0]=3 6622 B15R1.138 CSCCCOC[C@@H](O)c1ccccc1 34a_100000690336_100011933945 [1,1,0,0,0,0|1,0,0]=3 6623 B15R1.138 CSCCCOC[C@@H](O)c1ccccc1 7a_100000690336_100011933945 [1,1,0,0,0,0|1,0,0]=3 6624 B15R1.138 CSCCNCCC(C)c1ccccc1 270004a_100020590264_100000189432 [1,1,0,0,0,0|2,0,0]=4 6625 B15R1.138 CSCCNCCC(O)c1ccccc1 2230a_100000763605_100000751147 [1,1,0,0,0,0|1,0,0]=3 6626 B15R1.138 CSCCNCC[C@@H](O)c1ccccc1 2230a_100020590264_100000729684 [1,1,0,0,0,0|1,0,0]=3 6627 B15R1.138 CSCCOCC[C@@H](O)c1ccccc1 34a_100000230434_100000729684 [1,1,0,0,0,0|2,0,0]=4 6628 B15R1.138 CSCCOCC[C@@H](O)c1ccccc1 7a_100000230434_100000729684 [1,1,0,0,0,0|2,0,0]=4 6629 B15R1.138 CSCCSCC[C@@H](O)c1ccccc1 62a_100000212216_100000729684 [1,1,0,0,0,0|2,0,0]=4 6630 B15R1.138 CSCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000751147 [1,1,0,0,0,0|2,0,0]=4 6631 B15R1.138 N#CCCCNCC(O)c1ccccc1 2230a_100000210709_100000687738 [1,1,0,0,0,0|0,0,1]=3 6632 B15R1.138 N#CCCCNCC(O)c1ccccn1 2230a_100000691469_100000687738 [1,1,0,0,0,0|1,0,1]=4 6633 B15R1.138 N#CCCCNCC(O)c1cccnc1 2230a_100020605170_100000687738 [1,1,0,0,0,0|1,0,1]=4 6634 B15R1.138 N#CCCCSCC(O)c1ccccc1 62a_100000185958_100000687738 [1,1,0,0,0,0|1,0,1]=4 6635 B15R1.138 N#CCCCSCC(O)c1ccccc1 62a_100000687738_100000185958 [1,1,0,0,0,0|1,0,1]=4 6636 B15R1.138 N#CCCCSC[C@@H](O)c1ccccc1 62a_100000687738_100011933945 [1,1,0,0,0,0|1,0,1]=4 6637 B15R1.138 N#CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000687738 [1,1,0,0,0,0|1,0,1]=4 6638 B15R1.138 N#CCCNCCC(O)c1ccccc1 2230a_100000763605_100011215226 [1,1,0,0,0,0|1,0,1]=4 6639 B15R1.138 NCCCCOCC(O)c1ccccc1 34a_100000750430_100000185958 [1,1,0,0,0,0|1,0,0]=3 6640 B15R1.138 NCCCCOC[C@@H](O)c1ccccc1 34a_100000750430_100011933945 [1,1,0,0,0,0|1,0,0]=3 6641 B15R1.138 NCCCOCC[C@@H](O)c1ccccc1 34a_100000182051_100000729684 [1,1,0,0,0,0|2,0,0]=4 6642 B15R1.138 N[C@H](COCCCCF)c1ccccc1 34a_100000751927_100000729493 [1,1,0,0,0,0|2,0,0]=4 6643 B15R1.138 N[C@H](COCCCCO)c1ccccc1 34a_100000751927_100011216708 [1,1,0,0,0,0|2,0,0]=4 6644 B15R1.138 O=CCCCNCC(O)c1ccccc1 2230a_100000210709_200011292268 [1,1,0,0,0,0|0,0,1]=3 6645 B15R1.138 O=CCCCNCC(O)c1ccccn1 2230a_100000691469_200011292268 [1,1,0,0,0,0|1,0,1]=4 6646 B15R1.138 O=CCCCNCC(O)c1cccnc1 2230a_100020605170_200011292268 [1,1,0,0,0,0|1,0,1]=4 6647 B15R1.138 O=CCCCSCC(O)c1ccccc1 62a_100000185958_200011292268 [1,1,0,0,0,0|1,0,1]=4 6648 B15R1.138 O=CCCCSCC(O)c1ccccc1 62a_200011292268_100000185958 [1,1,0,0,0,0|1,0,1]=4 6649 B15R1.138 O=CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_200011292268 [1,1,0,0,0,0|1,0,1]=4 6650 B15R1.138 O=CCCCSC[C@@H](O)c1ccccc1 62a_200011292268_100011933945 [1,1,0,0,0,0|1,0,1]=4 6651 B15R1.138 OC(CCNCCCF)c1ccccc1 2230a_100000763605_100011934791 [1,1,0,0,0,0|1,0,0]=3 6652 B15R1.138 OC(CNCCCCF)c1ccccc1 2230a_100000210709_100000729493 [1,1,0,0,0,0|0,0,0]=2 6653 B15R1.138 OC(CNCCCCF)c1ccccn1 2230a_100000691469_100000729493 [1,1,0,0,0,0|1,0,0]=3 6654 B15R1.138 OC(CNCCCCF)c1cccnc1 2230a_100020605170_100000729493 [1,1,0,0,0,0|1,0,0]=3 6655 B15R1.138 OC(COCCCCBr)c1ccccc1 34a_100011216708_100000185958 [1,1,0,0,0,0|1,0,0]=3 6656 B15R1.138 OC(COCCCCCl)c1ccccc1 34a_100000210776_100000185958 [1,1,0,0,0,0|1,0,0]=3 6657 B15R1.138 OC(COCCCCCl)c1ccccc1 7a_100000210776_100000185958 [1,1,0,0,0,0|1,0,0]=3 6658 B15R1.138 OC(COCCCCF)c1ccccc1 34a_100011995726_100000185958 [1,1,0,0,0,0|1,0,0]=3 6659 B15R1.138 OC(COCCCCF)c1ccccc1 7a_100011995726_100000185958 [1,1,0,0,0,0|1,0,0]=3 6660 B15R1.138 OC(COCCCCI)c1ccccc1 34a_200012148704_100000185958 [1,1,0,0,0,0|1,0,0]=3 6661 B15R1.138 OC(CSCCCCF)c1ccccc1 62a_100000185958_100000729493 [1,1,0,0,0,0|1,0,0]=3 6662 B15R1.138 OC(CSCCCCF)c1ccccc1 62a_100000729493_100000185958 [1,1,0,0,0,0|1,0,0]=3 6663 B15R1.138 OCC#CCNCC(O)c1ccccc1 2230a_100000210709_200000047223 [1,1,0,0,0,0|0,0,2]=4 6664 B15R1.138 OCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210776 [1,1,0,0,0,0|0,0,0]=2 6665 B15R1.138 OCCCCNCC(O)c1ccccc1 2230a_100000750430_100000185958 [1,1,0,0,0,0|0,0,0]=2 6666 B15R1.138 OCCCCNCC(O)c1ccccc1 34a_100000750430_100000185958 [1,1,0,0,0,0|0,0,0]=2 6667 B15R1.138 OCCCCNCC(O)c1ccccn1 2230a_100000691469_100000210776 [1,1,0,0,0,0|1,0,0]=3 6668 B15R1.138 OCCCCNCC(O)c1cccnc1 2230a_100020605170_100000210776 [1,1,0,0,0,0|1,0,0]=3 6669 B15R1.138 OCCCCNC[C@@H](O)c1ccccc1 2230a_100000750430_100011933945 [1,1,0,0,0,0|0,0,0]=2 6670 B15R1.138 OCCCCNC[C@@H](O)c1ccccc1 34a_100000750430_100011933945 [1,1,0,0,0,0|0,0,0]=2 6671 B15R1.138 OCCCCSCC(O)c1ccccc1 62a_100000185958_100000210776 [1,1,0,0,0,0|1,0,0]=3 6672 B15R1.138 OCCCCSCC(O)c1ccccc1 62a_100000210776_100000185958 [1,1,0,0,0,0|1,0,0]=3 6673 B15R1.138 OCCCCSC[C@@H](O)c1ccccc1 62a_100000210776_100011933945 [1,1,0,0,0,0|1,0,0]=3 6674 B15R1.138 OCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210776 [1,1,0,0,0,0|1,0,0]=3 6675 B15R1.138 OCCCNCCC(O)c1ccccc1 2230a_100000763605_100000230001 [1,1,0,0,0,0|1,0,0]=3 6676 B15R1.138 OCCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011215043 [1,1,0,0,0,0|2,0,0]=4 6677 B15R1.138 OCCCSCC[C@@H](O)c1ccccc1 62a_100011215043_100000729684 [1,1,0,0,0,0|2,0,0]=4 6678 B15R1.138 O[C@H](CCNCCCF)c1ccccc1 2230a_100015189416_100000729684 [1,1,0,0,0,0|1,0,0]=3 6679 B15R1.138 O[C@H](CCNCCCF)c1ccccc1 34a_100015189416_100000729684 [1,1,0,0,0,0|1,0,0]=3 6680 B15R1.138 O[C@H](CCOCCCBr)c1ccccc1 34a_100011217188_100000729684 [1,1,0,0,0,0|2,0,0]=4 6681 B15R1.138 O[C@H](CCOCCCCl)c1ccccc1 34a_100000230001_100000729684 [1,1,0,0,0,0|2,0,0]=4 6682 B15R1.138 O[C@H](CCOCCCF)c1ccccc1 34a_100000759539_100000729684 [1,1,0,0,0,0|2,0,0]=4 6683 B15R1.138 O[C@H](CCSCCCF)c1ccccc1 62a_100000729684_100011934791 [1,1,0,0,0,0|2,0,0]=4 6684 B15R1.138 O[C@H](CCSCCCF)c1ccccc1 62a_100011934791_100000729684 [1,1,0,0,0,0|2,0,0]=4 6685 B15R1.138 O[C@H](COCCCCBr)c1ccccc1 34a_100011216708_100011933945 [1,1,0,0,0,0|1,0,0]=3 6686 B15R1.138 O[C@H](COCCCCCl)c1ccccc1 34a_100000210776_100011933945 [1,1,0,0,0,0|1,0,0]=3 6687 B15R1.138 O[C@H](COCCCCCl)c1ccccc1 7a_100000210776_100011933945 [1,1,0,0,0,0|1,0,0]=3 6688 B15R1.138 O[C@H](COCCCCF)c1ccccc1 34a_100011995726_100011933945 [1,1,0,0,0,0|1,0,0]=3 6689 B15R1.138 O[C@H](COCCCCF)c1ccccc1 7a_100011995726_100011933945 [1,1,0,0,0,0|1,0,0]=3 6690 B15R1.138 O[C@H](COCCCCI)c1ccccc1 34a_200012148704_100011933945 [1,1,0,0,0,0|1,0,0]=3 6691 B15R1.138 O[C@H](CSCCCCF)c1ccccc1 62a_100000729493_100011933945 [1,1,0,0,0,0|1,0,0]=3 6692 B15R1.138 O[C@H](CSCCCCF)c1ccccc1 62a_100011933945_100000729493 [1,1,0,0,0,0|1,0,0]=3 6693 B15R1.497 C=C(C)CCNCC(C)c1ccccc1 2230a_100000701038_100000730704 [1,1,0,0,0,0|1,0,1]=4 6694 B15R1.497 C=C(C)CCNCC(C)c1ccccc1 34a_100000701038_100000730704 [1,1,0,0,0,0|1,0,1]=4 6695 B15R1.497 C=C(C)CCNCC(O)c1ccccc1 2230a_100000210709_100000730704 [1,1,0,0,0,0|0,0,1]=3 6696 B15R1.497 C=C(C)CCNCC(O)c1ccccn1 2230a_100000691469_100000730704 [1,1,0,0,0,0|1,0,1]=4 6697 B15R1.497 C=C(C)CCNCC(O)c1cccnc1 2230a_100020605170_100000730704 [1,1,0,0,0,0|1,0,1]=4 6698 B15R1.497 C=C(C)CCOCC(O)c1ccccc1 34a_100000764851_100000185958 [1,1,0,0,0,0|1,0,1]=4 6699 B15R1.497 C=C(C)CCOC[C@@H](O)c1ccccc1 34a_100000764851_100011933945 [1,1,0,0,0,0|1,0,1]=4 6700 B15R1.497 C=C(C)CCSCC(O)c1ccccc1 62a_100000185958_100000730704 [1,1,0,0,0,0|1,0,1]=4 6701 B15R1.497 C=C(C)CCSCC(O)c1ccccc1 62a_100000730704_100000185958 [1,1,0,0,0,0|1,0,1]=4 6702 B15R1.497 C=C(C)CCSC[C@@H](O)c1ccccc1 62a_100000730704_100011933945 [1,1,0,0,0,0|1,0,1]=4 6703 B15R1.497 C=C(C)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000730704 [1,1,0,0,0,0|1,0,1]=4 6704 B15R1.497 CC(=CCNCC(O)c1ccccc1)C 2230a_100000210709_100000761012 [1,1,0,0,0,0|0,0,2]=4 6705 B15R1.497 CC(=CCNCC(O)c1ccccc1)C 34a_100000718196_100000185958 [1,1,0,0,0,0|0,0,2]=4 6706 B15R1.497 CC(=CCNC[C@@H](O)c1ccccc1)C 34a_100000718196_100011933945 [1,1,0,0,0,0|0,0,2]=4 6707 B15R1.497 CC(=O)CCOCC(O)c1ccccc1 34a_100000759926_100000185958 [1,1,0,0,0,0|1,0,1]=4 6708 B15R1.497 CC(=O)CCOCC(O)c1ccccc1 7a_100000759926_100000185958 [1,1,0,0,0,0|1,0,1]=4 6709 B15R1.497 CC(=O)CCOC[C@@H](O)c1ccccc1 34a_100000759926_100011933945 [1,1,0,0,0,0|1,0,1]=4 6710 B15R1.497 CC(=O)CCOC[C@@H](O)c1ccccc1 7a_100000759926_100011933945 [1,1,0,0,0,0|1,0,1]=4 6711 B15R1.497 CC(=O)CCSCC(O)c1ccccc1 62a_100000053229_100000185958 [1,1,0,0,0,0|1,0,1]=4 6712 B15R1.497 CC(=O)CCSCC(O)c1ccccc1 62a_100000185958_100000053229 [1,1,0,0,0,0|1,0,1]=4 6713 B15R1.497 CC(=O)CCSC[C@@H](O)c1ccccc1 62a_100000053229_100011933945 [1,1,0,0,0,0|1,0,1]=4 6714 B15R1.497 CC(=O)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000053229 [1,1,0,0,0,0|1,0,1]=4 6715 B15R1.497 CC(Br)CCOCC(C)c1ccccc1 34a_100009893172_100000756946 [1,1,0,0,0,0|2,0,0]=4 6716 B15R1.497 CC(Br)CCOCC(O)c1ccccc1 34a_100009893172_100000185958 [1,1,0,0,0,0|1,0,0]=3 6717 B15R1.497 CC(Br)CCOC[C@@H](O)c1ccccc1 34a_100009893172_100011933945 [1,1,0,0,0,0|1,0,0]=3 6718 B15R1.497 CC(Br)COCC[C@@H](O)c1ccccc1 34a_100012180447_100000729684 [1,1,0,0,0,0|2,0,0]=4 6719 B15R1.497 CC(C)CCNCC(C)c1ccccc1 2230a_100000701038_100000210312 [1,1,0,0,0,0|1,0,0]=3 6720 B15R1.497 CC(C)CCNCC(C)c1ccccc1 269862a_100000701038_100000185833 [1,1,0,0,0,0|1,0,0]=3 6721 B15R1.497 CC(C)CCNCC(C)c1ccccc1 270004a_100000210545_100000212034 [1,1,0,0,0,0|1,0,0]=3 6722 B15R1.497 CC(C)CCNCC(C)c1ccccc1 34a_100000701038_100000210312 [1,1,0,0,0,0|1,0,0]=3 6723 B15R1.497 CC(C)CCNCC(O)c1ccccc1 2230a_100000210709_100000210312 [1,1,0,0,0,0|0,0,0]=2 6724 B15R1.497 CC(C)CCNCC(O)c1ccccc1 269862a_100000210709_100000185833 [1,1,0,0,0,0|0,0,0]=2 6725 B15R1.497 CC(C)CCNCC(O)c1ccccn1 2230a_100000691469_100000210312 [1,1,0,0,0,0|1,0,0]=3 6726 B15R1.497 CC(C)CCNCC(O)c1ccccn1 269862a_100000691469_100000185833 [1,1,0,0,0,0|1,0,0]=3 6727 B15R1.497 CC(C)CCNCC(O)c1cccnc1 2230a_100020605170_100000210312 [1,1,0,0,0,0|1,0,0]=3 6728 B15R1.497 CC(C)CCNCC(O)c1cccnc1 269862a_100020605170_100000185833 [1,1,0,0,0,0|1,0,0]=3 6729 B15R1.497 CC(C)CCOCC(C)c1ccccc1 34a_100000210254_100000756946 [1,1,0,0,0,0|2,0,0]=4 6730 B15R1.497 CC(C)CCOCC(C)c1ccccc1 34a_100011215166_100000210312 [1,1,0,0,0,0|2,0,0]=4 6731 B15R1.497 CC(C)CCOCC(C)c1ccccc1 7a_100000210254_100000756946 [1,1,0,0,0,0|2,0,0]=4 6732 B15R1.497 CC(C)CCOCC(C)c1ccccc1 7a_100011215166_100000210626 [1,1,0,0,0,0|2,0,0]=4 6733 B15R1.497 CC(C)CCOCC(O)c1ccccc1 34a_100000210254_100000185958 [1,1,0,0,0,0|1,0,0]=3 6734 B15R1.497 CC(C)CCOCC(O)c1ccccc1 7a_100000210254_100000185958 [1,1,0,0,0,0|1,0,0]=3 6735 B15R1.497 CC(C)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210312 [1,1,0,0,0,0|2,0,0]=4 6736 B15R1.497 CC(C)CCOC[C@@H](O)c1ccccc1 34a_100000210254_100011933945 [1,1,0,0,0,0|1,0,0]=3 6737 B15R1.497 CC(C)CCOC[C@@H](O)c1ccccc1 7a_100000210254_100011933945 [1,1,0,0,0,0|1,0,0]=3 6738 B15R1.497 CC(C)CCSCC(C)c1ccccc1 62a_100000210312_100000756946 [1,1,0,0,0,0|2,0,0]=4 6739 B15R1.497 CC(C)CCSCC(C)c1ccccc1 62a_100000756946_100000210312 [1,1,0,0,0,0|2,0,0]=4 6740 B15R1.497 CC(C)CCSCC(O)c1ccccc1 62a_100000185958_100000210312 [1,1,0,0,0,0|1,0,0]=3 6741 B15R1.497 CC(C)CCSCC(O)c1ccccc1 62a_100000210312_100000185958 [1,1,0,0,0,0|1,0,0]=3 6742 B15R1.497 CC(C)CCSC[C@@H](O)c1ccccc1 62a_100000210312_100011933945 [1,1,0,0,0,0|1,0,0]=3 6743 B15R1.497 CC(C)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210312 [1,1,0,0,0,0|1,0,0]=3 6744 B15R1.497 CC(C)CNCCC(O)c1ccccc1 2230a_100000763605_100000210760 [1,1,0,0,0,0|2,0,0]=4 6745 B15R1.497 CC(C)CNCCC(O)c1ccccc1 270004a_100000763605_100000210432 [1,1,0,0,0,0|2,0,0]=4 6746 B15R1.497 CC(C)CNCC[C@@H](O)c1ccccc1 2230a_100000210953_100000729684 [1,1,0,0,0,0|2,0,0]=4 6747 B15R1.497 CC(C)CNCC[C@@H](O)c1ccccc1 34a_100000210953_100000729684 [1,1,0,0,0,0|2,0,0]=4 6748 B15R1.497 CC(C)COCC[C@@H](O)c1ccccc1 34a_100000210257_100000729684 [1,1,0,0,0,0|2,0,0]=4 6749 B15R1.497 CC(C)CSCC[C@@H](O)c1ccccc1 62a_100000210624_100000729684 [1,1,0,0,0,0|2,0,0]=4 6750 B15R1.497 CC(C)CSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210760 [1,1,0,0,0,0|2,0,0]=4 6751 B15R1.497 CC(C)OCNCC(C)c1ccccc1 2230a_100000701038_100000709892 [1,1,0,0,0,0|2,0,0]=4 6752 B15R1.497 CC(C)OCNCC(C)c1ccccc1 34a_100000701038_100000709892 [1,1,0,0,0,0|2,0,0]=4 6753 B15R1.497 CC(C)OCNCC(O)c1ccccc1 2230a_100000210709_100000709892 [1,1,0,0,0,0|1,0,0]=3 6754 B15R1.497 CC(C)OCNCC(O)c1ccccn1 2230a_100000691469_100000709892 [1,1,0,0,0,0|2,0,0]=4 6755 B15R1.497 CC(C)OCNCC(O)c1cccnc1 2230a_100020605170_100000709892 [1,1,0,0,0,0|2,0,0]=4 6756 B15R1.497 CC(C)OCSCC(O)c1ccccc1 62a_100000185958_100000709892 [1,1,0,0,0,0|2,0,0]=4 6757 B15R1.497 CC(C)OCSCC(O)c1ccccc1 62a_100000709892_100000185958 [1,1,0,0,0,0|2,0,0]=4 6758 B15R1.497 CC(C)OCSC[C@@H](O)c1ccccc1 62a_100000709892_100011933945 [1,1,0,0,0,0|2,0,0]=4 6759 B15R1.497 CC(C)OCSC[C@@H](O)c1ccccc1 62a_100011933945_100000709892 [1,1,0,0,0,0|2,0,0]=4 6760 B15R1.497 CC(CNCCN(C)C)c1ccccc1 270004a_100000210585_100000212034 [1,1,0,0,0,0|2,0,0]=4 6761 B15R1.497 CC(COCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000756946 [1,1,0,0,0,0|2,0,0]=4 6762 B15R1.497 CC(F)COCC[C@@H](O)c1ccccc1 34a_100015925927_100000729684 [1,1,0,0,0,0|2,0,0]=4 6763 B15R1.497 CC(O)CCNCC(C)c1ccccc1 2230a_100000701038_100012276601 [1,1,0,0,0,0|1,0,0]=3 6764 B15R1.497 CC(O)CCNCC(C)c1ccccc1 2230a_200000755665_100000756946 [1,1,0,0,0,0|1,0,0]=3 6765 B15R1.497 CC(O)CCNCC(C)c1ccccc1 270004a_200000755665_100000212034 [1,1,0,0,0,0|1,0,0]=3 6766 B15R1.497 CC(O)CCNCC(C)c1ccccc1 34a_100000701038_100012276601 [1,1,0,0,0,0|1,0,0]=3 6767 B15R1.497 CC(O)CCNCC(O)c1ccccc1 2230a_100000210709_100012276601 [1,1,0,0,0,0|0,0,0]=2 6768 B15R1.497 CC(O)CCNCC(O)c1ccccc1 2230a_200000755665_100000185958 [1,1,0,0,0,0|0,0,0]=2 6769 B15R1.497 CC(O)CCNCC(O)c1ccccn1 2230a_100000691469_100012276601 [1,1,0,0,0,0|1,0,0]=3 6770 B15R1.497 CC(O)CCNCC(O)c1cccnc1 2230a_100020605170_100012276601 [1,1,0,0,0,0|1,0,0]=3 6771 B15R1.497 CC(O)CCNC[C@@H](O)c1ccccc1 2230a_200000755665_100011933945 [1,1,0,0,0,0|0,0,0]=2 6772 B15R1.497 CC(O)CCOCC(C)c1ccccc1 34a_100011215166_100012276601 [1,1,0,0,0,0|2,0,0]=4 6773 B15R1.497 CC(O)CCOCC(C)c1ccccc1 7a_100011215166_100012276601 [1,1,0,0,0,0|2,0,0]=4 6774 B15R1.497 CC(O)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100012276601 [1,1,0,0,0,0|2,0,0]=4 6775 B15R1.497 CC(O)CCSCC(C)c1ccccc1 62a_100000756946_100012276601 [1,1,0,0,0,0|2,0,0]=4 6776 B15R1.497 CC(O)CCSCC(C)c1ccccc1 62a_100012276601_100000756946 [1,1,0,0,0,0|2,0,0]=4 6777 B15R1.497 CC(O)CCSCC(O)c1ccccc1 62a_100000185958_100012276601 [1,1,0,0,0,0|1,0,0]=3 6778 B15R1.497 CC(O)CCSCC(O)c1ccccc1 62a_100012276601_100000185958 [1,1,0,0,0,0|1,0,0]=3 6779 B15R1.497 CC(O)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100012276601 [1,1,0,0,0,0|1,0,0]=3 6780 B15R1.497 CC(O)CCSC[C@@H](O)c1ccccc1 62a_100012276601_100011933945 [1,1,0,0,0,0|1,0,0]=3 6781 B15R1.497 CC(O)CNCCC(O)c1ccccc1 2230a_100000763605_100011218427 [1,1,0,0,0,0|2,0,0]=4 6782 B15R1.497 CC(O)CNCC[C@@H](O)c1ccccc1 2230a_100000210904_100000729684 [1,1,0,0,0,0|2,0,0]=4 6783 B15R1.497 CC(O)CNCC[C@@H](O)c1ccccc1 34a_100000210904_100000729684 [1,1,0,0,0,0|2,0,0]=4 6784 B15R1.497 CC(O)CSCC[C@@H](O)c1ccccc1 62a_100000729684_100011218427 [1,1,0,0,0,0|2,0,0]=4 6785 B15R1.497 CC(O)CSCC[C@@H](O)c1ccccc1 62a_100011218427_100000729684 [1,1,0,0,0,0|2,0,0]=4 6786 B15R1.497 CN(C)CCSCC(O)c1ccccc1 62a_100000185958_100000755713 [1,1,0,0,0,0|2,0,0]=4 6787 B15R1.497 CN(C)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000755713 [1,1,0,0,0,0|2,0,0]=4 6788 B15R1.497 C[C@@H](Cl)COCC[C@@H](O)c1ccccc1 34a_100016084084_100000729684 [1,1,0,0,0,0|2,0,0]=4 6789 B15R1.497 C[C@@H](N)CCOCC(O)c1ccccc1 34a_100000706166_100000185958 [1,1,0,0,0,0|1,0,0]=3 6790 B15R1.497 C[C@@H](N)CCOC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [1,1,0,0,0,0|1,0,0]=3 6791 B15R1.497 C[C@@H](N)COCC[C@@H](O)c1ccccc1 34a_100000737577_100000729684 [1,1,0,0,0,0|2,0,0]=4 6792 B15R1.497 C[C@@H](O)CNCCC(O)c1ccccc1 2230a_100000763605_100009817552 [1,1,0,0,0,0|2,0,0]=4 6793 B15R1.497 C[C@@H](O)CSCC[C@@H](O)c1ccccc1 62a_100000729684_100009817552 [1,1,0,0,0,0|2,0,0]=4 6794 B15R1.497 C[C@@H](O)CSCC[C@@H](O)c1ccccc1 62a_100009817552_100000729684 [1,1,0,0,0,0|2,0,0]=4 6795 B15R1.497 NC(=O)CCNCC(O)c1ccccc1 2230a_100000210709_100000744528 [1,1,0,0,0,0|1,0,1]=4 6796 B15R1.497 OC(COCCC(F)F)c1ccccc1 34a_100103093639_100000185958 [1,1,0,0,0,0|2,0,0]=4 6797 B15R1.497 O[C@H](COCCC(F)F)c1ccccc1 34a_100103093639_100011933945 [1,1,0,0,0,0|2,0,0]=4 6798 B15R1.536 C#CCCNCC(C)(O)c1ccccc1 2230a_100011660926_100000688953 [1,1,0,0,0,0|0,0,2]=4 6799 B15R1.536 C=CCCNCC(C)(O)c1ccccc1 2230a_100011660926_100000754431 [1,1,0,0,0,0|0,0,2]=4 6800 B15R1.536 CC#CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000748600 [1,1,0,0,0,0|0,0,2]=4 6801 B15R1.536 CC(C)(CNCCCF)c1ccccc1 2230a_100011211644_100011934791 [1,1,0,0,0,0|2,0,0]=4 6802 B15R1.536 CC(C)(CNCCCO)c1ccccc1 2230a_100011211644_100000230001 [1,1,0,0,0,0|2,0,0]=4 6803 B15R1.536 CC(O)(CNCCC#N)c1ccccc1 2230a_100011660926_100011215226 [1,1,0,0,0,0|1,0,1]=4 6804 B15R1.536 CC(O)(CNCCCF)c1ccccc1 2230a_100011660926_100011934791 [1,1,0,0,0,0|1,0,0]=3 6805 B15R1.536 CC(O)(CNCCCO)c1ccccc1 2230a_100011660926_100000230001 [1,1,0,0,0,0|1,0,0]=3 6806 B15R1.536 CC=CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000070051 [1,1,0,0,0,0|0,0,2]=4 6807 B15R1.536 CCCCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210211 [1,1,0,0,0,0|1,0,0]=3 6808 B15R1.536 CCCCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210211 [1,1,0,0,0,0|0,0,0]=2 6809 B15R1.536 CCCCNCC(F)(F)c1ccccc1 34a_100000717977_100000210210 [1,1,0,0,0,0|1,0,0]=3 6810 B15R1.536 CCCCNC[Si](C)(C)c1ccccc1 2230a_100000102301_100000038972 [1,1,0,0,0,0|1,1,0]=4 6811 B15R1.536 CCCCNC[Si](C)(C)c1ccccc1 7a_106832991798_100000038972 [1,1,0,0,0,0|1,1,0]=4 6812 B15R1.536 CCCCOCC(C)(C)c1ccccc1 7a_100000747608_100000210211 [1,1,0,0,0,0|2,0,0]=4 6813 B15R1.536 CCCCOCC(F)(F)c1ccccc1 34a_100000210227_100009875531 [1,1,0,0,0,0|2,0,0]=4 6814 B15R1.536 CCCCSCC(C)(C)c1ccccc1 62a_100000210211_100000703224 [1,1,0,0,0,0|2,0,0]=4 6815 B15R1.536 CCCCSCC(C)(C)c1ccccc1 62a_100000703224_100000210210 [1,1,0,0,0,0|2,0,0]=4 6816 B15R1.536 CCCCSCC(F)(F)c1ccccc1 62a_100000210211_100009875531 [1,1,0,0,0,0|2,0,0]=4 6817 B15R1.536 CCCCSCC(F)(F)c1ccccc1 62a_100009875531_100000210210 [1,1,0,0,0,0|2,0,0]=4 6818 B15R1.536 COCCNCC(C)(C)c1ccccc1 2230a_100011211644_100011201679 [1,1,0,0,0,0|2,0,0]=4 6819 B15R1.536 COCCNCC(C)(O)c1ccccc1 2230a_100011660926_100011201679 [1,1,0,0,0,0|1,0,0]=3 6820 B15R1.536 COCCNCC(F)(F)c1ccccc1 34a_100000717977_100011201679 [1,1,0,0,0,0|2,0,0]=4 6821 B15R1.536 CSCCNCC(C)(C)c1ccccc1 2230a_100011211644_100000751147 [1,1,0,0,0,0|2,0,0]=4 6822 B15R1.536 CSCCNCC(C)(O)c1ccccc1 2230a_100011660926_100000751147 [1,1,0,0,0,0|1,0,0]=3 6823 B15R1.536 CSCCNCC(F)(F)c1ccccc1 34a_100000717977_100000212216 [1,1,0,0,0,0|2,0,0]=4 6824 B15R1.536 FCCCNCC(F)(F)c1ccccc1 34a_100000717977_100011934791 [1,1,0,0,0,0|2,0,0]=4 6825 B15R1.536 FCCCNCC(F)(F)c1ccccc1 34a_100015189416_100009875531 [1,1,0,0,0,0|2,0,0]=4 6826 B15R1.536 OCCCNCC(F)(F)c1ccccc1 34a_100000717977_100000230001 [1,1,0,0,0,0|2,0,0]=4 6827 B15R1.959 C=CC(O)CNCC(O)c1ccccc1 2230a_100000210709_100000730141 [1,1,0,0,0,0|0,0,2]=4 6828 B15R1.959 CC(CN)COCC(O)c1ccccc1 34a_100000744482_100000185958 [1,1,0,0,0,0|2,0,0]=4 6829 B15R1.959 CC(CN)COC[C@@H](O)c1ccccc1 34a_100000744482_100011933945 [1,1,0,0,0,0|2,0,0]=4 6830 B15R1.959 CC(CNCC(O)CO)c1ccccc1 2230a_100000701038_100011219619 [1,1,0,0,0,0|2,0,0]=4 6831 B15R1.959 CC(CNCC(O)CO)c1ccccc1 34a_100000701038_100011219619 [1,1,0,0,0,0|2,0,0]=4 6832 B15R1.959 CC(CNC[C@@H](C)CO)c1ccccc1 2230a_100000701038_100000059175 [1,1,0,0,0,0|2,0,0]=4 6833 B15R1.959 CC(CNC[C@@H](C)CO)c1ccccc1 34a_100000701038_100000059175 [1,1,0,0,0,0|2,0,0]=4 6834 B15R1.959 CC(CNC[C@@H](F)CO)c1ccccc1 270004a_100015665980_100000212034 [1,1,0,0,0,0|2,0,0]=4 6835 B15R1.959 CC(CNC[C@@H](F)CO)c1ccccc1 34a_100015665980_100000756946 [1,1,0,0,0,0|2,0,0]=4 6836 B15R1.959 CC(CNC[C@@H](O)CF)c1ccccc1 2230a_100000701038_100015614560 [1,1,0,0,0,0|2,0,0]=4 6837 B15R1.959 CC(CNC[C@@H](O)CF)c1ccccc1 34a_100000701038_100015614560 [1,1,0,0,0,0|2,0,0]=4 6838 B15R1.959 CC(CNC[C@@H](O)CO)c1ccccc1 2230a_100000701038_100009815848 [1,1,0,0,0,0|2,0,0]=4 6839 B15R1.959 CC(CNC[C@@H](O)CO)c1ccccc1 34a_100000701038_100009815848 [1,1,0,0,0,0|2,0,0]=4 6840 B15R1.959 CC(CNC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000756946 [1,1,0,0,0,0|2,0,0]=4 6841 B15R1.959 CC(CO)CNCC(C)c1ccccc1 34a_100000744482_100000756946 [1,1,0,0,0,0|2,0,0]=4 6842 B15R1.959 CC(CO)CNCC(O)c1ccccc1 34a_100000744482_100000185958 [1,1,0,0,0,0|1,0,0]=3 6843 B15R1.959 CC(CO)CNC[C@@H](O)c1ccccc1 34a_100000744482_100011933945 [1,1,0,0,0,0|1,0,0]=3 6844 B15R1.959 CCC(=O)COCC(O)c1ccccc1 34a_100000725409_100000185958 [1,1,0,0,0,0|1,0,1]=4 6845 B15R1.959 CCC(=O)COC[C@@H](O)c1ccccc1 34a_100000725409_100011933945 [1,1,0,0,0,0|1,0,1]=4 6846 B15R1.959 CCC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000747405 [1,1,0,0,0,0|1,0,1]=4 6847 B15R1.959 CCC(=O)CSCC(O)c1ccccc1 62a_100000747405_100000185958 [1,1,0,0,0,0|1,0,1]=4 6848 B15R1.959 CCC(=O)CSC[C@@H](O)c1ccccc1 62a_100000747405_100011933945 [1,1,0,0,0,0|1,0,1]=4 6849 B15R1.959 CCC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000747405 [1,1,0,0,0,0|1,0,1]=4 6850 B15R1.959 CCC(C)CNCC(C)c1ccccc1 2230a_100000701038_100000748023 [1,1,0,0,0,0|1,0,0]=3 6851 B15R1.959 CCC(C)CNCC(C)c1ccccc1 2230a_100020588543_100000756946 [1,1,0,0,0,0|1,0,0]=3 6852 B15R1.959 CCC(C)CNCC(C)c1ccccc1 270004a_100000701038_100000243153 [1,1,0,0,0,0|1,0,0]=3 6853 B15R1.959 CCC(C)CNCC(C)c1ccccc1 270004a_100020588543_100000212034 [1,1,0,0,0,0|1,0,0]=3 6854 B15R1.959 CCC(C)CNCC(C)c1ccccc1 34a_100000701038_100000748023 [1,1,0,0,0,0|1,0,0]=3 6855 B15R1.959 CCC(C)CNCC(O)c1ccccc1 2230a_100000210709_100000748023 [1,1,0,0,0,0|0,0,0]=2 6856 B15R1.959 CCC(C)CNCC(O)c1ccccc1 2230a_100020588543_100000185958 [1,1,0,0,0,0|0,0,0]=2 6857 B15R1.959 CCC(C)CNCC(O)c1ccccc1 270004a_100000210709_100000243153 [1,1,0,0,0,0|0,0,0]=2 6858 B15R1.959 CCC(C)CNCC(O)c1ccccn1 2230a_100000691469_100000748023 [1,1,0,0,0,0|1,0,0]=3 6859 B15R1.959 CCC(C)CNCC(O)c1ccccn1 270004a_100000691469_100000243153 [1,1,0,0,0,0|1,0,0]=3 6860 B15R1.959 CCC(C)CNCC(O)c1cccnc1 2230a_100020605170_100000748023 [1,1,0,0,0,0|1,0,0]=3 6861 B15R1.959 CCC(C)CNCC(O)c1cccnc1 270004a_100020605170_100000243153 [1,1,0,0,0,0|1,0,0]=3 6862 B15R1.959 CCC(C)CNC[C@@H](O)c1ccccc1 2230a_100020588543_100011933945 [1,1,0,0,0,0|0,0,0]=2 6863 B15R1.959 CCC(C)COCC(C)c1ccccc1 34a_100011215166_100000748023 [1,1,0,0,0,0|2,0,0]=4 6864 B15R1.959 CCC(C)COCC(C)c1ccccc1 7a_100011215166_100000748023 [1,1,0,0,0,0|2,0,0]=4 6865 B15R1.959 CCC(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000748023 [1,1,0,0,0,0|2,0,0]=4 6866 B15R1.959 CCC(C)CSCC(C)c1ccccc1 62a_100000748023_100000756946 [1,1,0,0,0,0|2,0,0]=4 6867 B15R1.959 CCC(C)CSCC(C)c1ccccc1 62a_100000756946_100000748023 [1,1,0,0,0,0|2,0,0]=4 6868 B15R1.959 CCC(C)CSCC(O)c1ccccc1 62a_100000185958_100000748023 [1,1,0,0,0,0|1,0,0]=3 6869 B15R1.959 CCC(C)CSCC(O)c1ccccc1 62a_100000748023_100000185958 [1,1,0,0,0,0|1,0,0]=3 6870 B15R1.959 CCC(C)CSC[C@@H](O)c1ccccc1 62a_100000748023_100011933945 [1,1,0,0,0,0|1,0,0]=3 6871 B15R1.959 CCC(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000748023 [1,1,0,0,0,0|1,0,0]=3 6872 B15R1.959 CCC(C)NCCC(O)c1ccccc1 2230a_100000763605_100000758301 [1,1,0,0,0,0|2,0,0]=4 6873 B15R1.959 CCC(C)NCC[C@@H](O)c1ccccc1 2230a_100000209981_100000729684 [1,1,0,0,0,0|2,0,0]=4 6874 B15R1.959 CCC(C)OCC[C@@H](O)c1ccccc1 7a_100000210228_100000729684 [1,1,0,0,0,0|2,0,0]=4 6875 B15R1.959 CCC(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000758301 [1,1,0,0,0,0|2,0,0]=4 6876 B15R1.959 CCC(C)SCC[C@@H](O)c1ccccc1 62a_100000758301_100000729684 [1,1,0,0,0,0|2,0,0]=4 6877 B15R1.959 CCC(O)CNCC(C)c1ccccc1 2230a_100000701038_100011218378 [1,1,0,0,0,0|1,0,0]=3 6878 B15R1.959 CCC(O)CNCC(C)c1ccccc1 2230a_100011218483_100000756946 [1,1,0,0,0,0|1,0,0]=3 6879 B15R1.959 CCC(O)CNCC(C)c1ccccc1 270004a_100011218483_100000212034 [1,1,0,0,0,0|1,0,0]=3 6880 B15R1.959 CCC(O)CNCC(C)c1ccccc1 34a_100000701038_100011218378 [1,1,0,0,0,0|1,0,0]=3 6881 B15R1.959 CCC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011218378 [1,1,0,0,0,0|0,0,0]=2 6882 B15R1.959 CCC(O)CNCC(O)c1ccccc1 2230a_100011218483_100000185958 [1,1,0,0,0,0|0,0,0]=2 6883 B15R1.959 CCC(O)CNCC(O)c1ccccn1 2230a_100000691469_100011218378 [1,1,0,0,0,0|1,0,0]=3 6884 B15R1.959 CCC(O)CNCC(O)c1cccnc1 2230a_100020605170_100011218378 [1,1,0,0,0,0|1,0,0]=3 6885 B15R1.959 CCC(O)CNC[C@@H](O)c1ccccc1 2230a_100011218483_100011933945 [1,1,0,0,0,0|0,0,0]=2 6886 B15R1.959 CCC(O)COCC(C)c1ccccc1 34a_100011215166_100011218378 [1,1,0,0,0,0|2,0,0]=4 6887 B15R1.959 CCC(O)COCC(C)c1ccccc1 7a_100011215166_100011218378 [1,1,0,0,0,0|2,0,0]=4 6888 B15R1.959 CCC(O)COC[C@@H](N)c1ccccc1 34a_100000751927_100011218378 [1,1,0,0,0,0|2,0,0]=4 6889 B15R1.959 CCC(O)CSCC(C)c1ccccc1 62a_100000756946_100011218378 [1,1,0,0,0,0|2,0,0]=4 6890 B15R1.959 CCC(O)CSCC(C)c1ccccc1 62a_100011218378_100000756946 [1,1,0,0,0,0|2,0,0]=4 6891 B15R1.959 CCC(O)CSCC(O)c1ccccc1 62a_100000185958_100011218378 [1,1,0,0,0,0|1,0,0]=3 6892 B15R1.959 CCC(O)CSCC(O)c1ccccc1 62a_100011218378_100000185958 [1,1,0,0,0,0|1,0,0]=3 6893 B15R1.959 CCC(O)CSC[C@@H](O)c1ccccc1 62a_100011218378_100011933945 [1,1,0,0,0,0|1,0,0]=3 6894 B15R1.959 CCC(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011218378 [1,1,0,0,0,0|1,0,0]=3 6895 B15R1.959 CC[C@H](C)CNCC(C)c1ccccc1 2230a_100000701038_100009816398 [1,1,0,0,0,0|1,0,0]=3 6896 B15R1.959 CC[C@H](C)CNCC(C)c1ccccc1 34a_100000701038_100009816398 [1,1,0,0,0,0|1,0,0]=3 6897 B15R1.959 CC[C@H](C)CNCC(O)c1ccccc1 2230a_100000210709_100009816398 [1,1,0,0,0,0|0,0,0]=2 6898 B15R1.959 CC[C@H](C)CNCC(O)c1ccccn1 2230a_100000691469_100009816398 [1,1,0,0,0,0|1,0,0]=3 6899 B15R1.959 CC[C@H](C)CNCC(O)c1cccnc1 2230a_100020605170_100009816398 [1,1,0,0,0,0|1,0,0]=3 6900 B15R1.959 CC[C@H](C)COCC(C)c1ccccc1 34a_100011215166_100009816398 [1,1,0,0,0,0|2,0,0]=4 6901 B15R1.959 CC[C@H](C)COCC(C)c1ccccc1 7a_100009816381_100000756946 [1,1,0,0,0,0|2,0,0]=4 6902 B15R1.959 CC[C@H](C)COCC(C)c1ccccc1 7a_100011215166_100009816398 [1,1,0,0,0,0|2,0,0]=4 6903 B15R1.959 CC[C@H](C)COCC(O)c1ccccc1 7a_100009816381_100000185958 [1,1,0,0,0,0|1,0,0]=3 6904 B15R1.959 CC[C@H](C)COC[C@@H](N)c1ccccc1 34a_100000751927_100009816398 [1,1,0,0,0,0|2,0,0]=4 6905 B15R1.959 CC[C@H](C)COC[C@@H](O)c1ccccc1 7a_100009816381_100011933945 [1,1,0,0,0,0|1,0,0]=3 6906 B15R1.959 CC[C@H](C)CSCC(C)c1ccccc1 62a_100000756946_100009816398 [1,1,0,0,0,0|2,0,0]=4 6907 B15R1.959 CC[C@H](C)CSCC(C)c1ccccc1 62a_100009816398_100000756946 [1,1,0,0,0,0|2,0,0]=4 6908 B15R1.959 CC[C@H](C)CSCC(O)c1ccccc1 62a_100000185958_100009816398 [1,1,0,0,0,0|1,0,0]=3 6909 B15R1.959 CC[C@H](C)CSCC(O)c1ccccc1 62a_100009816398_100000185958 [1,1,0,0,0,0|1,0,0]=3 6910 B15R1.959 CC[C@H](C)CSC[C@@H](O)c1ccccc1 62a_100009816398_100011933945 [1,1,0,0,0,0|1,0,0]=3 6911 B15R1.959 CC[C@H](C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009816398 [1,1,0,0,0,0|1,0,0]=3 6912 B15R1.959 CNC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000183359 [1,1,0,0,0,0|1,0,1]=4 6913 B15R1.959 CNC(=O)CNCC(O)c1ccccc1 2230a_100000693194_100000185958 [1,1,0,0,0,0|1,0,1]=4 6914 B15R1.959 CNC(=O)CNC[C@@H](O)c1ccccc1 2230a_100000693194_100011933945 [1,1,0,0,0,0|1,0,1]=4 6915 B15R1.959 COC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000747449 [1,1,0,0,0,0|1,0,1]=4 6916 B15R1.959 COC(C)COCC(O)c1ccccc1 34a_100000690652_100000185958 [1,1,0,0,0,0|2,0,0]=4 6917 B15R1.959 COC(C)COC[C@@H](O)c1ccccc1 34a_100000690652_100011933945 [1,1,0,0,0,0|2,0,0]=4 6918 B15R1.959 CO[C@H](C)CNCC(C)c1ccccc1 2230a_100020591295_100000756946 [1,1,0,0,0,0|2,0,0]=4 6919 B15R1.959 CO[C@H](C)CNCC(C)c1ccccc1 270004a_100020591295_100000212034 [1,1,0,0,0,0|2,0,0]=4 6920 B15R1.959 CO[C@H](C)CNCC(O)c1ccccc1 2230a_100020591295_100000185958 [1,1,0,0,0,0|1,0,0]=3 6921 B15R1.959 CO[C@H](C)CNC[C@@H](O)c1ccccc1 2230a_100020591295_100011933945 [1,1,0,0,0,0|1,0,0]=3 6922 B15R1.959 C[C@@H](CO)CNCC(O)c1ccccc1 2230a_100000210709_100000059175 [1,1,0,0,0,0|1,0,0]=3 6923 B15R1.959 C[C@@H](CO)CNCC(O)c1ccccn1 2230a_100000691469_100000059175 [1,1,0,0,0,0|2,0,0]=4 6924 B15R1.959 C[C@@H](CO)CNCC(O)c1cccnc1 2230a_100020605170_100000059175 [1,1,0,0,0,0|2,0,0]=4 6925 B15R1.959 C[C@@H](CO)CSCC(O)c1ccccc1 62a_100000059175_100000185958 [1,1,0,0,0,0|2,0,0]=4 6926 B15R1.959 C[C@@H](CO)CSCC(O)c1ccccc1 62a_100000185958_100000059175 [1,1,0,0,0,0|2,0,0]=4 6927 B15R1.959 C[C@@H](CO)CSC[C@@H](O)c1ccccc1 62a_100000059175_100011933945 [1,1,0,0,0,0|2,0,0]=4 6928 B15R1.959 C[C@@H](CO)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000059175 [1,1,0,0,0,0|2,0,0]=4 6929 B15R1.959 NC[C@@H](F)COCC(O)c1ccccc1 34a_100015665980_100000185958 [1,1,0,0,0,0|2,0,0]=4 6930 B15R1.959 NC[C@@H](F)COC[C@@H](O)c1ccccc1 34a_100015665980_100011933945 [1,1,0,0,0,0|2,0,0]=4 6931 B15R1.959 OC(CNC[C@@H](O)CF)c1ccccc1 2230a_100000210709_100015614560 [1,1,0,0,0,0|1,0,0]=3 6932 B15R1.959 OC(CNC[C@@H](O)CF)c1ccccn1 2230a_100000691469_100015614560 [1,1,0,0,0,0|2,0,0]=4 6933 B15R1.959 OC(CNC[C@@H](O)CF)c1cccnc1 2230a_100020605170_100015614560 [1,1,0,0,0,0|2,0,0]=4 6934 B15R1.959 OC(COCC(Cl)CCl)c1ccccc1 34a_100000033668_100000185958 [1,1,0,0,0,0|2,0,0]=4 6935 B15R1.959 OC(CSC[C@@H](O)CF)c1ccccc1 62a_100000185958_100015614560 [1,1,0,0,0,0|2,0,0]=4 6936 B15R1.959 OC(CSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000185958 [1,1,0,0,0,0|2,0,0]=4 6937 B15R1.959 OCC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011219619 [1,1,0,0,0,0|1,0,0]=3 6938 B15R1.959 OCC(O)CNCC(O)c1ccccn1 2230a_100000691469_100011219619 [1,1,0,0,0,0|2,0,0]=4 6939 B15R1.959 OCC(O)CNCC(O)c1cccnc1 2230a_100020605170_100011219619 [1,1,0,0,0,0|2,0,0]=4 6940 B15R1.959 OCC(O)CSCC(O)c1ccccc1 62a_100000185958_100011219619 [1,1,0,0,0,0|2,0,0]=4 6941 B15R1.959 OCC(O)CSCC(O)c1ccccc1 62a_100011219619_100000185958 [1,1,0,0,0,0|2,0,0]=4 6942 B15R1.959 OCC(O)CSC[C@@H](O)c1ccccc1 62a_100011219619_100011933945 [1,1,0,0,0,0|2,0,0]=4 6943 B15R1.959 OCC(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011219619 [1,1,0,0,0,0|2,0,0]=4 6944 B15R1.959 OC[C@@H](O)CNCC(O)c1ccccc1 2230a_100020644852_100000185958 [1,1,0,0,0,0|1,0,0]=3 6945 B15R1.959 OC[C@@H](O)CNC[C@@H](O)c1ccccc1 2230a_100020644852_100011933945 [1,1,0,0,0,0|1,0,0]=3 6946 B15R1.959 OC[C@H](F)CNCC(O)c1ccccc1 34a_100015665980_100000185958 [1,1,0,0,0,0|1,0,0]=3 6947 B15R1.959 OC[C@H](F)CNC[C@@H](O)c1ccccc1 34a_100015665980_100011933945 [1,1,0,0,0,0|1,0,0]=3 6948 B15R1.959 OC[C@H](O)CNCC(O)c1ccccc1 2230a_100000210709_100009815848 [1,1,0,0,0,0|1,0,0]=3 6949 B15R1.959 OC[C@H](O)CNCC(O)c1ccccn1 2230a_100000691469_100009815848 [1,1,0,0,0,0|2,0,0]=4 6950 B15R1.959 OC[C@H](O)CNCC(O)c1cccnc1 2230a_100020605170_100009815848 [1,1,0,0,0,0|2,0,0]=4 6951 B15R1.959 OC[C@H](O)CSCC(O)c1ccccc1 62a_100000185958_100009815848 [1,1,0,0,0,0|2,0,0]=4 6952 B15R1.959 OC[C@H](O)CSCC(O)c1ccccc1 62a_100009815848_100000185958 [1,1,0,0,0,0|2,0,0]=4 6953 B15R1.959 OC[C@H](O)CSC[C@@H](O)c1ccccc1 62a_100009815848_100011933945 [1,1,0,0,0,0|2,0,0]=4 6954 B15R1.959 OC[C@H](O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009815848 [1,1,0,0,0,0|2,0,0]=4 6955 B15R1.959 O[C@@H](CF)CSC[C@@H](O)c1ccccc1 62a_100011933945_100015614560 [1,1,0,0,0,0|2,0,0]=4 6956 B15R1.959 O[C@@H](CF)CSC[C@@H](O)c1ccccc1 62a_100015614560_100011933945 [1,1,0,0,0,0|2,0,0]=4 6957 B15R1.959 O[C@H](COCC(Cl)CCl)c1ccccc1 34a_100000033668_100011933945 [1,1,0,0,0,0|2,0,0]=4 6958 B15R1.3965 C#CCCNCC(O)c1ccccc1Br 2230a_100011236429_100000688953 [1,1,0,0,0,0|0,0,2]=4 6959 B15R1.3965 C#CCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000688953 [1,1,0,0,0,0|0,0,2]=4 6960 B15R1.3965 C#CCCNCC(O)c1ccccc1Cl 34a_200000759403_100000688953 [1,1,0,0,0,0|0,0,2]=4 6961 B15R1.3965 C/C=C/CNCC(O)c1ccccc1Cl 34a_200000759403_100102629194 [1,1,0,0,0,0|0,0,2]=4 6962 B15R1.3965 C=CCCNCC(O)c1ccccc1Br 2230a_100011236429_100000754431 [1,1,0,0,0,0|0,0,2]=4 6963 B15R1.3965 C=CCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000754431 [1,1,0,0,0,0|0,0,2]=4 6964 B15R1.3965 C=CCCNCC(O)c1ccccc1Cl 34a_200000759403_100000754431 [1,1,0,0,0,0|0,0,2]=4 6965 B15R1.3965 CC#CCNCC(O)c1ccccc1Br 2230a_100011236429_100000748600 [1,1,0,0,0,0|0,0,2]=4 6966 B15R1.3965 CC#CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000748600 [1,1,0,0,0,0|0,0,2]=4 6967 B15R1.3965 CC#CCNCC(O)c1ccccc1Cl 34a_200000759403_100000748600 [1,1,0,0,0,0|0,0,2]=4 6968 B15R1.3965 CC=CCNCC(O)c1ccccc1Br 2230a_100011236429_100000070051 [1,1,0,0,0,0|0,0,2]=4 6969 B15R1.3965 CC=CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000070051 [1,1,0,0,0,0|0,0,2]=4 6970 B15R1.3965 CC=CCNCC(O)c1ccccc1Cl 34a_200000759403_100000070051 [1,1,0,0,0,0|0,0,2]=4 6971 B15R1.3965 CCCCNCC(=O)c1ccccc1C 2230a_100000102301_100000741374 [1,1,0,0,0,0|0,0,2]=4 6972 B15R1.3965 CCCCNCC(=O)c1ccccc1C 7a_106832991798_100000741374 [1,1,0,0,0,0|0,0,2]=4 6973 B15R1.3965 CCCCNCC(=O)c1ccccc1F 7a_106832991798_100000204681 [1,1,0,0,0,0|0,0,2]=4 6974 B15R1.3965 CCCCNCC(=O)c1ccccc1O 7a_106832991798_100000188908 [1,1,0,0,0,0|0,0,2]=4 6975 B15R1.3965 CCCCNCC(O)c1ccccc1Br 2230a_100011236429_100000210211 [1,1,0,0,0,0|0,0,0]=2 6976 B15R1.3965 CCCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210211 [1,1,0,0,0,0|0,0,0]=2 6977 B15R1.3965 CCCCNCC(O)c1ccccc1Cl 34a_200000759403_100000210210 [1,1,0,0,0,0|0,0,0]=2 6978 B15R1.3965 CCCCOCC(N)c1ccccc1Cl 34a_100138412506_100000210210 [1,1,0,0,0,0|2,0,0]=4 6979 B15R1.3965 CCCCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210210 [1,1,0,0,0,0|2,0,0]=4 6980 B15R1.3965 CCCCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210210 [1,1,0,0,0,0|2,0,0]=4 6981 B15R1.3965 COCCNCC(O)c1ccccc1Br 2230a_100011236429_100011201679 [1,1,0,0,0,0|1,0,0]=3 6982 B15R1.3965 COCCNCC(O)c1ccccc1Cl 2230a_200000759403_100011201679 [1,1,0,0,0,0|1,0,0]=3 6983 B15R1.3965 COCCNCC(O)c1ccccc1Cl 34a_200000759403_100011201679 [1,1,0,0,0,0|1,0,0]=3 6984 B15R1.3965 CSCCNCC(O)c1ccccc1Br 2230a_100011236429_100000751147 [1,1,0,0,0,0|1,0,0]=3 6985 B15R1.3965 CSCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000751147 [1,1,0,0,0,0|1,0,0]=3 6986 B15R1.3965 CSCCNCC(O)c1ccccc1Cl 34a_200000759403_100000212216 [1,1,0,0,0,0|1,0,0]=3 6987 B15R1.3965 N#CCCNCC(O)c1ccccc1Br 2230a_100011236429_100011215226 [1,1,0,0,0,0|1,0,1]=4 6988 B15R1.3965 N#CCCNCC(O)c1ccccc1Cl 2230a_200000759403_100011215226 [1,1,0,0,0,0|1,0,1]=4 6989 B15R1.3965 OC(CNCCCF)c1ccccc1Br 2230a_100011236429_100011934791 [1,1,0,0,0,0|1,0,0]=3 6990 B15R1.3965 OC(CNCCCF)c1ccccc1Cl 2230a_200000759403_100011934791 [1,1,0,0,0,0|1,0,0]=3 6991 B15R1.3965 OC(CNCCCF)c1ccccc1Cl 34a_200000759403_100011934791 [1,1,0,0,0,0|1,0,0]=3 6992 B15R1.3965 OCCCNCC(O)c1ccccc1Br 2230a_100011236429_100000230001 [1,1,0,0,0,0|1,0,0]=3 6993 B15R1.3965 OCCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000230001 [1,1,0,0,0,0|1,0,0]=3 6994 B15R1.3965 OCCCNCC(O)c1ccccc1Cl 34a_200000759403_100000230001 [1,1,0,0,0,0|1,0,0]=3 6995 B17R1.744 CC(CNCCCCF)Oc1ccc(cc1)F 2230a_200020586543_100000729493 [0,1,0,0,0,1|2,0,0]=4 6996 B17R1.744 CC(CNCCCCF)Oc1ccc(cc1)F 34a_200020586543_100000729493 [0,1,0,0,0,1|2,0,0]=4 6997 B17R1.744 CC(CNCCCCO)Oc1ccc(cc1)F 2230a_100000750430_100010228477 [0,1,0,0,0,1|2,0,0]=4 6998 B17R1.744 CC(CNCCCCO)Oc1ccc(cc1)F 2230a_200020586543_100000210776 [0,1,0,0,0,1|2,0,0]=4 6999 B17R1.744 CC(CNCCCCO)Oc1ccc(cc1)F 34a_100000750430_100010228477 [0,1,0,0,0,1|2,0,0]=4 7000 B17R1.744 CC(CNCCCCO)Oc1ccc(cc1)F 34a_200020586543_100011216708 [0,1,0,0,0,1|2,0,0]=4 7001 B17R1.744 CCCCCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011218727 [0,1,0,0,0,1|2,0,0]=4 7002 B17R1.744 CCCCCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210314 [0,1,0,0,0,1|2,0,0]=4 7003 B17R1.744 CCCCCCNC(C)Cc1ccc(cc1)O 270004a_100000210581_100011218180 [0,1,0,0,0,1|2,0,0]=4 7004 B17R1.744 CCCCCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210314 [0,1,0,0,0,1|2,0,0]=4 7005 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)O 2230a_100000209983_100000233757 [0,1,0,0,0,1|0,0,2]=4 7006 B17R1.744 CCCCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000210326 [0,1,0,0,0,1|2,0,0]=4 7007 B17R1.744 CCCCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000718602 [0,1,0,0,0,1|2,0,0]=4 7008 B17R1.744 CCCCCNCC(C)Oc1ccc(cc1)F 2230a_100000209983_100010228477 [0,1,0,0,0,1|2,0,0]=4 7009 B17R1.744 CCCCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000210326 [0,1,0,0,0,1|2,0,0]=4 7010 B17R1.744 CCCCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000718602 [0,1,0,0,0,1|2,0,0]=4 7011 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)O 2230a_100000102301_100011302330 [0,1,0,0,0,1|0,0,2]=4 7012 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)O 7a_106832991798_100011302330 [0,1,0,0,0,1|0,0,2]=4 7013 B17R1.744 CCCCOCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011995733 [0,1,0,0,0,1|2,0,0]=4 7014 B17R1.744 CCCCOCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011995733 [0,1,0,0,0,1|2,0,0]=4 7015 B17R1.744 CCOCCNCC(=O)Nc1ccc(cc1)O 2230a_102516460346_100000233757 [0,1,0,0,0,1|0,0,2]=4 7016 B17R1.744 CCOCCNCC(=O)Nc1ccc(cc1)O 34a_102516460346_100000233757 [0,1,0,0,0,1|0,0,2]=4 7017 B17R1.744 CCOCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100011215890 [0,1,0,0,0,1|2,0,0]=4 7018 B17R1.744 CCOCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000210147 [0,1,0,0,0,1|2,0,0]=4 7019 B17R1.744 CCOCCNCC(C)Oc1ccc(cc1)F 2230a_102516460346_100010228477 [0,1,0,0,0,1|2,0,0]=4 7020 B17R1.744 CCOCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100011215890 [0,1,0,0,0,1|2,0,0]=4 7021 B17R1.744 CCOCCNCC(C)Oc1ccc(cc1)F 34a_102516460346_100010228477 [0,1,0,0,0,1|2,0,0]=4 7022 B17R1.744 CCOCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000210147 [0,1,0,0,0,1|2,0,0]=4 7023 B17R1.744 CCSCCNCC(=O)Nc1ccc(cc1)O 2230a_100000106463_100000233757 [0,1,0,0,0,1|0,0,2]=4 7024 B17R1.744 CCSCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000757381 [0,1,0,0,0,1|2,0,0]=4 7025 B17R1.744 CCSCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000757381 [0,1,0,0,0,1|2,0,0]=4 7026 B17R1.744 CCSCCNCC(C)Oc1ccc(cc1)F 2230a_100000106463_100010228477 [0,1,0,0,0,1|2,0,0]=4 7027 B17R1.744 CCSCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000757381 [0,1,0,0,0,1|2,0,0]=4 7028 B17R1.744 CCSCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000757381 [0,1,0,0,0,1|2,0,0]=4 7029 B17R1.744 COCCCNCC(=O)Nc1ccc(cc1)O 34a_100150723488_100000233757 [0,1,0,0,0,1|0,0,2]=4 7030 B17R1.744 COCCCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000740836 [0,1,0,0,0,1|2,0,0]=4 7031 B17R1.744 COCCCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000740836 [0,1,0,0,0,1|2,0,0]=4 7032 B17R1.744 COCCCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000740836 [0,1,0,0,0,1|2,0,0]=4 7033 B17R1.744 COCCCNCC(C)Oc1ccc(cc1)F 34a_100150723488_100010228477 [0,1,0,0,0,1|2,0,0]=4 7034 B17R1.744 COCCCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000740836 [0,1,0,0,0,1|2,0,0]=4 7035 B17R1.744 CSCCCNCC(=O)Nc1ccc(cc1)O 2230a_100000749238_100000233757 [0,1,0,0,0,1|0,0,2]=4 7036 B17R1.744 CSCCCNCC(C)Oc1ccc(cc1)F 2230a_100000749238_100010228477 [0,1,0,0,0,1|2,0,0]=4 7037 B17R1.744 Cc1ccc(cc1)OC(C)CNCCCCF 2230a_100000763606_100000729493 [0,1,0,0,0,1|2,0,0]=4 7038 B17R1.744 Cc1ccc(cc1)OC(C)CNCCCCF 34a_100000763606_100000729493 [0,1,0,0,0,1|2,0,0]=4 7039 B17R1.744 Cc1ccc(cc1)OC(C)CNCCCCO 2230a_100000763606_100000210776 [0,1,0,0,0,1|2,0,0]=4 7040 B17R1.744 Cc1ccc(cc1)OC(C)CNCCCCO 34a_100000763606_100011216708 [0,1,0,0,0,1|2,0,0]=4 7041 B17R1.744 O=C(CNCCCCO)Nc1ccc(cc1)O 2230a_100000750430_100000233757 [0,1,0,0,0,1|0,0,2]=4 7042 B17R1.744 O=C(CNCCCCO)Nc1ccc(cc1)O 34a_100000750430_100000233757 [0,1,0,0,0,1|0,0,2]=4 7043 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100011215978 [0,1,0,0,0,1|2,0,0]=4 7044 B17R1.751 CCCCCCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100011215978 [0,1,0,0,0,1|2,0,0]=4 7045 B17R1.751 CCCCCCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100011215978 [0,1,0,0,0,1|2,0,0]=4 7046 B17R1.973 CCCC(C)NCC(=O)Nc1ccc(cc1)O 2230a_100000741246_100000233757 [0,1,0,0,0,1|0,0,2]=4 7047 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000766640 [0,1,0,0,0,1|2,0,0]=4 7048 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)C 270004a_100000763606_100000211909 [0,1,0,0,0,1|2,0,0]=4 7049 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)C 34a_100000763606_100000766640 [0,1,0,0,0,1|2,0,0]=4 7050 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)F 2230a_100000741246_100010228477 [0,1,0,0,0,1|2,0,0]=4 7051 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000766640 [0,1,0,0,0,1|2,0,0]=4 7052 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)F 270004a_200020586543_100000211909 [0,1,0,0,0,1|2,0,0]=4 7053 B17R1.973 CCCC(C)NCC(C)Oc1ccc(cc1)F 34a_200020586543_100000766640 [0,1,0,0,0,1|2,0,0]=4 7054 B17R1.1120 CC(C)CCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000210312 [0,1,0,0,0,1|2,0,0]=4 7055 B17R1.1120 CC(C)CCNCC(C)Oc1ccc(cc1)F 269862a_200020586543_100000185833 [0,1,0,0,0,1|2,0,0]=4 7056 B17R1.1120 CC(C)CCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000210312 [0,1,0,0,0,1|2,0,0]=4 7057 B17R1.1120 CC(O)CCNCC(=O)Nc1ccc(cc1)O 2230a_200000755665_100000233757 [0,1,0,0,0,1|0,0,2]=4 7058 B17R1.1120 CC(O)CCNCC(C)Oc1ccc(cc1)F 2230a_200000755665_100010228477 [0,1,0,0,0,1|2,0,0]=4 7059 B17R1.1120 CC(O)CCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100012276601 [0,1,0,0,0,1|2,0,0]=4 7060 B17R1.1120 CC(O)CCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100012276601 [0,1,0,0,0,1|2,0,0]=4 7061 B17R1.1120 Cc1ccc(cc1)OC(C)CNCCC(C)C 2230a_100000763606_100000210312 [0,1,0,0,0,1|2,0,0]=4 7062 B17R1.1120 Cc1ccc(cc1)OC(C)CNCCC(C)C 269862a_100000763606_100000185833 [0,1,0,0,0,1|2,0,0]=4 7063 B17R1.1120 Cc1ccc(cc1)OC(C)CNCCC(C)C 34a_100000763606_100000210312 [0,1,0,0,0,1|2,0,0]=4 7064 B17R1.1120 Cc1ccc(cc1)OC(C)CNCCC(C)O 2230a_100000763606_100012276601 [0,1,0,0,0,1|2,0,0]=4 7065 B17R1.1120 Cc1ccc(cc1)OC(C)CNCCC(C)O 34a_100000763606_100012276601 [0,1,0,0,0,1|2,0,0]=4 7066 B17R1.1257 CCCCCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210326 [0,1,0,0,0,1|1,0,1]=4 7067 B17R1.1257 CCCCNC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000735917 [0,1,0,0,0,1|1,0,1]=4 7068 B17R1.1257 CCCCNC(=O)C(C)Sc1ccc(cc1)O 62a_100000735917_100000185759 [0,1,0,0,0,1|1,0,1]=4 7069 B17R1.1257 CCCCNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100000102301_100012362158 [0,1,0,0,0,1|1,0,1]=4 7070 B17R1.1257 CCCCNC(=O)C(O)Cc1ccc(cc1)F 240690a_100000102301_100012179405 [0,1,0,0,0,1|1,0,1]=4 7071 B17R1.1257 CCCCNC(=O)C(O)Cc1ccc(cc1)O 240690a_100000102301_100015278814 [0,1,0,0,0,1|0,0,1]=3 7072 B17R1.1257 CCCCNC(=O)[C@@H](C)Oc1ccc(cc1)O 240690a_100000102301_100000005562 [0,1,0,0,0,1|1,0,1]=4 7073 B17R1.1257 CCCCNC(=O)[C@@H](C)Oc1ccc(cc1)O 527a_100000102301_100000005562 [0,1,0,0,0,1|1,0,1]=4 7074 B17R1.1257 CCCCNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100000102301_200015644258 [0,1,0,0,0,1|1,0,1]=4 7075 B17R1.1257 CCCNNC(=O)C(O)Cc1ccc(cc1)O 22a_100000740057_100015278814 [0,1,0,0,0,1|1,0,1]=4 7076 B17R1.1257 COCCNC(=O)C(O)Cc1ccc(cc1)O 240690a_100000209980_100015278814 [0,1,0,0,0,1|1,0,1]=4 7077 B17R1.1257 CSCCNC(=O)C(O)Cc1ccc(cc1)O 240690a_100020590264_100015278814 [0,1,0,0,0,1|1,0,1]=4 7078 B17R1.1257 O=C(NCCCF)C(O)Cc1ccc(cc1)O 240690a_100015189416_100015278814 [0,1,0,0,0,1|1,0,1]=4 7079 B17R1.1257 O=C(NCCCO)C(O)Cc1ccc(cc1)O 240690a_100000182051_100015278814 [0,1,0,0,0,1|1,0,1]=4 7080 B17R1.1381 CCC(C)CNCC(=O)Nc1ccc(cc1)O 2230a_100020588543_100000233757 [0,1,0,0,0,1|0,0,2]=4 7081 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000748023 [0,1,0,0,0,1|2,0,0]=4 7082 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)C 270004a_100000763606_100000243153 [0,1,0,0,0,1|2,0,0]=4 7083 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000748023 [0,1,0,0,0,1|2,0,0]=4 7084 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)F 2230a_100020588543_100010228477 [0,1,0,0,0,1|2,0,0]=4 7085 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000748023 [0,1,0,0,0,1|2,0,0]=4 7086 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)F 270004a_200020586543_100000243153 [0,1,0,0,0,1|2,0,0]=4 7087 B17R1.1381 CCC(C)CNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000748023 [0,1,0,0,0,1|2,0,0]=4 7088 B17R1.1381 CCC(O)CNCC(=O)Nc1ccc(cc1)O 2230a_100011218483_100000233757 [0,1,0,0,0,1|0,0,2]=4 7089 B17R1.1381 CCC(O)CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100011218378 [0,1,0,0,0,1|2,0,0]=4 7090 B17R1.1381 CCC(O)CNCC(C)Oc1ccc(cc1)C 34a_100000763606_100011218378 [0,1,0,0,0,1|2,0,0]=4 7091 B17R1.1381 CCC(O)CNCC(C)Oc1ccc(cc1)F 2230a_100011218483_100010228477 [0,1,0,0,0,1|2,0,0]=4 7092 B17R1.1381 CCC(O)CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100011218378 [0,1,0,0,0,1|2,0,0]=4 7093 B17R1.1381 CCC(O)CNCC(C)Oc1ccc(cc1)F 34a_200020586543_100011218378 [0,1,0,0,0,1|2,0,0]=4 7094 B17R1.1381 CC[C@H](C)CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100009816398 [0,1,0,0,0,1|2,0,0]=4 7095 B17R1.1381 CC[C@H](C)CNCC(C)Oc1ccc(cc1)C 34a_100000763606_100009816398 [0,1,0,0,0,1|2,0,0]=4 7096 B17R1.1381 CC[C@H](C)CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100009816398 [0,1,0,0,0,1|2,0,0]=4 7097 B17R1.1381 CC[C@H](C)CNCC(C)Oc1ccc(cc1)F 34a_200020586543_100009816398 [0,1,0,0,0,1|2,0,0]=4 7098 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210326 [0,1,0,0,0,1|2,0,0]=4 7099 B17R1.1462 CCCCCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000718602 [0,1,0,0,0,1|2,0,0]=4 7100 B17R1.1582 CCCCN(C)CC(=O)Nc1ccc(cc1)O 2230a_100000207549_100000233757 [0,1,0,0,0,1|0,0,2]=4 7101 B17R1.1582 CCCCN(C)CC(=O)Nc1ccc(cc1)O 269982a_100000207549_100000233757 [0,1,0,0,0,1|0,0,2]=4 7102 B17R1.1582 CCCCN(C)CC(C)Oc1ccc(cc1)F 2230a_100000207549_100010228477 [0,1,0,0,0,1|2,0,0]=4 7103 B17R1.1582 CCCCN(C)CC(C)Oc1ccc(cc1)F 269982a_100000207549_100010228477 [0,1,0,0,0,1|2,0,0]=4 7104 B17R1.6501 CCCCCCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100011215978 [0,1,0,0,0,1|2,0,0]=4 7105 B17R1.6501 CCCCCCC(C)Nc1ccc(cc1)CO 34a_100011215238_100011215978 [0,1,0,0,0,1|2,0,0]=4 7106 B17R1.6501 CCCCCCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215978 [0,1,0,0,0,1|2,0,0]=4 7107 B17R1.6501 CCCCCCC(C)Oc1ccc(cc1)CO 34a_100000211755_100011215978 [0,1,0,0,0,1|2,0,0]=4 7108 B17R1.6501 CCCCCCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215978 [0,1,0,0,0,1|2,0,0]=4 7109 B17R1.6501 CCCCCCC(C)Sc1ccc(cc1)CO 62a_100000690907_100011215978 [0,1,0,0,0,1|2,0,0]=4 7110 B17R1.6501 CCCCCCC(C)Sc1ccc(cc1)CO 62a_100011215978_100000690907 [0,1,0,0,0,1|2,0,0]=4 7111 B17R1.6501 CCCCNCC(=O)Nc1ccc(cc1)OC 2230a_100000102301_100000182860 [0,1,0,0,0,1|0,0,2]=4 7112 B17R1.6501 CCCCNCC(=O)Nc1ccc(cc1)OC 2230a_100025754840_100000210211 [0,1,0,0,0,1|0,0,2]=4 7113 B17R1.6501 CCCCNCC(=O)Nc1ccc(cc1)OC 7a_106832991798_100000182860 [0,1,0,0,0,1|0,0,2]=4 7114 B17R1.6501 CCCCNCC(=O)Oc1ccc(cc1)OC 2230a_100000102301_100010004613 [0,1,0,0,0,1|0,0,2]=4 7115 B17R1.6501 CCCCNCC(=O)Oc1ccc(cc1)OC 7a_106832991798_100010004613 [0,1,0,0,0,1|0,0,2]=4 7116 B17R1.6501 CCCCNCC(C)Oc1ccc(cc1)OC 2230a_100000764123_100000210211 [0,1,0,0,0,1|1,0,0]=3 7117 B17R1.6501 CCCCNCC(C)Oc1ccc(cc1)OC 34a_100000764123_100000210210 [0,1,0,0,0,1|1,0,0]=3 7118 B17R1.6501 COCCNCC(C)Oc1ccc(cc1)OC 2230a_100000764123_100011201679 [0,1,0,0,0,1|2,0,0]=4 7119 B17R1.6501 COCCNCC(C)Oc1ccc(cc1)OC 34a_100000764123_100011201679 [0,1,0,0,0,1|2,0,0]=4 7120 B17R1.6501 COc1ccc(cc1)OC(C)CNCCCF 2230a_100000764123_100011934791 [0,1,0,0,0,1|2,0,0]=4 7121 B17R1.6501 COc1ccc(cc1)OC(C)CNCCCF 34a_100000764123_100011934791 [0,1,0,0,0,1|2,0,0]=4 7122 B17R1.6501 COc1ccc(cc1)OC(C)CNCCCO 2230a_100000764123_100000230001 [0,1,0,0,0,1|2,0,0]=4 7123 B17R1.6501 COc1ccc(cc1)OC(C)CNCCCO 34a_100000764123_100000230001 [0,1,0,0,0,1|2,0,0]=4 7124 B17R1.6501 COc1ccc(cc1)OC(C)CNCCSC 2230a_100000764123_100000751147 [0,1,0,0,0,1|2,0,0]=4 7125 B17R1.6501 COc1ccc(cc1)OC(C)CNCCSC 34a_100000764123_100000212216 [0,1,0,0,0,1|2,0,0]=4 7126 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100011215978 [0,1,0,0,0,1|2,0,0]=4 7127 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)C)O 34a_100011218179_100011215978 [0,1,0,0,0,1|2,0,0]=4 7128 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)C)O 7a_100011218179_100011215978 [0,1,0,0,0,1|2,0,0]=4 7129 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100011215978 [0,1,0,0,0,1|2,0,0]=4 7130 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100011215978 [0,1,0,0,0,1|2,0,0]=4 7131 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100011215978 [0,1,0,0,0,1|2,0,0]=4 7132 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100011215978 [0,1,0,0,0,1|2,0,0]=4 7133 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100011215978 [0,1,0,0,0,1|2,0,0]=4 7134 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)F)O 62a_100011215978_100000185481 [0,1,0,0,0,1|2,0,0]=4 7135 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100011215978 [0,1,0,0,0,1|2,0,0]=4 7136 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)N)O 62a_100011215978_100000752626 [0,1,0,0,0,1|2,0,0]=4 7137 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)O)O 62a_100011215978_100009813601 [0,1,0,0,0,1|2,0,0]=4 7138 B17R1.59815 CCCCCCC(C)Nc1ccc(cc1Br)O 34a_100012001276_100011215978 [0,1,0,0,0,1|2,0,0]=4 7139 B17R1.59815 CCCCCCC(C)Nc1ccc(cc1C)O 34a_100000756630_100011215978 [0,1,0,0,0,1|2,0,0]=4 7140 B17R1.59815 CCCCCCC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100011215978 [0,1,0,0,0,1|2,0,0]=4 7141 B17R1.59815 CCCCCCC(C)Nc1ccc(cc1F)O 34a_100000759473_100011215978 [0,1,0,0,0,1|2,0,0]=4 7142 B17R1.59815 CCCCCCC(C)Nc1ccc(cc1I)O 34a_100010084370_100011215978 [0,1,0,0,0,1|2,0,0]=4 7143 B17R1.59815 CCCCCCC(C)Nc1ccc(cc1O)O 34a_100000106777_100011215978 [0,1,0,0,0,1|2,0,0]=4 7144 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1F)O 62a_100000755031_100011215978 [0,1,0,0,0,1|2,0,0]=4 7145 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1F)O 62a_100011215978_100000755031 [0,1,0,0,0,1|2,0,0]=4 7146 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1N)O 62a_100011215978_100011999798 [0,1,0,0,0,1|2,0,0]=4 7147 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1N)O 62a_100011999798_100011215978 [0,1,0,0,0,1|2,0,0]=4 7148 B17R1.59815 CCCCCCC(C)Sc1ccc(cc1O)O 62a_100011215978_100009813921 [0,1,0,0,0,1|2,0,0]=4 7149 B17R1.710 CCCCCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210314 [0,2,0,0,0,0|2,0,0]=4 7150 B17R1.710 CCCCCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210314 [0,2,0,0,0,0|2,0,0]=4 7151 B17R1.710 CCCCCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210314 [0,2,0,0,0,0|2,0,0]=4 7152 B17R1.710 CCCCCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210314 [0,2,0,0,0,0|2,0,0]=4 7153 B17R1.710 CCCCCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210314 [0,2,0,0,0,0|2,0,0]=4 7154 B17R1.710 CCCCCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210314 [0,2,0,0,0,0|2,0,0]=4 7155 B17R1.710 CCCCCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210314 [0,2,0,0,0,0|2,0,0]=4 7156 B17R1.710 CCCCCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210314 [0,2,0,0,0,0|2,0,0]=4 7157 B17R1.710 CCCCCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210314 [0,2,0,0,0,0|2,0,0]=4 7158 B17R1.710 CCCCOCNC(CC)c1ccc(cc1)O 34a_100015187210_100011995733 [0,2,0,0,0,0|2,0,0]=4 7159 B17R1.710 CCCCOCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100011995733 [0,2,0,0,0,0|2,0,0]=4 7160 B17R1.710 CCCCOCNC(CO)c1ccc(cc1)Br 34a_100000734186_100011995733 [0,2,0,0,0,0|2,0,0]=4 7161 B17R1.710 CCCCOCNC(CO)c1ccc(cc1)F 2230a_100000705410_100011995733 [0,2,0,0,0,0|2,0,0]=4 7162 B17R1.710 CCCCOCNC(CO)c1ccc(cc1)F 34a_100000705410_100011995733 [0,2,0,0,0,0|2,0,0]=4 7163 B17R1.710 CCCCOCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100011995733 [0,2,0,0,0,0|2,0,0]=4 7164 B17R1.710 CCCCOCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100011995733 [0,2,0,0,0,0|2,0,0]=4 7165 B17R1.710 CCCCOCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100011995733 [0,2,0,0,0,0|2,0,0]=4 7166 B17R1.710 CCCCOCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100011995733 [0,2,0,0,0,0|2,0,0]=4 7167 B17R1.1844 CCCCNC(=O)C(OC)c1ccc(cc1)Cl 11a_100000102301_100012350483 [0,2,0,0,0,0|1,0,1]=4 7168 B17R1.1844 CCCCNC(=O)C(OC)c1ccc(cc1)Cl 1626a_100000102301_100012350483 [0,2,0,0,0,0|1,0,1]=4 7169 B17R1.1844 CCCCNC(=O)C(OC)c1ccc(cc1)Cl 240690a_100000102301_100012350483 [0,2,0,0,0,0|1,0,1]=4 7170 B17R1.1844 CCCCNC(=O)C(OC)c1ccc(cc1)Cl 527a_100000102301_100012350483 [0,2,0,0,0,0|1,0,1]=4 7171 B17R1.5216 CCCCCNC(CO)c1ccc(cc1)OC 2230a_100000751956_100000210326 [0,2,0,0,0,0|2,0,0]=4 7172 B17R1.5216 CCCCCNC(CO)c1ccc(cc1)OC 34a_100000751956_100000718602 [0,2,0,0,0,0|2,0,0]=4 7173 B17R1.7809 CCCCNN=C(COC)c1ccc(cc1)O 4a_100025702795_200009861119 [0,2,0,0,0,0|1,0,1]=4 7174 B17R1.7814 CCCCNC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_100000210211 [0,2,0,0,0,0|1,0,0]=3 7175 B17R1.7814 CCOCNC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_100000739092 [0,2,0,0,0,0|2,0,0]=4 7176 B17R1.7814 COCCNC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_100000233755 [0,2,0,0,0,0|2,0,0]=4 7177 B17R1.7814 CSCCNC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_100000212216 [0,2,0,0,0,0|2,0,0]=4 7178 B17R1.7814 O=C(O)[C@H](CNCCCF)c1ccc(cc1)Cl 269956a_100015407067_100011934791 [0,2,0,0,0,0|2,0,0]=4 7179 B17R1.7814 O=C(O)[C@H](CNCCCO)c1ccc(cc1)Cl 269956a_100015407067_100011215043 [0,2,0,0,0,0|2,0,0]=4 7180 B17R1.748 C#CCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000692101 [0,2,0,0,0,0|0,0,2]=4 7181 B17R1.748 C=CCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000749702 [0,2,0,0,0,0|0,0,2]=4 7182 B17R1.748 C=CCCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000762624 [0,2,0,0,0,0|1,0,1]=4 7183 B17R1.748 C=CCCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000762624 [0,2,0,0,0,0|1,0,1]=4 7184 B17R1.748 C=CCCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000762624 [0,2,0,0,0,0|1,0,1]=4 7185 B17R1.748 C=CCCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000762624 [0,2,0,0,0,0|1,0,1]=4 7186 B17R1.748 CC(CCCCl)OCC(O)c1ccc(cc1)Cl 34a_200000718107_200011996143 [0,2,0,0,0,0|2,0,0]=4 7187 B17R1.748 CC(CCCCl)OCC(O)c1ccc(cc1)Cl 7a_200000718107_200011996143 [0,2,0,0,0,0|2,0,0]=4 7188 B17R1.748 CC(CCCCl)OC[C@H](O)c1ccc(cc1)F 34a_200000718107_100000720402 [0,2,0,0,0,0|2,0,0]=4 7189 B17R1.748 CC(CCCCl)OC[C@H](O)c1ccc(cc1)F 7a_200000718107_100000720402 [0,2,0,0,0,0|2,0,0]=4 7190 B17R1.748 CC=CCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100121576822 [0,2,0,0,0,0|0,0,2]=4 7191 B17R1.748 CCC=CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000212282 [0,2,0,0,0,0|0,0,2]=4 7192 B17R1.748 CCCCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000210183 [0,2,0,0,0,0|1,0,0]=3 7193 B17R1.748 CCCCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000210183 [0,2,0,0,0,0|1,0,0]=3 7194 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210183 [0,2,0,0,0,0|1,0,0]=3 7195 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210183 [0,2,0,0,0,0|1,0,0]=3 7196 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000210183 [0,2,0,0,0,0|1,0,0]=3 7197 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000210183 [0,2,0,0,0,0|1,0,0]=3 7198 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000210183 [0,2,0,0,0,0|1,0,0]=3 7199 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210183 [0,2,0,0,0,0|1,0,0]=3 7200 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210183 [0,2,0,0,0,0|1,0,0]=3 7201 B17R1.748 CCCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210183 [0,2,0,0,0,0|0,0,0]=2 7202 B17R1.748 CCCCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000210087 [0,2,0,0,0,0|1,0,0]=3 7203 B17R1.748 CCCCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_200011215066 [0,2,0,0,0,0|1,0,0]=3 7204 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_200011215066 [0,2,0,0,0,0|1,0,0]=3 7205 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000210087 [0,2,0,0,0,0|1,0,0]=3 7206 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_200011215066 [0,2,0,0,0,0|1,0,0]=3 7207 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_200011215066 [0,2,0,0,0,0|1,0,0]=3 7208 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000210087 [0,2,0,0,0,0|1,0,0]=3 7209 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_200011215066 [0,2,0,0,0,0|1,0,0]=3 7210 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000126638_200011996143 [0,2,0,0,0,0|1,0,0]=3 7211 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200011215066 [0,2,0,0,0,0|1,0,0]=3 7212 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000210087 [0,2,0,0,0,0|1,0,0]=3 7213 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_200011215066 [0,2,0,0,0,0|1,0,0]=3 7214 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_200011215066 [0,2,0,0,0,0|0,0,0]=2 7215 B17R1.748 CCCCC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000126638_100000720402 [0,2,0,0,0,0|1,0,0]=3 7216 B17R1.748 CCCCC(C)OCC(O)c1ccc(cc1)Cl 34a_100000687866_200011996143 [0,2,0,0,0,0|2,0,0]=4 7217 B17R1.748 CCCCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000687866_200011996143 [0,2,0,0,0,0|2,0,0]=4 7218 B17R1.748 CCCCC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000687866_100000720402 [0,2,0,0,0,0|2,0,0]=4 7219 B17R1.748 CCCCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000687866_100000720402 [0,2,0,0,0,0|2,0,0]=4 7220 B17R1.748 CCCCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011215066_200011996143 [0,2,0,0,0,0|2,0,0]=4 7221 B17R1.748 CCCCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_200011215066 [0,2,0,0,0,0|2,0,0]=4 7222 B17R1.748 CCCCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200011215066 [0,2,0,0,0,0|2,0,0]=4 7223 B17R1.748 CCCCC(C)SC[C@H](O)c1ccc(cc1)F 62a_200011215066_100000720402 [0,2,0,0,0,0|2,0,0]=4 7224 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)O 2230a_100000207549_100009879949 [0,2,0,0,0,0|0,0,2]=4 7225 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)O 269982a_100000207549_100009879949 [0,2,0,0,0,0|0,0,2]=4 7226 B17R1.748 CCCNC(=O)NCC(C)c1ccc(cc1)O 2708a_100020643023_200015188644 [0,2,0,0,0,0|1,0,1]=4 7227 B17R1.748 CCCNC(=O)NCC(C)c1ccc(cc1)O 2708a_200015188644_100020643023 [0,2,0,0,0,0|1,0,1]=4 7228 B17R1.748 CCCNC(=O)NCC(C)c1ccc(cc1)O 273464a_100020643023_200015188644 [0,2,0,0,0,0|1,0,1]=4 7229 B17R1.748 CCCNC(=O)NCC(C)c1ccc(cc1)O 273464a_200015188644_100020643023 [0,2,0,0,0,0|1,0,1]=4 7230 B17R1.748 CCCNC(=O)NCC(C)c1ccc(cc1)O 512a_100020643023_200015188644 [0,2,0,0,0,0|1,0,1]=4 7231 B17R1.748 CCCNC(=O)NCC(C)c1ccc(cc1)O 512a_200015188644_100020643023 [0,2,0,0,0,0|1,0,1]=4 7232 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Br 2708a_100020643023_100020626992 [0,2,0,0,0,0|1,0,1]=4 7233 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Br 273464a_100020626992_100020643023 [0,2,0,0,0,0|1,0,1]=4 7234 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Br 273464a_100020643023_100020626992 [0,2,0,0,0,0|1,0,1]=4 7235 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Br 512a_100020626992_100020643023 [0,2,0,0,0,0|1,0,1]=4 7236 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Br 512a_100020643023_100020626992 [0,2,0,0,0,0|1,0,1]=4 7237 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)C 2708a_100020643023_200020610344 [0,2,0,0,0,0|1,0,1]=4 7238 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)C 273464a_100020643023_200020610344 [0,2,0,0,0,0|1,0,1]=4 7239 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)C 273464a_200020610344_100020643023 [0,2,0,0,0,0|1,0,1]=4 7240 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)C 512a_100020643023_200020610344 [0,2,0,0,0,0|1,0,1]=4 7241 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Cl 2708a_100020643023_100000736658 [0,2,0,0,0,0|1,0,1]=4 7242 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Cl 273464a_100020643023_100000736658 [0,2,0,0,0,0|1,0,1]=4 7243 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Cl 512a_100000736658_100020643023 [0,2,0,0,0,0|1,0,1]=4 7244 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)Cl 512a_100020643023_100000736658 [0,2,0,0,0,0|1,0,1]=4 7245 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)O 2708a_100020643023_100000067596 [0,2,0,0,0,0|0,0,1]=3 7246 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)O 273464a_100020643023_100000067596 [0,2,0,0,0,0|0,0,1]=3 7247 B17R1.748 CCCNC(=O)NCC(O)c1ccc(cc1)O 512a_100020643023_100000067596 [0,2,0,0,0,0|0,0,1]=3 7248 B17R1.748 CCOCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000211967 [0,2,0,0,0,0|1,0,1]=4 7249 B17R1.748 CCOCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000211967 [0,2,0,0,0,0|1,0,1]=4 7250 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000211967 [0,2,0,0,0,0|1,0,1]=4 7251 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000211967 [0,2,0,0,0,0|1,0,1]=4 7252 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000211967 [0,2,0,0,0,0|1,0,1]=4 7253 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000211967 [0,2,0,0,0,0|1,0,1]=4 7254 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000211967 [0,2,0,0,0,0|1,0,1]=4 7255 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000211967 [0,2,0,0,0,0|1,0,1]=4 7256 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000211967 [0,2,0,0,0,0|1,0,1]=4 7257 B17R1.748 CCOCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000211967 [0,2,0,0,0,0|0,0,1]=3 7258 B17R1.748 CCOCC(C)OCC(O)c1ccc(cc1)Cl 34a_100000718985_200011996143 [0,2,0,0,0,0|2,0,0]=4 7259 B17R1.748 CCOCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000718985_200011996143 [0,2,0,0,0,0|2,0,0]=4 7260 B17R1.748 CCOCC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000718985_100000720402 [0,2,0,0,0,0|2,0,0]=4 7261 B17R1.748 CCOCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000718985_100000720402 [0,2,0,0,0,0|2,0,0]=4 7262 B17R1.748 CCSCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000230394 [0,2,0,0,0,0|1,0,1]=4 7263 B17R1.748 CCSCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000230394 [0,2,0,0,0,0|1,0,1]=4 7264 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000230394 [0,2,0,0,0,0|1,0,1]=4 7265 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000230394 [0,2,0,0,0,0|1,0,1]=4 7266 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000230394 [0,2,0,0,0,0|1,0,1]=4 7267 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000230394 [0,2,0,0,0,0|1,0,1]=4 7268 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000230394 [0,2,0,0,0,0|1,0,1]=4 7269 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000230394 [0,2,0,0,0,0|1,0,1]=4 7270 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000230394 [0,2,0,0,0,0|1,0,1]=4 7271 B17R1.748 CCSCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000230394 [0,2,0,0,0,0|0,0,1]=3 7272 B17R1.748 CCSCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_200011216171 [0,2,0,0,0,0|1,0,0]=3 7273 B17R1.748 CCSCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_200011216171 [0,2,0,0,0,0|1,0,0]=3 7274 B17R1.748 CCSCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_200011216171 [0,2,0,0,0,0|1,0,0]=3 7275 B17R1.748 CCSCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_200011216171 [0,2,0,0,0,0|1,0,0]=3 7276 B17R1.748 COCCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000749529 [0,2,0,0,0,0|1,0,1]=4 7277 B17R1.748 COCCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000749529 [0,2,0,0,0,0|1,0,1]=4 7278 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000749529 [0,2,0,0,0,0|1,0,1]=4 7279 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000749529 [0,2,0,0,0,0|1,0,1]=4 7280 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000749529 [0,2,0,0,0,0|1,0,1]=4 7281 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000749529 [0,2,0,0,0,0|1,0,1]=4 7282 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000749529 [0,2,0,0,0,0|1,0,1]=4 7283 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000749529 [0,2,0,0,0,0|1,0,1]=4 7284 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000749529 [0,2,0,0,0,0|1,0,1]=4 7285 B17R1.748 COCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000749529 [0,2,0,0,0,0|0,0,1]=3 7286 B17R1.748 COCCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000742357 [0,2,0,0,0,0|1,0,0]=3 7287 B17R1.748 COCCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000742357 [0,2,0,0,0,0|1,0,0]=3 7288 B17R1.748 COCCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000742357 [0,2,0,0,0,0|1,0,0]=3 7289 B17R1.748 COCCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000742357 [0,2,0,0,0,0|1,0,0]=3 7290 B17R1.748 CSCCC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000174002 [0,2,0,0,0,0|1,0,1]=4 7291 B17R1.748 CSCCC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000174002 [0,2,0,0,0,0|1,0,1]=4 7292 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000174002 [0,2,0,0,0,0|1,0,1]=4 7293 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000174002 [0,2,0,0,0,0|1,0,1]=4 7294 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000174002 [0,2,0,0,0,0|1,0,1]=4 7295 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000174002 [0,2,0,0,0,0|1,0,1]=4 7296 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000174002 [0,2,0,0,0,0|1,0,1]=4 7297 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000174002 [0,2,0,0,0,0|1,0,1]=4 7298 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000174002 [0,2,0,0,0,0|1,0,1]=4 7299 B17R1.748 CSCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000174002 [0,2,0,0,0,0|0,0,1]=3 7300 B17R1.748 CSCCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100011217047 [0,2,0,0,0,0|1,0,0]=3 7301 B17R1.748 CSCCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100011217047 [0,2,0,0,0,0|1,0,0]=3 7302 B17R1.748 CSCCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100011217047 [0,2,0,0,0,0|1,0,0]=3 7303 B17R1.748 CSCCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100011217047 [0,2,0,0,0,0|1,0,0]=3 7304 B17R1.748 N#CCCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100011934036 [0,2,0,0,0,0|0,0,2]=4 7305 B17R1.748 O=C(NCCF)NCC(O)c1ccc(cc1)O 273464a_100000724931_100000067596 [0,2,0,0,0,0|1,0,1]=4 7306 B17R1.948 CC(CC#N)N(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100009813641 [0,2,0,0,0,0|1,0,1]=4 7307 B17R1.948 CC(CC#N)N(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100009813641 [0,2,0,0,0,0|1,0,1]=4 7308 B17R1.948 CC(CCO)N(C)CC(O)c1ccc(cc1)Cl 2230a_100000731037_200011996143 [0,2,0,0,0,0|2,0,0]=4 7309 B17R1.948 CC(CCO)N(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100009893172 [0,2,0,0,0,0|1,0,0]=3 7310 B17R1.948 CC(CCO)N(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100009893172 [0,2,0,0,0,0|1,0,0]=3 7311 B17R1.948 CC(CCO)N(C)C[C@H](O)c1ccc(cc1)F 2230a_100000731037_100000720402 [0,2,0,0,0,0|2,0,0]=4 7312 B17R1.948 CCCC(=O)N(C)CC(O)c1ccc(cc1)O 240690a_100016988945_100000211992 [0,2,0,0,0,0|0,0,1]=3 7313 B17R1.948 CCCC(C)C(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210906_200011996143 [0,2,0,0,0,0|2,0,0]=4 7314 B17R1.948 CCCC(C)C(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210906_100000720402 [0,2,0,0,0,0|2,0,0]=4 7315 B17R1.948 CCCC(C)N(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000766640 [0,2,0,0,0,0|0,0,0]=2 7316 B17R1.948 CCCC(C)N(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000766640 [0,2,0,0,0,0|0,0,0]=2 7317 B17R1.948 CCC[C@H](O)C(=O)CC(O)c1ccc(cc1)Cl 1458a_100009822183_200011996143 [0,2,0,0,0,0|2,0,0]=4 7318 B17R1.948 CCC[C@H](O)C(=O)C[C@H](O)c1ccc(cc1)F 1458a_100009822183_100000720402 [0,2,0,0,0,0|2,0,0]=4 7319 B17R1.948 CCNC(=O)N(C)CC(O)c1ccc(cc1)O 2708a_100015525214_100016988945 [0,2,0,0,0,0|1,0,1]=4 7320 B17R1.948 CCNC(=O)N(C)CC(O)c1ccc(cc1)O 273464a_100015525214_100016988945 [0,2,0,0,0,0|1,0,1]=4 7321 B17R1.948 CN(CC(O)c1ccc(cc1)O)C(=O)CCO 240690a_100016988945_100011216618 [0,2,0,0,0,0|1,0,1]=4 7322 B17R1.948 COCC(=O)N(C)CC(O)c1ccc(cc1)O 240690a_100016988945_100000210968 [0,2,0,0,0,0|1,0,1]=4 7323 B17R1.948 COCC(C)N(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000765312 [0,2,0,0,0,0|1,0,0]=3 7324 B17R1.948 COCC(C)N(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000765312 [0,2,0,0,0,0|1,0,0]=3 7325 B17R1.948 CSCC(=O)N(C)CC(O)c1ccc(cc1)O 240690a_100016988945_100000184570 [0,2,0,0,0,0|1,0,1]=4 7326 B17R1.952 CC(CCO)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100009893172 [0,2,0,0,0,0|2,0,0]=4 7327 B17R1.952 CC(CCO)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100009893172 [0,2,0,0,0,0|2,0,0]=4 7328 B17R1.952 CCCC(=O)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 240690a_200009830414_100000211992 [0,2,0,0,0,0|1,0,1]=4 7329 B17R1.952 CCCC(=O)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 527a_200009830414_100000211992 [0,2,0,0,0,0|1,0,1]=4 7330 B17R1.952 CCCC(C)CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100011216630 [0,2,0,0,0,0|1,0,1]=4 7331 B17R1.952 CCCC(C)NC(=O)C(C)c1ccc(cc1)O 240690a_100000741246_100000031422 [0,2,0,0,0,0|1,0,1]=4 7332 B17R1.952 CCCC(C)NC(=O)C(O)c1ccc(cc1)Br 240690a_100000741246_100000756554 [0,2,0,0,0,0|1,0,1]=4 7333 B17R1.952 CCCC(C)NC(=O)C(O)c1ccc(cc1)F 240690a_100000741246_100000209909 [0,2,0,0,0,0|1,0,1]=4 7334 B17R1.952 CCCC(C)NC(=O)C(O)c1ccc(cc1)O 240690a_100000741246_100011215213 [0,2,0,0,0,0|0,0,1]=3 7335 B17R1.952 CCCC(C)NC(=O)[C@H](O)c1ccc(cc1)C 240690a_100000741246_100009815954 [0,2,0,0,0,0|1,0,1]=4 7336 B17R1.952 CCCC(C)NC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000741246_100009817493 [0,2,0,0,0,0|1,0,1]=4 7337 B17R1.952 CCCC(C)NC(C)C(=O)c1ccc(cc1)O 2230a_100000741246_200010205864 [0,2,0,0,0,0|0,0,2]=4 7338 B17R1.952 CCCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000766640 [0,2,0,0,0,0|1,0,0]=3 7339 B17R1.952 CCCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 270004a_200009830414_100000211909 [0,2,0,0,0,0|1,0,0]=3 7340 B17R1.952 CCCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000766640 [0,2,0,0,0,0|1,0,0]=3 7341 B17R1.952 COCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000765312 [0,2,0,0,0,0|2,0,0]=4 7342 B17R1.952 COCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 270004a_200009830414_100000749346 [0,2,0,0,0,0|2,0,0]=4 7343 B17R1.952 COCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000765312 [0,2,0,0,0,0|2,0,0]=4 7344 B17R1.952 COC[C@@H](C)NC(=O)C(O)c1ccc(cc1)O 240690a_100000764878_100011215213 [0,2,0,0,0,0|1,0,1]=4 7345 B17R1.952 CSCC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 270004a_200009830414_100011216314 [0,2,0,0,0,0|2,0,0]=4 7346 B17R1.952 C[C@H](CCO)NC(=O)C(O)c1ccc(cc1)O 240690a_100000706166_100011215213 [0,2,0,0,0,0|1,0,1]=4 7347 B17R1.1196 CCC(=O)C(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000742827 [0,2,0,0,0,0|1,0,1]=4 7348 B17R1.1196 CCC(=O)C(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_100000742827 [0,2,0,0,0,0|1,0,1]=4 7349 B17R1.1196 CCC(=O)C(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000742827 [0,2,0,0,0,0|1,0,1]=4 7350 B17R1.1196 CCC(C)C(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100011192722 [0,2,0,0,0,0|1,0,1]=4 7351 B17R1.1196 CCC(C)C(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100011192722 [0,2,0,0,0,0|1,0,1]=4 7352 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100011192722 [0,2,0,0,0,0|1,0,1]=4 7353 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100011192722 [0,2,0,0,0,0|1,0,1]=4 7354 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100011192722 [0,2,0,0,0,0|1,0,1]=4 7355 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100011192722 [0,2,0,0,0,0|1,0,1]=4 7356 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100011192722 [0,2,0,0,0,0|1,0,1]=4 7357 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100011192722 [0,2,0,0,0,0|1,0,1]=4 7358 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100011192722 [0,2,0,0,0,0|1,0,1]=4 7359 B17R1.1196 CCC(C)C(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100011192722 [0,2,0,0,0,0|0,0,1]=3 7360 B17R1.1196 CCC(C)C(C)NCC(C)c1ccc(cc1)O 269862a_200015188644_100000210599 [0,2,0,0,0,0|1,0,0]=3 7361 B17R1.1196 CCC(C)C(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000210599 [0,2,0,0,0,0|1,0,0]=3 7362 B17R1.1196 CCC(C)C(C)NCC(O)c1ccc(cc1)Br 269862a_100020626992_100000210599 [0,2,0,0,0,0|1,0,0]=3 7363 B17R1.1196 CCC(C)C(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000210599 [0,2,0,0,0,0|1,0,0]=3 7364 B17R1.1196 CCC(C)C(C)NCC(O)c1ccc(cc1)C 269862a_200020610344_100000210599 [0,2,0,0,0,0|1,0,0]=3 7365 B17R1.1196 CCC(C)C(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000210599 [0,2,0,0,0,0|1,0,0]=3 7366 B17R1.1196 CCC(C)C(C)NCC(O)c1ccc(cc1)Cl 269862a_100000736658_100000210599 [0,2,0,0,0,0|1,0,0]=3 7367 B17R1.1196 CCC(C)C(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000210599 [0,2,0,0,0,0|1,0,0]=3 7368 B17R1.1196 CCC(C)C(C)OCC(O)c1ccc(cc1)Cl 7a_100011215189_200011996143 [0,2,0,0,0,0|2,0,0]=4 7369 B17R1.1196 CCC(C)C(C)OC[C@H](O)c1ccc(cc1)F 7a_100011215189_100000720402 [0,2,0,0,0,0|2,0,0]=4 7370 B17R1.1196 CCC(O)C(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100011196387 [0,2,0,0,0,0|1,0,1]=4 7371 B17R1.1196 CCC(O)C(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100011196387 [0,2,0,0,0,0|1,0,1]=4 7372 B17R1.1196 CCC(O)C(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100011196387 [0,2,0,0,0,0|1,0,1]=4 7373 B17R1.1196 CCC(O)C(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100011196387 [0,2,0,0,0,0|1,0,1]=4 7374 B17R1.1196 CCC(O)C(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100011196387 [0,2,0,0,0,0|0,0,1]=3 7375 B17R1.1196 CNC(=O)C(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000731044 [0,2,0,0,0,0|1,0,1]=4 7376 B17R1.1196 CNC(=O)C(F)NCC(O)c1ccc(cc1)O 34a_100000067596_100009813575 [0,2,0,0,0,0|1,0,1]=4 7377 B17R1.1196 COC(=O)C(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000211248 [0,2,0,0,0,0|1,0,1]=4 7378 B17R1.1196 COC(C)C(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000743197 [0,2,0,0,0,0|1,0,1]=4 7379 B17R1.1196 CSC(C)C(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000149566 [0,2,0,0,0,0|1,0,1]=4 7380 B17R1.1665 CCCC(C)NCC(C)(C)c1ccc(cc1)Br 270004a_100000741246_100010228009 [0,2,0,0,0,0|2,0,0]=4 7381 B17R1.1665 CCCC(C)NCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000766640 [0,2,0,0,0,0|2,0,0]=4 7382 B17R1.1665 CCCC(C)NCC(C)(C)c1ccc(cc1)Cl 270004a_100000742012_100000211909 [0,2,0,0,0,0|2,0,0]=4 7383 B17R1.1703 C#CC(CCC)OCC(O)c1ccc(cc1)Cl 34a_200011217317_200011996143 [0,2,0,0,0,0|2,0,0]=4 7384 B17R1.1703 C#CC(CCC)OCC(O)c1ccc(cc1)Cl 7a_200011217317_200011996143 [0,2,0,0,0,0|2,0,0]=4 7385 B17R1.1703 C#CC(CCC)OC[C@H](O)c1ccc(cc1)F 34a_200011217317_100000720402 [0,2,0,0,0,0|2,0,0]=4 7386 B17R1.1703 C#CC(CCC)OC[C@H](O)c1ccc(cc1)F 7a_200011217317_100000720402 [0,2,0,0,0,0|2,0,0]=4 7387 B17R1.1703 C=CC(CCC)OCC(O)c1ccc(cc1)Cl 34a_100011216692_200011996143 [0,2,0,0,0,0|2,0,0]=4 7388 B17R1.1703 C=CC(CCC)OCC(O)c1ccc(cc1)Cl 7a_100011216692_200011996143 [0,2,0,0,0,0|2,0,0]=4 7389 B17R1.1703 C=CC(CCC)OC[C@H](O)c1ccc(cc1)F 34a_100011216692_100000720402 [0,2,0,0,0,0|2,0,0]=4 7390 B17R1.1703 C=CC(CCC)OC[C@H](O)c1ccc(cc1)F 7a_100011216692_100000720402 [0,2,0,0,0,0|2,0,0]=4 7391 B17R1.1703 CCC(COC)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000757811 [0,2,0,0,0,0|2,0,0]=4 7392 B17R1.1703 CCC(COC)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000757811 [0,2,0,0,0,0|2,0,0]=4 7393 B17R1.1703 CCC(COC)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000757811 [0,2,0,0,0,0|2,0,0]=4 7394 B17R1.1703 CCC(COC)NCC(O)c1ccc(cc1)Cl 2230a_100000757820_200011996143 [0,2,0,0,0,0|2,0,0]=4 7395 B17R1.1703 CCC(COC)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000757811 [0,2,0,0,0,0|2,0,0]=4 7396 B17R1.1703 CCC(COC)NC[C@H](O)c1ccc(cc1)F 2230a_100000757820_100000720402 [0,2,0,0,0,0|2,0,0]=4 7397 B17R1.1703 CCCC(C#N)OCC(O)c1ccc(cc1)Cl 34a_100000686963_200011996143 [0,2,0,0,0,0|2,0,0]=4 7398 B17R1.1703 CCCC(C#N)OCC(O)c1ccc(cc1)Cl 7a_100000686963_200011996143 [0,2,0,0,0,0|2,0,0]=4 7399 B17R1.1703 CCCC(C#N)OC[C@H](O)c1ccc(cc1)F 34a_100000686963_100000720402 [0,2,0,0,0,0|2,0,0]=4 7400 B17R1.1703 CCCC(C#N)OC[C@H](O)c1ccc(cc1)F 7a_100000686963_100000720402 [0,2,0,0,0,0|2,0,0]=4 7401 B17R1.1703 CCCC(CC)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000687865 [0,2,0,0,0,0|1,0,0]=3 7402 B17R1.1703 CCCC(CC)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000687865 [0,2,0,0,0,0|1,0,0]=3 7403 B17R1.1703 CCCC(CC)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000687865 [0,2,0,0,0,0|1,0,0]=3 7404 B17R1.1703 CCCC(CC)NCC(O)c1ccc(cc1)Cl 2230a_100000747048_200011996143 [0,2,0,0,0,0|1,0,0]=3 7405 B17R1.1703 CCCC(CC)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000687865 [0,2,0,0,0,0|1,0,0]=3 7406 B17R1.1703 CCCC(CC)NC[C@H](O)c1ccc(cc1)F 2230a_100000747048_100000720402 [0,2,0,0,0,0|1,0,0]=3 7407 B17R1.1703 CCCC(CC)OCC(O)c1ccc(cc1)Cl 34a_100000687864_200011996143 [0,2,0,0,0,0|2,0,0]=4 7408 B17R1.1703 CCCC(CC)OCC(O)c1ccc(cc1)Cl 7a_100000687864_200011996143 [0,2,0,0,0,0|2,0,0]=4 7409 B17R1.1703 CCCC(CC)OC[C@H](O)c1ccc(cc1)F 34a_100000687864_100000720402 [0,2,0,0,0,0|2,0,0]=4 7410 B17R1.1703 CCCC(CC)OC[C@H](O)c1ccc(cc1)F 7a_100000687864_100000720402 [0,2,0,0,0,0|2,0,0]=4 7411 B17R1.1703 CCCC(CC)SCC(O)c1ccc(cc1)Cl 62a_100011219200_200011996143 [0,2,0,0,0,0|2,0,0]=4 7412 B17R1.1703 CCCC(CC)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100011219200 [0,2,0,0,0,0|2,0,0]=4 7413 B17R1.1703 CCCC(CC)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011219200 [0,2,0,0,0,0|2,0,0]=4 7414 B17R1.1703 CCCC(CC)SC[C@H](O)c1ccc(cc1)F 62a_100011219200_100000720402 [0,2,0,0,0,0|2,0,0]=4 7415 B17R1.1703 CCC[C@@H](CO)NCC(=O)c1ccc(cc1)O 34a_100000732646_100009814261 [0,2,0,0,0,0|0,0,2]=4 7416 B17R1.1703 CCC[C@@H](CO)NCC(O)c1ccc(cc1)Cl 2230a_100000732646_200011996143 [0,2,0,0,0,0|1,0,0]=3 7417 B17R1.1703 CCC[C@@H](CO)NCC(O)c1ccc(cc1)Cl 34a_100000732646_200011996143 [0,2,0,0,0,0|1,0,0]=3 7418 B17R1.1703 CCC[C@@H](CO)NC[C@H](O)c1ccc(cc1)F 2230a_100000732646_100000720402 [0,2,0,0,0,0|1,0,0]=3 7419 B17R1.1703 CCC[C@@H](CO)NC[C@H](O)c1ccc(cc1)F 34a_100000732646_100000720402 [0,2,0,0,0,0|1,0,0]=3 7420 B17R1.1703 COCC(CO)NCC(O)c1ccc(cc1)Cl 2230a_100000724102_200011996143 [0,2,0,0,0,0|2,0,0]=4 7421 B17R1.1703 COCC(CO)NCC(O)c1ccc(cc1)Cl 34a_100000724102_200011996143 [0,2,0,0,0,0|2,0,0]=4 7422 B17R1.1703 COCC(CO)NC[C@H](O)c1ccc(cc1)F 2230a_100000724102_100000720402 [0,2,0,0,0,0|2,0,0]=4 7423 B17R1.1703 COCC(CO)NC[C@H](O)c1ccc(cc1)F 34a_100000724102_100000720402 [0,2,0,0,0,0|2,0,0]=4 7424 B17R1.6622 CCCC(=O)NCC(O)c1ccc(cc1)OC 240690a_100000738651_100000211992 [0,2,0,0,0,0|0,0,1]=3 7425 B17R1.6622 CCCC(=O)NCC(O)c1ccc(cc1)OC 527a_100000738651_100000211992 [0,2,0,0,0,0|0,0,1]=3 7426 B17R1.6622 CCCC(C)NCC(=O)c1ccc(cc1)OC 2230a_100000741246_100000212054 [0,2,0,0,0,0|0,0,2]=4 7427 B17R1.6622 CCCC(C)NCC(O)c1ccc(cc1)OC 2230a_100000738651_100000766640 [0,2,0,0,0,0|0,0,0]=2 7428 B17R1.6622 CCCC(C)NCC(O)c1ccc(cc1)OC 270004a_100000738651_100000211909 [0,2,0,0,0,0|0,0,0]=2 7429 B17R1.6622 CCCC(C)NCC(O)c1ccc(cc1)OC 34a_100000738651_100000766640 [0,2,0,0,0,0|0,0,0]=2 7430 B17R1.6622 CCCC(C)OCC(N)c1ccc(cc1)OC 34a_100000751956_100000766640 [0,2,0,0,0,0|2,0,0]=4 7431 B17R1.6622 CCNC(=O)NCC(O)c1ccc(cc1)OC 2708a_100015525214_100000738651 [0,2,0,0,0,0|1,0,1]=4 7432 B17R1.6622 CCNC(=O)NCC(O)c1ccc(cc1)OC 273464a_100015525214_100000738651 [0,2,0,0,0,0|1,0,1]=4 7433 B17R1.6622 CCNC(=O)NCC(O)c1ccc(cc1)OC 512a_100015525214_100000738651 [0,2,0,0,0,0|1,0,1]=4 7434 B17R1.6622 COCC(=O)NCC(O)c1ccc(cc1)OC 240690a_100000738651_100000210968 [0,2,0,0,0,0|1,0,1]=4 7435 B17R1.6622 COCC(=O)NCC(O)c1ccc(cc1)OC 527a_100000738651_100000210968 [0,2,0,0,0,0|1,0,1]=4 7436 B17R1.6622 COCC(C)NCC(O)c1ccc(cc1)OC 2230a_100000738651_100000765312 [0,2,0,0,0,0|1,0,0]=3 7437 B17R1.6622 COCC(C)NCC(O)c1ccc(cc1)OC 270004a_100000738651_100000749346 [0,2,0,0,0,0|1,0,0]=3 7438 B17R1.6622 COCC(C)NCC(O)c1ccc(cc1)OC 34a_100000738651_100000765312 [0,2,0,0,0,0|1,0,0]=3 7439 B17R1.6622 COc1ccc(cc1)C(O)CNC(=O)CCO 240690a_100000738651_100011216618 [0,2,0,0,0,0|1,0,1]=4 7440 B17R1.6622 COc1ccc(cc1)C(O)CNC(=O)CSC 240690a_100000738651_100000184570 [0,2,0,0,0,0|1,0,1]=4 7441 B17R1.6622 COc1ccc(cc1)C(O)CNC(=O)CSC 527a_100000738651_100000184570 [0,2,0,0,0,0|1,0,1]=4 7442 B17R1.6622 COc1ccc(cc1)C(O)CNC(C)CC#N 2230a_100000738651_100009813641 [0,2,0,0,0,0|1,0,1]=4 7443 B17R1.6622 COc1ccc(cc1)C(O)CNC(C)CCO 2230a_100000738651_100009893172 [0,2,0,0,0,0|1,0,0]=3 7444 B17R1.6622 COc1ccc(cc1)C(O)CNC(C)CCO 34a_100000738651_100009893172 [0,2,0,0,0,0|1,0,0]=3 7445 B17R1.6622 COc1ccc(cc1)C(O)CNC(C)CSC 270004a_100000738651_100011216314 [0,2,0,0,0,0|1,0,0]=3 7446 B17R1.6636 CCCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000211992 [0,2,0,0,0,0|0,0,1]=3 7447 B17R1.6636 CCCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000766640 [0,2,0,0,0,0|0,0,0]=2 7448 B17R1.6636 CCCC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000741246_100000761251 [0,2,0,0,0,0|1,0,0]=3 7449 B17R1.6636 CCCC(C)OC[C@@H](O)c1ccc(c(c1)F)F 34a_100000764384_100000761251 [0,2,0,0,0,0|2,0,0]=4 7450 B17R1.6636 CCCC(C)OC[C@@H](O)c1ccc(c(c1)F)F 7a_100000764384_100000761251 [0,2,0,0,0,0|2,0,0]=4 7451 B17R1.6636 CCCC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000766640 [0,2,0,0,0,0|2,0,0]=4 7452 B17R1.6636 CCCC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000766640_100000761251 [0,2,0,0,0,0|2,0,0]=4 7453 B17R1.6636 COCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210968 [0,2,0,0,0,0|1,0,1]=4 7454 B17R1.6636 COCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000765312 [0,2,0,0,0,0|1,0,0]=3 7455 B17R1.6636 COC[C@@H](C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000764878_100000761251 [0,2,0,0,0,0|2,0,0]=4 7456 B17R1.6636 CSCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000184570 [0,2,0,0,0,0|1,0,1]=4 7457 B17R1.6636 C[C@H](CCO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000706166_100000761251 [0,2,0,0,0,0|2,0,0]=4 7458 B17R1.6636 C[C@H](CCO)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100000706166_100000761251 [0,2,0,0,0,0|2,0,0]=4 7459 B17R1.18521 CCCC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100000748436_200011996143 [0,2,0,0,0,0|2,0,0]=4 7460 B17R1.18521 CCCC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100000748436_100000720402 [0,2,0,0,0,0|2,0,0]=4 7461 B17R1.18521 CCCS(=O)(=O)NCC(C)c1ccc(cc1)O 270084a_200015188644_100000211391 [0,2,0,0,0,0|2,0,0]=4 7462 B17R1.18521 CCCS(=O)(=O)NCC(C)c1ccc(cc1)O 274078a_200015188644_100000211391 [0,2,0,0,0,0|2,0,0]=4 7463 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)Br 270084a_100020626992_100000211391 [0,2,0,0,0,0|2,0,0]=4 7464 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)Br 274078a_100020626992_100000211391 [0,2,0,0,0,0|2,0,0]=4 7465 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)Br 40a_100020626992_100000054278 [0,2,0,0,0,0|2,0,0]=4 7466 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)C 270084a_200020610344_100000211391 [0,2,0,0,0,0|2,0,0]=4 7467 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)C 274078a_200020610344_100000211391 [0,2,0,0,0,0|2,0,0]=4 7468 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)C 40a_200020610344_100000054278 [0,2,0,0,0,0|2,0,0]=4 7469 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)Cl 270084a_100000736658_100000211391 [0,2,0,0,0,0|2,0,0]=4 7470 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)Cl 274078a_100000736658_100000211391 [0,2,0,0,0,0|2,0,0]=4 7471 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)Cl 40a_100000736658_100000054278 [0,2,0,0,0,0|2,0,0]=4 7472 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)O 270084a_100000067596_100000211391 [0,2,0,0,0,0|1,0,0]=3 7473 B17R1.18521 CCCS(=O)(=O)NCC(O)c1ccc(cc1)O 274078a_100000067596_100000211391 [0,2,0,0,0,0|1,0,0]=3 7474 B17R1.18521 COCC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000752728_200011996143 [0,2,0,0,0,0|2,0,0]=4 7475 B17R1.18521 COCC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000752728_100000720402 [0,2,0,0,0,0|2,0,0]=4 7476 B17R1.18521 CSCC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000759623_200011996143 [0,2,0,0,0,0|2,0,0]=4 7477 B17R1.18521 CSCC(C)(C)NCC(O)c1ccc(cc1)Cl 7a_100000759623_200011996143 [0,2,0,0,0,0|2,0,0]=4 7478 B17R1.18521 CSCC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000759623_100000720402 [0,2,0,0,0,0|2,0,0]=4 7479 B17R1.18521 CSCC(C)(C)NC[C@H](O)c1ccc(cc1)F 7a_100000759623_100000720402 [0,2,0,0,0,0|2,0,0]=4 7480 B17R1.18521 O=S(=O)(CCBr)NCC(O)c1ccc(cc1)O 270084a_100000067596_100000731045 [0,2,0,0,0,0|2,0,0]=4 7481 B17R1.18521 O=S(=O)(CCBr)NCC(O)c1ccc(cc1)O 274078a_100000067596_100000731045 [0,2,0,0,0,0|2,0,0]=4 7482 B17R1.18521 O=S(=O)(CCCl)NCC(O)c1ccc(cc1)O 270084a_100000067596_100000184613 [0,2,0,0,0,0|2,0,0]=4 7483 B17R1.18521 O=S(=O)(CCCl)NCC(O)c1ccc(cc1)O 274078a_100000067596_100000184613 [0,2,0,0,0,0|2,0,0]=4 7484 B17R1.23780 CC(C)CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100000210554 [0,2,0,0,0,0|1,0,1]=4 7485 B17R1.23780 CC(C)CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100000210554 [0,2,0,0,0,0|1,0,1]=4 7486 B17R1.23780 CC(C)CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210554 [0,2,0,0,0,0|1,0,1]=4 7487 B17R1.23780 CC(C)CC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210554 [0,2,0,0,0,0|1,0,1]=4 7488 B17R1.23780 CC(C)CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000210554 [0,2,0,0,0,0|1,0,1]=4 7489 B17R1.23780 CC(C)CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210554 [0,2,0,0,0,0|1,0,1]=4 7490 B17R1.23780 CC(C)CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210554 [0,2,0,0,0,0|1,0,1]=4 7491 B17R1.23780 CC(C)CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210554 [0,2,0,0,0,0|0,0,1]=3 7492 B17R1.23780 CC(C)CC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100000731052 [0,2,0,0,0,0|1,0,0]=3 7493 B17R1.23780 CC(C)CC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000731052 [0,2,0,0,0,0|1,0,0]=3 7494 B17R1.23780 CC(C)CC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000731052 [0,2,0,0,0,0|1,0,0]=3 7495 B17R1.23780 CC(C)CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000692259_200011996143 [0,2,0,0,0,0|1,0,0]=3 7496 B17R1.23780 CC(C)CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000731052 [0,2,0,0,0,0|1,0,0]=3 7497 B17R1.23780 CC(C)CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000731052 [0,2,0,0,0,0|1,0,0]=3 7498 B17R1.23780 CC(C)CC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000731052 [0,2,0,0,0,0|0,0,0]=2 7499 B17R1.23780 CC(C)CC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000692259_100000720402 [0,2,0,0,0,0|1,0,0]=3 7500 B17R1.23780 CC(C)CC(C)OCC(O)c1ccc(cc1)Cl 34a_100000211805_200011996143 [0,2,0,0,0,0|2,0,0]=4 7501 B17R1.23780 CC(C)CC(C)OCC(O)c1ccc(cc1)Cl 7a_100000211805_200011996143 [0,2,0,0,0,0|2,0,0]=4 7502 B17R1.23780 CC(C)CC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000211805_100000720402 [0,2,0,0,0,0|2,0,0]=4 7503 B17R1.23780 CC(C)CC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000211805_100000720402 [0,2,0,0,0,0|2,0,0]=4 7504 B17R1.23780 CC(C)CC(C)SCC(O)c1ccc(cc1)Cl 62a_100000731052_200011996143 [0,2,0,0,0,0|2,0,0]=4 7505 B17R1.23780 CC(C)CC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000731052 [0,2,0,0,0,0|2,0,0]=4 7506 B17R1.23780 CC(C)CC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000731052 [0,2,0,0,0,0|2,0,0]=4 7507 B17R1.23780 CC(C)CC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000731052_100000720402 [0,2,0,0,0,0|2,0,0]=4 7508 B17R1.23780 CC(C)NC(=O)NCC(O)c1ccc(cc1)O 2708a_100138425928_100000067596 [0,2,0,0,0,0|1,0,1]=4 7509 B17R1.23780 CC(C)NC(=O)NCC(O)c1ccc(cc1)O 273464a_100138425928_100000067596 [0,2,0,0,0,0|1,0,1]=4 7510 B17R1.23780 CC(C)NC(=O)NCC(O)c1ccc(cc1)O 512a_100138425928_100000067596 [0,2,0,0,0,0|1,0,1]=4 7511 B17R1.23780 CC(CNC(=O)C[C@@H](C)O)c1ccc(cc1)O 240690a_200015188644_100011933948 [0,2,0,0,0,0|1,0,1]=4 7512 B17R1.23780 CN(C)CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000750896 [0,2,0,0,0,0|1,0,1]=4 7513 B17R1.23780 C[C@@H](O)CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100011933948 [0,2,0,0,0,0|1,0,1]=4 7514 B17R1.23780 C[C@@H](O)CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100011933948 [0,2,0,0,0,0|1,0,1]=4 7515 B17R1.23780 C[C@@H](O)CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100011933948 [0,2,0,0,0,0|0,0,1]=3 7516 B17R1.23780 C[S+](C)CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_200159257847 [0,2,0,0,0,0|1,0,1]=4 7517 B17R1.23780 Cc1ccc(cc1)C(O)CNC(=O)CC(C)C 240690a_200020610344_100000210554 [0,2,0,0,0,0|1,0,1]=4 7518 B17R1.23780 Cc1ccc(cc1)C(O)CNC(=O)CC(C)C 527a_200020610344_100000210554 [0,2,0,0,0,0|1,0,1]=4 7519 B17R1.23780 Cc1ccc(cc1)C(O)CNC(=O)C[C@@H](C)O 240690a_200020610344_100011933948 [0,2,0,0,0,0|1,0,1]=4 7520 B17R1.23780 Cc1ccc(cc1)C(O)CNC(C)CC(C)C 2230a_200020610344_100000731052 [0,2,0,0,0,0|1,0,0]=3 7521 B17R1.23780 Cc1ccc(cc1)C(O)CNC(C)CC(C)C 34a_200020610344_100000731052 [0,2,0,0,0,0|1,0,0]=3 7522 B17R1.50037 CCCC(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000741246_100000761269 [0,2,0,0,0,0|1,0,0]=3 7523 B17R1.50037 CCCC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000741246_100000761231 [0,2,0,0,0,0|1,0,0]=3 7524 B17R1.50037 CCCC(C)OC[C@@H](O)c1ccc(cc1F)F 34a_100000764384_100000761269 [0,2,0,0,0,0|2,0,0]=4 7525 B17R1.50037 CCCC(C)OC[C@@H](O)c1ccc(cc1F)F 7a_100000764384_100000761269 [0,2,0,0,0,0|2,0,0]=4 7526 B17R1.50037 CCCC(C)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000764384_100000761231 [0,2,0,0,0,0|2,0,0]=4 7527 B17R1.50037 CCCC(C)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000764384_100000761231 [0,2,0,0,0,0|2,0,0]=4 7528 B17R1.50037 CCCC(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000766640 [0,2,0,0,0,0|2,0,0]=4 7529 B17R1.50037 CCCC(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000766640_100000761269 [0,2,0,0,0,0|2,0,0]=4 7530 B17R1.50037 CCCC(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000766640 [0,2,0,0,0,0|2,0,0]=4 7531 B17R1.50037 CCCC(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000766640_100000761231 [0,2,0,0,0,0|2,0,0]=4 7532 B17R1.50037 COC[C@@H](C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000764878_100000761269 [0,2,0,0,0,0|2,0,0]=4 7533 B17R1.50037 COC[C@@H](C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000764878_100000761231 [0,2,0,0,0,0|2,0,0]=4 7534 B17R1.50037 C[C@H](CCO)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000706166_100000761269 [0,2,0,0,0,0|2,0,0]=4 7535 B17R1.50037 C[C@H](CCO)NC[C@@H](O)c1ccc(cc1F)F 34a_100000706166_100000761269 [0,2,0,0,0,0|2,0,0]=4 7536 B17R1.50037 C[C@H](CCO)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000706166_100000761231 [0,2,0,0,0,0|2,0,0]=4 7537 B17R1.50037 C[C@H](CCO)NC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000706166_100000761231 [0,2,0,0,0,0|2,0,0]=4 7538 B17R1.1069 C=C(C)CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000730704 [0,2,0,0,0,0|1,0,1]=4 7539 B17R1.1069 C=C(C)CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000730704 [0,2,0,0,0,0|1,0,1]=4 7540 B17R1.1069 CC(C)CCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100011214892 [0,2,0,0,0,0|1,0,1]=4 7541 B17R1.1069 CC(C)CCNC(=O)C(C)c1ccc(cc1)O 240690a_100000210545_100000031422 [0,2,0,0,0,0|1,0,1]=4 7542 B17R1.1069 CC(C)CCNC(=O)C(O)c1ccc(cc1)Br 240690a_100000210545_100000756554 [0,2,0,0,0,0|1,0,1]=4 7543 B17R1.1069 CC(C)CCNC(=O)C(O)c1ccc(cc1)F 240690a_100000210545_100000209909 [0,2,0,0,0,0|1,0,1]=4 7544 B17R1.1069 CC(C)CCNC(=O)C(O)c1ccc(cc1)O 240690a_100000210545_100011215213 [0,2,0,0,0,0|0,0,1]=3 7545 B17R1.1069 CC(C)CCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000210545_100009817493 [0,2,0,0,0,0|1,0,1]=4 7546 B17R1.1069 CC(C)CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210312 [0,2,0,0,0,0|1,0,0]=3 7547 B17R1.1069 CC(C)CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210312 [0,2,0,0,0,0|1,0,0]=3 7548 B17R1.1069 CC(C)CNNC(=O)C(O)c1ccc(cc1)O 22a_100000696102_100011215213 [0,2,0,0,0,0|1,0,1]=4 7549 B17R1.1069 CC(C)OCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000709892 [0,2,0,0,0,0|2,0,0]=4 7550 B17R1.1069 CC(C)OCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000709892 [0,2,0,0,0,0|2,0,0]=4 7551 B17R1.1069 CC(O)CCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000718107 [0,2,0,0,0,0|1,0,1]=4 7552 B17R1.1069 CC(O)CCNC(=O)C(C)c1ccc(cc1)O 240690a_200000755665_100000031422 [0,2,0,0,0,0|1,0,1]=4 7553 B17R1.1069 CC(O)CCNC(=O)C(O)c1ccc(cc1)Br 240690a_200000755665_100000756554 [0,2,0,0,0,0|1,0,1]=4 7554 B17R1.1069 CC(O)CCNC(=O)C(O)c1ccc(cc1)F 240690a_200000755665_100000209909 [0,2,0,0,0,0|1,0,1]=4 7555 B17R1.1069 CC(O)CCNC(=O)C(O)c1ccc(cc1)O 240690a_200000755665_100011215213 [0,2,0,0,0,0|0,0,1]=3 7556 B17R1.1069 CC(O)CCNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_200000755665_100009817493 [0,2,0,0,0,0|1,0,1]=4 7557 B17R1.1069 CC(O)CCNC(C)C(=O)c1ccc(cc1)O 2230a_200000755665_200010205864 [0,2,0,0,0,0|0,0,2]=4 7558 B17R1.1069 CC(O)CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100012276601 [0,2,0,0,0,0|1,0,0]=3 7559 B17R1.1069 CC(O)CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100012276601 [0,2,0,0,0,0|1,0,0]=3 7560 B17R1.1069 CN(C)CCNC(=O)C(O)c1ccc(cc1)O 240690a_100000210585_100011215213 [0,2,0,0,0,0|1,0,1]=4 7561 B17R1.1069 Cc1ccc(cc1)[C@@H](O)C(=O)NCCC(C)C 240690a_100000210545_100009815954 [0,2,0,0,0,0|1,0,1]=4 7562 B17R1.1069 Cc1ccc(cc1)[C@@H](O)C(=O)NCCC(C)O 240690a_200000755665_100009815954 [0,2,0,0,0,0|1,0,1]=4 7563 B17R1.1284 CCCCC(C)C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200011215066 [0,2,0,0,0,0|1,0,1]=4 7564 B17R1.1284 CCCCN(C)C(=O)C(C)c1ccc(cc1)O 240690a_100000207549_100000031422 [0,2,0,0,0,0|1,0,1]=4 7565 B17R1.1284 CCCCN(C)C(=O)C(O)c1ccc(cc1)Br 240690a_100000207549_100000756554 [0,2,0,0,0,0|1,0,1]=4 7566 B17R1.1284 CCCCN(C)C(=O)C(O)c1ccc(cc1)F 240690a_100000207549_100000209909 [0,2,0,0,0,0|1,0,1]=4 7567 B17R1.1284 CCCCN(C)C(=O)C(O)c1ccc(cc1)O 240690a_100000207549_100011215213 [0,2,0,0,0,0|0,0,1]=3 7568 B17R1.1284 CCCCN(C)C(=O)[C@H](O)c1ccc(cc1)C 240690a_100000207549_100009815954 [0,2,0,0,0,0|1,0,1]=4 7569 B17R1.1284 CCCCN(C)C(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000207549_100009817493 [0,2,0,0,0,0|1,0,1]=4 7570 B17R1.1284 CCCCN(C)C(C)C(=O)c1ccc(cc1)O 2230a_100000207549_200010205864 [0,2,0,0,0,0|0,0,2]=4 7571 B17R1.1284 CCCCN(C)C(C)C(=O)c1ccc(cc1)O 269982a_100000207549_200010205864 [0,2,0,0,0,0|0,0,2]=4 7572 B17R1.1284 CN(CCCO)C(=O)C(O)c1ccc(cc1)O 240690a_100000213112_100011215213 [0,2,0,0,0,0|1,0,1]=4 7573 B17R1.1284 COCCN(C)C(=O)C(O)c1ccc(cc1)O 240690a_100000743101_100011215213 [0,2,0,0,0,0|1,0,1]=4 7574 B17R1.1284 CSCCN(C)C(=O)C(O)c1ccc(cc1)O 240690a_100000686725_100011215213 [0,2,0,0,0,0|1,0,1]=4 7575 B17R1.1838 CCCCNC(=O)C(C)(C)c1ccc(cc1)O 240690a_100000102301_100000721645 [0,2,0,0,0,0|1,0,1]=4 7576 B17R1.1838 CCCCNC(=O)C(C)(O)c1ccc(cc1)C 240690a_100000102301_100011434902 [0,2,0,0,0,0|1,0,1]=4 7577 B17R1.1838 CCCCNC(=O)C(C)(O)c1ccc(cc1)Cl 240690a_100000102301_100000695402 [0,2,0,0,0,0|1,0,1]=4 7578 B17R1.2424 CC(CO)CNC(=O)C(O)c1ccc(cc1)O 240690a_100000744482_100011215213 [0,2,0,0,0,0|1,0,1]=4 7579 B17R1.2424 CCC(C)CNC(=O)C(C)c1ccc(cc1)O 240690a_100020588543_100000031422 [0,2,0,0,0,0|1,0,1]=4 7580 B17R1.2424 CCC(C)CNC(=O)C(O)c1ccc(cc1)Br 240690a_100020588543_100000756554 [0,2,0,0,0,0|1,0,1]=4 7581 B17R1.2424 CCC(C)CNC(=O)C(O)c1ccc(cc1)F 240690a_100020588543_100000209909 [0,2,0,0,0,0|1,0,1]=4 7582 B17R1.2424 CCC(C)CNC(=O)C(O)c1ccc(cc1)O 240690a_100020588543_100011215213 [0,2,0,0,0,0|0,0,1]=3 7583 B17R1.2424 CCC(C)CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100020588543_100009815954 [0,2,0,0,0,0|1,0,1]=4 7584 B17R1.2424 CCC(C)CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100020588543_100009817493 [0,2,0,0,0,0|1,0,1]=4 7585 B17R1.2424 CCC(C)CNC(C)C(=O)c1ccc(cc1)O 2230a_100020588543_200010205864 [0,2,0,0,0,0|0,0,2]=4 7586 B17R1.2424 CCC(C)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000748023 [0,2,0,0,0,0|1,0,0]=3 7587 B17R1.2424 CCC(C)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 270004a_200009830414_100000243153 [0,2,0,0,0,0|1,0,0]=3 7588 B17R1.2424 CCC(C)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000748023 [0,2,0,0,0,0|1,0,0]=3 7589 B17R1.2424 CCC(C)NNC(=O)C(O)c1ccc(cc1)O 22a_100000718999_100011215213 [0,2,0,0,0,0|1,0,1]=4 7590 B17R1.2424 CCC(O)CNC(=O)C(C)c1ccc(cc1)O 240690a_100011218483_100000031422 [0,2,0,0,0,0|1,0,1]=4 7591 B17R1.2424 CCC(O)CNC(=O)C(O)c1ccc(cc1)Br 240690a_100011218483_100000756554 [0,2,0,0,0,0|1,0,1]=4 7592 B17R1.2424 CCC(O)CNC(=O)C(O)c1ccc(cc1)F 240690a_100011218483_100000209909 [0,2,0,0,0,0|1,0,1]=4 7593 B17R1.2424 CCC(O)CNC(=O)C(O)c1ccc(cc1)O 240690a_100011218483_100011215213 [0,2,0,0,0,0|0,0,1]=3 7594 B17R1.2424 CCC(O)CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100011218483_100009815954 [0,2,0,0,0,0|1,0,1]=4 7595 B17R1.2424 CCC(O)CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100011218483_100009817493 [0,2,0,0,0,0|1,0,1]=4 7596 B17R1.2424 CCC(O)CNC(C)C(=O)c1ccc(cc1)O 2230a_100011218483_200010205864 [0,2,0,0,0,0|0,0,2]=4 7597 B17R1.2424 CCC(O)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011218378 [0,2,0,0,0,0|1,0,0]=3 7598 B17R1.2424 CCC(O)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011218378 [0,2,0,0,0,0|1,0,0]=3 7599 B17R1.2424 CC[C@H](C)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100009816398 [0,2,0,0,0,0|1,0,0]=3 7600 B17R1.2424 CC[C@H](C)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100009816398 [0,2,0,0,0,0|1,0,0]=3 7601 B17R1.2424 CO[C@H](C)CNC(=O)C(O)c1ccc(cc1)O 240690a_100020591295_100011215213 [0,2,0,0,0,0|1,0,1]=4 7602 B17R1.2424 C[C@@H](CO)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000059175 [0,2,0,0,0,0|2,0,0]=4 7603 B17R1.2424 C[C@@H](CO)CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000059175 [0,2,0,0,0,0|2,0,0]=4 7604 B17R1.2424 C[C@@H](NCC(O)CO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011219619 [0,2,0,0,0,0|2,0,0]=4 7605 B17R1.2424 C[C@@H](NCC(O)CO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011219619 [0,2,0,0,0,0|2,0,0]=4 7606 B17R1.2424 C[C@@H](NC[C@@H](O)CF)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100015614560 [0,2,0,0,0,0|2,0,0]=4 7607 B17R1.2424 C[C@@H](NC[C@@H](O)CF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100015614560 [0,2,0,0,0,0|2,0,0]=4 7608 B17R1.2424 C[C@@H](NC[C@@H](O)CO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100009815848 [0,2,0,0,0,0|2,0,0]=4 7609 B17R1.2424 C[C@@H](NC[C@@H](O)CO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100009815848 [0,2,0,0,0,0|2,0,0]=4 7610 B17R1.2424 O=C(NC[C@@H](F)CO)C(O)c1ccc(cc1)O 240690a_100015665980_100011215213 [0,2,0,0,0,0|1,0,1]=4 7611 B17R1.6745 CCCCCC(=O)C(O)c1ccc(cc1)OC 1458a_100011218652_100000210326 [0,2,0,0,0,0|1,0,1]=4 7612 B17R1.6745 CCCCNC(=O)C(C)c1ccc(cc1)OC 11a_100000102301_100000753396 [0,2,0,0,0,0|1,0,1]=4 7613 B17R1.6745 CCCCNC(=O)C(C)c1ccc(cc1)OC 1626a_100000102301_100000753396 [0,2,0,0,0,0|1,0,1]=4 7614 B17R1.6745 CCCCNC(=O)C(C)c1ccc(cc1)OC 240690a_100000102301_100000753396 [0,2,0,0,0,0|1,0,1]=4 7615 B17R1.6745 CCCCNC(=O)C(C)c1ccc(cc1)OC 527a_100000102301_100000753396 [0,2,0,0,0,0|1,0,1]=4 7616 B17R1.6745 CCCCNC(=O)C(O)c1ccc(cc1)OC 240690a_100000102301_100011218652 [0,2,0,0,0,0|0,0,1]=3 7617 B17R1.6745 CCCCNC(C)C(=O)c1ccc(cc1)OC 2230a_100000102301_100000742912 [0,2,0,0,0,0|0,0,2]=4 7618 B17R1.6745 CCCCNC(C)C(=O)c1ccc(cc1)OC 7a_106832991798_100000742912 [0,2,0,0,0,0|0,0,2]=4 7619 B17R1.6745 CCCNNC(=O)C(O)c1ccc(cc1)OC 22a_100000740057_100011218652 [0,2,0,0,0,0|1,0,1]=4 7620 B17R1.6745 COCCNC(=O)C(O)c1ccc(cc1)OC 240690a_100000209980_100011218652 [0,2,0,0,0,0|1,0,1]=4 7621 B17R1.6745 COc1ccc(cc1)C(O)C(=O)NCCCF 240690a_100015189416_100011218652 [0,2,0,0,0,0|1,0,1]=4 7622 B17R1.6745 COc1ccc(cc1)C(O)C(=O)NCCCO 240690a_100000182051_100011218652 [0,2,0,0,0,0|1,0,1]=4 7623 B17R1.6745 COc1ccc(cc1)C(O)C(=O)NCCSC 240690a_100020590264_100011218652 [0,2,0,0,0,0|1,0,1]=4 7624 B17R1.6758 CCCCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210326 [0,2,0,0,0,0|1,0,1]=4 7625 B17R1.6758 CCCCNC(=O)C(O)c1ccc(c(c1)F)F 240690a_100000102301_100011217530 [0,2,0,0,0,0|1,0,1]=4 7626 B17R1.6758 CCCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000102301_200000032065 [0,2,0,0,0,0|0,0,1]=3 7627 B17R1.6758 COCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000209980_200000032065 [0,2,0,0,0,0|1,0,1]=4 7628 B17R1.6758 CSCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100020590264_200000032065 [0,2,0,0,0,0|1,0,1]=4 7629 B17R1.6758 O=C(NCCCF)C(O)c1ccc(c(c1)O)O 240690a_100015189416_200000032065 [0,2,0,0,0,0|1,0,1]=4 7630 B17R1.50293 CCCCNC(=O)C(O)c1ccc(cc1F)Br 240690a_100000102301_100011356516 [0,2,0,0,0,0|1,0,1]=4 7631 B17R1.50293 CCCCNC(=O)C(O)c1ccc(cc1F)F 240690a_100000102301_100011216397 [0,2,0,0,0,0|1,0,1]=4 7632 B17R1.24 C#CCCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000731252 [0,2,0,0,0,0|0,0,1]=3 7633 B17R1.24 C#CCCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100011215417 [0,2,0,0,0,0|0,0,1]=3 7634 B17R1.24 C=CCCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100011713584 [0,2,0,0,0,0|0,0,1]=3 7635 B17R1.24 C=CCCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000757094 [0,2,0,0,0,0|0,0,1]=3 7636 B17R1.24 C=COCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000039644 [0,2,0,0,0,0|0,0,2]=4 7637 B17R1.24 C=COCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000039644 [0,2,0,0,0,0|0,0,2]=4 7638 B17R1.24 CC/C=C\CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100103147603 [0,2,0,0,0,0|0,0,1]=3 7639 B17R1.24 CC/C=C\CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100103147603 [0,2,0,0,0,0|0,0,1]=3 7640 B17R1.24 CCC#CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100009813939 [0,2,0,0,0,0|0,0,1]=3 7641 B17R1.24 CCCCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000212188_200011996143 [0,2,0,0,0,0|2,0,0]=4 7642 B17R1.24 CCCCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000212188_100000720402 [0,2,0,0,0,0|2,0,0]=4 7643 B17R1.24 CCCCCC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200011218191 [0,2,0,0,0,0|2,0,0]=4 7644 B17R1.24 CCCCCC(C)N[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000211708 [0,2,0,0,0,0|2,0,0]=4 7645 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000223495_100009814261 [0,2,0,0,0,0|0,0,2]=4 7646 B17R1.24 CCCCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000223495_200011996143 [0,2,0,0,0,0|1,0,0]=3 7647 B17R1.24 CCCCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210326 [0,2,0,0,0,0|0,0,0]=2 7648 B17R1.24 CCCCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210215 [0,2,0,0,0,0|0,0,0]=2 7649 B17R1.24 CCCCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000223495_100000720402 [0,2,0,0,0,0|1,0,0]=3 7650 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000182744 [0,2,0,0,0,0|0,0,2]=4 7651 B17R1.24 CCCCNC(=O)CC(C)c1ccc(cc1)C 11a_100000102301_100011240733 [0,2,0,0,0,0|2,0,0]=4 7652 B17R1.24 CCCCNC(=O)CC(C)c1ccc(cc1)C 1626a_100000102301_100011240733 [0,2,0,0,0,0|2,0,0]=4 7653 B17R1.24 CCCCNC(=O)CC(C)c1ccc(cc1)C 240690a_100000102301_100011240733 [0,2,0,0,0,0|2,0,0]=4 7654 B17R1.24 CCCCNC(=O)CC(C)c1ccc(cc1)C 527a_100000102301_100011240733 [0,2,0,0,0,0|2,0,0]=4 7655 B17R1.24 CCCCNC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000182744 [0,2,0,0,0,0|2,0,0]=4 7656 B17R1.24 CCCCNC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000182744 [0,2,0,0,0,0|2,0,0]=4 7657 B17R1.24 CCCCNC(=O)N[C@@H](C)c1ccc(cc1)O 2708a_100161106496_100000102301 [0,2,0,0,0,0|1,0,1]=4 7658 B17R1.24 CCCCNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100000102301_100161106496 [0,2,0,0,0,0|1,0,1]=4 7659 B17R1.24 CCCCNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100161106496_100000102301 [0,2,0,0,0,0|1,0,1]=4 7660 B17R1.24 CCCCNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_100000102301_100161106496 [0,2,0,0,0,0|1,0,1]=4 7661 B17R1.24 CCCCNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_100161106496_100000102301 [0,2,0,0,0,0|1,0,1]=4 7662 B17R1.24 CCCOCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000745993_200011996143 [0,2,0,0,0,0|2,0,0]=4 7663 B17R1.24 CCCOCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000745993_100000720402 [0,2,0,0,0,0|2,0,0]=4 7664 B17R1.24 CCCSCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000217233_200011996143 [0,2,0,0,0,0|2,0,0]=4 7665 B17R1.24 CCCSCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000217233_100000720402 [0,2,0,0,0,0|2,0,0]=4 7666 B17R1.24 CCOCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000749530_200011996143 [0,2,0,0,0,0|2,0,0]=4 7667 B17R1.24 CCOCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000749530_100000720402 [0,2,0,0,0,0|2,0,0]=4 7668 B17R1.24 CCOCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100011215890 [0,2,0,0,0,0|0,0,0]=2 7669 B17R1.24 CCOCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100011215890 [0,2,0,0,0,0|0,0,0]=2 7670 B17R1.24 CCSCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000230768_200011996143 [0,2,0,0,0,0|2,0,0]=4 7671 B17R1.24 CCSCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000230768_100000720402 [0,2,0,0,0,0|2,0,0]=4 7672 B17R1.24 CCSCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000757381 [0,2,0,0,0,0|0,0,0]=2 7673 B17R1.24 CCSCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000757381 [0,2,0,0,0,0|0,0,0]=2 7674 B17R1.24 CN(CC#CCO)CC(O)c1ccc(cc1)O 2230a_100016988945_200000047223 [0,2,0,0,0,0|0,0,2]=4 7675 B17R1.24 CN(CCCC#N)CC(O)c1ccc(cc1)O 2230a_100016988945_100000687738 [0,2,0,0,0,0|0,0,1]=3 7676 B17R1.24 CN(CCCC#N)CC(O)c1ccc(cc1)O 269982a_100016988945_100000687738 [0,2,0,0,0,0|0,0,1]=3 7677 B17R1.24 CN(CCCC=O)CC(O)c1ccc(cc1)O 2230a_100016988945_200011292268 [0,2,0,0,0,0|0,0,1]=3 7678 B17R1.24 CN(CCCC=O)CC(O)c1ccc(cc1)O 269982a_100016988945_200011292268 [0,2,0,0,0,0|0,0,1]=3 7679 B17R1.24 CN(CCCCF)CC(O)c1ccc(cc1)O 2230a_100016988945_100000729493 [0,2,0,0,0,0|0,0,0]=2 7680 B17R1.24 CN(CCCCF)CC(O)c1ccc(cc1)O 269982a_100016988945_100000729493 [0,2,0,0,0,0|0,0,0]=2 7681 B17R1.24 CN(CCCCO)CC(=O)c1ccc(cc1)O 269982a_100000717598_100009814261 [0,2,0,0,0,0|0,0,2]=4 7682 B17R1.24 CN(CCCCO)CC(O)c1ccc(cc1)Cl 2230a_100000717598_200011996143 [0,2,0,0,0,0|1,0,0]=3 7683 B17R1.24 CN(CCCCO)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210776 [0,2,0,0,0,0|0,0,0]=2 7684 B17R1.24 CN(CCCCO)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210776 [0,2,0,0,0,0|0,0,0]=2 7685 B17R1.24 CN(CCCCO)C[C@H](O)c1ccc(cc1)F 2230a_100000717598_100000720402 [0,2,0,0,0,0|1,0,0]=3 7686 B17R1.24 CN(CCSC#N)CC(O)c1ccc(cc1)O 269982a_100016988945_100000034367 [0,2,0,0,0,0|1,0,1]=4 7687 B17R1.24 COCCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000741012_200011996143 [0,2,0,0,0,0|2,0,0]=4 7688 B17R1.24 COCCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000741012_100000720402 [0,2,0,0,0,0|2,0,0]=4 7689 B17R1.24 COCCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000224831_100009814261 [0,2,0,0,0,0|0,0,2]=4 7690 B17R1.24 COCCCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000224831_200011996143 [0,2,0,0,0,0|1,0,0]=3 7691 B17R1.24 COCCCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000740836 [0,2,0,0,0,0|0,0,0]=2 7692 B17R1.24 COCCCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000740836 [0,2,0,0,0,0|0,0,0]=2 7693 B17R1.24 COCCCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000224831_100000720402 [0,2,0,0,0,0|1,0,0]=3 7694 B17R1.24 CSCCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000173376_200011996143 [0,2,0,0,0,0|2,0,0]=4 7695 B17R1.24 CSCCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000173376_100000720402 [0,2,0,0,0,0|2,0,0]=4 7696 B17R1.24 O=C(CCCCO)CC(O)c1ccc(cc1)Cl 1458a_100000695505_200011996143 [0,2,0,0,0,0|2,0,0]=4 7697 B17R1.24 O=C(CCCCO)C[C@H](O)c1ccc(cc1)F 1458a_100000695505_100000720402 [0,2,0,0,0,0|2,0,0]=4 7698 B17R1.856 C=CC(O)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000730141 [0,2,0,0,0,0|0,0,2]=4 7699 B17R1.856 CCC(=O)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000747405 [0,2,0,0,0,0|0,0,1]=3 7700 B17R1.856 CCC(C)CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000708755_200011996143 [0,2,0,0,0,0|2,0,0]=4 7701 B17R1.856 CCC(C)CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000708755_100000720402 [0,2,0,0,0,0|2,0,0]=4 7702 B17R1.856 CCC(C)CN(C)CC(=O)c1ccc(cc1)O 269982a_100000753921_100009814261 [0,2,0,0,0,0|0,0,2]=4 7703 B17R1.856 CCC(C)CN(C)CC(O)c1ccc(cc1)Cl 2230a_100000753921_200011996143 [0,2,0,0,0,0|1,0,0]=3 7704 B17R1.856 CCC(C)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000748023 [0,2,0,0,0,0|0,0,0]=2 7705 B17R1.856 CCC(C)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000748023 [0,2,0,0,0,0|0,0,0]=2 7706 B17R1.856 CCC(C)CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000753921_100000720402 [0,2,0,0,0,0|1,0,0]=3 7707 B17R1.856 CCC(O)CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100011667805_200011996143 [0,2,0,0,0,0|2,0,0]=4 7708 B17R1.856 CCC(O)CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100011667805_100000720402 [0,2,0,0,0,0|2,0,0]=4 7709 B17R1.856 CCC(O)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100011218378 [0,2,0,0,0,0|0,0,0]=2 7710 B17R1.856 CCC(O)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100011218378 [0,2,0,0,0,0|0,0,0]=2 7711 B17R1.856 CC[C@H](C)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100009816398 [0,2,0,0,0,0|0,0,0]=2 7712 B17R1.856 CC[C@H](C)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100009816398 [0,2,0,0,0,0|0,0,0]=2 7713 B17R1.856 CN(CC(O)CO)CC(O)c1ccc(cc1)Cl 2230a_100011216503_200011996143 [0,2,0,0,0,0|2,0,0]=4 7714 B17R1.856 CN(CC(O)CO)CC(O)c1ccc(cc1)O 2230a_100016988945_100011219619 [0,2,0,0,0,0|1,0,0]=3 7715 B17R1.856 CN(CC(O)CO)C[C@H](O)c1ccc(cc1)F 2230a_100011216503_100000720402 [0,2,0,0,0,0|2,0,0]=4 7716 B17R1.856 CN(CC(O)c1ccc(cc1)O)C[C@@H](O)CF 2230a_100016988945_100015614560 [0,2,0,0,0,0|1,0,0]=3 7717 B17R1.856 CN(CC(O)c1ccc(cc1)O)C[C@@H](O)CO 2230a_100016988945_100009815848 [0,2,0,0,0,0|1,0,0]=3 7718 B17R1.856 CNC(=O)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000183359 [0,2,0,0,0,0|1,0,1]=4 7719 B17R1.856 CNC(=O)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000183359 [0,2,0,0,0,0|1,0,1]=4 7720 B17R1.856 COC(=O)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000747449 [0,2,0,0,0,0|1,0,1]=4 7721 B17R1.856 COC(=O)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000747449 [0,2,0,0,0,0|1,0,1]=4 7722 B17R1.856 C[C@@H](CO)CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000059175 [0,2,0,0,0,0|1,0,0]=3 7723 B17R1.856 C[C@@H](CO)CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000059175 [0,2,0,0,0,0|1,0,0]=3 7724 B17R1.1060 C=C(C)CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000730704 [0,2,0,0,0,0|0,0,1]=3 7725 B17R1.1060 C=C(C)CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000730704 [0,2,0,0,0,0|0,0,1]=3 7726 B17R1.1060 CC(=CCN(C)CC(O)c1ccc(cc1)O)C 2230a_100016988945_100000761012 [0,2,0,0,0,0|0,0,2]=4 7727 B17R1.1060 CC(=CCN(C)CC(O)c1ccc(cc1)O)C 269982a_100016988945_100000761012 [0,2,0,0,0,0|0,0,2]=4 7728 B17R1.1060 CC(=O)CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000053229 [0,2,0,0,0,0|0,0,1]=3 7729 B17R1.1060 CC(=O)OCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000076356 [0,2,0,0,0,0|1,0,1]=4 7730 B17R1.1060 CC(C)CCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000181311_200011996143 [0,2,0,0,0,0|2,0,0]=4 7731 B17R1.1060 CC(C)CCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000181311_100000720402 [0,2,0,0,0,0|2,0,0]=4 7732 B17R1.1060 CC(C)CCN(C)CC(=O)c1ccc(cc1)O 269982a_100000742789_100009814261 [0,2,0,0,0,0|0,0,2]=4 7733 B17R1.1060 CC(C)CCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000742789_200011996143 [0,2,0,0,0,0|1,0,0]=3 7734 B17R1.1060 CC(C)CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210312 [0,2,0,0,0,0|0,0,0]=2 7735 B17R1.1060 CC(C)CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210312 [0,2,0,0,0,0|0,0,0]=2 7736 B17R1.1060 CC(C)CCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000742789_100000720402 [0,2,0,0,0,0|1,0,0]=3 7737 B17R1.1060 CC(C)OCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000709892 [0,2,0,0,0,0|1,0,0]=3 7738 B17R1.1060 CC(C)OCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000709892 [0,2,0,0,0,0|1,0,0]=3 7739 B17R1.1060 CC(O)CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100012276601 [0,2,0,0,0,0|0,0,0]=2 7740 B17R1.1060 CC(O)CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100012276601 [0,2,0,0,0,0|0,0,0]=2 7741 B17R1.1060 CN(C)CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000755713 [0,2,0,0,0,0|1,0,0]=3 7742 B17R1.1060 CN(CCC(=O)N)CC(O)c1ccc(cc1)O 2230a_100016988945_100000744528 [0,2,0,0,0,0|1,0,1]=4 7743 B17R1.1060 CN(CCC(=O)N)CC(O)c1ccc(cc1)O 269982a_100016988945_100000744528 [0,2,0,0,0,0|1,0,1]=4 7744 B17R1.1255 CCCCN(CC)CC(=O)c1ccc(cc1)O 269982a_100000207695_100009814261 [0,2,0,0,0,0|0,0,2]=4 7745 B17R1.1255 CCCCN(CC)CC(O)c1ccc(cc1)Cl 2230a_100000207695_200011996143 [0,2,0,0,0,0|1,0,0]=3 7746 B17R1.1255 CCCCN(CC)C[C@H](O)c1ccc(cc1)F 2230a_100000207695_100000720402 [0,2,0,0,0,0|1,0,0]=3 7747 B17R1.1255 CCN(CCOC)CC(O)c1ccc(cc1)Cl 2230a_100000731262_200011996143 [0,2,0,0,0,0|2,0,0]=4 7748 B17R1.1255 CCN(CCOC)C[C@H](O)c1ccc(cc1)F 2230a_100000731262_100000720402 [0,2,0,0,0,0|2,0,0]=4 7749 B17R1.1580 CCCCN(C)CC(C)(C)c1ccc(cc1)Br 270004a_100000207549_100010228009 [0,2,0,0,0,0|2,0,0]=4 7750 B17R1.1580 CCCCN(C)CC(F)(F)c1ccc(cc1)Br 269982a_100000207549_100010185546 [0,2,0,0,0,0|2,0,0]=4 7751 B17R1.8442 C#CCCN(C)CC(O)c1ccc(cc1)OC 2230a_100011290904_100000688953 [0,2,0,0,0,0|0,0,2]=4 7752 B17R1.8442 C#CCCN(C)CC(O)c1ccc(cc1)OC 269982a_100011290904_100000730999 [0,2,0,0,0,0|0,0,2]=4 7753 B17R1.8442 C/C=C/CN(C)CC(O)c1ccc(cc1)OC 269982a_100011290904_100102629194 [0,2,0,0,0,0|0,0,2]=4 7754 B17R1.8442 C=CCCN(C)CC(O)c1ccc(cc1)OC 2230a_100011290904_100000754431 [0,2,0,0,0,0|0,0,2]=4 7755 B17R1.8442 C=CCCN(C)CC(O)c1ccc(cc1)OC 269982a_100011290904_100000754431 [0,2,0,0,0,0|0,0,2]=4 7756 B17R1.8442 CC#CCN(C)CC(O)c1ccc(cc1)OC 2230a_100011290904_100000748600 [0,2,0,0,0,0|0,0,2]=4 7757 B17R1.8442 CC=CCN(C)CC(O)c1ccc(cc1)OC 2230a_100011290904_100000070051 [0,2,0,0,0,0|0,0,2]=4 7758 B17R1.8442 CCCCN(C)CC(=O)c1ccc(cc1)OC 2230a_100000207549_100000212054 [0,2,0,0,0,0|0,0,2]=4 7759 B17R1.8442 CCCCN(C)CC(=O)c1ccc(cc1)OC 269982a_100000207549_100000212054 [0,2,0,0,0,0|0,0,2]=4 7760 B17R1.8442 CCCCN(C)CC(O)c1ccc(cc1)OC 2230a_100011290904_100000210211 [0,2,0,0,0,0|0,0,0]=2 7761 B17R1.8442 CCCCN(C)CC(O)c1ccc(cc1)OC 269982a_100011290904_100000210211 [0,2,0,0,0,0|0,0,0]=2 7762 B17R1.8442 CCOCN(C)CC(O)c1ccc(cc1)OC 269982a_100011290904_100000739092 [0,2,0,0,0,0|1,0,0]=3 7763 B17R1.8442 COCCN(C)CC(O)c1ccc(cc1)OC 2230a_100011290904_100011201679 [0,2,0,0,0,0|1,0,0]=3 7764 B17R1.8442 COCCN(C)CC(O)c1ccc(cc1)OC 269982a_100011290904_100000233755 [0,2,0,0,0,0|1,0,0]=3 7765 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCC#N 2230a_100011290904_100011215226 [0,2,0,0,0,0|1,0,1]=4 7766 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCC#N 269982a_100011290904_100011215226 [0,2,0,0,0,0|1,0,1]=4 7767 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCCF 2230a_100011290904_100011934791 [0,2,0,0,0,0|1,0,0]=3 7768 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCCF 269982a_100011290904_100011934791 [0,2,0,0,0,0|1,0,0]=3 7769 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCCO 2230a_100011290904_100000230001 [0,2,0,0,0,0|1,0,0]=3 7770 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCCO 269982a_100011290904_100011215043 [0,2,0,0,0,0|1,0,0]=3 7771 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCSC 2230a_100011290904_100000751147 [0,2,0,0,0,0|1,0,0]=3 7772 B17R1.8442 COc1ccc(cc1)C(O)CN(C)CCSC 269982a_100011290904_100000212216 [0,2,0,0,0,0|1,0,0]=3 7773 B17R1.8456 CCCCC(=O)C[C@@H](O)c1ccc(c(c1)F)F 1458a_100000210183_100000761251 [0,2,0,0,0,0|2,0,0]=4 7774 B17R1.8456 CCCCN(C)CC(=O)c1ccc(c(c1)Cl)O 269982a_100000207549_200010170092 [0,2,0,0,0,0|0,0,2]=4 7775 B17R1.8456 CCCCN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000207549_100000183813 [0,2,0,0,0,0|0,0,2]=4 7776 B17R1.8456 CCCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000207549_100000761251 [0,2,0,0,0,0|1,0,0]=3 7777 B17R1.8456 CCCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000207549_100000761251 [0,2,0,0,0,0|1,0,0]=3 7778 B17R1.8456 CN(CCCO)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000213112_100000761251 [0,2,0,0,0,0|2,0,0]=4 7779 B17R1.8456 CN(CCCO)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000213112_100000761251 [0,2,0,0,0,0|2,0,0]=4 7780 B17R1.8456 COCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000743101_100000761251 [0,2,0,0,0,0|2,0,0]=4 7781 B17R1.8456 COCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000743101_100000761251 [0,2,0,0,0,0|2,0,0]=4 7782 B17R1.8456 CSCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000686725_100000761251 [0,2,0,0,0,0|2,0,0]=4 7783 B17R1.8456 CSCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000686725_100000761251 [0,2,0,0,0,0|2,0,0]=4 7784 B17R1.62413 CCCCC(=O)C[C@@H](O)c1ccc(cc1F)F 1458a_100000210183_100000761269 [0,2,0,0,0,0|2,0,0]=4 7785 B17R1.62413 CCCCC(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_100000210183_100000761231 [0,2,0,0,0,0|2,0,0]=4 7786 B17R1.62413 CCCCN(C)CC(=O)c1ccc(cc1O)O 269982a_100000207549_100009814262 [0,2,0,0,0,0|0,0,2]=4 7787 B17R1.62413 CCCCN(C)C[C@@H](O)c1ccc(cc1F)F 2230a_100000207549_100000761269 [0,2,0,0,0,0|1,0,0]=3 7788 B17R1.62413 CCCCN(C)C[C@@H](O)c1ccc(cc1F)F 269982a_100000207549_100000761269 [0,2,0,0,0,0|1,0,0]=3 7789 B17R1.62413 CCCCN(C)C[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000207549_100000761231 [0,2,0,0,0,0|1,0,0]=3 7790 B17R1.62413 CCCCN(C)C[C@H](O)c1ccc(cc1Cl)Cl 269982a_100000207549_100000761231 [0,2,0,0,0,0|1,0,0]=3 7791 B17R1.62413 CN(CCCO)C[C@@H](O)c1ccc(cc1F)F 2230a_100000213112_100000761269 [0,2,0,0,0,0|2,0,0]=4 7792 B17R1.62413 CN(CCCO)C[C@@H](O)c1ccc(cc1F)F 269982a_100000213112_100000761269 [0,2,0,0,0,0|2,0,0]=4 7793 B17R1.62413 CN(CCCO)C[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000213112_100000761231 [0,2,0,0,0,0|2,0,0]=4 7794 B17R1.62413 CN(CCCO)C[C@H](O)c1ccc(cc1Cl)Cl 269982a_100000213112_100000761231 [0,2,0,0,0,0|2,0,0]=4 7795 B17R1.62413 COCCN(C)C[C@@H](O)c1ccc(cc1F)F 2230a_100000743101_100000761269 [0,2,0,0,0,0|2,0,0]=4 7796 B17R1.62413 COCCN(C)C[C@@H](O)c1ccc(cc1F)F 269982a_100000743101_100000761269 [0,2,0,0,0,0|2,0,0]=4 7797 B17R1.62413 COCCN(C)C[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000743101_100000761231 [0,2,0,0,0,0|2,0,0]=4 7798 B17R1.62413 COCCN(C)C[C@H](O)c1ccc(cc1Cl)Cl 269982a_100000743101_100000761231 [0,2,0,0,0,0|2,0,0]=4 7799 B17R1.62413 CSCCN(C)C[C@@H](O)c1ccc(cc1F)F 2230a_100000686725_100000761269 [0,2,0,0,0,0|2,0,0]=4 7800 B17R1.62413 CSCCN(C)C[C@@H](O)c1ccc(cc1F)F 269982a_100000686725_100000761269 [0,2,0,0,0,0|2,0,0]=4 7801 B17R1.62413 CSCCN(C)C[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000686725_100000761231 [0,2,0,0,0,0|2,0,0]=4 7802 B17R1.62413 CSCCN(C)C[C@H](O)c1ccc(cc1Cl)Cl 269982a_100000686725_100000761231 [0,2,0,0,0,0|2,0,0]=4 7803 B17R1.39 C#CCCCCNCC(=O)c1ccc(cc1)O 34a_100000706060_100009814261 [0,2,0,0,0,0|0,0,2]=4 7804 B17R1.39 C#CCCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100010269958 [0,2,0,0,0,0|1,0,0]=3 7805 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100010269958 [0,2,0,0,0,0|1,0,0]=3 7806 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100010269958 [0,2,0,0,0,0|1,0,0]=3 7807 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100010269958 [0,2,0,0,0,0|1,0,0]=3 7808 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100010269958 [0,2,0,0,0,0|1,0,0]=3 7809 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000706060_200011996143 [0,2,0,0,0,0|1,0,0]=3 7810 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100010269958 [0,2,0,0,0,0|1,0,0]=3 7811 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)Cl 34a_100000706060_200011996143 [0,2,0,0,0,0|1,0,0]=3 7812 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100010269958 [0,2,0,0,0,0|1,0,0]=3 7813 B17R1.39 C#CCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100010269958 [0,2,0,0,0,0|0,0,0]=2 7814 B17R1.39 C#CCCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000706060_100000720402 [0,2,0,0,0,0|1,0,0]=3 7815 B17R1.39 C#CCCCCNC[C@H](O)c1ccc(cc1)F 34a_100000706060_100000720402 [0,2,0,0,0,0|1,0,0]=3 7816 B17R1.39 C#CCCCCOCC(O)c1ccc(cc1)Cl 34a_100000766709_200011996143 [0,2,0,0,0,0|2,0,0]=4 7817 B17R1.39 C#CCCCCOCC(O)c1ccc(cc1)Cl 7a_100000766709_200011996143 [0,2,0,0,0,0|2,0,0]=4 7818 B17R1.39 C#CCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000766709_100000720402 [0,2,0,0,0,0|2,0,0]=4 7819 B17R1.39 C#CCCCCOC[C@H](O)c1ccc(cc1)F 7a_100000766709_100000720402 [0,2,0,0,0,0|2,0,0]=4 7820 B17R1.39 C#CCCCCSCC(O)c1ccc(cc1)Cl 62a_100010269958_200011996143 [0,2,0,0,0,0|2,0,0]=4 7821 B17R1.39 C#CCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100010269958 [0,2,0,0,0,0|2,0,0]=4 7822 B17R1.39 C#CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100010269958 [0,2,0,0,0,0|2,0,0]=4 7823 B17R1.39 C#CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100010269958_100000720402 [0,2,0,0,0,0|2,0,0]=4 7824 B17R1.39 C#CCOCCNCC(C)c1ccc(cc1)O 34a_200015188644_100010402529 [0,2,0,0,0,0|1,0,1]=4 7825 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100010402529 [0,2,0,0,0,0|1,0,1]=4 7826 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100010402529 [0,2,0,0,0,0|1,0,1]=4 7827 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100010402529 [0,2,0,0,0,0|1,0,1]=4 7828 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)C 34a_200020610344_100010402529 [0,2,0,0,0,0|1,0,1]=4 7829 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000700922_200011996143 [0,2,0,0,0,0|1,0,1]=4 7830 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100010402529 [0,2,0,0,0,0|1,0,1]=4 7831 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)Cl 34a_100000700922_200011996143 [0,2,0,0,0,0|1,0,1]=4 7832 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100010402529 [0,2,0,0,0,0|1,0,1]=4 7833 B17R1.39 C#CCOCCNCC(O)c1ccc(cc1)O 34a_100000067596_100010402529 [0,2,0,0,0,0|0,0,1]=3 7834 B17R1.39 C#CCOCCNC[C@H](O)c1ccc(cc1)F 2230a_100000700922_100000720402 [0,2,0,0,0,0|1,0,1]=4 7835 B17R1.39 C#CCOCCNC[C@H](O)c1ccc(cc1)F 34a_100000700922_100000720402 [0,2,0,0,0,0|1,0,1]=4 7836 B17R1.39 C=CCCCCNCC(=O)c1ccc(cc1)O 34a_100000703577_100009814261 [0,2,0,0,0,0|0,0,2]=4 7837 B17R1.39 C=CCCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100011215482 [0,2,0,0,0,0|1,0,0]=3 7838 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215482 [0,2,0,0,0,0|1,0,0]=3 7839 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011215482 [0,2,0,0,0,0|1,0,0]=3 7840 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011215482 [0,2,0,0,0,0|1,0,0]=3 7841 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100011215482 [0,2,0,0,0,0|1,0,0]=3 7842 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000703577_200011996143 [0,2,0,0,0,0|1,0,0]=3 7843 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215482 [0,2,0,0,0,0|1,0,0]=3 7844 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)Cl 34a_100000703577_200011996143 [0,2,0,0,0,0|1,0,0]=3 7845 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215482 [0,2,0,0,0,0|1,0,0]=3 7846 B17R1.39 C=CCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100011215482 [0,2,0,0,0,0|0,0,0]=2 7847 B17R1.39 C=CCCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000703577_100000720402 [0,2,0,0,0,0|1,0,0]=3 7848 B17R1.39 C=CCCCCNC[C@H](O)c1ccc(cc1)F 34a_100000703577_100000720402 [0,2,0,0,0,0|1,0,0]=3 7849 B17R1.39 C=CCCCCOCC(O)c1ccc(cc1)Cl 34a_100000766645_200011996143 [0,2,0,0,0,0|2,0,0]=4 7850 B17R1.39 C=CCCCCOCC(O)c1ccc(cc1)Cl 7a_100000766645_200011996143 [0,2,0,0,0,0|2,0,0]=4 7851 B17R1.39 C=CCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000766645_100000720402 [0,2,0,0,0,0|2,0,0]=4 7852 B17R1.39 C=CCCCCOC[C@H](O)c1ccc(cc1)F 7a_100000766645_100000720402 [0,2,0,0,0,0|2,0,0]=4 7853 B17R1.39 C=CCCCCSCC(O)c1ccc(cc1)Cl 62a_100011215482_200011996143 [0,2,0,0,0,0|2,0,0]=4 7854 B17R1.39 C=CCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215482 [0,2,0,0,0,0|2,0,0]=4 7855 B17R1.39 C=CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215482 [0,2,0,0,0,0|2,0,0]=4 7856 B17R1.39 C=CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100011215482_100000720402 [0,2,0,0,0,0|2,0,0]=4 7857 B17R1.39 C=COCCCNCC(O)c1ccc(cc1)Cl 2230a_100000210767_200011996143 [0,2,0,0,0,0|1,0,1]=4 7858 B17R1.39 C=COCCCNCC(O)c1ccc(cc1)Cl 34a_100000210767_200011996143 [0,2,0,0,0,0|1,0,1]=4 7859 B17R1.39 C=COCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000210767_100000720402 [0,2,0,0,0,0|1,0,1]=4 7860 B17R1.39 C=COCCCNC[C@H](O)c1ccc(cc1)F 34a_100000210767_100000720402 [0,2,0,0,0,0|1,0,1]=4 7861 B17R1.39 CC(CNCCCCCF)c1ccc(cc1)O 34a_200015188644_100000729378 [0,2,0,0,0,0|1,0,0]=3 7862 B17R1.39 CC(CNCCCCCO)c1ccc(cc1)O 34a_200015188644_100000746330 [0,2,0,0,0,0|1,0,0]=3 7863 B17R1.39 CC(CNCCOCCO)c1ccc(cc1)O 34a_200015188644_100000692535 [0,2,0,0,0,0|1,0,0]=3 7864 B17R1.39 CC/C=C\CCNCC(C)c1ccc(cc1)O 34a_200015188644_100015370543 [0,2,0,0,0,0|1,0,0]=3 7865 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100015370543 [0,2,0,0,0,0|1,0,0]=3 7866 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100015370543 [0,2,0,0,0,0|1,0,0]=3 7867 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100015370543 [0,2,0,0,0,0|1,0,0]=3 7868 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)C 34a_200020610344_100015370543 [0,2,0,0,0,0|1,0,0]=3 7869 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100015370543 [0,2,0,0,0,0|1,0,0]=3 7870 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100015370543 [0,2,0,0,0,0|1,0,0]=3 7871 B17R1.39 CC/C=C\CCNCC(O)c1ccc(cc1)O 34a_100000067596_100015370543 [0,2,0,0,0,0|0,0,0]=2 7872 B17R1.39 CC/C=C\CCOCC(O)c1ccc(cc1)Cl 34a_100016288707_200011996143 [0,2,0,0,0,0|2,0,0]=4 7873 B17R1.39 CC/C=C\CCOCC(O)c1ccc(cc1)Cl 7a_100016288707_200011996143 [0,2,0,0,0,0|2,0,0]=4 7874 B17R1.39 CC/C=C\CCOC[C@H](O)c1ccc(cc1)F 34a_100016288707_100000720402 [0,2,0,0,0,0|2,0,0]=4 7875 B17R1.39 CC/C=C\CCOC[C@H](O)c1ccc(cc1)F 7a_100016288707_100000720402 [0,2,0,0,0,0|2,0,0]=4 7876 B17R1.39 CC/C=C\CCSCC(O)c1ccc(cc1)Cl 62a_100015370543_200011996143 [0,2,0,0,0,0|2,0,0]=4 7877 B17R1.39 CC/C=C\CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100015370543 [0,2,0,0,0,0|2,0,0]=4 7878 B17R1.39 CC/C=C\CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100015370543 [0,2,0,0,0,0|2,0,0]=4 7879 B17R1.39 CC/C=C\CCSC[C@H](O)c1ccc(cc1)F 62a_100015370543_100000720402 [0,2,0,0,0,0|2,0,0]=4 7880 B17R1.39 CC=CCCCOCC(O)c1ccc(cc1)Cl 34a_100020645299_200011996143 [0,2,0,0,0,0|2,0,0]=4 7881 B17R1.39 CC=CCCCOC[C@H](O)c1ccc(cc1)F 34a_100020645299_100000720402 [0,2,0,0,0,0|2,0,0]=4 7882 B17R1.39 CCC#CCCOCC(O)c1ccc(cc1)Cl 34a_100000036655_200011996143 [0,2,0,0,0,0|2,0,0]=4 7883 B17R1.39 CCC#CCCOCC(O)c1ccc(cc1)Cl 7a_100000036655_200011996143 [0,2,0,0,0,0|2,0,0]=4 7884 B17R1.39 CCC#CCCOC[C@H](O)c1ccc(cc1)F 34a_100000036655_100000720402 [0,2,0,0,0,0|2,0,0]=4 7885 B17R1.39 CCC#CCCOC[C@H](O)c1ccc(cc1)F 7a_100000036655_100000720402 [0,2,0,0,0,0|2,0,0]=4 7886 B17R1.39 CCC/C=C/COCC(O)c1ccc(cc1)Cl 34a_100016278788_200011996143 [0,2,0,0,0,0|2,0,0]=4 7887 B17R1.39 CCC/C=C/COCC(O)c1ccc(cc1)Cl 7a_100016278788_200011996143 [0,2,0,0,0,0|2,0,0]=4 7888 B17R1.39 CCC/C=C/COC[C@H](O)c1ccc(cc1)F 34a_100016278788_100000720402 [0,2,0,0,0,0|2,0,0]=4 7889 B17R1.39 CCC/C=C/COC[C@H](O)c1ccc(cc1)F 7a_100016278788_100000720402 [0,2,0,0,0,0|2,0,0]=4 7890 B17R1.39 CCCC#CCOCC(O)c1ccc(cc1)Cl 34a_100000034806_200011996143 [0,2,0,0,0,0|2,0,0]=4 7891 B17R1.39 CCCC#CCOCC(O)c1ccc(cc1)Cl 7a_100000034806_200011996143 [0,2,0,0,0,0|2,0,0]=4 7892 B17R1.39 CCCC#CCOC[C@H](O)c1ccc(cc1)F 34a_100000034806_100000720402 [0,2,0,0,0,0|2,0,0]=4 7893 B17R1.39 CCCC#CCOC[C@H](O)c1ccc(cc1)F 7a_100000034806_100000720402 [0,2,0,0,0,0|2,0,0]=4 7894 B17R1.39 CCCCCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210681 [0,2,0,0,0,0|2,0,0]=4 7895 B17R1.39 CCCCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210314 [0,2,0,0,0,0|1,0,0]=3 7896 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210314 [0,2,0,0,0,0|1,0,0]=3 7897 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210314 [0,2,0,0,0,0|1,0,0]=3 7898 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210314 [0,2,0,0,0,0|1,0,0]=3 7899 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210314 [0,2,0,0,0,0|1,0,0]=3 7900 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000210581_200011996143 [0,2,0,0,0,0|1,0,0]=3 7901 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210314 [0,2,0,0,0,0|1,0,0]=3 7902 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210314 [0,2,0,0,0,0|1,0,0]=3 7903 B17R1.39 CCCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210314 [0,2,0,0,0,0|0,0,0]=2 7904 B17R1.39 CCCCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000210581_100000720402 [0,2,0,0,0,0|1,0,0]=3 7905 B17R1.39 CCCCCCOCC(O)c1ccc(cc1)Cl 34a_100000210259_200011996143 [0,2,0,0,0,0|2,0,0]=4 7906 B17R1.39 CCCCCCOCC(O)c1ccc(cc1)Cl 7a_100000210259_200011996143 [0,2,0,0,0,0|2,0,0]=4 7907 B17R1.39 CCCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000210259_100000720402 [0,2,0,0,0,0|2,0,0]=4 7908 B17R1.39 CCCCCCOC[C@H](O)c1ccc(cc1)F 7a_100000210259_100000720402 [0,2,0,0,0,0|2,0,0]=4 7909 B17R1.39 CCCCCCSCC(O)c1ccc(cc1)Cl 62a_100000210314_200011996143 [0,2,0,0,0,0|2,0,0]=4 7910 B17R1.39 CCCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210757 [0,2,0,0,0,0|2,0,0]=4 7911 B17R1.39 CCCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000210314_100000720402 [0,2,0,0,0,0|2,0,0]=4 7912 B17R1.39 CCCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210757 [0,2,0,0,0,0|2,0,0]=4 7913 B17R1.39 CCCCCNCCC(=O)c1ccc(cc1)O 2230a_100000209983_100009879949 [0,2,0,0,0,0|0,0,2]=4 7914 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)O 2230a_100000102301_100000039620 [0,2,0,0,0,0|0,0,2]=4 7915 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)O 7a_106832991798_100000039620 [0,2,0,0,0,0|0,0,2]=4 7916 B17R1.39 CCCCOCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000743108 [0,2,0,0,0,0|2,0,0]=4 7917 B17R1.39 CCCCOCNCC(C)c1ccc(cc1)O 34a_200015188644_100011995733 [0,2,0,0,0,0|1,0,0]=3 7918 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011995733 [0,2,0,0,0,0|1,0,0]=3 7919 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011995733 [0,2,0,0,0,0|1,0,0]=3 7920 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011995733 [0,2,0,0,0,0|1,0,0]=3 7921 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)C 34a_200020610344_100011995733 [0,2,0,0,0,0|1,0,0]=3 7922 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011995733 [0,2,0,0,0,0|1,0,0]=3 7923 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011995733 [0,2,0,0,0,0|1,0,0]=3 7924 B17R1.39 CCCCOCNCC(O)c1ccc(cc1)O 34a_100000067596_100011995733 [0,2,0,0,0,0|0,0,0]=2 7925 B17R1.39 CCCCOCSCC(O)c1ccc(cc1)Cl 62a_100011995733_200011996143 [0,2,0,0,0,0|2,0,0]=4 7926 B17R1.39 CCCCOCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011995733 [0,2,0,0,0,0|2,0,0]=4 7927 B17R1.39 CCCCOCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011995733 [0,2,0,0,0,0|2,0,0]=4 7928 B17R1.39 CCCCOCSC[C@H](O)c1ccc(cc1)F 62a_100011995733_100000720402 [0,2,0,0,0,0|2,0,0]=4 7929 B17R1.39 CCCOCCNCC(=O)c1ccc(cc1)O 34a_100161115042_100009814261 [0,2,0,0,0,0|0,0,2]=4 7930 B17R1.39 CCCOCCNCC(C)c1ccc(cc1)O 34a_200015188644_100011215938 [0,2,0,0,0,0|1,0,0]=3 7931 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215938 [0,2,0,0,0,0|1,0,0]=3 7932 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011215938 [0,2,0,0,0,0|1,0,0]=3 7933 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011215938 [0,2,0,0,0,0|1,0,0]=3 7934 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)C 34a_200020610344_100011215938 [0,2,0,0,0,0|1,0,0]=3 7935 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215938 [0,2,0,0,0,0|1,0,0]=3 7936 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)Cl 2230a_100161115042_200011996143 [0,2,0,0,0,0|1,0,0]=3 7937 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215938 [0,2,0,0,0,0|1,0,0]=3 7938 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)Cl 34a_100161115042_200011996143 [0,2,0,0,0,0|1,0,0]=3 7939 B17R1.39 CCCOCCNCC(O)c1ccc(cc1)O 34a_100000067596_100011215938 [0,2,0,0,0,0|0,0,0]=2 7940 B17R1.39 CCCOCCNC[C@H](O)c1ccc(cc1)F 2230a_100161115042_100000720402 [0,2,0,0,0,0|1,0,0]=3 7941 B17R1.39 CCCOCCNC[C@H](O)c1ccc(cc1)F 34a_100161115042_100000720402 [0,2,0,0,0,0|1,0,0]=3 7942 B17R1.39 CCCOCCOCC(O)c1ccc(cc1)Cl 34a_100000752267_200011996143 [0,2,0,0,0,0|2,0,0]=4 7943 B17R1.39 CCCOCCOCC(O)c1ccc(cc1)Cl 7a_100000752267_200011996143 [0,2,0,0,0,0|2,0,0]=4 7944 B17R1.39 CCCOCCOC[C@H](O)c1ccc(cc1)F 34a_100000752267_100000720402 [0,2,0,0,0,0|2,0,0]=4 7945 B17R1.39 CCCOCCOC[C@H](O)c1ccc(cc1)F 7a_100000752267_100000720402 [0,2,0,0,0,0|2,0,0]=4 7946 B17R1.39 CCCOCCSCC(O)c1ccc(cc1)Cl 62a_100011215938_200011996143 [0,2,0,0,0,0|2,0,0]=4 7947 B17R1.39 CCCOCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215938 [0,2,0,0,0,0|2,0,0]=4 7948 B17R1.39 CCCOCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215938 [0,2,0,0,0,0|2,0,0]=4 7949 B17R1.39 CCCOCCSC[C@H](O)c1ccc(cc1)F 62a_100011215938_100000720402 [0,2,0,0,0,0|2,0,0]=4 7950 B17R1.39 CCCSCCNCC(O)c1ccc(cc1)Cl 2230a_100020603323_200011996143 [0,2,0,0,0,0|1,0,0]=3 7951 B17R1.39 CCCSCCNC[C@H](O)c1ccc(cc1)F 2230a_100020603323_100000720402 [0,2,0,0,0,0|1,0,0]=3 7952 B17R1.39 CCCSCCOCC(O)c1ccc(cc1)Cl 34a_200000230433_200011996143 [0,2,0,0,0,0|2,0,0]=4 7953 B17R1.39 CCCSCCOCC(O)c1ccc(cc1)Cl 7a_200000230433_200011996143 [0,2,0,0,0,0|2,0,0]=4 7954 B17R1.39 CCCSCCOC[C@H](O)c1ccc(cc1)F 34a_200000230433_100000720402 [0,2,0,0,0,0|2,0,0]=4 7955 B17R1.39 CCCSCCOC[C@H](O)c1ccc(cc1)F 7a_200000230433_100000720402 [0,2,0,0,0,0|2,0,0]=4 7956 B17R1.39 CCOCCCNCC(=O)c1ccc(cc1)O 34a_100000210961_100009814261 [0,2,0,0,0,0|0,0,2]=4 7957 B17R1.39 CCOCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100012232248 [0,2,0,0,0,0|1,0,0]=3 7958 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100012232248 [0,2,0,0,0,0|1,0,0]=3 7959 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100012232248 [0,2,0,0,0,0|1,0,0]=3 7960 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100012232248 [0,2,0,0,0,0|1,0,0]=3 7961 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100012232248 [0,2,0,0,0,0|1,0,0]=3 7962 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)Cl 2230a_100000210961_200011996143 [0,2,0,0,0,0|1,0,0]=3 7963 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100012232248 [0,2,0,0,0,0|1,0,0]=3 7964 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)Cl 34a_100000210961_200011996143 [0,2,0,0,0,0|1,0,0]=3 7965 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100012232248 [0,2,0,0,0,0|1,0,0]=3 7966 B17R1.39 CCOCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100012232248 [0,2,0,0,0,0|0,0,0]=2 7967 B17R1.39 CCOCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000210961_100000720402 [0,2,0,0,0,0|1,0,0]=3 7968 B17R1.39 CCOCCCNC[C@H](O)c1ccc(cc1)F 34a_100000210961_100000720402 [0,2,0,0,0,0|1,0,0]=3 7969 B17R1.39 CCOCCCOCC(O)c1ccc(cc1)Cl 34a_100000757476_200011996143 [0,2,0,0,0,0|2,0,0]=4 7970 B17R1.39 CCOCCCOCC(O)c1ccc(cc1)Cl 7a_100000757476_200011996143 [0,2,0,0,0,0|2,0,0]=4 7971 B17R1.39 CCOCCCOC[C@H](O)c1ccc(cc1)F 34a_100000757476_100000720402 [0,2,0,0,0,0|2,0,0]=4 7972 B17R1.39 CCOCCCOC[C@H](O)c1ccc(cc1)F 7a_100000757476_100000720402 [0,2,0,0,0,0|2,0,0]=4 7973 B17R1.39 CCOCCCSCC(O)c1ccc(cc1)Cl 62a_100012232248_200011996143 [0,2,0,0,0,0|2,0,0]=4 7974 B17R1.39 CCOCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100012232248 [0,2,0,0,0,0|2,0,0]=4 7975 B17R1.39 CCOCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100012232248 [0,2,0,0,0,0|2,0,0]=4 7976 B17R1.39 CCOCCCSC[C@H](O)c1ccc(cc1)F 62a_100012232248_100000720402 [0,2,0,0,0,0|2,0,0]=4 7977 B17R1.39 CCOCCNCCC(=O)c1ccc(cc1)O 2230a_102516460346_100009879949 [0,2,0,0,0,0|0,0,2]=4 7978 B17R1.39 CCSCCCOCC(O)c1ccc(cc1)Cl 34a_100011216438_200011996143 [0,2,0,0,0,0|2,0,0]=4 7979 B17R1.39 CCSCCCOCC(O)c1ccc(cc1)Cl 7a_100011216438_200011996143 [0,2,0,0,0,0|2,0,0]=4 7980 B17R1.39 CCSCCCOC[C@H](O)c1ccc(cc1)F 34a_100011216438_100000720402 [0,2,0,0,0,0|2,0,0]=4 7981 B17R1.39 CCSCCCOC[C@H](O)c1ccc(cc1)F 7a_100011216438_100000720402 [0,2,0,0,0,0|2,0,0]=4 7982 B17R1.39 CCSCCNCCC(=O)c1ccc(cc1)O 2230a_100000106463_100009879949 [0,2,0,0,0,0|0,0,2]=4 7983 B17R1.39 COCCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000755781 [0,2,0,0,0,0|1,0,0]=3 7984 B17R1.39 COCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000730899 [0,2,0,0,0,0|1,0,0]=3 7985 B17R1.39 COCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000755781 [0,2,0,0,0,0|1,0,0]=3 7986 B17R1.39 COCCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000730899 [0,2,0,0,0,0|1,0,0]=3 7987 B17R1.39 COCCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000755781 [0,2,0,0,0,0|1,0,0]=3 7988 B17R1.39 COCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000730899 [0,2,0,0,0,0|1,0,0]=3 7989 B17R1.39 COCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000755781 [0,2,0,0,0,0|1,0,0]=3 7990 B17R1.39 COCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000755781 [0,2,0,0,0,0|0,0,0]=2 7991 B17R1.39 COCCCCOCC(O)c1ccc(cc1)Cl 34a_100000740925_200011996143 [0,2,0,0,0,0|2,0,0]=4 7992 B17R1.39 COCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000740925_100000720402 [0,2,0,0,0,0|2,0,0]=4 7993 B17R1.39 COCCCCSCC(O)c1ccc(cc1)Cl 62a_100000730899_200011996143 [0,2,0,0,0,0|2,0,0]=4 7994 B17R1.39 COCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000730899 [0,2,0,0,0,0|2,0,0]=4 7995 B17R1.39 COCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000730899 [0,2,0,0,0,0|2,0,0]=4 7996 B17R1.39 COCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000730899_100000720402 [0,2,0,0,0,0|2,0,0]=4 7997 B17R1.39 COCCOCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000231047 [0,2,0,0,0,0|1,0,0]=3 7998 B17R1.39 COCCOCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000231047 [0,2,0,0,0,0|1,0,0]=3 7999 B17R1.39 COCCOCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000231047 [0,2,0,0,0,0|1,0,0]=3 8000 B17R1.39 COCCOCSCC(O)c1ccc(cc1)Cl 62a_100000231047_200011996143 [0,2,0,0,0,0|2,0,0]=4 8001 B17R1.39 COCCOCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000231047 [0,2,0,0,0,0|2,0,0]=4 8002 B17R1.39 COCCOCSC[C@H](O)c1ccc(cc1)F 62a_100000231047_100000720402 [0,2,0,0,0,0|2,0,0]=4 8003 B17R1.39 COCCOCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000231047 [0,2,0,0,0,0|2,0,0]=4 8004 B17R1.39 CSCCCCOCC(O)c1ccc(cc1)Cl 34a_100011217163_200011996143 [0,2,0,0,0,0|2,0,0]=4 8005 B17R1.39 CSCCCCOCC(O)c1ccc(cc1)Cl 7a_100011217163_200011996143 [0,2,0,0,0,0|2,0,0]=4 8006 B17R1.39 CSCCCCOC[C@H](O)c1ccc(cc1)F 34a_100011217163_100000720402 [0,2,0,0,0,0|2,0,0]=4 8007 B17R1.39 CSCCCCOC[C@H](O)c1ccc(cc1)F 7a_100011217163_100000720402 [0,2,0,0,0,0|2,0,0]=4 8008 B17R1.39 CSCCCNCCC(=O)c1ccc(cc1)O 2230a_100000749238_100009879949 [0,2,0,0,0,0|0,0,2]=4 8009 B17R1.39 C[C@H](NCCCCCCF)c1ccc(cc1)O 2230a_100161106496_100015922095 [0,2,0,0,0,0|2,0,0]=4 8010 B17R1.39 C[C@H](NCCCCCCO)c1ccc(cc1)O 2230a_100161106496_100000766143 [0,2,0,0,0,0|2,0,0]=4 8011 B17R1.39 Cc1ccc(cc1)C(O)CNCCCCC#N 2230a_200020610344_100000211819 [0,2,0,0,0,0|1,0,0]=3 8012 B17R1.39 Cc1ccc(cc1)C(O)CNCCCCC=O 2230a_200020610344_100000139335 [0,2,0,0,0,0|1,0,0]=3 8013 B17R1.39 Cc1ccc(cc1)C(O)CNCCCCCF 2230a_200020610344_100000729378 [0,2,0,0,0,0|1,0,0]=3 8014 B17R1.39 Cc1ccc(cc1)C(O)CNCCCCCF 34a_200020610344_100000729378 [0,2,0,0,0,0|1,0,0]=3 8015 B17R1.39 Cc1ccc(cc1)C(O)CNCCCCCO 2230a_200020610344_100000746330 [0,2,0,0,0,0|1,0,0]=3 8016 B17R1.39 Cc1ccc(cc1)C(O)CNCCCCCO 34a_200020610344_100000746330 [0,2,0,0,0,0|1,0,0]=3 8017 B17R1.39 Cc1ccc(cc1)C(O)CNCCOCC#N 2230a_200020610344_200000047693 [0,2,0,0,0,0|1,0,1]=4 8018 B17R1.39 Cc1ccc(cc1)C(O)CNCCOCCO 2230a_200020610344_100011215305 [0,2,0,0,0,0|1,0,0]=3 8019 B17R1.39 Cc1ccc(cc1)C(O)CNCCOCCO 34a_200020610344_100000692535 [0,2,0,0,0,0|1,0,0]=3 8020 B17R1.39 N#CCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000211819 [0,2,0,0,0,0|1,0,0]=3 8021 B17R1.39 N#CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000211819 [0,2,0,0,0,0|1,0,0]=3 8022 B17R1.39 N#CCCCCSCC(O)c1ccc(cc1)Cl 62a_100011219923_200011996143 [0,2,0,0,0,0|2,0,0]=4 8023 B17R1.39 N#CCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211819 [0,2,0,0,0,0|2,0,0]=4 8024 B17R1.39 N#CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211819 [0,2,0,0,0,0|2,0,0]=4 8025 B17R1.39 N#CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100011219923_100000720402 [0,2,0,0,0,0|2,0,0]=4 8026 B17R1.39 N#CCOCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000047693 [0,2,0,0,0,0|1,0,1]=4 8027 B17R1.39 N#CCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000047693 [0,2,0,0,0,0|1,0,1]=4 8028 B17R1.39 NCCCCCOCC(O)c1ccc(cc1)Cl 34a_100000762737_200011996143 [0,2,0,0,0,0|2,0,0]=4 8029 B17R1.39 NCCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000762737_100000720402 [0,2,0,0,0,0|2,0,0]=4 8030 B17R1.39 NCCOCCOCC(O)c1ccc(cc1)Cl 34a_100000211614_200011996143 [0,2,0,0,0,0|2,0,0]=4 8031 B17R1.39 NCCOCCOC[C@H](O)c1ccc(cc1)F 34a_100000211614_100000720402 [0,2,0,0,0,0|2,0,0]=4 8032 B17R1.39 O=C(CCNCCCCO)c1ccc(cc1)O 2230a_100000750430_100009879949 [0,2,0,0,0,0|0,0,2]=4 8033 B17R1.39 O=C(CNCCCCCO)c1ccc(cc1)O 34a_100000762737_100009814261 [0,2,0,0,0,0|0,0,2]=4 8034 B17R1.39 O=C(CNCCOCCO)c1ccc(cc1)O 34a_100000211614_100009814261 [0,2,0,0,0,0|0,0,2]=4 8035 B17R1.39 O=CCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000139335 [0,2,0,0,0,0|1,0,0]=3 8036 B17R1.39 O=CCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000139335 [0,2,0,0,0,0|1,0,0]=3 8037 B17R1.39 O=CCCCCSCC(O)c1ccc(cc1)Cl 62a_100000139335_200011996143 [0,2,0,0,0,0|2,0,0]=4 8038 B17R1.39 O=CCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000139335 [0,2,0,0,0,0|2,0,0]=4 8039 B17R1.39 O=CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000139335_100000720402 [0,2,0,0,0,0|2,0,0]=4 8040 B17R1.39 O=CCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000139335 [0,2,0,0,0,0|2,0,0]=4 8041 B17R1.39 OC(CNCCCCCF)c1ccc(cc1)Br 2230a_100020626992_100000729378 [0,2,0,0,0,0|1,0,0]=3 8042 B17R1.39 OC(CNCCCCCF)c1ccc(cc1)Br 34a_100020626992_100000729378 [0,2,0,0,0,0|1,0,0]=3 8043 B17R1.39 OC(CNCCCCCF)c1ccc(cc1)Cl 2230a_100000736658_100000729378 [0,2,0,0,0,0|1,0,0]=3 8044 B17R1.39 OC(CNCCCCCF)c1ccc(cc1)Cl 34a_100000736658_100000729378 [0,2,0,0,0,0|1,0,0]=3 8045 B17R1.39 OC(COCCCCCBr)c1ccc(cc1)Cl 34a_100000746331_200011996143 [0,2,0,0,0,0|2,0,0]=4 8046 B17R1.39 OC(COCCCCCBr)c1ccc(cc1)Cl 7a_100000746331_200011996143 [0,2,0,0,0,0|2,0,0]=4 8047 B17R1.39 OC(COCCCCCCl)c1ccc(cc1)Cl 34a_100000746330_200011996143 [0,2,0,0,0,0|2,0,0]=4 8048 B17R1.39 OC(COCCCCCCl)c1ccc(cc1)Cl 7a_100000746330_200011996143 [0,2,0,0,0,0|2,0,0]=4 8049 B17R1.39 OC(COCCCCCI)c1ccc(cc1)Cl 34a_200012148887_200011996143 [0,2,0,0,0,0|2,0,0]=4 8050 B17R1.39 OC(COCCCCCI)c1ccc(cc1)Cl 7a_200012148887_200011996143 [0,2,0,0,0,0|2,0,0]=4 8051 B17R1.39 OC(COCCOCCBr)c1ccc(cc1)Cl 34a_100000692535_200011996143 [0,2,0,0,0,0|2,0,0]=4 8052 B17R1.39 OC(COCCOCCBr)c1ccc(cc1)Cl 7a_100000692535_200011996143 [0,2,0,0,0,0|2,0,0]=4 8053 B17R1.39 OC(COCCOCCCl)c1ccc(cc1)Cl 34a_100011215305_200011996143 [0,2,0,0,0,0|2,0,0]=4 8054 B17R1.39 OC(COCCOCCCl)c1ccc(cc1)Cl 7a_100011215305_200011996143 [0,2,0,0,0,0|2,0,0]=4 8055 B17R1.39 OC(COCCOCCF)c1ccc(cc1)Cl 34a_200015357709_200011996143 [0,2,0,0,0,0|2,0,0]=4 8056 B17R1.39 OC(COCCOCCF)c1ccc(cc1)Cl 7a_200015357709_200011996143 [0,2,0,0,0,0|2,0,0]=4 8057 B17R1.39 OC(COCCOCCI)c1ccc(cc1)Cl 34a_100012149058_200011996143 [0,2,0,0,0,0|2,0,0]=4 8058 B17R1.39 OC(COCCOCCI)c1ccc(cc1)Cl 7a_100012149058_200011996143 [0,2,0,0,0,0|2,0,0]=4 8059 B17R1.39 OC(CSCCCCCF)c1ccc(cc1)Cl 62a_100000729378_200011996143 [0,2,0,0,0,0|2,0,0]=4 8060 B17R1.39 OC(CSCCCCCF)c1ccc(cc1)Cl 62a_200011996143_100000729378 [0,2,0,0,0,0|2,0,0]=4 8061 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000746330 [0,2,0,0,0,0|1,0,0]=3 8062 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000746330 [0,2,0,0,0,0|1,0,0]=3 8063 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000746330 [0,2,0,0,0,0|1,0,0]=3 8064 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)Cl 2230a_100000762737_200011996143 [0,2,0,0,0,0|1,0,0]=3 8065 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000746330 [0,2,0,0,0,0|1,0,0]=3 8066 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)Cl 34a_100000762737_200011996143 [0,2,0,0,0,0|1,0,0]=3 8067 B17R1.39 OCCCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000746330 [0,2,0,0,0,0|0,0,0]=2 8068 B17R1.39 OCCCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000762737_100000720402 [0,2,0,0,0,0|1,0,0]=3 8069 B17R1.39 OCCCCCNC[C@H](O)c1ccc(cc1)F 34a_100000762737_100000720402 [0,2,0,0,0,0|1,0,0]=3 8070 B17R1.39 OCCCCCSCC(O)c1ccc(cc1)Cl 62a_100000746330_200011996143 [0,2,0,0,0,0|2,0,0]=4 8071 B17R1.39 OCCCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000746330 [0,2,0,0,0,0|2,0,0]=4 8072 B17R1.39 OCCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000746330 [0,2,0,0,0,0|2,0,0]=4 8073 B17R1.39 OCCCCCSC[C@H](O)c1ccc(cc1)F 62a_100000746330_100000720402 [0,2,0,0,0,0|2,0,0]=4 8074 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215305 [0,2,0,0,0,0|1,0,0]=3 8075 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000692535 [0,2,0,0,0,0|1,0,0]=3 8076 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000211614_200011996143 [0,2,0,0,0,0|1,0,0]=3 8077 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215305 [0,2,0,0,0,0|1,0,0]=3 8078 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)Cl 34a_100000211614_200011996143 [0,2,0,0,0,0|1,0,0]=3 8079 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000692535 [0,2,0,0,0,0|1,0,0]=3 8080 B17R1.39 OCCOCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000692535 [0,2,0,0,0,0|0,0,0]=2 8081 B17R1.39 OCCOCCNC[C@H](O)c1ccc(cc1)F 2230a_100000211614_100000720402 [0,2,0,0,0,0|1,0,0]=3 8082 B17R1.39 OCCOCCNC[C@H](O)c1ccc(cc1)F 34a_100000211614_100000720402 [0,2,0,0,0,0|1,0,0]=3 8083 B17R1.39 OCCOCCSCC(O)c1ccc(cc1)Cl 62a_100011215305_200011996143 [0,2,0,0,0,0|2,0,0]=4 8084 B17R1.39 OCCOCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215305 [0,2,0,0,0,0|2,0,0]=4 8085 B17R1.39 OCCOCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215305 [0,2,0,0,0,0|2,0,0]=4 8086 B17R1.39 OCCOCCSC[C@H](O)c1ccc(cc1)F 62a_100011215305_100000720402 [0,2,0,0,0,0|2,0,0]=4 8087 B17R1.39 OCCSCCNCC(O)c1ccc(cc1)Cl 2230a_100011219999_200011996143 [0,2,0,0,0,0|1,0,0]=3 8088 B17R1.39 OCCSCCNC[C@H](O)c1ccc(cc1)F 2230a_100011219999_100000720402 [0,2,0,0,0,0|1,0,0]=3 8089 B17R1.39 O[C@@H](COCCCCCBr)c1ccc(cc1)F 34a_100000746331_100000720402 [0,2,0,0,0,0|2,0,0]=4 8090 B17R1.39 O[C@@H](COCCCCCBr)c1ccc(cc1)F 7a_100000746331_100000720402 [0,2,0,0,0,0|2,0,0]=4 8091 B17R1.39 O[C@@H](COCCCCCCl)c1ccc(cc1)F 34a_100000746330_100000720402 [0,2,0,0,0,0|2,0,0]=4 8092 B17R1.39 O[C@@H](COCCCCCCl)c1ccc(cc1)F 7a_100000746330_100000720402 [0,2,0,0,0,0|2,0,0]=4 8093 B17R1.39 O[C@@H](COCCCCCI)c1ccc(cc1)F 34a_200012148887_100000720402 [0,2,0,0,0,0|2,0,0]=4 8094 B17R1.39 O[C@@H](COCCCCCI)c1ccc(cc1)F 7a_200012148887_100000720402 [0,2,0,0,0,0|2,0,0]=4 8095 B17R1.39 O[C@@H](COCCOCCBr)c1ccc(cc1)F 34a_100000692535_100000720402 [0,2,0,0,0,0|2,0,0]=4 8096 B17R1.39 O[C@@H](COCCOCCBr)c1ccc(cc1)F 7a_100000692535_100000720402 [0,2,0,0,0,0|2,0,0]=4 8097 B17R1.39 O[C@@H](COCCOCCCl)c1ccc(cc1)F 34a_100011215305_100000720402 [0,2,0,0,0,0|2,0,0]=4 8098 B17R1.39 O[C@@H](COCCOCCCl)c1ccc(cc1)F 7a_100011215305_100000720402 [0,2,0,0,0,0|2,0,0]=4 8099 B17R1.39 O[C@@H](COCCOCCF)c1ccc(cc1)F 34a_200015357709_100000720402 [0,2,0,0,0,0|2,0,0]=4 8100 B17R1.39 O[C@@H](COCCOCCF)c1ccc(cc1)F 7a_200015357709_100000720402 [0,2,0,0,0,0|2,0,0]=4 8101 B17R1.39 O[C@@H](COCCOCCI)c1ccc(cc1)F 34a_100012149058_100000720402 [0,2,0,0,0,0|2,0,0]=4 8102 B17R1.39 O[C@@H](COCCOCCI)c1ccc(cc1)F 7a_100012149058_100000720402 [0,2,0,0,0,0|2,0,0]=4 8103 B17R1.39 O[C@@H](CSCCCCCF)c1ccc(cc1)F 62a_100000720402_100000729378 [0,2,0,0,0,0|2,0,0]=4 8104 B17R1.39 O[C@@H](CSCCCCCF)c1ccc(cc1)F 62a_100000729378_100000720402 [0,2,0,0,0,0|2,0,0]=4 8105 B17R1.39 Oc1ccc(cc1)C(O)CNCCCCCF 34a_100000067596_100000729378 [0,2,0,0,0,0|0,0,0]=2 8106 B17R1.39 [N-]=[N+]=NCCCNCC(O)c1ccc(cc1)Cl 2230a_100000744732_200011996143 [0,2,0,0,0,0|2,0,0]=4 8107 B17R1.39 [N-]=[N+]=NCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000744732_100000720402 [0,2,0,0,0,0|2,0,0]=4 8108 B17R1.968 CC(CCN)COCC(O)c1ccc(cc1)Cl 34a_106354213184_200011996143 [0,2,0,0,0,0|2,0,0]=4 8109 B17R1.968 CC(CCN)COC[C@H](O)c1ccc(cc1)F 34a_106354213184_100000720402 [0,2,0,0,0,0|2,0,0]=4 8110 B17R1.968 CCCC(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000747444 [0,2,0,0,0,0|1,0,0]=3 8111 B17R1.968 CCCC(=O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000747444 [0,2,0,0,0,0|1,0,0]=3 8112 B17R1.968 CCCC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000747444 [0,2,0,0,0,0|1,0,0]=3 8113 B17R1.968 CCCC(=O)CSCC(O)c1ccc(cc1)Cl 62a_100000747444_200011996143 [0,2,0,0,0,0|2,0,0]=4 8114 B17R1.968 CCCC(=O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000747444 [0,2,0,0,0,0|2,0,0]=4 8115 B17R1.968 CCCC(=O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000747444 [0,2,0,0,0,0|2,0,0]=4 8116 B17R1.968 CCCC(=O)CSC[C@H](O)c1ccc(cc1)F 62a_100000747444_100000720402 [0,2,0,0,0,0|2,0,0]=4 8117 B17R1.968 CCCC(C)CNCC(C)c1ccc(cc1)O 270004a_200015188644_100000243154 [0,2,0,0,0,0|1,0,0]=3 8118 B17R1.968 CCCC(C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100011216630 [0,2,0,0,0,0|1,0,0]=3 8119 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011216630 [0,2,0,0,0,0|1,0,0]=3 8120 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100000243154 [0,2,0,0,0,0|1,0,0]=3 8121 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011216630 [0,2,0,0,0,0|1,0,0]=3 8122 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100011216630 [0,2,0,0,0,0|1,0,0]=3 8123 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)C 270004a_200020610344_100000243154 [0,2,0,0,0,0|1,0,0]=3 8124 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)C 34a_200020610344_100011216630 [0,2,0,0,0,0|1,0,0]=3 8125 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011216630 [0,2,0,0,0,0|1,0,0]=3 8126 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000243154 [0,2,0,0,0,0|1,0,0]=3 8127 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011216630 [0,2,0,0,0,0|1,0,0]=3 8128 B17R1.968 CCCC(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011216630 [0,2,0,0,0,0|0,0,0]=2 8129 B17R1.968 CCCC(C)COCC(O)c1ccc(cc1)Cl 34a_100000688023_200011996143 [0,2,0,0,0,0|2,0,0]=4 8130 B17R1.968 CCCC(C)COCC(O)c1ccc(cc1)Cl 7a_100000688023_200011996143 [0,2,0,0,0,0|2,0,0]=4 8131 B17R1.968 CCCC(C)COC[C@H](O)c1ccc(cc1)F 34a_100000688023_100000720402 [0,2,0,0,0,0|2,0,0]=4 8132 B17R1.968 CCCC(C)COC[C@H](O)c1ccc(cc1)F 7a_100000688023_100000720402 [0,2,0,0,0,0|2,0,0]=4 8133 B17R1.968 CCCC(C)CSCC(O)c1ccc(cc1)Cl 62a_100011216630_200011996143 [0,2,0,0,0,0|2,0,0]=4 8134 B17R1.968 CCCC(C)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011216630 [0,2,0,0,0,0|2,0,0]=4 8135 B17R1.968 CCCC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011216630 [0,2,0,0,0,0|2,0,0]=4 8136 B17R1.968 CCCC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100011216630_100000720402 [0,2,0,0,0,0|2,0,0]=4 8137 B17R1.968 CCCC(C)NCCC(=O)c1ccc(cc1)O 2230a_100000741246_100009879949 [0,2,0,0,0,0|0,0,2]=4 8138 B17R1.968 CCC[C@H](N)COCC(O)c1ccc(cc1)Cl 34a_100000732646_200011996143 [0,2,0,0,0,0|2,0,0]=4 8139 B17R1.968 CCC[C@H](N)COC[C@H](O)c1ccc(cc1)F 34a_100000732646_100000720402 [0,2,0,0,0,0|2,0,0]=4 8140 B17R1.968 CCNC(=O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000183381 [0,2,0,0,0,0|1,0,1]=4 8141 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000183381 [0,2,0,0,0,0|1,0,1]=4 8142 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000183381 [0,2,0,0,0,0|1,0,1]=4 8143 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000183381 [0,2,0,0,0,0|1,0,1]=4 8144 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000183381 [0,2,0,0,0,0|1,0,1]=4 8145 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000183381 [0,2,0,0,0,0|1,0,1]=4 8146 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100016988866_200011996143 [0,2,0,0,0,0|1,0,1]=4 8147 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000183381 [0,2,0,0,0,0|1,0,1]=4 8148 B17R1.968 CCNC(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000183381 [0,2,0,0,0,0|0,0,1]=3 8149 B17R1.968 CCNC(=O)CNC[C@H](O)c1ccc(cc1)F 2230a_100016988866_100000720402 [0,2,0,0,0,0|1,0,1]=4 8150 B17R1.968 CCOC(=O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000188475 [0,2,0,0,0,0|1,0,1]=4 8151 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000188475 [0,2,0,0,0,0|1,0,1]=4 8152 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000188475 [0,2,0,0,0,0|1,0,1]=4 8153 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100000188475 [0,2,0,0,0,0|1,0,1]=4 8154 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000188475 [0,2,0,0,0,0|1,0,1]=4 8155 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000188475 [0,2,0,0,0,0|1,0,1]=4 8156 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000188475 [0,2,0,0,0,0|1,0,1]=4 8157 B17R1.968 CCOC(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000188475 [0,2,0,0,0,0|0,0,1]=3 8158 B17R1.968 COCC(N)COCC(O)c1ccc(cc1)Cl 34a_100000724102_200011996143 [0,2,0,0,0,0|2,0,0]=4 8159 B17R1.968 COCC(N)COC[C@H](O)c1ccc(cc1)F 34a_100000724102_100000720402 [0,2,0,0,0,0|2,0,0]=4 8160 B17R1.968 COCC(O)CNCC(=O)c1ccc(cc1)O 34a_100000756049_100009814261 [0,2,0,0,0,0|0,0,2]=4 8161 B17R1.968 COCC(O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100011215053 [0,2,0,0,0,0|1,0,0]=3 8162 B17R1.968 COCC(O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011215053 [0,2,0,0,0,0|1,0,0]=3 8163 B17R1.968 COCC(O)CNCC(O)c1ccc(cc1)C 34a_200020610344_100011215053 [0,2,0,0,0,0|1,0,0]=3 8164 B17R1.968 COCC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000756049_200011996143 [0,2,0,0,0,0|1,0,0]=3 8165 B17R1.968 COCC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215053 [0,2,0,0,0,0|1,0,0]=3 8166 B17R1.968 COCC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000756049_200011996143 [0,2,0,0,0,0|1,0,0]=3 8167 B17R1.968 COCC(O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011215053 [0,2,0,0,0,0|0,0,0]=2 8168 B17R1.968 COCC(O)CNC[C@H](O)c1ccc(cc1)F 2230a_100000756049_100000720402 [0,2,0,0,0,0|1,0,0]=3 8169 B17R1.968 COCC(O)CNC[C@H](O)c1ccc(cc1)F 34a_100000756049_100000720402 [0,2,0,0,0,0|1,0,0]=3 8170 B17R1.968 COCC(O)CSCC(O)c1ccc(cc1)Cl 62a_100011215053_200011996143 [0,2,0,0,0,0|2,0,0]=4 8171 B17R1.968 COCC(O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215053 [0,2,0,0,0,0|2,0,0]=4 8172 B17R1.968 COCC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215053 [0,2,0,0,0,0|2,0,0]=4 8173 B17R1.968 COCC(O)CSC[C@H](O)c1ccc(cc1)F 62a_100011215053_100000720402 [0,2,0,0,0,0|2,0,0]=4 8174 B17R1.968 Cc1ccc(cc1)C(O)CNC[C@@H](O)CC#N 2230a_200020610344_100000001066 [0,2,0,0,0,0|1,0,1]=4 8175 B17R1.968 N#CC[C@H](O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000001066 [0,2,0,0,0,0|1,0,1]=4 8176 B17R1.968 N#CC[C@H](O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000001066 [0,2,0,0,0,0|1,0,1]=4 8177 B17R1.1059 CC(=CCCNCC(C)c1ccc(cc1)O)C 34a_200015188644_100011217483 [0,2,0,0,0,0|1,0,1]=4 8178 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)Br)C 2230a_100020626992_100011217483 [0,2,0,0,0,0|1,0,1]=4 8179 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)Br)C 34a_100020626992_100011217483 [0,2,0,0,0,0|1,0,1]=4 8180 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)C)C 2230a_200020610344_100011217483 [0,2,0,0,0,0|1,0,1]=4 8181 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)C)C 34a_200020610344_100011217483 [0,2,0,0,0,0|1,0,1]=4 8182 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)Cl)C 2230a_100000736658_100011217483 [0,2,0,0,0,0|1,0,1]=4 8183 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)Cl)C 34a_100000736658_100011217483 [0,2,0,0,0,0|1,0,1]=4 8184 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)O)C 34a_100000067596_100011217483 [0,2,0,0,0,0|0,0,1]=3 8185 B17R1.1059 CC(=O)CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000685027 [0,2,0,0,0,0|1,0,0]=3 8186 B17R1.1059 CC(=O)CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000685027 [0,2,0,0,0,0|1,0,0]=3 8187 B17R1.1059 CC(=O)CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000685027 [0,2,0,0,0,0|1,0,0]=3 8188 B17R1.1059 CC(=O)CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000685027 [0,2,0,0,0,0|1,0,0]=3 8189 B17R1.1059 CC(=O)CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000685027 [0,2,0,0,0,0|0,0,0]=2 8190 B17R1.1059 CC(=O)CCCOCC(O)c1ccc(cc1)Cl 34a_100000759063_200011996143 [0,2,0,0,0,0|2,0,0]=4 8191 B17R1.1059 CC(=O)CCCOCC(O)c1ccc(cc1)Cl 7a_100000759063_200011996143 [0,2,0,0,0,0|2,0,0]=4 8192 B17R1.1059 CC(=O)CCCOC[C@H](O)c1ccc(cc1)F 34a_100000759063_100000720402 [0,2,0,0,0,0|2,0,0]=4 8193 B17R1.1059 CC(=O)CCCOC[C@H](O)c1ccc(cc1)F 7a_100000759063_100000720402 [0,2,0,0,0,0|2,0,0]=4 8194 B17R1.1059 CC(=O)CCCSCC(O)c1ccc(cc1)Cl 62a_100011215641_200011996143 [0,2,0,0,0,0|2,0,0]=4 8195 B17R1.1059 CC(=O)CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215641 [0,2,0,0,0,0|2,0,0]=4 8196 B17R1.1059 CC(=O)CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215641 [0,2,0,0,0,0|2,0,0]=4 8197 B17R1.1059 CC(=O)CCCSC[C@H](O)c1ccc(cc1)F 62a_100011215641_100000720402 [0,2,0,0,0,0|2,0,0]=4 8198 B17R1.1059 CC(=O)NCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000189650 [0,2,0,0,0,0|1,0,1]=4 8199 B17R1.1059 CC(=O)NCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000189650 [0,2,0,0,0,0|1,0,1]=4 8200 B17R1.1059 CC(=O)NCCNCC(O)c1ccc(cc1)Cl 2230a_100000209853_200011996143 [0,2,0,0,0,0|1,0,1]=4 8201 B17R1.1059 CC(=O)NCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000189650 [0,2,0,0,0,0|1,0,1]=4 8202 B17R1.1059 CC(=O)NCCNC[C@H](O)c1ccc(cc1)F 2230a_100000209853_100000720402 [0,2,0,0,0,0|1,0,1]=4 8203 B17R1.1059 CC(=O)OCCNCC(C)c1ccc(cc1)O 34a_200015188644_100009814007 [0,2,0,0,0,0|1,0,1]=4 8204 B17R1.1059 CC(=O)OCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100009814007 [0,2,0,0,0,0|1,0,1]=4 8205 B17R1.1059 CC(=O)OCCNCC(O)c1ccc(cc1)C 34a_200020610344_100009814007 [0,2,0,0,0,0|1,0,1]=4 8206 B17R1.1059 CC(=O)OCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009814007 [0,2,0,0,0,0|1,0,1]=4 8207 B17R1.1059 CC(=O)OCCNCC(O)c1ccc(cc1)O 34a_100000067596_100009814007 [0,2,0,0,0,0|0,0,1]=3 8208 B17R1.1059 CC(C)CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011216152 [0,2,0,0,0,0|2,0,0]=4 8209 B17R1.1059 CC(C)CCCNCC(=O)c1ccc(cc1)O 34a_200000737386_100009814261 [0,2,0,0,0,0|0,0,2]=4 8210 B17R1.1059 CC(C)CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100011214892 [0,2,0,0,0,0|1,0,0]=3 8211 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011214892 [0,2,0,0,0,0|1,0,0]=3 8212 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011214892 [0,2,0,0,0,0|1,0,0]=3 8213 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011214892 [0,2,0,0,0,0|1,0,0]=3 8214 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)Cl 2230a_200000737386_200011996143 [0,2,0,0,0,0|1,0,0]=3 8215 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011214892 [0,2,0,0,0,0|1,0,0]=3 8216 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)Cl 34a_200000737386_200011996143 [0,2,0,0,0,0|1,0,0]=3 8217 B17R1.1059 CC(C)CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100011214892 [0,2,0,0,0,0|0,0,0]=2 8218 B17R1.1059 CC(C)CCCNC[C@H](O)c1ccc(cc1)F 2230a_200000737386_100000720402 [0,2,0,0,0,0|1,0,0]=3 8219 B17R1.1059 CC(C)CCCNC[C@H](O)c1ccc(cc1)F 34a_200000737386_100000720402 [0,2,0,0,0,0|1,0,0]=3 8220 B17R1.1059 CC(C)CCCOCC(O)c1ccc(cc1)Cl 34a_100000210774_200011996143 [0,2,0,0,0,0|2,0,0]=4 8221 B17R1.1059 CC(C)CCCOCC(O)c1ccc(cc1)Cl 7a_100000210774_200011996143 [0,2,0,0,0,0|2,0,0]=4 8222 B17R1.1059 CC(C)CCCOC[C@H](O)c1ccc(cc1)F 34a_100000210774_100000720402 [0,2,0,0,0,0|2,0,0]=4 8223 B17R1.1059 CC(C)CCCOC[C@H](O)c1ccc(cc1)F 7a_100000210774_100000720402 [0,2,0,0,0,0|2,0,0]=4 8224 B17R1.1059 CC(C)CCCSCC(O)c1ccc(cc1)Cl 62a_100011214892_200011996143 [0,2,0,0,0,0|2,0,0]=4 8225 B17R1.1059 CC(C)CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011214892 [0,2,0,0,0,0|2,0,0]=4 8226 B17R1.1059 CC(C)CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011214892 [0,2,0,0,0,0|2,0,0]=4 8227 B17R1.1059 CC(C)CCCSC[C@H](O)c1ccc(cc1)F 62a_100011214892_100000720402 [0,2,0,0,0,0|2,0,0]=4 8228 B17R1.1059 CC(C)NCCOCC(O)c1ccc(cc1)Cl 34a_100000224655_200011996143 [0,2,0,0,0,0|2,0,0]=4 8229 B17R1.1059 CC(C)NCCOC[C@H](O)c1ccc(cc1)F 34a_100000224655_100000720402 [0,2,0,0,0,0|2,0,0]=4 8230 B17R1.1059 CC(C)OCCNCC(=O)c1ccc(cc1)O 34a_100000701111_100009814261 [0,2,0,0,0,0|0,0,2]=4 8231 B17R1.1059 CC(C)OCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000211751 [0,2,0,0,0,0|1,0,0]=3 8232 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000211751 [0,2,0,0,0,0|1,0,0]=3 8233 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000211751 [0,2,0,0,0,0|1,0,0]=3 8234 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)Cl 2230a_100000701111_200011996143 [0,2,0,0,0,0|1,0,0]=3 8235 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000211751 [0,2,0,0,0,0|1,0,0]=3 8236 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)Cl 34a_100000701111_200011996143 [0,2,0,0,0,0|1,0,0]=3 8237 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000211751 [0,2,0,0,0,0|1,0,0]=3 8238 B17R1.1059 CC(C)OCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000211751 [0,2,0,0,0,0|0,0,0]=2 8239 B17R1.1059 CC(C)OCCNC[C@H](O)c1ccc(cc1)F 2230a_100000701111_100000720402 [0,2,0,0,0,0|1,0,0]=3 8240 B17R1.1059 CC(C)OCCNC[C@H](O)c1ccc(cc1)F 34a_100000701111_100000720402 [0,2,0,0,0,0|1,0,0]=3 8241 B17R1.1059 CC(C)OCCOCC(O)c1ccc(cc1)Cl 34a_100000211219_200011996143 [0,2,0,0,0,0|2,0,0]=4 8242 B17R1.1059 CC(C)OCCOCC(O)c1ccc(cc1)Cl 7a_100000211219_200011996143 [0,2,0,0,0,0|2,0,0]=4 8243 B17R1.1059 CC(C)OCCOC[C@H](O)c1ccc(cc1)F 34a_100000211219_100000720402 [0,2,0,0,0,0|2,0,0]=4 8244 B17R1.1059 CC(C)OCCOC[C@H](O)c1ccc(cc1)F 7a_100000211219_100000720402 [0,2,0,0,0,0|2,0,0]=4 8245 B17R1.1059 CC(C)OCCSCC(O)c1ccc(cc1)Cl 62a_100000211751_200011996143 [0,2,0,0,0,0|2,0,0]=4 8246 B17R1.1059 CC(C)OCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211751 [0,2,0,0,0,0|2,0,0]=4 8247 B17R1.1059 CC(C)OCCSC[C@H](O)c1ccc(cc1)F 62a_100000211751_100000720402 [0,2,0,0,0,0|2,0,0]=4 8248 B17R1.1059 CC(C)OCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211751 [0,2,0,0,0,0|2,0,0]=4 8249 B17R1.1059 CC(C)SCCNCC(=O)c1ccc(cc1)O 34a_100000731138_100009814261 [0,2,0,0,0,0|0,0,2]=4 8250 B17R1.1059 CC(C)SCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000730970 [0,2,0,0,0,0|1,0,0]=3 8251 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000730970 [0,2,0,0,0,0|1,0,0]=3 8252 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000730970 [0,2,0,0,0,0|1,0,0]=3 8253 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)Cl 2230a_100000731138_200011996143 [0,2,0,0,0,0|1,0,0]=3 8254 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000730970 [0,2,0,0,0,0|1,0,0]=3 8255 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)Cl 34a_100000731138_200011996143 [0,2,0,0,0,0|1,0,0]=3 8256 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000730970 [0,2,0,0,0,0|1,0,0]=3 8257 B17R1.1059 CC(C)SCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000730970 [0,2,0,0,0,0|0,0,0]=2 8258 B17R1.1059 CC(C)SCCNC[C@H](O)c1ccc(cc1)F 2230a_100000731138_100000720402 [0,2,0,0,0,0|1,0,0]=3 8259 B17R1.1059 CC(C)SCCNC[C@H](O)c1ccc(cc1)F 34a_100000731138_100000720402 [0,2,0,0,0,0|1,0,0]=3 8260 B17R1.1059 CC(C)SCCOCC(O)c1ccc(cc1)Cl 34a_200011212901_200011996143 [0,2,0,0,0,0|2,0,0]=4 8261 B17R1.1059 CC(C)SCCOCC(O)c1ccc(cc1)Cl 7a_200011212901_200011996143 [0,2,0,0,0,0|2,0,0]=4 8262 B17R1.1059 CC(C)SCCOC[C@H](O)c1ccc(cc1)F 34a_200011212901_100000720402 [0,2,0,0,0,0|2,0,0]=4 8263 B17R1.1059 CC(C)SCCOC[C@H](O)c1ccc(cc1)F 7a_200011212901_100000720402 [0,2,0,0,0,0|2,0,0]=4 8264 B17R1.1059 CC(C)SCCSCC(O)c1ccc(cc1)Cl 62a_100000730970_200011996143 [0,2,0,0,0,0|2,0,0]=4 8265 B17R1.1059 CC(C)SCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000730970 [0,2,0,0,0,0|2,0,0]=4 8266 B17R1.1059 CC(C)SCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000730970 [0,2,0,0,0,0|2,0,0]=4 8267 B17R1.1059 CC(C)SCCSC[C@H](O)c1ccc(cc1)F 62a_100000730970_100000720402 [0,2,0,0,0,0|2,0,0]=4 8268 B17R1.1059 CC(CNCCCC(=O)N)c1ccc(cc1)O 34a_200015188644_100102525003 [0,2,0,0,0,0|1,0,1]=4 8269 B17R1.1059 CC(O)CCCNCC(C)c1ccc(cc1)O 34a_200015188644_200000718107 [0,2,0,0,0,0|1,0,0]=3 8270 B17R1.1059 CC(O)CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000718107 [0,2,0,0,0,0|1,0,0]=3 8271 B17R1.1059 CC(O)CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_200000718107 [0,2,0,0,0,0|1,0,0]=3 8272 B17R1.1059 CC(O)CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000718107 [0,2,0,0,0,0|1,0,0]=3 8273 B17R1.1059 CC(O)CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000718107 [0,2,0,0,0,0|1,0,0]=3 8274 B17R1.1059 CC(O)CCCNCC(O)c1ccc(cc1)O 34a_100000067596_200000718107 [0,2,0,0,0,0|0,0,0]=2 8275 B17R1.1059 CC(O)CCCSCC(O)c1ccc(cc1)Cl 62a_200000718107_200011996143 [0,2,0,0,0,0|2,0,0]=4 8276 B17R1.1059 CC(O)CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000718107 [0,2,0,0,0,0|2,0,0]=4 8277 B17R1.1059 CC(O)CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000718107 [0,2,0,0,0,0|2,0,0]=4 8278 B17R1.1059 CC(O)CCCSC[C@H](O)c1ccc(cc1)F 62a_200000718107_100000720402 [0,2,0,0,0,0|2,0,0]=4 8279 B17R1.1059 CC(O)CCNCCC(=O)c1ccc(cc1)O 2230a_200000755665_100009879949 [0,2,0,0,0,0|0,0,2]=4 8280 B17R1.1059 CN(C)CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000757444 [0,2,0,0,0,0|2,0,0]=4 8281 B17R1.1059 CN(C)CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000757444 [0,2,0,0,0,0|2,0,0]=4 8282 B17R1.1059 CS(=O)CCCNCC(O)c1ccc(cc1)Cl 2230a_200000753449_200011996143 [0,2,0,0,0,0|1,0,0]=3 8283 B17R1.1059 CS(=O)CCCNC[C@H](O)c1ccc(cc1)F 2230a_200000753449_100000720402 [0,2,0,0,0,0|1,0,0]=3 8284 B17R1.1059 Cc1ccc(cc1)C(O)CNCCCC(=O)N 34a_200020610344_100102525003 [0,2,0,0,0,0|1,0,1]=4 8285 B17R1.1059 Cc1ccc(cc1)C(O)CNCCCC(C)C 2230a_200020610344_100011214892 [0,2,0,0,0,0|1,0,0]=3 8286 B17R1.1059 Cc1ccc(cc1)C(O)CNCCCC(C)C 34a_200020610344_100011214892 [0,2,0,0,0,0|1,0,0]=3 8287 B17R1.1059 Cc1ccc(cc1)C(O)CNCCCC(C)O 2230a_200020610344_200000718107 [0,2,0,0,0,0|1,0,0]=3 8288 B17R1.1059 Cc1ccc(cc1)C(O)CNCCCC(C)O 34a_200020610344_200000718107 [0,2,0,0,0,0|1,0,0]=3 8289 B17R1.1059 Cc1ccc(cc1)C(O)CNCCOC(C)C 2230a_200020610344_100000211751 [0,2,0,0,0,0|1,0,0]=3 8290 B17R1.1059 Cc1ccc(cc1)C(O)CNCCOC(C)C 34a_200020610344_100000211751 [0,2,0,0,0,0|1,0,0]=3 8291 B17R1.1059 Cc1ccc(cc1)C(O)CNCCSC(C)C 2230a_200020610344_100000730970 [0,2,0,0,0,0|1,0,0]=3 8292 B17R1.1059 Cc1ccc(cc1)C(O)CNCCSC(C)C 34a_200020610344_100000730970 [0,2,0,0,0,0|1,0,0]=3 8293 B17R1.1059 NC(=O)CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100102525003 [0,2,0,0,0,0|1,0,1]=4 8294 B17R1.1059 NC(=O)CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100102525003 [0,2,0,0,0,0|1,0,1]=4 8295 B17R1.1059 NC(=O)CCCNCC(O)c1ccc(cc1)Cl 34a_100000739312_200011996143 [0,2,0,0,0,0|1,0,1]=4 8296 B17R1.1059 NC(=O)CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100102525003 [0,2,0,0,0,0|0,0,1]=3 8297 B17R1.1059 NC(=O)CCCNC[C@H](O)c1ccc(cc1)F 34a_100000739312_100000720402 [0,2,0,0,0,0|1,0,1]=4 8298 B17R1.1059 NC(=O)OCCNCC(O)c1ccc(cc1)O 34a_100000067596_200011214921 [0,2,0,0,0,0|1,0,1]=4 8299 B17R1.1059 Oc1ccc(cc1)C(O)CNCCC=C(F)F 34a_100000067596_200009816681 [0,2,0,0,0,0|0,0,2]=4 8300 B17R1.1185 CC(CO)CCNCC(=O)c1ccc(cc1)O 34a_106354213184_100009814261 [0,2,0,0,0,0|0,0,2]=4 8301 B17R1.1185 CC(CO)CCNCC(O)c1ccc(cc1)Cl 2230a_106354213184_200011996143 [0,2,0,0,0,0|1,0,0]=3 8302 B17R1.1185 CC(CO)CCNCC(O)c1ccc(cc1)Cl 34a_106354213184_200011996143 [0,2,0,0,0,0|1,0,0]=3 8303 B17R1.1185 CC(CO)CCNC[C@H](O)c1ccc(cc1)F 2230a_106354213184_100000720402 [0,2,0,0,0,0|1,0,0]=3 8304 B17R1.1185 CC(CO)CCNC[C@H](O)c1ccc(cc1)F 34a_106354213184_100000720402 [0,2,0,0,0,0|1,0,0]=3 8305 B17R1.1185 CCC(C)CCNCC(O)c1ccc(cc1)Cl 2230a_100020591266_200011996143 [0,2,0,0,0,0|1,0,0]=3 8306 B17R1.1185 CCC(C)CCNC[C@H](O)c1ccc(cc1)F 2230a_100020591266_100000720402 [0,2,0,0,0,0|1,0,0]=3 8307 B17R1.1185 CCC(C)CCOCC(O)c1ccc(cc1)Cl 7a_100011215188_200011996143 [0,2,0,0,0,0|2,0,0]=4 8308 B17R1.1185 CCC(C)CCOC[C@H](O)c1ccc(cc1)F 7a_100011215188_100000720402 [0,2,0,0,0,0|2,0,0]=4 8309 B17R1.1185 CCC(C)CNCCC(=O)c1ccc(cc1)O 2230a_100020588543_100009879949 [0,2,0,0,0,0|0,0,2]=4 8310 B17R1.1185 CCC(O)CNCCC(=O)c1ccc(cc1)O 2230a_100011218483_100009879949 [0,2,0,0,0,0|0,0,2]=4 8311 B17R1.1185 CNC(=O)CCNCC(C)c1ccc(cc1)O 34a_200015188644_100012179268 [0,2,0,0,0,0|1,0,1]=4 8312 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000737683 [0,2,0,0,0,0|1,0,1]=4 8313 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100012179268 [0,2,0,0,0,0|1,0,1]=4 8314 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000737683 [0,2,0,0,0,0|1,0,1]=4 8315 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)C 34a_200020610344_100012179268 [0,2,0,0,0,0|1,0,1]=4 8316 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000737683 [0,2,0,0,0,0|1,0,1]=4 8317 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000738227_200011996143 [0,2,0,0,0,0|1,0,1]=4 8318 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100012179268 [0,2,0,0,0,0|1,0,1]=4 8319 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)Cl 34a_100000738227_200011996143 [0,2,0,0,0,0|1,0,1]=4 8320 B17R1.1185 CNC(=O)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100012179268 [0,2,0,0,0,0|0,0,1]=3 8321 B17R1.1185 CNC(=O)CCNC[C@H](O)c1ccc(cc1)F 2230a_100000738227_100000720402 [0,2,0,0,0,0|1,0,1]=4 8322 B17R1.1185 CNC(=O)CCNC[C@H](O)c1ccc(cc1)F 34a_100000738227_100000720402 [0,2,0,0,0,0|1,0,1]=4 8323 B17R1.1185 COC(=O)CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000742370 [0,2,0,0,0,0|1,0,1]=4 8324 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000204255 [0,2,0,0,0,0|1,0,1]=4 8325 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000742370 [0,2,0,0,0,0|1,0,1]=4 8326 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000204255 [0,2,0,0,0,0|1,0,1]=4 8327 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000742370 [0,2,0,0,0,0|1,0,1]=4 8328 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000204255 [0,2,0,0,0,0|1,0,1]=4 8329 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000742370 [0,2,0,0,0,0|1,0,1]=4 8330 B17R1.1185 COC(=O)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000742370 [0,2,0,0,0,0|0,0,1]=3 8331 B17R1.1185 COC(C)CCOCC(O)c1ccc(cc1)Cl 7a_100000764861_200011996143 [0,2,0,0,0,0|2,0,0]=4 8332 B17R1.1185 COC(C)CCOC[C@H](O)c1ccc(cc1)F 7a_100000764861_100000720402 [0,2,0,0,0,0|2,0,0]=4 8333 B17R1.1246 CC(C)(CNCCCCF)c1ccc(cc1)Cl 2230a_100000742012_100000729493 [0,2,0,0,0,0|2,0,0]=4 8334 B17R1.1246 CC(C)(CNCCCCO)c1ccc(cc1)Br 270004a_100000750430_100010228009 [0,2,0,0,0,0|2,0,0]=4 8335 B17R1.1246 CC(C)(CNCCCCO)c1ccc(cc1)Cl 2230a_100000742012_100000210776 [0,2,0,0,0,0|2,0,0]=4 8336 B17R1.1246 CCCCCNCC(C)(C)c1ccc(cc1)Br 270004a_100000209983_100010228009 [0,2,0,0,0,0|2,0,0]=4 8337 B17R1.1246 CCCCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210326 [0,2,0,0,0,0|2,0,0]=4 8338 B17R1.1246 CCOCCNCC(C)(C)c1ccc(cc1)Br 270004a_102516460346_100010228009 [0,2,0,0,0,0|2,0,0]=4 8339 B17R1.1246 CCOCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100011215890 [0,2,0,0,0,0|2,0,0]=4 8340 B17R1.1246 CCOCCNCC(F)(F)c1ccc(cc1)Br 34a_102516460346_100010185546 [0,2,0,0,0,0|2,0,0]=4 8341 B17R1.1246 CCSCCNCC(C)(C)c1ccc(cc1)Br 270004a_100000106463_100010228009 [0,2,0,0,0,0|2,0,0]=4 8342 B17R1.1246 CCSCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000757381 [0,2,0,0,0,0|2,0,0]=4 8343 B17R1.1246 COCCCNCC(C)(C)c1ccc(cc1)Br 270004a_100150723488_100010228009 [0,2,0,0,0,0|2,0,0]=4 8344 B17R1.1246 COCCCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000740836 [0,2,0,0,0,0|2,0,0]=4 8345 B17R1.1246 COCCCNCC(F)(F)c1ccc(cc1)Br 34a_100150723488_100010185546 [0,2,0,0,0,0|2,0,0]=4 8346 B17R1.1246 CSCCCNCC(C)(C)c1ccc(cc1)Br 270004a_100000749238_100010228009 [0,2,0,0,0,0|2,0,0]=4 8347 B17R1.1246 OCCCCNCC(F)(F)c1ccc(cc1)Br 34a_100000750430_100010185546 [0,2,0,0,0,0|2,0,0]=4 8348 B17R1.9256 C#CCCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000731252 [0,2,0,0,0,0|0,0,1]=3 8349 B17R1.9256 C#CCCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000695029 [0,2,0,0,0,0|0,0,1]=3 8350 B17R1.9256 C=CCCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100011713584 [0,2,0,0,0,0|0,0,1]=3 8351 B17R1.9256 C=CCCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000757094 [0,2,0,0,0,0|0,0,1]=3 8352 B17R1.9256 C=COCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000039644 [0,2,0,0,0,0|0,0,2]=4 8353 B17R1.9256 C=COCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000039644 [0,2,0,0,0,0|0,0,2]=4 8354 B17R1.9256 CC/C=C\CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100103147603 [0,2,0,0,0,0|0,0,1]=3 8355 B17R1.9256 CC/C=C\CNCC(O)c1ccc(cc1)OC 34a_100000738651_100103147603 [0,2,0,0,0,0|0,0,1]=3 8356 B17R1.9256 CCC#CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100009813939 [0,2,0,0,0,0|0,0,1]=3 8357 B17R1.9256 CCC#CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100009813939 [0,2,0,0,0,0|0,0,1]=3 8358 B17R1.9256 CCCCCCNC(C)c1ccc(cc1)CO 269862a_100000210581_100000082505 [0,2,0,0,0,0|2,0,0]=4 8359 B17R1.9256 CCCCCCNC(C)c1ccc(cc1)OC 269862a_100000210581_100000169859 [0,2,0,0,0,0|2,0,0]=4 8360 B17R1.9256 CCCCCCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210314 [0,2,0,0,0,0|2,0,0]=4 8361 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210314 [0,2,0,0,0,0|2,0,0]=4 8362 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210314 [0,2,0,0,0,0|2,0,0]=4 8363 B17R1.9256 CCCCCNCC(=O)c1ccc(cc1)OC 2230a_100000209983_100000212054 [0,2,0,0,0,0|0,0,2]=4 8364 B17R1.9256 CCCCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000210326 [0,2,0,0,0,0|0,0,0]=2 8365 B17R1.9256 CCCCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000718602 [0,2,0,0,0,0|0,0,0]=2 8366 B17R1.9256 CCCCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000718602 [0,2,0,0,0,0|2,0,0]=4 8367 B17R1.9256 CCCCNCCC(=O)c1ccc(cc1)OC 2230a_100000102301_100000700936 [0,2,0,0,0,0|0,0,2]=4 8368 B17R1.9256 CCCCNCCC(=O)c1ccc(cc1)OC 7a_106832991798_100000700936 [0,2,0,0,0,0|0,0,2]=4 8369 B17R1.9256 CCCCOCCC(N)c1ccc(cc1)OC 34a_100000752340_100000210210 [0,2,0,0,0,0|2,0,0]=4 8370 B17R1.9256 CCCCOCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100011995733 [0,2,0,0,0,0|2,0,0]=4 8371 B17R1.9256 CCCCOCOC(C)c1ccc(cc1)OC 34a_100000742907_100011995733 [0,2,0,0,0,0|2,0,0]=4 8372 B17R1.9256 CCOCCNCC(=O)c1ccc(cc1)OC 2230a_102516460346_100000212054 [0,2,0,0,0,0|0,0,2]=4 8373 B17R1.9256 CCOCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100011215890 [0,2,0,0,0,0|0,0,0]=2 8374 B17R1.9256 CCOCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000210147 [0,2,0,0,0,0|0,0,0]=2 8375 B17R1.9256 CCOCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000210147 [0,2,0,0,0,0|2,0,0]=4 8376 B17R1.9256 CCSCCNCC(=O)c1ccc(cc1)OC 2230a_100000106463_100000212054 [0,2,0,0,0,0|0,0,2]=4 8377 B17R1.9256 CCSCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000757381 [0,2,0,0,0,0|0,0,0]=2 8378 B17R1.9256 CCSCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000757381 [0,2,0,0,0,0|0,0,0]=2 8379 B17R1.9256 CCSCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000757381 [0,2,0,0,0,0|2,0,0]=4 8380 B17R1.9256 COCCCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000740836 [0,2,0,0,0,0|0,0,0]=2 8381 B17R1.9256 COCCCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000740836 [0,2,0,0,0,0|0,0,0]=2 8382 B17R1.9256 COCCCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000740836 [0,2,0,0,0,0|2,0,0]=4 8383 B17R1.9256 COc1ccc(cc1)C(=O)CNCCCCO 2230a_100000750430_100000212054 [0,2,0,0,0,0|0,0,2]=4 8384 B17R1.9256 COc1ccc(cc1)C(=O)CNCCCSC 2230a_100000749238_100000212054 [0,2,0,0,0,0|0,0,2]=4 8385 B17R1.9256 COc1ccc(cc1)C(N)COCCCCF 34a_100000751956_100000729493 [0,2,0,0,0,0|2,0,0]=4 8386 B17R1.9256 COc1ccc(cc1)C(N)COCCCCO 34a_100000751956_100011216708 [0,2,0,0,0,0|2,0,0]=4 8387 B17R1.9256 COc1ccc(cc1)C(O)CNCC#CCO 2230a_100000738651_200000047223 [0,2,0,0,0,0|0,0,2]=4 8388 B17R1.9256 COc1ccc(cc1)C(O)CNCC#CCO 34a_100000738651_200000047223 [0,2,0,0,0,0|0,0,2]=4 8389 B17R1.9256 COc1ccc(cc1)C(O)CNCCCC#N 2230a_100000738651_100000687738 [0,2,0,0,0,0|0,0,1]=3 8390 B17R1.9256 COc1ccc(cc1)C(O)CNCCCC=O 2230a_100000738651_200011292268 [0,2,0,0,0,0|0,0,1]=3 8391 B17R1.9256 COc1ccc(cc1)C(O)CNCCCCF 2230a_100000738651_100000729493 [0,2,0,0,0,0|0,0,0]=2 8392 B17R1.9256 COc1ccc(cc1)C(O)CNCCCCF 34a_100000738651_100000729493 [0,2,0,0,0,0|0,0,0]=2 8393 B17R1.9256 COc1ccc(cc1)C(O)CNCCCCO 2230a_100000738651_100000210776 [0,2,0,0,0,0|0,0,0]=2 8394 B17R1.9256 COc1ccc(cc1)C(O)CNCCCCO 34a_100000738651_100011216708 [0,2,0,0,0,0|0,0,0]=2 8395 B17R1.9269 C#CCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000695029 [0,2,0,0,0,0|0,0,1]=3 8396 B17R1.9269 C#CCCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000718082_100000761251 [0,2,0,0,0,0|1,0,1]=4 8397 B17R1.9269 C=CCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000757094 [0,2,0,0,0,0|0,0,1]=3 8398 B17R1.9269 C=CCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000700776_100000761251 [0,2,0,0,0,0|1,0,1]=4 8399 B17R1.9269 C=CCCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000700776_100000761251 [0,2,0,0,0,0|1,0,1]=4 8400 B17R1.9269 C=COCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000039644 [0,2,0,0,0,0|0,0,2]=4 8401 B17R1.9269 CC/C=C\CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100103147603 [0,2,0,0,0,0|0,0,1]=3 8402 B17R1.9269 CCC#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009813939 [0,2,0,0,0,0|0,0,1]=3 8403 B17R1.9269 CCCCCCNC(C)c1ccc(c(c1)Br)O 269862a_100000210581_100011772453 [0,2,0,0,0,0|2,0,0]=4 8404 B17R1.9269 CCCCCCNC(C)c1ccc(c(c1)C)O 269862a_100000210581_100000188726 [0,2,0,0,0,0|2,0,0]=4 8405 B17R1.9269 CCCCCCNC(C)c1ccc(c(c1)Cl)O 269862a_100000210581_100000188625 [0,2,0,0,0,0|2,0,0]=4 8406 B17R1.9269 CCCCCCNC(C)c1ccc(c(c1)F)O 269862a_100000210581_100000751691 [0,2,0,0,0,0|2,0,0]=4 8407 B17R1.9269 CCCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000718602 [0,2,0,0,0,0|0,0,0]=2 8408 B17R1.9269 CCCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000209983_100000761251 [0,2,0,0,0,0|1,0,0]=3 8409 B17R1.9269 CCCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210253_100000761251 [0,2,0,0,0,0|2,0,0]=4 8410 B17R1.9269 CCCCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210253_100000761251 [0,2,0,0,0,0|2,0,0]=4 8411 B17R1.9269 CCCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210326_100000761251 [0,2,0,0,0,0|2,0,0]=4 8412 B17R1.9269 CCCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210326 [0,2,0,0,0,0|2,0,0]=4 8413 B17R1.9269 CCOCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210147 [0,2,0,0,0,0|0,0,0]=2 8414 B17R1.9269 CCOCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_102516460346_100000761251 [0,2,0,0,0,0|1,0,0]=3 8415 B17R1.9269 CCOCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_102516460346_100000761251 [0,2,0,0,0,0|1,0,0]=3 8416 B17R1.9269 CCOCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210136_100000761251 [0,2,0,0,0,0|2,0,0]=4 8417 B17R1.9269 CCOCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210136_100000761251 [0,2,0,0,0,0|2,0,0]=4 8418 B17R1.9269 CCOCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210147_100000761251 [0,2,0,0,0,0|2,0,0]=4 8419 B17R1.9269 CCOCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100011215890 [0,2,0,0,0,0|2,0,0]=4 8420 B17R1.9269 CCSCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000757381 [0,2,0,0,0,0|0,0,0]=2 8421 B17R1.9269 CCSCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000106463_100000761251 [0,2,0,0,0,0|1,0,0]=3 8422 B17R1.9269 CCSCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000212035_100000761251 [0,2,0,0,0,0|2,0,0]=4 8423 B17R1.9269 CCSCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000212035_100000761251 [0,2,0,0,0,0|2,0,0]=4 8424 B17R1.9269 CCSCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000757381_100000761251 [0,2,0,0,0,0|2,0,0]=4 8425 B17R1.9269 CCSCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000757381 [0,2,0,0,0,0|2,0,0]=4 8426 B17R1.9269 CNCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000213112_100000761251 [0,2,0,0,0,0|2,0,0]=4 8427 B17R1.9269 COCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000740836 [0,2,0,0,0,0|0,0,0]=2 8428 B17R1.9269 COCCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100150723488_100000761251 [0,2,0,0,0,0|1,0,0]=3 8429 B17R1.9269 COCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000740835_100000761251 [0,2,0,0,0,0|2,0,0]=4 8430 B17R1.9269 COCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000709357_100000761251 [0,2,0,0,0,0|2,0,0]=4 8431 B17R1.9269 COCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000709357 [0,2,0,0,0,0|2,0,0]=4 8432 B17R1.9269 CSCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000749238_100000761251 [0,2,0,0,0,0|1,0,0]=3 8433 B17R1.9269 CSCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000690336_100000761251 [0,2,0,0,0,0|2,0,0]=4 8434 B17R1.9269 CSCCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000690336_100000761251 [0,2,0,0,0,0|2,0,0]=4 8435 B17R1.9269 NCCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000750430_100000761251 [0,2,0,0,0,0|2,0,0]=4 8436 B17R1.9269 OCCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000750430_100000761251 [0,2,0,0,0,0|1,0,0]=3 8437 B17R1.9269 OCCCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000750430_100000761251 [0,2,0,0,0,0|1,0,0]=3 8438 B17R1.9269 OCCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210776_100000761251 [0,2,0,0,0,0|2,0,0]=4 8439 B17R1.9269 OCCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210776 [0,2,0,0,0,0|2,0,0]=4 8440 B17R1.9269 O[C@H](COCCCCBr)c1ccc(c(c1)F)F 34a_100011216708_100000761251 [0,2,0,0,0,0|2,0,0]=4 8441 B17R1.9269 O[C@H](COCCCCCl)c1ccc(c(c1)F)F 34a_100000210776_100000761251 [0,2,0,0,0,0|2,0,0]=4 8442 B17R1.9269 O[C@H](COCCCCCl)c1ccc(c(c1)F)F 7a_100000210776_100000761251 [0,2,0,0,0,0|2,0,0]=4 8443 B17R1.9269 O[C@H](COCCCCF)c1ccc(c(c1)F)F 34a_100011995726_100000761251 [0,2,0,0,0,0|2,0,0]=4 8444 B17R1.9269 O[C@H](COCCCCF)c1ccc(c(c1)F)F 7a_100011995726_100000761251 [0,2,0,0,0,0|2,0,0]=4 8445 B17R1.9269 O[C@H](COCCCCI)c1ccc(c(c1)F)F 34a_200012148704_100000761251 [0,2,0,0,0,0|2,0,0]=4 8446 B17R1.9269 O[C@H](CSCCCCF)c1ccc(c(c1)F)F 62a_100000729493_100000761251 [0,2,0,0,0,0|2,0,0]=4 8447 B17R1.9269 O[C@H](CSCCCCF)c1ccc(c(c1)F)F 62a_100000761251_100000729493 [0,2,0,0,0,0|2,0,0]=4 8448 B17R1.9269 Oc1ccc(cc1O)C(O)CNCCCCF 34a_100000106456_100000729493 [0,2,0,0,0,0|0,0,0]=2 8449 B17R1.66846 C#CCCCNC[C@@H](O)c1ccc(cc1F)F 34a_100000718082_100000761269 [0,2,0,0,0,0|1,0,1]=4 8450 B17R1.66846 C#CCCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000718082_100000761231 [0,2,0,0,0,0|1,0,1]=4 8451 B17R1.66846 C=CCCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000700776_100000761269 [0,2,0,0,0,0|1,0,1]=4 8452 B17R1.66846 C=CCCCNC[C@@H](O)c1ccc(cc1F)F 34a_100000700776_100000761269 [0,2,0,0,0,0|1,0,1]=4 8453 B17R1.66846 C=CCCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000700776_100000761231 [0,2,0,0,0,0|1,0,1]=4 8454 B17R1.66846 C=CCCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000700776_100000761231 [0,2,0,0,0,0|1,0,1]=4 8455 B17R1.66846 CCCCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000209983_100000761269 [0,2,0,0,0,0|1,0,0]=3 8456 B17R1.66846 CCCCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000209983_100000761231 [0,2,0,0,0,0|1,0,0]=3 8457 B17R1.66846 CCCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000210253_100000761269 [0,2,0,0,0,0|2,0,0]=4 8458 B17R1.66846 CCCCCOC[C@@H](O)c1ccc(cc1F)F 7a_100000210253_100000761269 [0,2,0,0,0,0|2,0,0]=4 8459 B17R1.66846 CCCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000210253_100000761231 [0,2,0,0,0,0|2,0,0]=4 8460 B17R1.66846 CCCCCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000210253_100000761231 [0,2,0,0,0,0|2,0,0]=4 8461 B17R1.66846 CCCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210326_100000761269 [0,2,0,0,0,0|2,0,0]=4 8462 B17R1.66846 CCCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210326 [0,2,0,0,0,0|2,0,0]=4 8463 B17R1.66846 CCCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210326_100000761231 [0,2,0,0,0,0|2,0,0]=4 8464 B17R1.66846 CCCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210326 [0,2,0,0,0,0|2,0,0]=4 8465 B17R1.66846 CCOCCNCC(=O)c1ccc(cc1O)O 34a_102516460346_100009814262 [0,2,0,0,0,0|0,0,2]=4 8466 B17R1.66846 CCOCCNC[C@@H](O)c1ccc(cc1F)F 2230a_102516460346_100000761269 [0,2,0,0,0,0|1,0,0]=3 8467 B17R1.66846 CCOCCNC[C@@H](O)c1ccc(cc1F)F 34a_102516460346_100000761269 [0,2,0,0,0,0|1,0,0]=3 8468 B17R1.66846 CCOCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_102516460346_100000761231 [0,2,0,0,0,0|1,0,0]=3 8469 B17R1.66846 CCOCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_102516460346_100000761231 [0,2,0,0,0,0|1,0,0]=3 8470 B17R1.66846 CCOCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000210136_100000761269 [0,2,0,0,0,0|2,0,0]=4 8471 B17R1.66846 CCOCCOC[C@@H](O)c1ccc(cc1F)F 7a_100000210136_100000761269 [0,2,0,0,0,0|2,0,0]=4 8472 B17R1.66846 CCOCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000210136_100000761231 [0,2,0,0,0,0|2,0,0]=4 8473 B17R1.66846 CCOCCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000210136_100000761231 [0,2,0,0,0,0|2,0,0]=4 8474 B17R1.66846 CCOCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210147_100000761269 [0,2,0,0,0,0|2,0,0]=4 8475 B17R1.66846 CCOCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100011215890 [0,2,0,0,0,0|2,0,0]=4 8476 B17R1.66846 CCOCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210147_100000761231 [0,2,0,0,0,0|2,0,0]=4 8477 B17R1.66846 CCOCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100011215890 [0,2,0,0,0,0|2,0,0]=4 8478 B17R1.66846 CCSCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000106463_100000761269 [0,2,0,0,0,0|1,0,0]=3 8479 B17R1.66846 CCSCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000106463_100000761231 [0,2,0,0,0,0|1,0,0]=3 8480 B17R1.66846 CCSCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000212035_100000761269 [0,2,0,0,0,0|2,0,0]=4 8481 B17R1.66846 CCSCCOC[C@@H](O)c1ccc(cc1F)F 7a_100000212035_100000761269 [0,2,0,0,0,0|2,0,0]=4 8482 B17R1.66846 CCSCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000212035_100000761231 [0,2,0,0,0,0|2,0,0]=4 8483 B17R1.66846 CCSCCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000212035_100000761231 [0,2,0,0,0,0|2,0,0]=4 8484 B17R1.66846 CCSCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000757381_100000761269 [0,2,0,0,0,0|2,0,0]=4 8485 B17R1.66846 CCSCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000757381 [0,2,0,0,0,0|2,0,0]=4 8486 B17R1.66846 CCSCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000757381_100000761231 [0,2,0,0,0,0|2,0,0]=4 8487 B17R1.66846 CCSCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000757381 [0,2,0,0,0,0|2,0,0]=4 8488 B17R1.66846 CNCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000213112_100000761269 [0,2,0,0,0,0|2,0,0]=4 8489 B17R1.66846 CNCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000213112_100000761231 [0,2,0,0,0,0|2,0,0]=4 8490 B17R1.66846 COCCCNCC(=O)c1ccc(cc1O)O 34a_100150723488_100009814262 [0,2,0,0,0,0|0,0,2]=4 8491 B17R1.66846 COCCCNC[C@@H](O)c1ccc(cc1F)F 34a_100150723488_100000761269 [0,2,0,0,0,0|1,0,0]=3 8492 B17R1.66846 COCCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100150723488_100000761231 [0,2,0,0,0,0|1,0,0]=3 8493 B17R1.66846 COCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000740835_100000761269 [0,2,0,0,0,0|2,0,0]=4 8494 B17R1.66846 COCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000740835_100000761231 [0,2,0,0,0,0|2,0,0]=4 8495 B17R1.66846 COCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000709357_100000761269 [0,2,0,0,0,0|2,0,0]=4 8496 B17R1.66846 COCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000709357 [0,2,0,0,0,0|2,0,0]=4 8497 B17R1.66846 COCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000709357_100000761231 [0,2,0,0,0,0|2,0,0]=4 8498 B17R1.66846 COCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000709357 [0,2,0,0,0,0|2,0,0]=4 8499 B17R1.66846 CSCCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000749238_100000761269 [0,2,0,0,0,0|1,0,0]=3 8500 B17R1.66846 CSCCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000749238_100000761231 [0,2,0,0,0,0|1,0,0]=3 8501 B17R1.66846 CSCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000690336_100000761269 [0,2,0,0,0,0|2,0,0]=4 8502 B17R1.66846 CSCCCOC[C@@H](O)c1ccc(cc1F)F 7a_100000690336_100000761269 [0,2,0,0,0,0|2,0,0]=4 8503 B17R1.66846 CSCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000690336_100000761231 [0,2,0,0,0,0|2,0,0]=4 8504 B17R1.66846 CSCCCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000690336_100000761231 [0,2,0,0,0,0|2,0,0]=4 8505 B17R1.66846 NCCCCOC[C@@H](O)c1ccc(cc1F)F 34a_100000750430_100000761269 [0,2,0,0,0,0|2,0,0]=4 8506 B17R1.66846 NCCCCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000750430_100000761231 [0,2,0,0,0,0|2,0,0]=4 8507 B17R1.66846 O=C(CNCCCCO)c1ccc(cc1O)O 34a_100000750430_100009814262 [0,2,0,0,0,0|0,0,2]=4 8508 B17R1.66846 OCCCCNC[C@@H](O)c1ccc(cc1F)F 2230a_100000750430_100000761269 [0,2,0,0,0,0|1,0,0]=3 8509 B17R1.66846 OCCCCNC[C@@H](O)c1ccc(cc1F)F 34a_100000750430_100000761269 [0,2,0,0,0,0|1,0,0]=3 8510 B17R1.66846 OCCCCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000750430_100000761231 [0,2,0,0,0,0|1,0,0]=3 8511 B17R1.66846 OCCCCNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000750430_100000761231 [0,2,0,0,0,0|1,0,0]=3 8512 B17R1.66846 OCCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210776_100000761269 [0,2,0,0,0,0|2,0,0]=4 8513 B17R1.66846 OCCCCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210776 [0,2,0,0,0,0|2,0,0]=4 8514 B17R1.66846 OCCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210776_100000761231 [0,2,0,0,0,0|2,0,0]=4 8515 B17R1.66846 OCCCCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210776 [0,2,0,0,0,0|2,0,0]=4 8516 B17R1.66846 O[C@@H](COCCCCBr)c1ccc(cc1Cl)Cl 34a_100011216708_100000761231 [0,2,0,0,0,0|2,0,0]=4 8517 B17R1.66846 O[C@@H](COCCCCCl)c1ccc(cc1Cl)Cl 34a_100000210776_100000761231 [0,2,0,0,0,0|2,0,0]=4 8518 B17R1.66846 O[C@@H](COCCCCCl)c1ccc(cc1Cl)Cl 7a_100000210776_100000761231 [0,2,0,0,0,0|2,0,0]=4 8519 B17R1.66846 O[C@@H](COCCCCF)c1ccc(cc1Cl)Cl 34a_100011995726_100000761231 [0,2,0,0,0,0|2,0,0]=4 8520 B17R1.66846 O[C@@H](COCCCCF)c1ccc(cc1Cl)Cl 7a_100011995726_100000761231 [0,2,0,0,0,0|2,0,0]=4 8521 B17R1.66846 O[C@@H](COCCCCI)c1ccc(cc1Cl)Cl 34a_200012148704_100000761231 [0,2,0,0,0,0|2,0,0]=4 8522 B17R1.66846 O[C@@H](CSCCCCF)c1ccc(cc1Cl)Cl 62a_100000729493_100000761231 [0,2,0,0,0,0|2,0,0]=4 8523 B17R1.66846 O[C@@H](CSCCCCF)c1ccc(cc1Cl)Cl 62a_100000761231_100000729493 [0,2,0,0,0,0|2,0,0]=4 8524 B17R1.66846 O[C@H](COCCCCBr)c1ccc(cc1F)F 34a_100011216708_100000761269 [0,2,0,0,0,0|2,0,0]=4 8525 B17R1.66846 O[C@H](COCCCCCl)c1ccc(cc1F)F 34a_100000210776_100000761269 [0,2,0,0,0,0|2,0,0]=4 8526 B17R1.66846 O[C@H](COCCCCCl)c1ccc(cc1F)F 7a_100000210776_100000761269 [0,2,0,0,0,0|2,0,0]=4 8527 B17R1.66846 O[C@H](COCCCCF)c1ccc(cc1F)F 34a_100011995726_100000761269 [0,2,0,0,0,0|2,0,0]=4 8528 B17R1.66846 O[C@H](COCCCCF)c1ccc(cc1F)F 7a_100011995726_100000761269 [0,2,0,0,0,0|2,0,0]=4 8529 B17R1.66846 O[C@H](COCCCCI)c1ccc(cc1F)F 34a_200012148704_100000761269 [0,2,0,0,0,0|2,0,0]=4 8530 B17R1.66846 O[C@H](CSCCCCF)c1ccc(cc1F)F 62a_100000729493_100000761269 [0,2,0,0,0,0|2,0,0]=4 8531 B17R1.66846 O[C@H](CSCCCCF)c1ccc(cc1F)F 62a_100000761269_100000729493 [0,2,0,0,0,0|2,0,0]=4 8532 B17R1.1085 CC(C)CCNCC(C)(C)c1ccc(cc1)Br 270004a_100000210545_100010228009 [0,2,0,0,0,0|2,0,0]=4 8533 B17R1.1085 CC(C)CCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210312 [0,2,0,0,0,0|2,0,0]=4 8534 B17R1.1085 CC(C)CCNCC(C)(C)c1ccc(cc1)Cl 269862a_100000742012_100000185833 [0,2,0,0,0,0|2,0,0]=4 8535 B17R1.1085 CC(O)CCNCC(C)(C)c1ccc(cc1)Br 270004a_200000755665_100010228009 [0,2,0,0,0,0|2,0,0]=4 8536 B17R1.1085 CC(O)CCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100012276601 [0,2,0,0,0,0|2,0,0]=4 8537 B17R1.1160 CCC(C)CNCC(C)(C)c1ccc(cc1)Br 270004a_100020588543_100010228009 [0,2,0,0,0,0|2,0,0]=4 8538 B17R1.1160 CCC(C)CNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000748023 [0,2,0,0,0,0|2,0,0]=4 8539 B17R1.1160 CCC(C)CNCC(C)(C)c1ccc(cc1)Cl 270004a_100000742012_100000243153 [0,2,0,0,0,0|2,0,0]=4 8540 B17R1.1160 CCC(O)CNCC(C)(C)c1ccc(cc1)Br 270004a_100011218483_100010228009 [0,2,0,0,0,0|2,0,0]=4 8541 B17R1.1160 CCC(O)CNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100011218378 [0,2,0,0,0,0|2,0,0]=4 8542 B17R1.1160 CC[C@H](C)CNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100009816398 [0,2,0,0,0,0|2,0,0]=4 8543 B17R1.17077 CCCCNCC(C)(C)c1ccc(cc1)OC 2230a_100000747246_100000210211 [0,2,0,0,0,0|1,0,0]=3 8544 B17R1.17077 COCCNCC(C)(C)c1ccc(cc1)OC 2230a_100000747246_100011201679 [0,2,0,0,0,0|2,0,0]=4 8545 B17R1.17077 COc1ccc(cc1)C(C)(C)CNCCCF 2230a_100000747246_100011934791 [0,2,0,0,0,0|2,0,0]=4 8546 B17R1.17077 COc1ccc(cc1)C(C)(C)CNCCCO 2230a_100000747246_100000230001 [0,2,0,0,0,0|2,0,0]=4 8547 B17R1.17077 COc1ccc(cc1)C(C)(C)CNCCSC 2230a_100000747246_100000751147 [0,2,0,0,0,0|2,0,0]=4 8548 B17R1.17092 CCCCNCC(C)(C)c1ccc(c(c1)Cl)Cl 2230a_100000747966_100000210211 [0,2,0,0,0,0|2,0,0]=4 8549 B17R1.17092 CCCCNCC(C)(C)c1ccc(c(c1)Cl)Cl 34a_100000747966_100000210210 [0,2,0,0,0,0|2,0,0]=4 8550 B17R1.107589 CCCCNCC(F)(F)c1ccc(cc1F)F 2230a_100025771782_100000210211 [0,2,0,0,0,0|2,0,0]=4 8551 B17R1.107589 CCCCNCC(F)(F)c1ccc(cc1F)F 34a_100025771782_100000210210 [0,2,0,0,0,0|2,0,0]=4 8552 B17R1.239 C=C(C)CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000730704 [0,2,0,0,0,0|0,0,1]=3 8553 B17R1.239 C=C(C)CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000730704 [0,2,0,0,0,0|0,0,1]=3 8554 B17R1.239 COc1ccc(cc1)C(=O)CNCCC(C)O 2230a_200000755665_100000212054 [0,2,0,0,0,0|0,0,2]=4 8555 B17R1.239 COc1ccc(cc1)C(N)COCCC(C)C 34a_100000751956_100000210312 [0,2,0,0,0,0|2,0,0]=4 8556 B17R1.239 COc1ccc(cc1)C(N)COCCC(C)O 34a_100000751956_100012276601 [0,2,0,0,0,0|2,0,0]=4 8557 B17R1.239 COc1ccc(cc1)C(O)CNCC=C(C)C 2230a_100000738651_100000761012 [0,2,0,0,0,0|0,0,2]=4 8558 B17R1.239 COc1ccc(cc1)C(O)CNCC=C(C)C 34a_100000738651_100000761012 [0,2,0,0,0,0|0,0,2]=4 8559 B17R1.239 COc1ccc(cc1)C(O)CNCCC(=O)N 2230a_100000738651_100000744528 [0,2,0,0,0,0|1,0,1]=4 8560 B17R1.239 COc1ccc(cc1)C(O)CNCCC(=O)N 34a_100000738651_100000731001 [0,2,0,0,0,0|1,0,1]=4 8561 B17R1.239 COc1ccc(cc1)C(O)CNCCC(C)C 2230a_100000738651_100000210312 [0,2,0,0,0,0|0,0,0]=2 8562 B17R1.239 COc1ccc(cc1)C(O)CNCCC(C)C 269862a_100000738651_100000185833 [0,2,0,0,0,0|0,0,0]=2 8563 B17R1.239 COc1ccc(cc1)C(O)CNCCC(C)C 34a_100000738651_100000210312 [0,2,0,0,0,0|0,0,0]=2 8564 B17R1.239 COc1ccc(cc1)C(O)CNCCC(C)O 2230a_100000738651_100012276601 [0,2,0,0,0,0|0,0,0]=2 8565 B17R1.239 COc1ccc(cc1)C(O)CNCCC(C)O 34a_100000738651_100012276601 [0,2,0,0,0,0|0,0,0]=2 8566 B17R1.239 COc1ccc(cc1)C(O)CNCOC(=O)C 34a_100000738651_100009813279 [0,2,0,0,0,0|1,0,1]=4 8567 B17R1.239 COc1ccc(cc1)C(O)CNCOC(C)C 2230a_100000738651_100000709892 [0,2,0,0,0,0|1,0,0]=3 8568 B17R1.239 COc1ccc(cc1)C(O)CNCOC(C)C 34a_100000738651_100000709892 [0,2,0,0,0,0|1,0,0]=3 8569 B17R1.1061 CC(=O)C(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011261029 [0,2,0,0,0,0|0,0,2]=4 8570 B17R1.1061 CC(C)C(=O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000753385 [0,2,0,0,0,0|1,0,1]=4 8571 B17R1.1061 CC(C)C(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000753385 [0,2,0,0,0,0|1,0,1]=4 8572 B17R1.1061 CC(C)C(=O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000753385 [0,2,0,0,0,0|1,0,1]=4 8573 B17R1.1061 CC(C)C(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000753385 [0,2,0,0,0,0|1,0,1]=4 8574 B17R1.1061 CC(C)C(=O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000753385 [0,2,0,0,0,0|1,0,1]=4 8575 B17R1.1061 CC(C)C(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000753385 [0,2,0,0,0,0|0,0,1]=3 8576 B17R1.1061 CC(C)C(O)CNCC(=O)c1ccc(cc1)O 34a_100000759067_100009814261 [0,2,0,0,0,0|0,0,2]=4 8577 B17R1.1061 CC(C)C(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000759067_200011996143 [0,2,0,0,0,0|1,0,0]=3 8578 B17R1.1061 CC(C)C(O)CNCC(O)c1ccc(cc1)Cl 34a_100000759067_200011996143 [0,2,0,0,0,0|1,0,0]=3 8579 B17R1.1061 CC(C)C(O)CNC[C@H](O)c1ccc(cc1)F 2230a_100000759067_100000720402 [0,2,0,0,0,0|1,0,0]=3 8580 B17R1.1061 CC(C)C(O)CNC[C@H](O)c1ccc(cc1)F 34a_100000759067_100000720402 [0,2,0,0,0,0|1,0,0]=3 8581 B17R1.1061 CC(C)[C@@H](N)COCC(O)c1ccc(cc1)Cl 34a_100011830312_200011996143 [0,2,0,0,0,0|2,0,0]=4 8582 B17R1.1061 CC(C)[C@@H](N)COC[C@H](O)c1ccc(cc1)F 34a_100011830312_100000720402 [0,2,0,0,0,0|2,0,0]=4 8583 B17R1.1061 CN(C)C(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000692301 [0,2,0,0,0,0|1,0,1]=4 8584 B17R1.1061 Cc1ccc(cc1)C(O)CNCC(=O)C(C)C 2230a_200020610344_100000753385 [0,2,0,0,0,0|1,0,1]=4 8585 B17R1.1061 Cc1ccc(cc1)C(O)CNCC(=O)C(C)C 34a_200020610344_100000753385 [0,2,0,0,0,0|1,0,1]=4 8586 B17R1.1072 CC(C)(C)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000755188 [0,2,0,0,0,0|1,0,0]=3 8587 B17R1.1072 CC(C)(C)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000755188 [0,2,0,0,0,0|1,0,0]=3 8588 B17R1.1072 CC(C)(C)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000755188 [0,2,0,0,0,0|1,0,0]=3 8589 B17R1.1072 CC(C)(C)CCNCC(O)c1ccc(cc1)Cl 2230a_100000738805_200011996143 [0,2,0,0,0,0|1,0,0]=3 8590 B17R1.1072 CC(C)(C)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000755188 [0,2,0,0,0,0|1,0,0]=3 8591 B17R1.1072 CC(C)(C)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000755188 [0,2,0,0,0,0|0,0,0]=2 8592 B17R1.1072 CC(C)(C)CCNC[C@H](O)c1ccc(cc1)F 2230a_100000738805_100000720402 [0,2,0,0,0,0|1,0,0]=3 8593 B17R1.1072 CC(C)(C)CCOCC(O)c1ccc(cc1)Cl 7a_100000765024_200011996143 [0,2,0,0,0,0|2,0,0]=4 8594 B17R1.1072 CC(C)(C)CCOC[C@H](O)c1ccc(cc1)F 7a_100000765024_100000720402 [0,2,0,0,0,0|2,0,0]=4 8595 B17R1.1072 CC(C)(C)CCSCC(O)c1ccc(cc1)Cl 62a_100000755188_200011996143 [0,2,0,0,0,0|2,0,0]=4 8596 B17R1.1072 CC(C)(C)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000755188 [0,2,0,0,0,0|2,0,0]=4 8597 B17R1.1072 CC(C)(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000755188 [0,2,0,0,0,0|2,0,0]=4 8598 B17R1.1072 CC(C)(C)CCSC[C@H](O)c1ccc(cc1)F 62a_100000755188_100000720402 [0,2,0,0,0,0|2,0,0]=4 8599 B17R1.1072 CC(C)(F)CCNCC(O)c1ccc(cc1)Cl 2230a_100016253952_200011996143 [0,2,0,0,0,0|1,0,0]=3 8600 B17R1.1072 CC(C)(F)CCNC[C@H](O)c1ccc(cc1)F 2230a_100016253952_100000720402 [0,2,0,0,0,0|1,0,0]=3 8601 B17R1.1072 CC(C)(O)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000702414 [0,2,0,0,0,0|1,0,0]=3 8602 B17R1.1072 CC(C)(O)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000702414 [0,2,0,0,0,0|1,0,0]=3 8603 B17R1.1072 CC(C)(O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000702414 [0,2,0,0,0,0|1,0,0]=3 8604 B17R1.1072 CC(C)(O)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000702414 [0,2,0,0,0,0|1,0,0]=3 8605 B17R1.1072 CC(C)(O)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000702414 [0,2,0,0,0,0|0,0,0]=2 8606 B17R1.1072 CC(C)(O)CCSCC(O)c1ccc(cc1)Cl 62a_100000702414_200011996143 [0,2,0,0,0,0|2,0,0]=4 8607 B17R1.1072 CC(C)(O)CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000702414 [0,2,0,0,0,0|2,0,0]=4 8608 B17R1.1072 CC(C)(O)CCSC[C@H](O)c1ccc(cc1)F 62a_100000702414_100000720402 [0,2,0,0,0,0|2,0,0]=4 8609 B17R1.1072 CC(C)(O)CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000702414 [0,2,0,0,0,0|2,0,0]=4 8610 B17R1.1072 CC(CNCCC(C)(C)C)c1ccc(cc1)O 34a_200015188644_100000755188 [0,2,0,0,0,0|1,0,0]=3 8611 B17R1.1072 CC(CNCCC(C)(C)O)c1ccc(cc1)O 34a_200015188644_100000702414 [0,2,0,0,0,0|1,0,0]=3 8612 B17R1.1072 CC(CNCCC(F)(F)F)c1ccc(cc1)O 34a_200015188644_100011219754 [0,2,0,0,0,0|2,0,0]=4 8613 B17R1.1072 CC(CNCCS(=O)(=O)C)c1ccc(cc1)O 34a_200015188644_100000731031 [0,2,0,0,0,0|2,0,0]=4 8614 B17R1.1072 CC(CNCC[N+](C)(C)C)c1ccc(cc1)O 34a_200015188644_100000085578 [0,2,0,0,0,0|2,0,0]=4 8615 B17R1.1072 CC(CNCC[Si](C)(C)C)c1ccc(cc1)O 34a_200015188644_200000733723 [0,2,0,0,0,0|1,1,0]=4 8616 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000731031 [0,2,0,0,0,0|2,0,0]=4 8617 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000731031 [0,2,0,0,0,0|2,0,0]=4 8618 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000731031 [0,2,0,0,0,0|2,0,0]=4 8619 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)Cl 2230a_100000740961_200011996143 [0,2,0,0,0,0|2,0,0]=4 8620 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000731031 [0,2,0,0,0,0|2,0,0]=4 8621 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)Cl 34a_100000740961_200011996143 [0,2,0,0,0,0|2,0,0]=4 8622 B17R1.1072 CS(=O)(=O)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000731031 [0,2,0,0,0,0|1,0,0]=3 8623 B17R1.1072 CS(=O)(=O)CCNC[C@H](O)c1ccc(cc1)F 2230a_100000740961_100000720402 [0,2,0,0,0,0|2,0,0]=4 8624 B17R1.1072 CS(=O)(=O)CCNC[C@H](O)c1ccc(cc1)F 34a_100000740961_100000720402 [0,2,0,0,0,0|2,0,0]=4 8625 B17R1.1072 C[N+](C)(C)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000085578 [0,2,0,0,0,0|2,0,0]=4 8626 B17R1.1072 C[N+](C)(C)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000085578 [0,2,0,0,0,0|2,0,0]=4 8627 B17R1.1072 C[N+](C)(C)CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000085578 [0,2,0,0,0,0|1,0,0]=3 8628 B17R1.1072 C[Si](C)(C)CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000733723 [0,2,0,0,0,0|1,1,0]=4 8629 B17R1.1072 C[Si](C)(C)CCNCC(O)c1ccc(cc1)Br 34a_100020626992_200000733723 [0,2,0,0,0,0|1,1,0]=4 8630 B17R1.1072 C[Si](C)(C)CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000733723 [0,2,0,0,0,0|1,1,0]=4 8631 B17R1.1072 C[Si](C)(C)CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000733723 [0,2,0,0,0,0|1,1,0]=4 8632 B17R1.1072 C[Si](C)(C)CCNCC(O)c1ccc(cc1)O 34a_100000067596_200000733723 [0,2,0,0,0,0|0,1,0]=3 8633 B17R1.1072 Cc1ccc(cc1)C(O)CNCCC(C)(C)C 2230a_200020610344_100000755188 [0,2,0,0,0,0|1,0,0]=3 8634 B17R1.1072 Cc1ccc(cc1)C(O)CNCCC(C)(C)C 34a_200020610344_100000755188 [0,2,0,0,0,0|1,0,0]=3 8635 B17R1.1072 Cc1ccc(cc1)C(O)CNCCC(C)(C)O 2230a_200020610344_100000702414 [0,2,0,0,0,0|1,0,0]=3 8636 B17R1.1072 Cc1ccc(cc1)C(O)CNCCC(C)(C)O 34a_200020610344_100000702414 [0,2,0,0,0,0|1,0,0]=3 8637 B17R1.1072 Cc1ccc(cc1)C(O)CNCCC(F)(F)F 34a_200020610344_100011219754 [0,2,0,0,0,0|2,0,0]=4 8638 B17R1.1072 Cc1ccc(cc1)C(O)CNCCS(=O)(=O)C 2230a_200020610344_100000731031 [0,2,0,0,0,0|2,0,0]=4 8639 B17R1.1072 Cc1ccc(cc1)C(O)CNCCS(=O)(=O)C 34a_200020610344_100000731031 [0,2,0,0,0,0|2,0,0]=4 8640 B17R1.1072 Cc1ccc(cc1)C(O)CNCC[N+](C)(C)C 34a_200020610344_100000085578 [0,2,0,0,0,0|2,0,0]=4 8641 B17R1.1072 Cc1ccc(cc1)C(O)CNCC[Si](C)(C)C 2230a_200020610344_200000733723 [0,2,0,0,0,0|1,1,0]=4 8642 B17R1.1072 Cc1ccc(cc1)C(O)CNCC[Si](C)(C)C 34a_200020610344_200000733723 [0,2,0,0,0,0|1,1,0]=4 8643 B17R1.1072 O=S(=O)([O-])CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000762736 [0,2,0,0,0,0|2,0,0]=4 8644 B17R1.1072 OC(CNCCC(F)(F)F)c1ccc(cc1)Br 34a_100020626992_100011219754 [0,2,0,0,0,0|2,0,0]=4 8645 B17R1.1072 OC(CNCCC(F)(F)F)c1ccc(cc1)Cl 2230a_100000740434_200011996143 [0,2,0,0,0,0|2,0,0]=4 8646 B17R1.1072 OC(CNCCC(F)(F)F)c1ccc(cc1)Cl 34a_100000736658_100011219754 [0,2,0,0,0,0|2,0,0]=4 8647 B17R1.1072 OC(CNCCC(F)(F)F)c1ccc(cc1)Cl 34a_100000740434_200011996143 [0,2,0,0,0,0|2,0,0]=4 8648 B17R1.1072 O[C@@H](CNCCC(F)(F)F)c1ccc(cc1)F 2230a_100000740434_100000720402 [0,2,0,0,0,0|2,0,0]=4 8649 B17R1.1072 O[C@@H](CNCCC(F)(F)F)c1ccc(cc1)F 34a_100000740434_100000720402 [0,2,0,0,0,0|2,0,0]=4 8650 B17R1.1072 Oc1ccc(cc1)C(O)CNCCC(F)(F)F 34a_100000067596_100011219754 [0,2,0,0,0,0|1,0,0]=3 8651 B17R1.1146 C=C(C)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000730704 [0,2,0,0,0,0|0,0,1]=3 8652 B17R1.1146 CC(=CCNCC(O)c1ccc(c(c1)O)O)C 34a_100000106456_100000761012 [0,2,0,0,0,0|0,0,2]=4 8653 B17R1.1146 CC(=O)OCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009813279 [0,2,0,0,0,0|1,0,1]=4 8654 B17R1.1146 CC(Br)CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100009893172_100000761251 [0,2,0,0,0,0|2,0,0]=4 8655 B17R1.1146 CC(C)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210312 [0,2,0,0,0,0|0,0,0]=2 8656 B17R1.1146 CC(C)CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210254_100000761251 [0,2,0,0,0,0|2,0,0]=4 8657 B17R1.1146 CC(C)CCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210254_100000761251 [0,2,0,0,0,0|2,0,0]=4 8658 B17R1.1146 CC(C)CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210312_100000761251 [0,2,0,0,0,0|2,0,0]=4 8659 B17R1.1146 CC(C)CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210312 [0,2,0,0,0,0|2,0,0]=4 8660 B17R1.1146 CC(C)OCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000709892 [0,2,0,0,0,0|1,0,0]=3 8661 B17R1.1146 CC(O)CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_200000755665_100000761251 [0,2,0,0,0,0|1,0,0]=3 8662 B17R1.1146 CC(O)CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100012276601 [0,2,0,0,0,0|2,0,0]=4 8663 B17R1.1146 CC(O)CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100012276601_100000761251 [0,2,0,0,0,0|2,0,0]=4 8664 B17R1.1146 C[C@@H](N)CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000706166_100000761251 [0,2,0,0,0,0|2,0,0]=4 8665 B17R1.14628 CC(Br)CCOC[C@@H](O)c1ccc(cc1F)F 34a_100009893172_100000761269 [0,2,0,0,0,0|2,0,0]=4 8666 B17R1.14628 CC(Br)CCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100009893172_100000761231 [0,2,0,0,0,0|2,0,0]=4 8667 B17R1.14628 CC(C)CCOC[C@@H](O)c1ccc(cc1F)F 34a_100000210254_100000761269 [0,2,0,0,0,0|2,0,0]=4 8668 B17R1.14628 CC(C)CCOC[C@@H](O)c1ccc(cc1F)F 7a_100000210254_100000761269 [0,2,0,0,0,0|2,0,0]=4 8669 B17R1.14628 CC(C)CCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000210254_100000761231 [0,2,0,0,0,0|2,0,0]=4 8670 B17R1.14628 CC(C)CCOC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000210254_100000761231 [0,2,0,0,0,0|2,0,0]=4 8671 B17R1.14628 CC(C)CCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210312_100000761269 [0,2,0,0,0,0|2,0,0]=4 8672 B17R1.14628 CC(C)CCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210312 [0,2,0,0,0,0|2,0,0]=4 8673 B17R1.14628 CC(C)CCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210312_100000761231 [0,2,0,0,0,0|2,0,0]=4 8674 B17R1.14628 CC(C)CCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210312 [0,2,0,0,0,0|2,0,0]=4 8675 B17R1.14628 CC(O)CCNC[C@@H](O)c1ccc(cc1F)F 2230a_200000755665_100000761269 [0,2,0,0,0,0|1,0,0]=3 8676 B17R1.14628 CC(O)CCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_200000755665_100000761231 [0,2,0,0,0,0|1,0,0]=3 8677 B17R1.14628 CC(O)CCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100012276601 [0,2,0,0,0,0|2,0,0]=4 8678 B17R1.14628 CC(O)CCSC[C@@H](O)c1ccc(cc1F)F 62a_100012276601_100000761269 [0,2,0,0,0,0|2,0,0]=4 8679 B17R1.14628 CC(O)CCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100012276601 [0,2,0,0,0,0|2,0,0]=4 8680 B17R1.14628 CC(O)CCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100012276601_100000761231 [0,2,0,0,0,0|2,0,0]=4 8681 B17R1.14628 C[C@@H](N)CCOC[C@@H](O)c1ccc(cc1F)F 34a_100000706166_100000761269 [0,2,0,0,0,0|2,0,0]=4 8682 B17R1.14628 C[C@@H](N)CCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000706166_100000761231 [0,2,0,0,0,0|2,0,0]=4 8683 B17R1.210 C=CC(O)CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000730141 [0,2,0,0,0,0|0,0,2]=4 8684 B17R1.210 C=CC(O)CNCC(O)c1ccc(cc1)OC 34a_100000738651_100000730141 [0,2,0,0,0,0|0,0,2]=4 8685 B17R1.210 CCC(C)CNCC(=O)c1ccc(cc1)OC 2230a_100020588543_100000212054 [0,2,0,0,0,0|0,0,2]=4 8686 B17R1.210 CCC(C)CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000748023 [0,2,0,0,0,0|0,0,0]=2 8687 B17R1.210 CCC(C)CNCC(O)c1ccc(cc1)OC 270004a_100000738651_100000243153 [0,2,0,0,0,0|0,0,0]=2 8688 B17R1.210 CCC(C)CNCC(O)c1ccc(cc1)OC 34a_100000738651_100000748023 [0,2,0,0,0,0|0,0,0]=2 8689 B17R1.210 CCC(C)COCC(N)c1ccc(cc1)OC 34a_100000751956_100000748023 [0,2,0,0,0,0|2,0,0]=4 8690 B17R1.210 CCC(O)CNCC(=O)c1ccc(cc1)OC 2230a_100011218483_100000212054 [0,2,0,0,0,0|0,0,2]=4 8691 B17R1.210 CCC(O)CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100011218378 [0,2,0,0,0,0|0,0,0]=2 8692 B17R1.210 CCC(O)CNCC(O)c1ccc(cc1)OC 34a_100000738651_100011218378 [0,2,0,0,0,0|0,0,0]=2 8693 B17R1.210 CCC(O)COCC(N)c1ccc(cc1)OC 34a_100000751956_100011218378 [0,2,0,0,0,0|2,0,0]=4 8694 B17R1.210 CC[C@H](C)CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100009816398 [0,2,0,0,0,0|0,0,0]=2 8695 B17R1.210 CC[C@H](C)CNCC(O)c1ccc(cc1)OC 34a_100000738651_100009816398 [0,2,0,0,0,0|0,0,0]=2 8696 B17R1.210 CC[C@H](C)COCC(N)c1ccc(cc1)OC 34a_100000751956_100009816398 [0,2,0,0,0,0|2,0,0]=4 8697 B17R1.210 CNC(=O)CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000183359 [0,2,0,0,0,0|1,0,1]=4 8698 B17R1.210 CNC(=O)CNCC(O)c1ccc(cc1)OC 34a_100000738651_100000183359 [0,2,0,0,0,0|1,0,1]=4 8699 B17R1.210 COC(=O)CNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000747449 [0,2,0,0,0,0|1,0,1]=4 8700 B17R1.210 COC(=O)CNCC(O)c1ccc(cc1)OC 34a_100000738651_100000747449 [0,2,0,0,0,0|1,0,1]=4 8701 B17R1.210 COc1ccc(cc1)C(O)CNCC(O)CO 2230a_100000738651_100011219619 [0,2,0,0,0,0|1,0,0]=3 8702 B17R1.210 COc1ccc(cc1)C(O)CNCC(O)CO 34a_100000738651_100011219619 [0,2,0,0,0,0|1,0,0]=3 8703 B17R1.210 COc1ccc(cc1)C(O)CNC[C@@H](C)CO 2230a_100000738651_100000059175 [0,2,0,0,0,0|1,0,0]=3 8704 B17R1.210 COc1ccc(cc1)C(O)CNC[C@@H](C)CO 34a_100000738651_100000059175 [0,2,0,0,0,0|1,0,0]=3 8705 B17R1.210 COc1ccc(cc1)C(O)CNC[C@@H](O)CF 2230a_100000738651_100015614560 [0,2,0,0,0,0|1,0,0]=3 8706 B17R1.210 COc1ccc(cc1)C(O)CNC[C@@H](O)CF 34a_100000738651_100015614560 [0,2,0,0,0,0|1,0,0]=3 8707 B17R1.210 COc1ccc(cc1)C(O)CNC[C@@H](O)CO 2230a_100000738651_100009815848 [0,2,0,0,0,0|1,0,0]=3 8708 B17R1.210 COc1ccc(cc1)C(O)CNC[C@@H](O)CO 34a_100000738651_100009815848 [0,2,0,0,0,0|1,0,0]=3 8709 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100009813988 [0,2,0,0,0,0|2,0,0]=4 8710 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)Cl 2230a_100020635058_200011996143 [0,2,0,0,0,0|2,0,0]=4 8711 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009813988 [0,2,0,0,0,0|2,0,0]=4 8712 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009813988 [0,2,0,0,0,0|1,0,0]=3 8713 B17R1.404 CC(C)(CO)CNC[C@H](O)c1ccc(cc1)F 2230a_100020635058_100000720402 [0,2,0,0,0,0|2,0,0]=4 8714 B17R1.404 CC(CNCC(C)(C)CO)c1ccc(cc1)O 34a_200015188644_100009813988 [0,2,0,0,0,0|2,0,0]=4 8715 B17R1.404 CCC(C)(C)COCC(O)c1ccc(cc1)Cl 7a_100000765029_200011996143 [0,2,0,0,0,0|2,0,0]=4 8716 B17R1.404 CCC(C)(C)COC[C@H](O)c1ccc(cc1)F 7a_100000765029_100000720402 [0,2,0,0,0,0|2,0,0]=4 8717 B17R1.404 COC(C)(C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000701081 [0,2,0,0,0,0|2,0,0]=4 8718 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000701081 [0,2,0,0,0,0|2,0,0]=4 8719 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000701081 [0,2,0,0,0,0|2,0,0]=4 8720 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000763424_200011996143 [0,2,0,0,0,0|2,0,0]=4 8721 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000701081 [0,2,0,0,0,0|2,0,0]=4 8722 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000701081 [0,2,0,0,0,0|1,0,0]=3 8723 B17R1.404 COC(C)(C)CNC[C@H](O)c1ccc(cc1)F 2230a_100000763424_100000720402 [0,2,0,0,0,0|2,0,0]=4 8724 B17R1.404 CSC(C)(C)CNCC(C)c1ccc(cc1)O 270004a_200015188644_100009845794 [0,2,0,0,0,0|2,0,0]=4 8725 B17R1.404 CSC(C)(C)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100009845794 [0,2,0,0,0,0|2,0,0]=4 8726 B17R1.404 CSC(C)(C)CNCC(O)c1ccc(cc1)C 270004a_200020610344_100009845794 [0,2,0,0,0,0|2,0,0]=4 8727 B17R1.404 CSC(C)(C)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100009845794 [0,2,0,0,0,0|2,0,0]=4 8728 B17R1.404 Cc1ccc(cc1)C(O)CNCC(C)(C)CO 34a_200020610344_100009813988 [0,2,0,0,0,0|2,0,0]=4 8729 B17R1.626 CCC(CC)CNCC(C)c1ccc(cc1)O 269862a_200015188644_100000211137 [0,2,0,0,0,0|1,0,0]=3 8730 B17R1.626 CCC(CC)CNCC(C)c1ccc(cc1)O 270004a_200015188644_100000211137 [0,2,0,0,0,0|1,0,0]=3 8731 B17R1.626 CCC(CC)CNCC(C)c1ccc(cc1)O 34a_200015188644_100011215472 [0,2,0,0,0,0|1,0,0]=3 8732 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215472 [0,2,0,0,0,0|1,0,0]=3 8733 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Br 269862a_100020626992_100000211137 [0,2,0,0,0,0|1,0,0]=3 8734 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100000211137 [0,2,0,0,0,0|1,0,0]=3 8735 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011215472 [0,2,0,0,0,0|1,0,0]=3 8736 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)C 2230a_200020610344_100011215472 [0,2,0,0,0,0|1,0,0]=3 8737 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)C 269862a_200020610344_100000211137 [0,2,0,0,0,0|1,0,0]=3 8738 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)C 270004a_200020610344_100000211137 [0,2,0,0,0,0|1,0,0]=3 8739 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)C 34a_200020610344_100011215472 [0,2,0,0,0,0|1,0,0]=3 8740 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215472 [0,2,0,0,0,0|1,0,0]=3 8741 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Cl 2230a_100102946423_200011996143 [0,2,0,0,0,0|1,0,0]=3 8742 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Cl 269862a_100000736658_100000211137 [0,2,0,0,0,0|1,0,0]=3 8743 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000211137 [0,2,0,0,0,0|1,0,0]=3 8744 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215472 [0,2,0,0,0,0|1,0,0]=3 8745 B17R1.626 CCC(CC)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011215472 [0,2,0,0,0,0|0,0,0]=2 8746 B17R1.626 CCC(CC)CNC[C@H](O)c1ccc(cc1)F 2230a_100102946423_100000720402 [0,2,0,0,0,0|1,0,0]=3 8747 B17R1.626 CCC(CC)COCC(O)c1ccc(cc1)Cl 7a_100000703878_200011996143 [0,2,0,0,0,0|2,0,0]=4 8748 B17R1.626 CCC(CC)COC[C@H](O)c1ccc(cc1)F 7a_100000703878_100000720402 [0,2,0,0,0,0|2,0,0]=4 8749 B17R1.626 CCC(CC)CSCC(O)c1ccc(cc1)Cl 62a_100011215472_200011996143 [0,2,0,0,0,0|2,0,0]=4 8750 B17R1.626 CCC(CC)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215472 [0,2,0,0,0,0|2,0,0]=4 8751 B17R1.626 CCC(CC)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215472 [0,2,0,0,0,0|2,0,0]=4 8752 B17R1.626 CCC(CC)CSC[C@H](O)c1ccc(cc1)F 62a_100011215472_100000720402 [0,2,0,0,0,0|2,0,0]=4 8753 B17R1.626 CCC(COCC(O)c1ccc(cc1)Cl)OC 34a_100011934954_200011996143 [0,2,0,0,0,0|2,0,0]=4 8754 B17R1.626 CCC(COCC(O)c1ccc(cc1)Cl)OC 7a_100011934954_200011996143 [0,2,0,0,0,0|2,0,0]=4 8755 B17R1.626 CCC(COC[C@H](O)c1ccc(cc1)F)OC 34a_100011934954_100000720402 [0,2,0,0,0,0|2,0,0]=4 8756 B17R1.626 CCC(COC[C@H](O)c1ccc(cc1)F)OC 7a_100011934954_100000720402 [0,2,0,0,0,0|2,0,0]=4 8757 B17R1.626 COC(CNCC(C)c1ccc(cc1)O)OC 270004a_200015188644_100000752162 [0,2,0,0,0,0|2,0,0]=4 8758 B17R1.626 COC(CNCC(C)c1ccc(cc1)O)OC 34a_200015188644_100000211822 [0,2,0,0,0,0|2,0,0]=4 8759 B17R1.626 COC(CNCC(O)c1ccc(cc1)Br)OC 2230a_100020626992_100000751394 [0,2,0,0,0,0|2,0,0]=4 8760 B17R1.626 COC(CNCC(O)c1ccc(cc1)Br)OC 270004a_100020626992_100000752162 [0,2,0,0,0,0|2,0,0]=4 8761 B17R1.626 COC(CNCC(O)c1ccc(cc1)Br)OC 34a_100020626992_100000211822 [0,2,0,0,0,0|2,0,0]=4 8762 B17R1.626 COC(CNCC(O)c1ccc(cc1)C)OC 2230a_200020610344_100000751394 [0,2,0,0,0,0|2,0,0]=4 8763 B17R1.626 COC(CNCC(O)c1ccc(cc1)C)OC 270004a_200020610344_100000752162 [0,2,0,0,0,0|2,0,0]=4 8764 B17R1.626 COC(CNCC(O)c1ccc(cc1)C)OC 34a_200020610344_100000211822 [0,2,0,0,0,0|2,0,0]=4 8765 B17R1.626 COC(CNCC(O)c1ccc(cc1)Cl)OC 2230a_100000736658_100000751394 [0,2,0,0,0,0|2,0,0]=4 8766 B17R1.626 COC(CNCC(O)c1ccc(cc1)Cl)OC 270004a_100000736658_100000752162 [0,2,0,0,0,0|2,0,0]=4 8767 B17R1.626 COC(CNCC(O)c1ccc(cc1)Cl)OC 34a_100000736658_100000211822 [0,2,0,0,0,0|2,0,0]=4 8768 B17R1.626 COC(CNCC(O)c1ccc(cc1)O)OC 34a_100000067596_100000211822 [0,2,0,0,0,0|1,0,0]=3 8769 B17R1.24361 CC(CO)CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000744482_100000761251 [0,2,0,0,0,0|2,0,0]=4 8770 B17R1.24361 CCC(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000748023 [0,2,0,0,0,0|0,0,0]=2 8771 B17R1.24361 CCC(C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020588543_100000761251 [0,2,0,0,0,0|1,0,0]=3 8772 B17R1.24361 CCC(C)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000748023_100000761251 [0,2,0,0,0,0|2,0,0]=4 8773 B17R1.24361 CCC(C)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000748023 [0,2,0,0,0,0|2,0,0]=4 8774 B17R1.24361 CCC(O)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100011218483_100000761251 [0,2,0,0,0,0|1,0,0]=3 8775 B17R1.24361 CCC(O)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100011218378 [0,2,0,0,0,0|2,0,0]=4 8776 B17R1.24361 CCC(O)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100011218378_100000761251 [0,2,0,0,0,0|2,0,0]=4 8777 B17R1.24361 CC[C@H](C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009816398 [0,2,0,0,0,0|0,0,0]=2 8778 B17R1.24361 CC[C@H](C)COC[C@@H](O)c1ccc(c(c1)F)F 7a_100009816381_100000761251 [0,2,0,0,0,0|2,0,0]=4 8779 B17R1.24361 CC[C@H](C)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100009816398 [0,2,0,0,0,0|2,0,0]=4 8780 B17R1.24361 CC[C@H](C)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100009816398_100000761251 [0,2,0,0,0,0|2,0,0]=4 8781 B17R1.24361 COC(=O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000747449 [0,2,0,0,0,0|1,0,1]=4 8782 B17R1.24361 CO[C@H](C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020591295_100000761251 [0,2,0,0,0,0|2,0,0]=4 8783 B17R1.24361 OC[C@@H](O)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020644852_100000761251 [0,2,0,0,0,0|2,0,0]=4 8784 B17R1.24361 OC[C@H](F)CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100015665980_100000761251 [0,2,0,0,0,0|2,0,0]=4 8785 B17R1.139047 CC(CO)CNC[C@@H](O)c1ccc(cc1F)F 34a_100000744482_100000761269 [0,2,0,0,0,0|2,0,0]=4 8786 B17R1.139047 CC(CO)CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000744482_100000761231 [0,2,0,0,0,0|2,0,0]=4 8787 B17R1.139047 CCC(C)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100020588543_100000761269 [0,2,0,0,0,0|1,0,0]=3 8788 B17R1.139047 CCC(C)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100020588543_100000761231 [0,2,0,0,0,0|1,0,0]=3 8789 B17R1.139047 CCC(C)CSC[C@@H](O)c1ccc(cc1F)F 62a_100000748023_100000761269 [0,2,0,0,0,0|2,0,0]=4 8790 B17R1.139047 CCC(C)CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000748023 [0,2,0,0,0,0|2,0,0]=4 8791 B17R1.139047 CCC(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000748023_100000761231 [0,2,0,0,0,0|2,0,0]=4 8792 B17R1.139047 CCC(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000748023 [0,2,0,0,0,0|2,0,0]=4 8793 B17R1.139047 CCC(O)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100011218483_100000761269 [0,2,0,0,0,0|1,0,0]=3 8794 B17R1.139047 CCC(O)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100011218483_100000761231 [0,2,0,0,0,0|1,0,0]=3 8795 B17R1.139047 CCC(O)CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100011218378 [0,2,0,0,0,0|2,0,0]=4 8796 B17R1.139047 CCC(O)CSC[C@@H](O)c1ccc(cc1F)F 62a_100011218378_100000761269 [0,2,0,0,0,0|2,0,0]=4 8797 B17R1.139047 CCC(O)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100011218378 [0,2,0,0,0,0|2,0,0]=4 8798 B17R1.139047 CCC(O)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100011218378_100000761231 [0,2,0,0,0,0|2,0,0]=4 8799 B17R1.139047 CC[C@H](C)COC[C@@H](O)c1ccc(cc1F)F 7a_100009816381_100000761269 [0,2,0,0,0,0|2,0,0]=4 8800 B17R1.139047 CC[C@H](C)COC[C@H](O)c1ccc(cc1Cl)Cl 7a_100009816381_100000761231 [0,2,0,0,0,0|2,0,0]=4 8801 B17R1.139047 CC[C@H](C)CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100009816398 [0,2,0,0,0,0|2,0,0]=4 8802 B17R1.139047 CC[C@H](C)CSC[C@@H](O)c1ccc(cc1F)F 62a_100009816398_100000761269 [0,2,0,0,0,0|2,0,0]=4 8803 B17R1.139047 CC[C@H](C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100009816398 [0,2,0,0,0,0|2,0,0]=4 8804 B17R1.139047 CC[C@H](C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100009816398_100000761231 [0,2,0,0,0,0|2,0,0]=4 8805 B17R1.139047 CO[C@H](C)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100020591295_100000761269 [0,2,0,0,0,0|2,0,0]=4 8806 B17R1.139047 CO[C@H](C)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100020591295_100000761231 [0,2,0,0,0,0|2,0,0]=4 8807 B17R1.139047 OC[C@@H](O)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100020644852_100000761269 [0,2,0,0,0,0|2,0,0]=4 8808 B17R1.139047 OC[C@@H](O)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100020644852_100000761231 [0,2,0,0,0,0|2,0,0]=4 8809 B17R1.139047 OC[C@H](F)CNC[C@@H](O)c1ccc(cc1F)F 34a_100015665980_100000761269 [0,2,0,0,0,0|2,0,0]=4 8810 B17R1.139047 OC[C@H](F)CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100015665980_100000761231 [0,2,0,0,0,0|2,0,0]=4 8811 B17R1.5087 CCCCNCC(=O)c1ccc(cc1)OCC 2230a_100000102301_100000203716 [0,2,0,0,0,0|0,0,2]=4 8812 B17R1.5087 CCCCNCC(=O)c1ccc(cc1)OCC 7a_106832991798_100000203716 [0,2,0,0,0,0|0,0,2]=4 8813 B17R1.5088 CCCCNCC(=O)c1ccc(cc1)B(O)O 2230a_100000102301_100011107738 [0,2,0,0,0,0|0,0,2]=4 8814 B17R1.5088 CCCCNCC(=O)c1ccc(cc1)B(O)O 7a_106832991798_100011107738 [0,2,0,0,0,0|0,0,2]=4 8815 B17R1.5111 CCCCNCC(=O)c1ccc(c(c1)Br)OC 2230a_100000102301_100000185116 [0,2,0,0,0,0|0,0,2]=4 8816 B17R1.5111 CCCCNCC(=O)c1ccc(c(c1)Br)OC 7a_106832991798_100000185116 [0,2,0,0,0,0|0,0,2]=4 8817 B17R1.5111 CCCCNCC(=O)c1ccc(c(c1)Cl)OC 2230a_100000102301_100000198526 [0,2,0,0,0,0|0,0,2]=4 8818 B17R1.5111 CCCCNCC(=O)c1ccc(c(c1)Cl)OC 7a_106832991798_100000198526 [0,2,0,0,0,0|0,0,2]=4 8819 B17R1.5111 CCCCNCC(=O)c1ccc(c(c1)F)OC 2230a_100000102301_100000195436 [0,2,0,0,0,0|0,0,2]=4 8820 B17R1.5111 CCCCNCC(=O)c1ccc(c(c1)F)OC 7a_106832991798_100000195436 [0,2,0,0,0,0|0,0,2]=4 8821 B17R1.40329 CCCCNCC(=O)c1ccc(cc1F)OC 2230a_100000102301_100011316493 [0,2,0,0,0,0|0,0,2]=4 8822 B17R1.40329 CCCCNCC(=O)c1ccc(cc1F)OC 7a_106832991798_100011316493 [0,2,0,0,0,0|0,0,2]=4 8823 B17R1.5109 CCCCNCC(=O)c1ccc(c(c1)CO)O 7a_106832991798_100010262812 [0,2,0,0,0,0|0,0,2]=4 8824 B17R1.5109 CCCCNCC(=O)c1ccc(c(c1)OC)O 7a_106832991798_100010206313 [0,2,0,0,0,0|0,0,2]=4 8825 B15R2.29 Oc1ccc(cc1)CN2CCCCC2 271570a_203496583355_100015186551 [1,0,0,1,0,0|2,0,0]=4 8826 B15R2.29 Oc1ccc(cc1)NC2CCCCC2 34a_100000185829_100000210327 [1,0,0,1,0,0|2,0,0]=4 8827 B15R2.29 Oc1ccc(cc1)OC2CCCCC2 271570a_203496583355_200011235866 [1,0,0,1,0,0|2,0,0]=4 8828 B15R2.29 Oc1ccc(cc1)OC2CCCCO2 271570a_203496583355_100009813393 [1,0,0,1,0,0|2,0,0]=4 8829 B15R2.29 Oc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000185759 [1,0,0,1,0,0|2,0,0]=4 8830 B15R2.100 Brc1ccc(cc1)CCN2CCCC2 2230a_100000188435_100011740612 [1,0,0,1,0,0|1,0,0]=3 8831 B15R2.100 Brc1ccc(cc1)CCN2CCCC2 269982a_100000188435_100011740612 [1,0,0,1,0,0|1,0,0]=3 8832 B15R2.100 Brc1ccc(cc1)CCN2CCSC2 2230a_100011215254_100011740612 [1,0,0,1,0,0|2,0,0]=4 8833 B15R2.100 Brc1ccc(cc1)CCN2CCSC2 269982a_100011215254_100011740612 [1,0,0,1,0,0|2,0,0]=4 8834 B15R2.100 Cc1ccc(cc1)CCN2CCCC2 2230a_100000188435_100011713686 [1,0,0,1,0,0|1,0,0]=3 8835 B15R2.100 Cc1ccc(cc1)CCN2CCCC2 269982a_100000188435_100011713686 [1,0,0,1,0,0|1,0,0]=3 8836 B15R2.100 Cc1ccc(cc1)CCN2CCSC2 2230a_100011215254_100011713686 [1,0,0,1,0,0|2,0,0]=4 8837 B15R2.100 Cc1ccc(cc1)CCN2CCSC2 269982a_100011215254_100011713686 [1,0,0,1,0,0|2,0,0]=4 8838 B15R2.100 Clc1ccc(cc1)CCN2CCCC2 2230a_100000188435_100011713675 [1,0,0,1,0,0|1,0,0]=3 8839 B15R2.100 Clc1ccc(cc1)CCN2CCCC2 269982a_100000188435_100011713675 [1,0,0,1,0,0|1,0,0]=3 8840 B15R2.100 Clc1ccc(cc1)CCN2CCSC2 2230a_100011215254_100011713675 [1,0,0,1,0,0|2,0,0]=4 8841 B15R2.100 Clc1ccc(cc1)CCN2CCSC2 269982a_100011215254_100011713675 [1,0,0,1,0,0|2,0,0]=4 8842 B15R2.100 Fc1ccc(cc1)CCN2CCCC2 2230a_100000188435_100011217392 [1,0,0,1,0,0|1,0,0]=3 8843 B15R2.100 Fc1ccc(cc1)CCN2CCCC2 269982a_100000188435_100011217392 [1,0,0,1,0,0|1,0,0]=3 8844 B15R2.100 Fc1ccc(cc1)CCN2CCSC2 2230a_100011215254_100011217392 [1,0,0,1,0,0|2,0,0]=4 8845 B15R2.100 Fc1ccc(cc1)CCN2CCSC2 269982a_100011215254_100011217392 [1,0,0,1,0,0|2,0,0]=4 8846 B15R2.100 Oc1ccc(cc1)/N=N/N2CCCC2 271570a_203496583355_100011010919 [1,0,0,1,0,0|2,0,0]=4 8847 B15R2.100 Oc1ccc(cc1)CCN2CC=CC2 269982a_100015195280_100009816426 [1,0,0,1,0,0|0,0,2]=4 8848 B15R2.100 Oc1ccc(cc1)CCN2CCCC2 2230a_100000188435_100009816426 [1,0,0,1,0,0|0,0,0]=2 8849 B15R2.100 Oc1ccc(cc1)CCN2CCCC2 269982a_100000188435_100009816426 [1,0,0,1,0,0|0,0,0]=2 8850 B15R2.100 Oc1ccc(cc1)CCN2CCSC2 2230a_100011215254_100009816426 [1,0,0,1,0,0|1,0,0]=3 8851 B15R2.100 Oc1ccc(cc1)CCN2CCSC2 269982a_100011215254_100009816426 [1,0,0,1,0,0|1,0,0]=3 8852 B15R2.100 Oc1ccc(cc1)CNC2CCCC2 34a_100000185549_100000179811 [1,0,0,1,0,0|2,0,0]=4 8853 B15R2.100 Oc1ccc(cc1)NCC2CCCC2 34a_100000185829_100000740388 [1,0,0,1,0,0|2,0,0]=4 8854 B15R2.100 Oc1ccc(cc1)SCC2CCCC2 62a_100000740388_100000185759 [1,0,0,1,0,0|2,0,0]=4 8855 B15R2.1548 Cc1ccc(cc1)CCN[C@@H]2C[C@@H]2F 2230a_100015190264_100011713686 [1,0,0,1,0,0|2,0,0]=4 8856 B15R2.1548 Cc1ccc(cc1)CCN[C@@H]2C[C@H]2F 2230a_100025746932_100011713686 [1,0,0,1,0,0|2,0,0]=4 8857 B15R2.1548 Cc1ccc(cc1)CCN[C@@H]2C[C@H]2F 34a_100025746932_100011713686 [1,0,0,1,0,0|2,0,0]=4 8858 B15R2.1548 F[C@@H]1C[C@H]1NCCc2ccc(cc2)Br 2230a_100025746932_100011740612 [1,0,0,1,0,0|2,0,0]=4 8859 B15R2.1548 F[C@@H]1C[C@H]1NCCc2ccc(cc2)Br 34a_100025746932_100011740612 [1,0,0,1,0,0|2,0,0]=4 8860 B15R2.1548 F[C@@H]1C[C@H]1NCCc2ccc(cc2)Cl 2230a_100025746932_100011713675 [1,0,0,1,0,0|2,0,0]=4 8861 B15R2.1548 F[C@@H]1C[C@H]1NCCc2ccc(cc2)Cl 34a_100025746932_100011713675 [1,0,0,1,0,0|2,0,0]=4 8862 B15R2.1548 F[C@H]1C[C@H]1NCCc2ccc(cc2)Br 2230a_100015190264_100011740612 [1,0,0,1,0,0|2,0,0]=4 8863 B15R2.1548 F[C@H]1C[C@H]1NCCc2ccc(cc2)Cl 2230a_100015190264_100011713675 [1,0,0,1,0,0|2,0,0]=4 8864 B15R2.1548 Fc1ccc(cc1)CCN[C@@H]2C[C@@H]2F 2230a_100015190264_100011217392 [1,0,0,1,0,0|2,0,0]=4 8865 B15R2.1548 Fc1ccc(cc1)CCN[C@@H]2C[C@H]2F 2230a_100025746932_100011217392 [1,0,0,1,0,0|2,0,0]=4 8866 B15R2.1548 Fc1ccc(cc1)CCN[C@@H]2C[C@H]2F 34a_100025746932_100011217392 [1,0,0,1,0,0|2,0,0]=4 8867 B15R2.1548 Oc1ccc(cc1)CCN[C@@H]2C[C@@H]2F 2230a_100015190264_100009816426 [1,0,0,1,0,0|1,0,0]=3 8868 B15R2.1548 Oc1ccc(cc1)CCN[C@@H]2C[C@H]2F 2230a_100025746932_100009816426 [1,0,0,1,0,0|1,0,0]=3 8869 B15R2.1552 CC1CCN1CCc2ccc(cc2)Br 269982a_100000755817_100011740612 [1,0,0,1,0,0|1,0,0]=3 8870 B15R2.1552 CC1CCN1CCc2ccc(cc2)Br 34a_100000755817_100011740612 [1,0,0,1,0,0|1,0,0]=3 8871 B15R2.1552 CC1CCN1CCc2ccc(cc2)Cl 269982a_100000755817_100011713675 [1,0,0,1,0,0|1,0,0]=3 8872 B15R2.1552 CC1CCN1CCc2ccc(cc2)Cl 34a_100000755817_100011713675 [1,0,0,1,0,0|1,0,0]=3 8873 B15R2.1552 CC1CCN1CCc2ccc(cc2)F 269982a_100000755817_100011217392 [1,0,0,1,0,0|1,0,0]=3 8874 B15R2.1552 CC1CCN1CCc2ccc(cc2)F 34a_100000755817_100011217392 [1,0,0,1,0,0|1,0,0]=3 8875 B15R2.1552 CC1CCN1CCc2ccc(cc2)O 269982a_100000755817_100009816426 [1,0,0,1,0,0|0,0,0]=2 8876 B15R2.1552 Cc1ccc(cc1)CCN2CCC2C 269982a_100000755817_100011713686 [1,0,0,1,0,0|1,0,0]=3 8877 B15R2.1552 Cc1ccc(cc1)CCN2CCC2C 34a_100000755817_100011713686 [1,0,0,1,0,0|1,0,0]=3 8878 B15R2.18926 Brc1ccc(cc1)CCNCC2CC2 2230a_100000735609_100011740612 [1,0,0,1,0,0|1,0,0]=3 8879 B15R2.18926 Brc1ccc(cc1)CCNCC2CC2 2230a_100000755846_100000742324 [1,0,0,1,0,0|1,0,0]=3 8880 B15R2.18926 Brc1ccc(cc1)CCNCC2CC2 269862a_100000755846_100000741477 [1,0,0,1,0,0|1,0,0]=3 8881 B15R2.18926 Brc1ccc(cc1)CCNCC2CC2 34a_100000735609_100011740612 [1,0,0,1,0,0|1,0,0]=3 8882 B15R2.18926 Brc1ccc(cc1)CCNCC2CC2 34a_100000755846_100000742324 [1,0,0,1,0,0|1,0,0]=3 8883 B15R2.18926 Brc1ccc(cc1)CCNCC2CO2 2230a_100000755846_100011216344 [1,0,0,1,0,0|2,0,0]=4 8884 B15R2.18926 Brc1ccc(cc1)CCNCC2CO2 34a_100000755846_102125554688 [1,0,0,1,0,0|2,0,0]=4 8885 B15R2.18926 Brc1ccc(cc1)CCOCC2CC2 34a_100000211283_100011740612 [1,0,0,1,0,0|2,0,0]=4 8886 B15R2.18926 Brc1ccc(cc1)CCOCC2CC2 34a_100000766406_100000742324 [1,0,0,1,0,0|2,0,0]=4 8887 B15R2.18926 Brc1ccc(cc1)CCOCC2CC2 7a_100000766406_100000742324 [1,0,0,1,0,0|2,0,0]=4 8888 B15R2.18926 Brc1ccc(cc1)CCSCC2CC2 62a_100000756562_100011740612 [1,0,0,1,0,0|2,0,0]=4 8889 B15R2.18926 Brc1ccc(cc1)CCSCC2CC2 62a_100011740612_100000742324 [1,0,0,1,0,0|2,0,0]=4 8890 B15R2.18926 Cc1ccc(cc1)CCNCC2CC2 2230a_100000705350_100000742324 [1,0,0,1,0,0|1,0,0]=3 8891 B15R2.18926 Cc1ccc(cc1)CCNCC2CC2 2230a_100000735609_100011713686 [1,0,0,1,0,0|1,0,0]=3 8892 B15R2.18926 Cc1ccc(cc1)CCNCC2CC2 269862a_100000705350_100000741477 [1,0,0,1,0,0|1,0,0]=3 8893 B15R2.18926 Cc1ccc(cc1)CCNCC2CC2 34a_100000705350_100000742324 [1,0,0,1,0,0|1,0,0]=3 8894 B15R2.18926 Cc1ccc(cc1)CCNCC2CC2 34a_100000735609_100011713686 [1,0,0,1,0,0|1,0,0]=3 8895 B15R2.18926 Cc1ccc(cc1)CCNCC2CO2 2230a_100000705350_100011216344 [1,0,0,1,0,0|2,0,0]=4 8896 B15R2.18926 Cc1ccc(cc1)CCNCC2CO2 34a_100000705350_102125554688 [1,0,0,1,0,0|2,0,0]=4 8897 B15R2.18926 Cc1ccc(cc1)CCOCC2CC2 34a_100000211283_100011713686 [1,0,0,1,0,0|2,0,0]=4 8898 B15R2.18926 Cc1ccc(cc1)CCOCC2CC2 34a_100000756670_100000742324 [1,0,0,1,0,0|2,0,0]=4 8899 B15R2.18926 Cc1ccc(cc1)CCOCC2CC2 7a_100000756670_100000742324 [1,0,0,1,0,0|2,0,0]=4 8900 B15R2.18926 Cc1ccc(cc1)CCSCC2CC2 62a_100000756562_100011713686 [1,0,0,1,0,0|2,0,0]=4 8901 B15R2.18926 Cc1ccc(cc1)CCSCC2CC2 62a_100011713686_100000742324 [1,0,0,1,0,0|2,0,0]=4 8902 B15R2.18926 Clc1ccc(cc1)CCNCC2CC2 2230a_100000185265_100000742324 [1,0,0,1,0,0|1,0,0]=3 8903 B15R2.18926 Clc1ccc(cc1)CCNCC2CC2 2230a_100000735609_100011713675 [1,0,0,1,0,0|1,0,0]=3 8904 B15R2.18926 Clc1ccc(cc1)CCNCC2CC2 269862a_100000185265_100000741477 [1,0,0,1,0,0|1,0,0]=3 8905 B15R2.18926 Clc1ccc(cc1)CCNCC2CC2 34a_100000185265_100000742324 [1,0,0,1,0,0|1,0,0]=3 8906 B15R2.18926 Clc1ccc(cc1)CCNCC2CC2 34a_100000735609_100011713675 [1,0,0,1,0,0|1,0,0]=3 8907 B15R2.18926 Clc1ccc(cc1)CCNCC2CO2 2230a_100000185265_100011216344 [1,0,0,1,0,0|2,0,0]=4 8908 B15R2.18926 Clc1ccc(cc1)CCNCC2CO2 34a_100000185265_102125554688 [1,0,0,1,0,0|2,0,0]=4 8909 B15R2.18926 Clc1ccc(cc1)CCOCC2CC2 34a_100000211283_100011713675 [1,0,0,1,0,0|2,0,0]=4 8910 B15R2.18926 Clc1ccc(cc1)CCOCC2CC2 34a_100011219627_100000742324 [1,0,0,1,0,0|2,0,0]=4 8911 B15R2.18926 Clc1ccc(cc1)CCOCC2CC2 7a_100011219627_100000742324 [1,0,0,1,0,0|2,0,0]=4 8912 B15R2.18926 Clc1ccc(cc1)CCSCC2CC2 62a_100000756562_100011713675 [1,0,0,1,0,0|2,0,0]=4 8913 B15R2.18926 Clc1ccc(cc1)CCSCC2CC2 62a_100011713675_100000742324 [1,0,0,1,0,0|2,0,0]=4 8914 B15R2.18926 Fc1ccc(cc1)CCNCC2CC2 2230a_100000199005_100000742324 [1,0,0,1,0,0|1,0,0]=3 8915 B15R2.18926 Fc1ccc(cc1)CCNCC2CC2 2230a_100000735609_100011217392 [1,0,0,1,0,0|1,0,0]=3 8916 B15R2.18926 Fc1ccc(cc1)CCNCC2CC2 269862a_100000199005_100000741477 [1,0,0,1,0,0|1,0,0]=3 8917 B15R2.18926 Fc1ccc(cc1)CCNCC2CC2 34a_100000199005_100000742324 [1,0,0,1,0,0|1,0,0]=3 8918 B15R2.18926 Fc1ccc(cc1)CCNCC2CC2 34a_100000735609_100011217392 [1,0,0,1,0,0|1,0,0]=3 8919 B15R2.18926 Fc1ccc(cc1)CCNCC2CO2 2230a_100000199005_100011216344 [1,0,0,1,0,0|2,0,0]=4 8920 B15R2.18926 Fc1ccc(cc1)CCNCC2CO2 34a_100000199005_102125554688 [1,0,0,1,0,0|2,0,0]=4 8921 B15R2.18926 Fc1ccc(cc1)CCOCC2CC2 34a_100000211283_100011217392 [1,0,0,1,0,0|2,0,0]=4 8922 B15R2.18926 Fc1ccc(cc1)CCOCC2CC2 34a_100000754732_100000742324 [1,0,0,1,0,0|2,0,0]=4 8923 B15R2.18926 Fc1ccc(cc1)CCOCC2CC2 7a_100000754732_100000742324 [1,0,0,1,0,0|2,0,0]=4 8924 B15R2.18926 Fc1ccc(cc1)CCSCC2CC2 62a_100000756562_100011217392 [1,0,0,1,0,0|2,0,0]=4 8925 B15R2.18926 Fc1ccc(cc1)CCSCC2CC2 62a_100011217392_100000742324 [1,0,0,1,0,0|2,0,0]=4 8926 B15R2.18926 Ic1ccc(cc1)CCOCC2CC2 34a_100012291149_100000742324 [1,0,0,1,0,0|2,0,0]=4 8927 B15R2.18926 Ic1ccc(cc1)CCOCC2CC2 7a_100012291149_100000742324 [1,0,0,1,0,0|2,0,0]=4 8928 B15R2.18926 Nc1ccc(cc1)CCOCC2CC2 34a_100011204434_100000742324 [1,0,0,1,0,0|2,0,0]=4 8929 B15R2.18926 Oc1ccc(cc1)C=NNCC2CC2 4a_100000736359_100000185832 [1,0,0,1,0,0|1,0,1]=4 8930 B15R2.18926 Oc1ccc(cc1)CCNCC2CC2 2230a_100000735609_100009816426 [1,0,0,1,0,0|0,0,0]=2 8931 B15R2.18926 Oc1ccc(cc1)CCNCC2CC2 269862a_100000743037_100000741477 [1,0,0,1,0,0|0,0,0]=2 8932 B15R2.18926 Oc1ccc(cc1)CCNCC2CC2 34a_100000743037_100000742324 [1,0,0,1,0,0|0,0,0]=2 8933 B15R2.18926 Oc1ccc(cc1)CCNCC2CO2 34a_100000743037_102125554688 [1,0,0,1,0,0|1,0,0]=3 8934 B15R2.18926 Oc1ccc(cc1)CCSCC2CC2 62a_100000756562_100009816426 [1,0,0,1,0,0|1,0,0]=3 8935 B15R2.18926 Oc1ccc(cc1)CCSCC2CC2 62a_100009816426_100000742324 [1,0,0,1,0,0|1,0,0]=3 8936 B15R2.18926 Oc1ccc(cc1)CCSCC2CO2 62a_100009816426_102125554688 [1,0,0,1,0,0|2,0,0]=4 8937 B15R2.18926 Oc1ccc(cc1)CCSCC2CO2 62a_102125554688_100009816426 [1,0,0,1,0,0|2,0,0]=4 8938 B15R2.18926 Oc1ccc(cc1)CCSCC2CS2 62a_100000031435_100009816426 [1,0,0,1,0,0|2,0,0]=4 8939 B15R2.18926 Oc1ccc(cc1)CCSCC2CS2 62a_100009816426_100000031435 [1,0,0,1,0,0|2,0,0]=4 8940 B15R2.18926 Oc1ccc(cc1)CCSC[C@@H]2CO2 62a_100000745022_100009816426 [1,0,0,1,0,0|2,0,0]=4 8941 B15R2.18926 Oc1ccc(cc1)CCSC[C@@H]2CO2 62a_100009816426_100000745022 [1,0,0,1,0,0|2,0,0]=4 8942 B15R2.18926 Oc1ccc(cc1)CNCCC2CC2 34a_100000185549_100000694398 [1,0,0,1,0,0|2,0,0]=4 8943 B15R2.19027 Brc1ccc(cc1)CCNC2CCC2 2230a_100000749019_100011740612 [1,0,0,1,0,0|1,0,0]=3 8944 B15R2.19027 Brc1ccc(cc1)CCNC2CCC2 270004a_100000755846_100000241760 [1,0,0,1,0,0|1,0,0]=3 8945 B15R2.19027 Brc1ccc(cc1)CCNC2CCC2 34a_100000749019_100011740612 [1,0,0,1,0,0|1,0,0]=3 8946 B15R2.19027 Brc1ccc(cc1)CCNC2CCC2 34a_100000755846_100000749161 [1,0,0,1,0,0|1,0,0]=3 8947 B15R2.19027 Brc1ccc(cc1)CCNC2COC2 2230a_100016991112_100011740612 [1,0,0,1,0,0|2,0,0]=4 8948 B15R2.19027 Brc1ccc(cc1)CCNC2COC2 34a_100000755846_100009818527 [1,0,0,1,0,0|2,0,0]=4 8949 B15R2.19027 Brc1ccc(cc1)CCOC2CCC2 34a_100000748187_100011740612 [1,0,0,1,0,0|2,0,0]=4 8950 B15R2.19027 Brc1ccc(cc1)CCOC2CCC2 34a_100000766406_100000749161 [1,0,0,1,0,0|2,0,0]=4 8951 B15R2.19027 Brc1ccc(cc1)CCSC2CCC2 62a_100011740612_100000749161 [1,0,0,1,0,0|2,0,0]=4 8952 B15R2.19027 Cc1ccc(cc1)CCNC2CCC2 2230a_100000749019_100011713686 [1,0,0,1,0,0|1,0,0]=3 8953 B15R2.19027 Cc1ccc(cc1)CCNC2CCC2 270004a_100000705350_100000241760 [1,0,0,1,0,0|1,0,0]=3 8954 B15R2.19027 Cc1ccc(cc1)CCNC2CCC2 34a_100000705350_100000749161 [1,0,0,1,0,0|1,0,0]=3 8955 B15R2.19027 Cc1ccc(cc1)CCNC2CCC2 34a_100000749019_100011713686 [1,0,0,1,0,0|1,0,0]=3 8956 B15R2.19027 Cc1ccc(cc1)CCNC2COC2 2230a_100016991112_100011713686 [1,0,0,1,0,0|2,0,0]=4 8957 B15R2.19027 Cc1ccc(cc1)CCNC2COC2 34a_100000705350_100009818527 [1,0,0,1,0,0|2,0,0]=4 8958 B15R2.19027 Cc1ccc(cc1)CCOC2CCC2 34a_100000748187_100011713686 [1,0,0,1,0,0|2,0,0]=4 8959 B15R2.19027 Cc1ccc(cc1)CCOC2CCC2 34a_100000756670_100000749161 [1,0,0,1,0,0|2,0,0]=4 8960 B15R2.19027 Cc1ccc(cc1)CCSC2CCC2 62a_100011713686_100000749161 [1,0,0,1,0,0|2,0,0]=4 8961 B15R2.19027 Clc1ccc(cc1)CCNC2CCC2 2230a_100000749019_100011713675 [1,0,0,1,0,0|1,0,0]=3 8962 B15R2.19027 Clc1ccc(cc1)CCNC2CCC2 270004a_100000185265_100000241760 [1,0,0,1,0,0|1,0,0]=3 8963 B15R2.19027 Clc1ccc(cc1)CCNC2CCC2 34a_100000185265_100000749161 [1,0,0,1,0,0|1,0,0]=3 8964 B15R2.19027 Clc1ccc(cc1)CCNC2CCC2 34a_100000749019_100011713675 [1,0,0,1,0,0|1,0,0]=3 8965 B15R2.19027 Clc1ccc(cc1)CCNC2COC2 2230a_100016991112_100011713675 [1,0,0,1,0,0|2,0,0]=4 8966 B15R2.19027 Clc1ccc(cc1)CCNC2COC2 34a_100000185265_100009818527 [1,0,0,1,0,0|2,0,0]=4 8967 B15R2.19027 Clc1ccc(cc1)CCOC2CCC2 34a_100000748187_100011713675 [1,0,0,1,0,0|2,0,0]=4 8968 B15R2.19027 Clc1ccc(cc1)CCOC2CCC2 34a_100011219627_100000749161 [1,0,0,1,0,0|2,0,0]=4 8969 B15R2.19027 Clc1ccc(cc1)CCSC2CCC2 62a_100011713675_100000749161 [1,0,0,1,0,0|2,0,0]=4 8970 B15R2.19027 Fc1ccc(cc1)CCNC2CCC2 2230a_100000749019_100011217392 [1,0,0,1,0,0|1,0,0]=3 8971 B15R2.19027 Fc1ccc(cc1)CCNC2CCC2 270004a_100000199005_100000241760 [1,0,0,1,0,0|1,0,0]=3 8972 B15R2.19027 Fc1ccc(cc1)CCNC2CCC2 34a_100000199005_100000749161 [1,0,0,1,0,0|1,0,0]=3 8973 B15R2.19027 Fc1ccc(cc1)CCNC2CCC2 34a_100000749019_100011217392 [1,0,0,1,0,0|1,0,0]=3 8974 B15R2.19027 Fc1ccc(cc1)CCNC2COC2 2230a_100016991112_100011217392 [1,0,0,1,0,0|2,0,0]=4 8975 B15R2.19027 Fc1ccc(cc1)CCNC2COC2 34a_100000199005_100009818527 [1,0,0,1,0,0|2,0,0]=4 8976 B15R2.19027 Fc1ccc(cc1)CCOC2CCC2 34a_100000748187_100011217392 [1,0,0,1,0,0|2,0,0]=4 8977 B15R2.19027 Fc1ccc(cc1)CCOC2CCC2 34a_100000754732_100000749161 [1,0,0,1,0,0|2,0,0]=4 8978 B15R2.19027 Fc1ccc(cc1)CCSC2CCC2 62a_100011217392_100000749161 [1,0,0,1,0,0|2,0,0]=4 8979 B15R2.19027 Ic1ccc(cc1)CCOC2CCC2 34a_100012291149_100000749161 [1,0,0,1,0,0|2,0,0]=4 8980 B15R2.19027 Nc1ccc(cc1)CCOC2CCC2 34a_100011204434_100000749161 [1,0,0,1,0,0|2,0,0]=4 8981 B15R2.19027 Oc1ccc(cc1)C=NNC2CCC2 4a_100000736358_100000185832 [1,0,0,1,0,0|1,0,1]=4 8982 B15R2.19027 Oc1ccc(cc1)CCNC2CCC2 2230a_100000749019_100009816426 [1,0,0,1,0,0|0,0,0]=2 8983 B15R2.19027 Oc1ccc(cc1)CCNC2CCC2 270004a_100000743037_100000241760 [1,0,0,1,0,0|0,0,0]=2 8984 B15R2.19027 Oc1ccc(cc1)CCNC2CCC2 34a_100000743037_100000749161 [1,0,0,1,0,0|0,0,0]=2 8985 B15R2.19027 Oc1ccc(cc1)CCNC2COC2 2230a_100016991112_100009816426 [1,0,0,1,0,0|1,0,0]=3 8986 B15R2.19027 Oc1ccc(cc1)CCNC2COC2 34a_100000743037_100009818527 [1,0,0,1,0,0|1,0,0]=3 8987 B15R2.19027 Oc1ccc(cc1)CCOC2CSC2 7a_100000072292_100009816426 [1,0,0,1,0,0|2,0,0]=4 8988 B15R2.19027 Oc1ccc(cc1)CCSC2CCC2 62a_100009816426_100000749161 [1,0,0,1,0,0|1,0,0]=3 8989 B15R2.19027 Oc1ccc(cc1)CCSC2COC2 62a_100009816426_100009818527 [1,0,0,1,0,0|2,0,0]=4 8990 B15R2.19027 Oc1ccc(cc1)CNCC2CCC2 34a_100000185549_100000763275 [1,0,0,1,0,0|2,0,0]=4 8991 B15R2.91 CC(c1ccc(cc1)Br)N2CCCC2 2230a_100000188435_100000755118 [1,0,0,1,0,0|2,0,0]=4 8992 B15R2.91 CC(c1ccc(cc1)Br)N2CCCC2 269982a_100000188435_100000755118 [1,0,0,1,0,0|2,0,0]=4 8993 B15R2.91 CC(c1ccc(cc1)Cl)N2CCCC2 2230a_100000188435_100000684792 [1,0,0,1,0,0|2,0,0]=4 8994 B15R2.91 CC(c1ccc(cc1)Cl)N2CCCC2 269982a_100000188435_100000684792 [1,0,0,1,0,0|2,0,0]=4 8995 B15R2.91 CC(c1ccc(cc1)F)N2CCCC2 2230a_100000188435_100000743420 [1,0,0,1,0,0|2,0,0]=4 8996 B15R2.91 CC(c1ccc(cc1)F)N2CCCC2 269982a_100000188435_100000743420 [1,0,0,1,0,0|2,0,0]=4 8997 B15R2.91 CC(c1ccc(cc1)O)N2CCCC2 271570a_203496583355_100015195789 [1,0,0,1,0,0|1,0,0]=3 8998 B15R2.91 CN(c1ccc(cc1)O)C2CCCC2 269982a_100000182112_100000179811 [1,0,0,1,0,0|2,0,0]=4 8999 B15R2.91 CN(c1ccc(cc1)O)C2CCCC2 34a_100000182112_100000179811 [1,0,0,1,0,0|2,0,0]=4 9000 B15R2.91 Cc1ccc(cc1)C(C)N2CCCC2 2230a_100000188435_100011261388 [1,0,0,1,0,0|2,0,0]=4 9001 B15R2.91 Cc1ccc(cc1)C(C)N2CCCC2 269982a_100000188435_100011261388 [1,0,0,1,0,0|2,0,0]=4 9002 B15R2.91 O=C(c1ccc(cc1)O)C2CCCC2 1458a_100000212099_100000179811 [1,0,0,1,0,0|0,0,2]=4 9003 B15R2.91 O=C(c1ccc(cc1)O)N2CCCC2 240690a_100000188435_100000212099 [1,0,0,1,0,0|0,0,2]=4 9004 B15R2.91 O=C(c1ccc(cc1)O)N2CCCC2 271570a_203496583355_100000153374 [1,0,0,1,0,0|0,0,2]=4 9005 B15R2.91 O=C(c1ccc(cc1)O)N2CCCC2 527a_100000188435_100000212099 [1,0,0,1,0,0|0,0,2]=4 9006 B15R2.1519 CC1CCN1C(=O)c2ccc(cc2)O 240690a_100000755817_100000212099 [1,0,0,1,0,0|0,0,2]=4 9007 B15R2.1519 CC1CCN1C(=O)c2ccc(cc2)O 527a_100000755817_100000212099 [1,0,0,1,0,0|0,0,2]=4 9008 B15R2.1519 CC1CCN1C(C)c2ccc(cc2)Br 269982a_100000755817_100000755118 [1,0,0,1,0,0|2,0,0]=4 9009 B15R2.1519 CC1CCN1C(C)c2ccc(cc2)Br 34a_100000755817_100000755118 [1,0,0,1,0,0|2,0,0]=4 9010 B15R2.1519 CC1CCN1C(C)c2ccc(cc2)Cl 269982a_100000755817_100000684792 [1,0,0,1,0,0|2,0,0]=4 9011 B15R2.1519 CC1CCN1C(C)c2ccc(cc2)F 269982a_100000755817_100000743420 [1,0,0,1,0,0|2,0,0]=4 9012 B15R2.1519 CC1CCN1C(C)c2ccc(cc2)F 34a_100000755817_100000743420 [1,0,0,1,0,0|2,0,0]=4 9013 B15R2.1519 Cc1ccc(cc1)C(C)N2CCC2C 269982a_100000755817_100011261388 [1,0,0,1,0,0|2,0,0]=4 9014 B15R2.1519 Cc1ccc(cc1)C(C)N2CCC2C 34a_100000755817_100011261388 [1,0,0,1,0,0|2,0,0]=4 9015 B15R2.6983 CC(CNC1CC1)c2ccc(cc2)O 34a_200015188644_100000211595 [1,0,0,1,0,0|1,0,0]=3 9016 B15R2.6983 CC(NCC1CC1)c2ccc(cc2)Br 2230a_100000735609_100000755118 [1,0,0,1,0,0|2,0,0]=4 9017 B15R2.6983 CC(NCC1CC1)c2ccc(cc2)Br 34a_100000735609_100000755118 [1,0,0,1,0,0|2,0,0]=4 9018 B15R2.6983 CC(NCC1CC1)c2ccc(cc2)Cl 2230a_100000735609_100000684792 [1,0,0,1,0,0|2,0,0]=4 9019 B15R2.6983 CC(NCC1CC1)c2ccc(cc2)F 2230a_100000735609_100000743420 [1,0,0,1,0,0|2,0,0]=4 9020 B15R2.6983 CC(NCC1CC1)c2ccc(cc2)F 34a_100000735609_100000743420 [1,0,0,1,0,0|2,0,0]=4 9021 B15R2.6983 CN(CCC1CC1)c2ccc(cc2)O 269982a_100000182112_100000694398 [1,0,0,1,0,0|2,0,0]=4 9022 B15R2.6983 CN(CCC1CC1)c2ccc(cc2)O 34a_100000182112_100000694398 [1,0,0,1,0,0|2,0,0]=4 9023 B15R2.6983 C[C@@H](NCC1CC1)c2ccc(cc2)Br 2230a_100000720352_100000742324 [1,0,0,1,0,0|2,0,0]=4 9024 B15R2.6983 C[C@@H](NCC1CC1)c2ccc(cc2)Br 269862a_100000720352_100000741477 [1,0,0,1,0,0|2,0,0]=4 9025 B15R2.6983 C[C@@H](NCC1CC1)c2ccc(cc2)Cl 2230a_100015205461_100000742324 [1,0,0,1,0,0|2,0,0]=4 9026 B15R2.6983 C[C@@H](NCC1CC1)c2ccc(cc2)Cl 269862a_100015205461_100000741477 [1,0,0,1,0,0|2,0,0]=4 9027 B15R2.6983 C[C@@H](NCC1CC1)c2ccc(cc2)Cl 34a_100015205461_100000742324 [1,0,0,1,0,0|2,0,0]=4 9028 B15R2.6983 C[C@H](NCC1CC1)c2ccc(cc2)F 2230a_100025705893_100000742324 [1,0,0,1,0,0|2,0,0]=4 9029 B15R2.6983 C[C@H](NCC1CC1)c2ccc(cc2)F 269862a_100025705893_100000741477 [1,0,0,1,0,0|2,0,0]=4 9030 B15R2.6983 C[C@H](NCC1CC1)c2ccc(cc2)F 34a_100025705893_100000742324 [1,0,0,1,0,0|2,0,0]=4 9031 B15R2.6983 C[C@H](NCC1CC1)c2ccc(cc2)I 2230a_100000753911_100000742324 [1,0,0,1,0,0|2,0,0]=4 9032 B15R2.6983 C[C@H](NCC1CC1)c2ccc(cc2)I 269862a_100000753911_100000741477 [1,0,0,1,0,0|2,0,0]=4 9033 B15R2.6983 C[C@H](NCC1CC1)c2ccc(cc2)O 2230a_100161106496_100000742324 [1,0,0,1,0,0|1,0,0]=3 9034 B15R2.6983 C[C@H](NCC1CO1)c2ccc(cc2)O 2230a_100161106496_100011216344 [1,0,0,1,0,0|2,0,0]=4 9035 B15R2.6983 Cc1ccc(cc1)C(C)NCC2CC2 2230a_100000735609_100011261388 [1,0,0,1,0,0|2,0,0]=4 9036 B15R2.6983 Cc1ccc(cc1)C(C)NCC2CC2 34a_100000735609_100011261388 [1,0,0,1,0,0|2,0,0]=4 9037 B15R2.6983 Cc1ccc(cc1)C(O)CNC2CC2 34a_200020610344_100000211595 [1,0,0,1,0,0|1,0,0]=3 9038 B15R2.6983 Cc1ccc(cc1)[C@@H](C)NCC2CC2 2230a_100016988085_100000742324 [1,0,0,1,0,0|2,0,0]=4 9039 B15R2.6983 Cc1ccc(cc1)[C@@H](C)NCC2CC2 269862a_100016988085_100000741477 [1,0,0,1,0,0|2,0,0]=4 9040 B15R2.6983 Cc1ccc(cc1)[C@@H](C)NCC2CC2 34a_100016988085_100000742324 [1,0,0,1,0,0|2,0,0]=4 9041 B15R2.6983 O=C(CCC1CC1)c2ccc(cc2)O 1458a_100000212099_100000694398 [1,0,0,1,0,0|0,0,2]=4 9042 B15R2.6983 O=C(CNC1CC1)c2ccc(cc2)O 34a_100000212008_100009814261 [1,0,0,1,0,0|0,0,2]=4 9043 B15R2.6983 O=C(NCC1CC1)c2ccc(cc2)O 240690a_100000735609_100000212099 [1,0,0,1,0,0|0,0,2]=4 9044 B15R2.6983 O=C(NCC1CC1)c2ccc(cc2)O 527a_100000735609_100000212099 [1,0,0,1,0,0|0,0,2]=4 9045 B15R2.6983 OC(CNC1CC1)c2ccc(cc2)Br 34a_100020626992_100000211595 [1,0,0,1,0,0|1,0,0]=3 9046 B15R2.6983 OC(CNC1CC1)c2ccc(cc2)Cl 34a_100000212008_200011996143 [1,0,0,1,0,0|1,0,0]=3 9047 B15R2.6983 OC(CNC1CC1)c2ccc(cc2)Cl 34a_100000736658_100000211595 [1,0,0,1,0,0|1,0,0]=3 9048 B15R2.6983 OC(CSC1CC1)c2ccc(cc2)Cl 62a_200011996143_100000211595 [1,0,0,1,0,0|2,0,0]=4 9049 B15R2.6983 O[C@@H](CNC1CC1)c2ccc(cc2)F 34a_100000212008_100000720402 [1,0,0,1,0,0|1,0,0]=3 9050 B15R2.6983 O[C@@H](CSC1CC1)c2ccc(cc2)F 62a_100000720402_100000211595 [1,0,0,1,0,0|2,0,0]=4 9051 B15R2.6983 Oc1ccc(cc1)C(O)CNC2CC2 34a_100000067596_100000211595 [1,0,0,1,0,0|0,0,0]=2 9052 B15R2.18914 Oc1ccc(cc1)C2(CCCCC2)O 271570a_203496583355_200010132841 [1,0,0,1,0,0|0,0,0]=2 9053 B15R2.18914 Oc1ccc(cc1)C2(CCNCC2)O 271570a_203496583355_100121572065 [1,0,0,1,0,0|1,0,0]=3 9054 B15R2.18914 Oc1ccc(cc1)C2(CCOCC2)O 271570a_203496583355_100010245627 [1,0,0,1,0,0|1,0,0]=3 9055 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)Br 2230a_100000749019_100000755118 [1,0,0,1,0,0|2,0,0]=4 9056 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)Br 269862a_100000749019_100000185794 [1,0,0,1,0,0|2,0,0]=4 9057 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)Br 34a_100000749019_100000755118 [1,0,0,1,0,0|2,0,0]=4 9058 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)Cl 2230a_100000749019_100000684792 [1,0,0,1,0,0|2,0,0]=4 9059 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)Cl 269862a_100000749019_100000185797 [1,0,0,1,0,0|2,0,0]=4 9060 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)F 2230a_100000749019_100000743420 [1,0,0,1,0,0|2,0,0]=4 9061 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)F 269862a_100000749019_100000185800 [1,0,0,1,0,0|2,0,0]=4 9062 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)F 34a_100000749019_100000743420 [1,0,0,1,0,0|2,0,0]=4 9063 B15R2.18979 CC(NC1CCC1)c2ccc(cc2)I 269862a_100000749019_100000185465 [1,0,0,1,0,0|2,0,0]=4 9064 B15R2.18979 CN(CC1CCC1)c2ccc(cc2)O 269982a_100000182112_100000763275 [1,0,0,1,0,0|2,0,0]=4 9065 B15R2.18979 CN(CC1CCC1)c2ccc(cc2)O 34a_100000182112_100000763275 [1,0,0,1,0,0|2,0,0]=4 9066 B15R2.18979 C[C@@H](NC1CCC1)c2ccc(cc2)Br 270004a_100000720352_100000241760 [1,0,0,1,0,0|2,0,0]=4 9067 B15R2.18979 C[C@@H](NC1CCC1)c2ccc(cc2)Cl 270004a_100015205461_100000241760 [1,0,0,1,0,0|2,0,0]=4 9068 B15R2.18979 C[C@@H](NC1CCC1)c2ccc(cc2)Cl 34a_100015205461_100000749161 [1,0,0,1,0,0|2,0,0]=4 9069 B15R2.18979 C[C@H](NC1CCC1)c2ccc(cc2)F 270004a_100025705893_100000241760 [1,0,0,1,0,0|2,0,0]=4 9070 B15R2.18979 C[C@H](NC1CCC1)c2ccc(cc2)F 34a_100025705893_100000749161 [1,0,0,1,0,0|2,0,0]=4 9071 B15R2.18979 C[C@H](NC1CCC1)c2ccc(cc2)I 270004a_100000753911_100000241760 [1,0,0,1,0,0|2,0,0]=4 9072 B15R2.18979 C[C@H](NC1CCC1)c2ccc(cc2)O 270004a_100161106496_100000241760 [1,0,0,1,0,0|1,0,0]=3 9073 B15R2.18979 Cc1ccc(cc1)C(C)NC2CCC2 2230a_100000749019_100011261388 [1,0,0,1,0,0|2,0,0]=4 9074 B15R2.18979 Cc1ccc(cc1)C(C)NC2CCC2 269862a_100000749019_100000185793 [1,0,0,1,0,0|2,0,0]=4 9075 B15R2.18979 Cc1ccc(cc1)C(C)NC2CCC2 34a_100000749019_100011261388 [1,0,0,1,0,0|2,0,0]=4 9076 B15R2.18979 Cc1ccc(cc1)[C@@H](C)NC2CCC2 270004a_100016988085_100000241760 [1,0,0,1,0,0|2,0,0]=4 9077 B15R2.18979 Cc1ccc(cc1)[C@@H](C)NC2CCC2 34a_100016988085_100000749161 [1,0,0,1,0,0|2,0,0]=4 9078 B15R2.18979 O=C(CC1CCC1)c2ccc(cc2)O 1458a_100000212099_100000763275 [1,0,0,1,0,0|0,0,2]=4 9079 B15R2.18979 O=C(CN1CCC1)c2ccc(cc2)O 269982a_100000754969_100009814261 [1,0,0,1,0,0|0,0,2]=4 9080 B15R2.18979 O=C(NC1CCC1)c2ccc(cc2)O 240690a_100000749019_100000212099 [1,0,0,1,0,0|0,0,2]=4 9081 B15R2.18979 O=C(NC1CCC1)c2ccc(cc2)O 527a_100000749019_100000212099 [1,0,0,1,0,0|0,0,2]=4 9082 B15R2.86 CCCCN1CC(C1)c2cccnc2 269982a_100015183634_100000210211 [1,0,0,1,0,0|2,0,0]=4 9083 B15R2.86 CCCCN1CC(C1)c2ccncc2 269982a_100015185986_100000210211 [1,0,0,1,0,0|2,0,0]=4 9084 B15R2.1040 CC(CN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000756946 [1,0,0,1,0,0|2,0,0]=4 9085 B15R2.1040 CC(CN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000756946 [1,0,0,1,0,0|2,0,0]=4 9086 B15R2.1040 CC(CN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000756946 [1,0,0,1,0,0|2,0,0]=4 9087 B15R2.1040 OC(CN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000185958 [1,0,0,1,0,0|1,0,0]=3 9088 B15R2.1040 OC(CN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000185958 [1,0,0,1,0,0|1,0,0]=3 9089 B15R2.1040 OC(CN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000185958 [1,0,0,1,0,0|1,0,0]=3 9090 B15R2.1040 O[C@H](CN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100011933945 [1,0,0,1,0,0|1,0,0]=3 9091 B15R2.1040 O[C@H](CN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100011933945 [1,0,0,1,0,0|1,0,0]=3 9092 B15R2.1040 O[C@H](CN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100011933945 [1,0,0,1,0,0|1,0,0]=3 9093 B15R2.1130 CC(CN1CCC1C)c2ccccc2 269982a_100000755817_100000756946 [1,0,0,1,0,0|1,0,0]=3 9094 B15R2.1130 CC(CN1CCC1C)c2ccccc2 34a_100000755817_100000756946 [1,0,0,1,0,0|1,0,0]=3 9095 B15R2.1130 CC1CCN1CC(=O)c2ccccc2 269982a_100000755817_100000211460 [1,0,0,1,0,0|0,0,2]=4 9096 B15R2.1130 CC1CCN1CC(O)c2ccccc2 34a_100000755817_100000185958 [1,0,0,1,0,0|0,0,0]=2 9097 B15R2.1130 CC1CCN1CS(=O)c2ccccc2 269982a_100000755817_100000031784 [1,0,0,1,0,0|1,0,1]=4 9098 B15R2.1130 CC1CCN1C[C@@H](O)c2ccccc2 34a_100000755817_100011933945 [1,0,0,1,0,0|0,0,0]=2 9099 B15R2.1259 CC(CN1CCCC1)c2ccccc2 2230a_100000188435_100000756946 [1,0,0,1,0,0|1,0,0]=3 9100 B15R2.1259 CC(CN1CCCC1)c2ccccc2 269982a_100000188435_100000756946 [1,0,0,1,0,0|1,0,0]=3 9101 B15R2.1259 CC(CN1CCCC1)c2ccccc2 270004a_100000188435_100000212034 [1,0,0,1,0,0|1,0,0]=3 9102 B15R2.1259 CC(CN1CCSC1)c2ccccc2 2230a_100011215254_100000756946 [1,0,0,1,0,0|2,0,0]=4 9103 B15R2.1259 CC(CN1CCSC1)c2ccccc2 269982a_100011215254_100000756946 [1,0,0,1,0,0|2,0,0]=4 9104 B15R2.1259 CC(CN1CCSC1)c2ccccc2 270004a_100011215254_100000212034 [1,0,0,1,0,0|2,0,0]=4 9105 B15R2.1259 O=C(CN1CCCC1)c2ccccc2 269982a_100000188435_100000211460 [1,0,0,1,0,0|0,0,2]=4 9106 B15R2.1259 O=S(CN1CCCC1)c2ccccc2 269982a_100000188435_100000031784 [1,0,0,1,0,0|1,0,1]=4 9107 B15R2.1259 OC(CN1CCCC1)c2ccccc2 2230a_100000188435_100000185958 [1,0,0,1,0,0|0,0,0]=2 9108 B15R2.1259 OC(CN1CCSC1)c2ccccc2 2230a_100011215254_100000185958 [1,0,0,1,0,0|1,0,0]=3 9109 B15R2.1259 O[C@H](CN1CCCC1)c2ccccc2 2230a_100000188435_100011933945 [1,0,0,1,0,0|0,0,0]=2 9110 B15R2.1259 O[C@H](CN1CCSC1)c2ccccc2 2230a_100011215254_100011933945 [1,0,0,1,0,0|1,0,0]=3 9111 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210211 [1,0,0,1,0,0|1,0,0]=3 9112 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210210 [1,0,0,1,0,0|1,0,0]=3 9113 B15R2.1262 CCCOCC1OC1c2ccccc2 34a_100000032844_100000210303 [1,0,0,1,0,0|2,0,0]=4 9114 B15R2.1262 CCCOCC1OC1c2ccccc2 7a_100000032844_100000210303 [1,0,0,1,0,0|2,0,0]=4 9115 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011201679 [1,0,0,1,0,0|2,0,0]=4 9116 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011201679 [1,0,0,1,0,0|2,0,0]=4 9117 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000751147 [1,0,0,1,0,0|2,0,0]=4 9118 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000212216 [1,0,0,1,0,0|2,0,0]=4 9119 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011934791 [1,0,0,1,0,0|2,0,0]=4 9120 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011934791 [1,0,0,1,0,0|2,0,0]=4 9121 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000230001 [1,0,0,1,0,0|2,0,0]=4 9122 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000230001 [1,0,0,1,0,0|2,0,0]=4 9123 B15R2.16439 CC(CNC1CCC1)c2ccccc2 2230a_100000749019_100000756946 [1,0,0,1,0,0|1,0,0]=3 9124 B15R2.16439 CC(CNC1CCC1)c2ccccc2 270004a_100000701038_100000241760 [1,0,0,1,0,0|1,0,0]=3 9125 B15R2.16439 CC(CNC1CCC1)c2ccccc2 34a_100000701038_100000749161 [1,0,0,1,0,0|1,0,0]=3 9126 B15R2.16439 CC(CNC1CCC1)c2ccccc2 34a_100000749019_100000756946 [1,0,0,1,0,0|1,0,0]=3 9127 B15R2.16439 CC(CNC1COC1)c2ccccc2 2230a_100016991112_100000756946 [1,0,0,1,0,0|2,0,0]=4 9128 B15R2.16439 CC(CNC1COC1)c2ccccc2 270004a_100016991112_100000212034 [1,0,0,1,0,0|2,0,0]=4 9129 B15R2.16439 CC(CNC1COC1)c2ccccc2 34a_100000701038_100009818527 [1,0,0,1,0,0|2,0,0]=4 9130 B15R2.16439 CC(CNC1CSC1)c2ccccc2 270004a_100016994217_100000212034 [1,0,0,1,0,0|2,0,0]=4 9131 B15R2.16439 CC(COC1CCC1)c2ccccc2 34a_100000748187_100000756946 [1,0,0,1,0,0|2,0,0]=4 9132 B15R2.16439 CC(COC1CCC1)c2ccccc2 34a_100011215166_100000749161 [1,0,0,1,0,0|2,0,0]=4 9133 B15R2.16439 CC(CSC1CCC1)c2ccccc2 62a_100000756946_100000749161 [1,0,0,1,0,0|2,0,0]=4 9134 B15R2.16439 N[C@H](COC1CCC1)c2ccccc2 34a_100000751927_100000749161 [1,0,0,1,0,0|2,0,0]=4 9135 B15R2.16439 OC(CNC1CCC1)c2ccccc2 2230a_100000749019_100000185958 [1,0,0,1,0,0|0,0,0]=2 9136 B15R2.16439 OC(CNC1CCC1)c2ccccc2 270004a_100000210709_100000241760 [1,0,0,1,0,0|0,0,0]=2 9137 B15R2.16439 OC(CNC1CCC1)c2ccccc2 34a_100000749019_100000185958 [1,0,0,1,0,0|0,0,0]=2 9138 B15R2.16439 OC(CNC1CCC1)c2ccccn2 270004a_100000691469_100000241760 [1,0,0,1,0,0|1,0,0]=3 9139 B15R2.16439 OC(CNC1CCC1)c2cccnc2 270004a_100020605170_100000241760 [1,0,0,1,0,0|1,0,0]=3 9140 B15R2.16439 OC(CNC1COC1)c2ccccc2 2230a_100016991112_100000185958 [1,0,0,1,0,0|1,0,0]=3 9141 B15R2.16439 OC(COC1CCC1)c2ccccc2 34a_100000748187_100000185958 [1,0,0,1,0,0|1,0,0]=3 9142 B15R2.16439 OC(COC1CSC1)c2ccccc2 7a_100000072292_100000185958 [1,0,0,1,0,0|2,0,0]=4 9143 B15R2.16439 OC(CSC1CCC1)c2ccccc2 62a_100000185958_100000749161 [1,0,0,1,0,0|1,0,0]=3 9144 B15R2.16439 OC(CSC1COC1)c2ccccc2 62a_100000185958_100009818527 [1,0,0,1,0,0|2,0,0]=4 9145 B15R2.16439 O[C@H](CCN1CCC1)c2ccccc2 269982a_100000754969_100000729684 [1,0,0,1,0,0|2,0,0]=4 9146 B15R2.16439 O[C@H](CNC1CCC1)c2ccccc2 2230a_100000749019_100011933945 [1,0,0,1,0,0|0,0,0]=2 9147 B15R2.16439 O[C@H](CNC1CCC1)c2ccccc2 34a_100000749019_100011933945 [1,0,0,1,0,0|0,0,0]=2 9148 B15R2.16439 O[C@H](CNC1COC1)c2ccccc2 2230a_100016991112_100011933945 [1,0,0,1,0,0|1,0,0]=3 9149 B15R2.16439 O[C@H](COC1CCC1)c2ccccc2 34a_100000748187_100011933945 [1,0,0,1,0,0|1,0,0]=3 9150 B15R2.16439 O[C@H](COC1CSC1)c2ccccc2 7a_100000072292_100011933945 [1,0,0,1,0,0|2,0,0]=4 9151 B15R2.16439 O[C@H](CSC1CCC1)c2ccccc2 62a_100011933945_100000749161 [1,0,0,1,0,0|1,0,0]=3 9152 B15R2.16439 O[C@H](CSC1COC1)c2ccccc2 62a_100011933945_100009818527 [1,0,0,1,0,0|2,0,0]=4 9153 B15R2.16442 CC(CNCC1CC1)c2ccccc2 2230a_100000701038_100000742324 [1,0,0,1,0,0|1,0,0]=3 9154 B15R2.16442 CC(CNCC1CC1)c2ccccc2 2230a_100000735609_100000756946 [1,0,0,1,0,0|1,0,0]=3 9155 B15R2.16442 CC(CNCC1CC1)c2ccccc2 269862a_100000701038_100000741477 [1,0,0,1,0,0|1,0,0]=3 9156 B15R2.16442 CC(CNCC1CC1)c2ccccc2 270004a_100000735609_100000212034 [1,0,0,1,0,0|1,0,0]=3 9157 B15R2.16442 CC(CNCC1CC1)c2ccccc2 34a_100000701038_100000742324 [1,0,0,1,0,0|1,0,0]=3 9158 B15R2.16442 CC(CNCC1CC1)c2ccccc2 34a_100000735609_100000756946 [1,0,0,1,0,0|1,0,0]=3 9159 B15R2.16442 CC(CNCC1CO1)c2ccccc2 2230a_100000701038_100011216344 [1,0,0,1,0,0|2,0,0]=4 9160 B15R2.16442 CC(CNCC1CO1)c2ccccc2 34a_100000701038_102125554688 [1,0,0,1,0,0|2,0,0]=4 9161 B15R2.16442 CC(COCC1CC1)c2ccccc2 34a_100000211283_100000756946 [1,0,0,1,0,0|2,0,0]=4 9162 B15R2.16442 CC(COCC1CC1)c2ccccc2 34a_100011215166_100000742324 [1,0,0,1,0,0|2,0,0]=4 9163 B15R2.16442 CC(COCC1CC1)c2ccccc2 7a_100011215166_100000742324 [1,0,0,1,0,0|2,0,0]=4 9164 B15R2.16442 CC(CSCC1CC1)c2ccccc2 62a_100000756562_100000756946 [1,0,0,1,0,0|2,0,0]=4 9165 B15R2.16442 CC(CSCC1CC1)c2ccccc2 62a_100000756946_100000742324 [1,0,0,1,0,0|2,0,0]=4 9166 B15R2.16442 N[C@H](COCC1CC1)c2ccccc2 34a_100000751927_100000742324 [1,0,0,1,0,0|2,0,0]=4 9167 B15R2.16442 OC(CNCC1CC1)c2ccccc2 2230a_100000210709_100000742324 [1,0,0,1,0,0|0,0,0]=2 9168 B15R2.16442 OC(CNCC1CC1)c2ccccc2 2230a_100000735609_100000185958 [1,0,0,1,0,0|0,0,0]=2 9169 B15R2.16442 OC(CNCC1CC1)c2ccccc2 269862a_100000210709_100000741477 [1,0,0,1,0,0|0,0,0]=2 9170 B15R2.16442 OC(CNCC1CC1)c2ccccc2 34a_100000735609_100000185958 [1,0,0,1,0,0|0,0,0]=2 9171 B15R2.16442 OC(CNCC1CC1)c2ccccn2 2230a_100000691469_100000742324 [1,0,0,1,0,0|1,0,0]=3 9172 B15R2.16442 OC(CNCC1CC1)c2ccccn2 269862a_100000691469_100000741477 [1,0,0,1,0,0|1,0,0]=3 9173 B15R2.16442 OC(CNCC1CC1)c2cccnc2 2230a_100020605170_100000742324 [1,0,0,1,0,0|1,0,0]=3 9174 B15R2.16442 OC(CNCC1CC1)c2cccnc2 269862a_100020605170_100000741477 [1,0,0,1,0,0|1,0,0]=3 9175 B15R2.16442 OC(CNCC1CO1)c2ccccc2 2230a_100000210709_100011216344 [1,0,0,1,0,0|1,0,0]=3 9176 B15R2.16442 OC(CNCC1CO1)c2ccccn2 2230a_100000691469_100011216344 [1,0,0,1,0,0|2,0,0]=4 9177 B15R2.16442 OC(CNCC1CO1)c2cccnc2 2230a_100020605170_100011216344 [1,0,0,1,0,0|2,0,0]=4 9178 B15R2.16442 OC(COCC1CC1)c2ccccc2 34a_100000211283_100000185958 [1,0,0,1,0,0|1,0,0]=3 9179 B15R2.16442 OC(COC[C@@H]1CO1)c2ccccc2 34a_100000757423_100000185958 [1,0,0,1,0,0|2,0,0]=4 9180 B15R2.16442 OC(CSCC1CC1)c2ccccc2 62a_100000185958_100000742324 [1,0,0,1,0,0|1,0,0]=3 9181 B15R2.16442 OC(CSCC1CC1)c2ccccc2 62a_100000756562_100000185958 [1,0,0,1,0,0|1,0,0]=3 9182 B15R2.16442 OC(CSCC1CO1)c2ccccc2 62a_100000185958_102125554688 [1,0,0,1,0,0|2,0,0]=4 9183 B15R2.16442 OC(CSCC1CO1)c2ccccc2 62a_102125554688_100000185958 [1,0,0,1,0,0|2,0,0]=4 9184 B15R2.16442 OC(CSCC1CS1)c2ccccc2 62a_100000031435_100000185958 [1,0,0,1,0,0|2,0,0]=4 9185 B15R2.16442 OC(CSCC1CS1)c2ccccc2 62a_100000185958_100000031435 [1,0,0,1,0,0|2,0,0]=4 9186 B15R2.16442 OC(CSC[C@@H]1CO1)c2ccccc2 62a_100000185958_100000745022 [1,0,0,1,0,0|2,0,0]=4 9187 B15R2.16442 OC(CSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000185958 [1,0,0,1,0,0|2,0,0]=4 9188 B15R2.16442 O[C@H](CCNC1CC1)c2ccccc2 34a_100000212008_100000729684 [1,0,0,1,0,0|2,0,0]=4 9189 B15R2.16442 O[C@H](CCSC1CC1)c2ccccc2 62a_100000729684_100000211595 [1,0,0,1,0,0|2,0,0]=4 9190 B15R2.16442 O[C@H](CNCC1CC1)c2ccccc2 2230a_100000735609_100011933945 [1,0,0,1,0,0|0,0,0]=2 9191 B15R2.16442 O[C@H](CNCC1CC1)c2ccccc2 34a_100000735609_100011933945 [1,0,0,1,0,0|0,0,0]=2 9192 B15R2.16442 O[C@H](COCC1CC1)c2ccccc2 34a_100000211283_100011933945 [1,0,0,1,0,0|1,0,0]=3 9193 B15R2.16442 O[C@H](COC[C@@H]1CO1)c2ccccc2 34a_100000757423_100011933945 [1,0,0,1,0,0|2,0,0]=4 9194 B15R2.16442 O[C@H](CSCC1CC1)c2ccccc2 62a_100000756562_100011933945 [1,0,0,1,0,0|1,0,0]=3 9195 B15R2.16442 O[C@H](CSCC1CC1)c2ccccc2 62a_100011933945_100000742324 [1,0,0,1,0,0|1,0,0]=3 9196 B15R2.16442 O[C@H](CSCC1CO1)c2ccccc2 62a_100011933945_102125554688 [1,0,0,1,0,0|2,0,0]=4 9197 B15R2.16442 O[C@H](CSCC1CO1)c2ccccc2 62a_102125554688_100011933945 [1,0,0,1,0,0|2,0,0]=4 9198 B15R2.16442 O[C@H](CSCC1CS1)c2ccccc2 62a_100000031435_100011933945 [1,0,0,1,0,0|2,0,0]=4 9199 B15R2.16442 O[C@H](CSCC1CS1)c2ccccc2 62a_100011933945_100000031435 [1,0,0,1,0,0|2,0,0]=4 9200 B15R2.16442 O[C@H](CSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100011933945 [1,0,0,1,0,0|2,0,0]=4 9201 B15R2.16442 O[C@H](CSC[C@@H]1CO1)c2ccccc2 62a_100011933945_100000745022 [1,0,0,1,0,0|2,0,0]=4 9202 B15R2.71393 CCCCOCC1Cc2c1cccc2 34a_100012476685_100000210210 [1,0,0,1,0,0|2,0,0]=4 9203 B15R2.71393 CCCCOCC1Cc2c1cccc2 7a_100012476685_100000210211 [1,0,0,1,0,0|2,0,0]=4 9204 B17R2.188 CCCCN1CC(C1)Oc2ccc(cc2)C 269982a_100015183725_100000210211 [0,0,0,1,0,1|2,0,0]=4 9205 B17R2.188 CCCCN1CC(C1)Oc2ccc(cc2)C 34a_100015183725_100000210210 [0,0,0,1,0,1|2,0,0]=4 9206 B17R2.188 CCCCN1CC(C1)Oc2ccc(cc2)Cl 269982a_100011749130_100000210211 [0,0,0,1,0,1|2,0,0]=4 9207 B17R2.188 CCCCN1CC(C1)Oc2ccc(cc2)Cl 34a_100011749130_100000210210 [0,0,0,1,0,1|2,0,0]=4 9208 B17R2.188 CCCCN1CC(C1)Oc2ccc(cc2)F 269982a_100015184730_100000210211 [0,0,0,1,0,1|2,0,0]=4 9209 B17R2.188 CCCCN1CC(C1)Oc2ccc(cc2)F 34a_100015184730_100000210210 [0,0,0,1,0,1|2,0,0]=4 9210 B17R2.347 CC(CN1CCCC1)Oc2ccc(cc2)F 2230a_100000188435_100010228477 [0,0,0,1,0,1|2,0,0]=4 9211 B17R2.347 CC(CN1CCCC1)Oc2ccc(cc2)F 269982a_100000188435_100010228477 [0,0,0,1,0,1|2,0,0]=4 9212 B17R2.347 O=C(CN1CCCC1)Nc2ccc(cc2)O 2230a_100000188435_100000233757 [0,0,0,1,0,1|0,0,2]=4 9213 B17R2.347 O=C(CN1CCCC1)Nc2ccc(cc2)O 22a_100000185829_100000740243 [0,0,0,1,0,1|0,0,2]=4 9214 B17R2.347 O=C(CN1CCCC1)Nc2ccc(cc2)O 269982a_100000188435_100000233757 [0,0,0,1,0,1|0,0,2]=4 9215 B17R2.485 CC(CN1CCC1C)Oc2ccc(cc2)F 269982a_100000755817_100010228477 [0,0,0,1,0,1|2,0,0]=4 9216 B17R2.485 CC(CN1CCC1C)Oc2ccc(cc2)F 34a_100000755817_100010228477 [0,0,0,1,0,1|2,0,0]=4 9217 B17R2.485 CC1CCN1CC(=O)Nc2ccc(cc2)O 269982a_100000755817_100000233757 [0,0,0,1,0,1|0,0,2]=4 9218 B17R2.485 CC1CCN1CC(=O)Nc2ccc(cc2)O 34a_100000755817_100000233757 [0,0,0,1,0,1|0,0,2]=4 9219 B17R2.5873 CCCCNCc1nc2ccc(cc2o1)Br 2230a_100000102301_100000729449 [0,0,0,1,0,1|1,0,1]=4 9220 B17R2.5873 CCCCNCc1nc2ccc(cc2o1)Br 7a_106832991798_100000729449 [0,0,0,1,0,1|1,0,1]=4 9221 B17R2.5873 CCCCNCc1nc2ccc(cc2o1)C 2230a_100000102301_100011295139 [0,0,0,1,0,1|1,0,1]=4 9222 B17R2.5873 CCCCNCc1nc2ccc(cc2o1)C 7a_106832991798_100011295139 [0,0,0,1,0,1|1,0,1]=4 9223 B17R2.5873 CCCCNCc1nc2ccc(cc2o1)F 2230a_100000102301_100000687025 [0,0,0,1,0,1|1,0,1]=4 9224 B17R2.5873 CCCCNCc1nc2ccc(cc2o1)F 7a_106832991798_100000687025 [0,0,0,1,0,1|1,0,1]=4 9225 B17R2.57022 CC(CNCC1CC1)Oc2ccc(cc2)F 2230a_100000735609_100010228477 [0,0,0,1,0,1|2,0,0]=4 9226 B17R2.57022 CC(CNCC1CC1)Oc2ccc(cc2)F 2230a_200020586543_100000742324 [0,0,0,1,0,1|2,0,0]=4 9227 B17R2.57022 CC(CNCC1CC1)Oc2ccc(cc2)F 269862a_200020586543_100000741477 [0,0,0,1,0,1|2,0,0]=4 9228 B17R2.57022 CC(CNCC1CC1)Oc2ccc(cc2)F 34a_100000735609_100010228477 [0,0,0,1,0,1|2,0,0]=4 9229 B17R2.57022 CC(CNCC1CC1)Oc2ccc(cc2)F 34a_200020586543_100000742324 [0,0,0,1,0,1|2,0,0]=4 9230 B17R2.57022 Cc1ccc(cc1)OC(C)CNCC2CC2 2230a_100000763606_100000742324 [0,0,0,1,0,1|2,0,0]=4 9231 B17R2.57022 Cc1ccc(cc1)OC(C)CNCC2CC2 269862a_100000763606_100000741477 [0,0,0,1,0,1|2,0,0]=4 9232 B17R2.57022 Cc1ccc(cc1)OC(C)CNCC2CC2 34a_100000763606_100000742324 [0,0,0,1,0,1|2,0,0]=4 9233 B17R2.57022 O=C(CNCC1CC1)Nc2ccc(cc2)O 2230a_100000735609_100000233757 [0,0,0,1,0,1|0,0,2]=4 9234 B17R2.57022 O=C(CNCC1CC1)Nc2ccc(cc2)O 34a_100000735609_100000233757 [0,0,0,1,0,1|0,0,2]=4 9235 B17R2.57023 CC(CNC1CCC1)Oc2ccc(cc2)F 2230a_100000749019_100010228477 [0,0,0,1,0,1|2,0,0]=4 9236 B17R2.57023 CC(CNC1CCC1)Oc2ccc(cc2)F 270004a_200020586543_100000241760 [0,0,0,1,0,1|2,0,0]=4 9237 B17R2.57023 CC(CNC1CCC1)Oc2ccc(cc2)F 34a_100000749019_100010228477 [0,0,0,1,0,1|2,0,0]=4 9238 B17R2.57023 CC(CNC1CCC1)Oc2ccc(cc2)F 34a_200020586543_100000749161 [0,0,0,1,0,1|2,0,0]=4 9239 B17R2.57023 Cc1ccc(cc1)OC(C)CNC2CCC2 270004a_100000763606_100000241760 [0,0,0,1,0,1|2,0,0]=4 9240 B17R2.57023 Cc1ccc(cc1)OC(C)CNC2CCC2 34a_100000763606_100000749161 [0,0,0,1,0,1|2,0,0]=4 9241 B17R2.57023 O=C(CNC1CCC1)Nc2ccc(cc2)O 2230a_100000749019_100000233757 [0,0,0,1,0,1|0,0,2]=4 9242 B17R2.57023 O=C(CNC1CCC1)Nc2ccc(cc2)O 34a_100000749019_100000233757 [0,0,0,1,0,1|0,0,2]=4 9243 B17R2.524766 CCCCNC1c2cc(ccc2CC1C)Br 269862a_100000102301_100000694082 [0,0,0,1,0,1|2,0,0]=4 9244 B17R2.524766 CCCCNC1c2cc(ccc2CC1C)C 269862a_100000102301_100000698133 [0,0,0,1,0,1|2,0,0]=4 9245 B17R2.524766 CCCCNC1c2cc(ccc2CC1C)Cl 269862a_100000102301_100012183047 [0,0,0,1,0,1|2,0,0]=4 9246 B17R2.524766 CCCCNC1c2cc(ccc2CC1C)F 269862a_100000102301_100000685414 [0,0,0,1,0,1|2,0,0]=4 9247 B17R2.40 CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)O 271570a_203496583355_100020625669 [0,1,0,1,0,0|2,0,0]=4 9248 B17R2.189 CCCCN1CCC(C1)c2ccc(cc2)Cl 2230a_100000754569_100000210211 [0,1,0,1,0,0|2,0,0]=4 9249 B17R2.189 CCCCN1CCC(C1)c2ccc(cc2)Cl 269982a_100000754569_100000210211 [0,1,0,1,0,0|2,0,0]=4 9250 B17R2.189 CCCCN1CCC(C1)c2ccc(cc2)Cl 34a_100000754569_100000210210 [0,1,0,1,0,0|2,0,0]=4 9251 B17R2.189 CCCCN1CCC(C1)c2ccc(cc2)F 2230a_200000685600_100000210211 [0,1,0,1,0,0|2,0,0]=4 9252 B17R2.189 CCCCN1CCC(C1)c2ccc(cc2)F 269982a_200000685600_100000210211 [0,1,0,1,0,0|2,0,0]=4 9253 B17R2.189 CCCCN1CCC(C1)c2ccc(cc2)F 34a_200000685600_100000210210 [0,1,0,1,0,0|2,0,0]=4 9254 B17R2.3788 CCCCNCC1(CC1)c2ccc(cc2)Br 2230a_100020622185_100000210211 [0,1,0,1,0,0|2,0,0]=4 9255 B17R2.3788 CCCCNCC1(CC1)c2ccc(cc2)Br 34a_100020622185_100000210210 [0,1,0,1,0,0|2,0,0]=4 9256 B17R2.3788 CCCCNCC1(CC1)c2ccc(cc2)Cl 2230a_100000750706_100000210211 [0,1,0,1,0,0|2,0,0]=4 9257 B17R2.3788 CCCCNCC1(CC1)c2ccc(cc2)Cl 34a_100000750706_100000210210 [0,1,0,1,0,0|2,0,0]=4 9258 B17R2.3788 CCCCNCC1(CC1)c2ccc(cc2)F 2230a_100020620144_100000210211 [0,1,0,1,0,0|2,0,0]=4 9259 B17R2.3788 CCCCNCC1(CC1)c2ccc(cc2)F 34a_100020620144_100000210210 [0,1,0,1,0,0|2,0,0]=4 9260 B17R2.59242 CCCCNN=C1COc2c1ccc(c2)O 4a_100025702795_100000216533 [0,1,0,1,0,0|1,0,1]=4 9261 B17R2.384 CC1SCCN1CC(=O)c2ccc(cc2)O 269982a_200011216479_100009814261 [0,1,0,1,0,0|0,0,2]=4 9262 B17R2.384 CC1SCCN1CC(=O)c2ccc(cc2)O 34a_200011216479_100009814261 [0,1,0,1,0,0|0,0,2]=4 9263 B17R2.384 CC1SCCN1CC(O)c2ccc(cc2)Cl 2230a_200011216479_200011996143 [0,1,0,1,0,0|1,0,0]=3 9264 B17R2.384 CC1SCCN1CC(O)c2ccc(cc2)Cl 34a_200011216479_200011996143 [0,1,0,1,0,0|1,0,0]=3 9265 B17R2.384 CC1SCCN1C[C@H](O)c2ccc(cc2)F 2230a_200011216479_100000720402 [0,1,0,1,0,0|1,0,0]=3 9266 B17R2.384 CC1SCCN1C[C@H](O)c2ccc(cc2)F 34a_200011216479_100000720402 [0,1,0,1,0,0|1,0,0]=3 9267 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)O 269982a_100015189458_100009814261 [0,1,0,1,0,0|0,0,2]=4 9268 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)O 34a_100015189458_100009814261 [0,1,0,1,0,0|0,0,2]=4 9269 B17R2.384 C[C@@H]1CCCN1CC(O)c2ccc(cc2)Cl 2230a_100015189458_200011996143 [0,1,0,1,0,0|1,0,0]=3 9270 B17R2.384 C[C@@H]1CCCN1CC(O)c2ccc(cc2)Cl 34a_100015189458_200011996143 [0,1,0,1,0,0|1,0,0]=3 9271 B17R2.384 C[C@@H]1CCCN1C[C@H](O)c2ccc(cc2)F 2230a_100015189458_100000720402 [0,1,0,1,0,0|1,0,0]=3 9272 B17R2.384 C[C@@H]1CCCN1C[C@H](O)c2ccc(cc2)F 34a_100015189458_100000720402 [0,1,0,1,0,0|1,0,0]=3 9273 B17R2.384 C[C@H]1CCCN1CC(=O)c2ccc(cc2)O 269982a_100020605311_100009814261 [0,1,0,1,0,0|0,0,2]=4 9274 B17R2.384 C[C@H]1CCCN1CC(O)c2ccc(cc2)Cl 2230a_100020605311_200011996143 [0,1,0,1,0,0|1,0,0]=3 9275 B17R2.384 C[C@H]1CCCN1C[C@H](O)c2ccc(cc2)F 2230a_100020605311_100000720402 [0,1,0,1,0,0|1,0,0]=3 9276 B17R2.3283 CC(CNC1CCCC1)c2ccc(cc2)O 270004a_200015188644_100000210133 [0,1,0,1,0,0|1,0,0]=3 9277 B17R2.3283 CC(CNC1CCCC1)c2ccc(cc2)O 34a_200015188644_100000179811 [0,1,0,1,0,0|1,0,0]=3 9278 B17R2.3283 CC(CNC1CCOC1)c2ccc(cc2)O 270004a_200015188644_100000752484 [0,1,0,1,0,0|1,0,0]=3 9279 B17R2.3283 CC(CNC1CCOC1)c2ccc(cc2)O 34a_200015188644_100000690089 [0,1,0,1,0,0|1,0,0]=3 9280 B17R2.3283 CC(CNC1CCSC1)c2ccc(cc2)O 270004a_200015188644_100000212027 [0,1,0,1,0,0|1,0,0]=3 9281 B17R2.3283 CN(CCN1CCCC1)c2ccc(cc2)O 269982a_100000182112_100000004467 [0,1,0,1,0,0|2,0,0]=4 9282 B17R2.3283 C[C@H](NCC1CCCC1)c2ccc(cc2)O 2230a_100161106496_100000740388 [0,1,0,1,0,0|2,0,0]=4 9283 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCCC2 2230a_200020610344_100000179811 [0,1,0,1,0,0|1,0,0]=3 9284 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCCC2 270004a_200020610344_100000210133 [0,1,0,1,0,0|1,0,0]=3 9285 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCCC2 34a_200020610344_100000179811 [0,1,0,1,0,0|1,0,0]=3 9286 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCOC2 2230a_200020610344_100000731011 [0,1,0,1,0,0|1,0,0]=3 9287 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCOC2 270004a_200020610344_100000752484 [0,1,0,1,0,0|1,0,0]=3 9288 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCOC2 34a_200020610344_100000690089 [0,1,0,1,0,0|1,0,0]=3 9289 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCSC2 270004a_200020610344_100000212027 [0,1,0,1,0,0|1,0,0]=3 9290 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)O 1458a_100000212099_100000004467 [0,1,0,1,0,0|0,0,2]=4 9291 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)O 2230a_100000188435_100009879949 [0,1,0,1,0,0|0,0,2]=4 9292 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)O 269982a_100000188435_100009879949 [0,1,0,1,0,0|0,0,2]=4 9293 B17R2.3283 O=C(CNC1CCCC1)c2ccc(cc2)O 34a_100000211070_100009814261 [0,1,0,1,0,0|0,0,2]=4 9294 B17R2.3283 O=C(CN[C@H]1CCOC1)c2ccc(cc2)O 34a_100015188467_100009814261 [0,1,0,1,0,0|0,0,2]=4 9295 B17R2.3283 OC(CNC1CC=CC1)c2ccc(cc2)Cl 2230a_100015188752_200011996143 [0,1,0,1,0,0|1,0,1]=4 9296 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Br 2230a_100020626992_100000179811 [0,1,0,1,0,0|1,0,0]=3 9297 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Br 270004a_100020626992_100000210133 [0,1,0,1,0,0|1,0,0]=3 9298 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Br 34a_100020626992_100000179811 [0,1,0,1,0,0|1,0,0]=3 9299 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 2230a_100000211070_200011996143 [0,1,0,1,0,0|1,0,0]=3 9300 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 2230a_100000736658_100000179811 [0,1,0,1,0,0|1,0,0]=3 9301 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 270004a_100000736658_100000210133 [0,1,0,1,0,0|1,0,0]=3 9302 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 34a_100000211070_200011996143 [0,1,0,1,0,0|1,0,0]=3 9303 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 34a_100000736658_100000179811 [0,1,0,1,0,0|1,0,0]=3 9304 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Br 2230a_100020626992_100000731011 [0,1,0,1,0,0|1,0,0]=3 9305 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Br 270004a_100020626992_100000752484 [0,1,0,1,0,0|1,0,0]=3 9306 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Br 34a_100020626992_100000690089 [0,1,0,1,0,0|1,0,0]=3 9307 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Cl 2230a_100000736658_100000731011 [0,1,0,1,0,0|1,0,0]=3 9308 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Cl 270004a_100000736658_100000752484 [0,1,0,1,0,0|1,0,0]=3 9309 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Cl 34a_100000736658_100000690089 [0,1,0,1,0,0|1,0,0]=3 9310 B17R2.3283 OC(CNC1CCSC1)c2ccc(cc2)Br 270004a_100020626992_100000212027 [0,1,0,1,0,0|1,0,0]=3 9311 B17R2.3283 OC(CNC1CCSC1)c2ccc(cc2)Cl 270004a_100000736658_100000212027 [0,1,0,1,0,0|1,0,0]=3 9312 B17R2.3283 OC(CN[C@@H]1CCOC1)c2ccc(cc2)Cl 2230a_200015188469_200011996143 [0,1,0,1,0,0|1,0,0]=3 9313 B17R2.3283 OC(CN[C@H]1CCOC1)c2ccc(cc2)Cl 2230a_100015188467_200011996143 [0,1,0,1,0,0|1,0,0]=3 9314 B17R2.3283 OC(CN[C@H]1CCOC1)c2ccc(cc2)Cl 34a_100015188467_200011996143 [0,1,0,1,0,0|1,0,0]=3 9315 B17R2.3283 OC(COC1CCCC1)c2ccc(cc2)Cl 34a_100000210269_200011996143 [0,1,0,1,0,0|2,0,0]=4 9316 B17R2.3283 OC(COC1CCCC1)c2ccc(cc2)Cl 7a_100000210269_200011996143 [0,1,0,1,0,0|2,0,0]=4 9317 B17R2.3283 OC(COC1CCCO1)c2ccc(cc2)Cl 34a_100000085407_200011996143 [0,1,0,1,0,0|2,0,0]=4 9318 B17R2.3283 OC(COC1CCSC1)c2ccc(cc2)Cl 7a_100011232664_200011996143 [0,1,0,1,0,0|2,0,0]=4 9319 B17R2.3283 OC(CO[C@H]1CCOC1)c2ccc(cc2)Cl 34a_100000717292_200011996143 [0,1,0,1,0,0|2,0,0]=4 9320 B17R2.3283 OC(CSC1CCCC1)c2ccc(cc2)Cl 62a_100011217020_200011996143 [0,1,0,1,0,0|2,0,0]=4 9321 B17R2.3283 OC(CSC1CCCC1)c2ccc(cc2)Cl 62a_200011996143_100000179811 [0,1,0,1,0,0|2,0,0]=4 9322 B17R2.3283 OC(CSC1CCOC1)c2ccc(cc2)Cl 62a_200011996143_100000690089 [0,1,0,1,0,0|2,0,0]=4 9323 B17R2.3283 O[C@@H](CNC1CC=CC1)c2ccc(cc2)F 2230a_100015188752_100000720402 [0,1,0,1,0,0|1,0,1]=4 9324 B17R2.3283 O[C@@H](CNC1CCCC1)c2ccc(cc2)F 2230a_100000211070_100000720402 [0,1,0,1,0,0|1,0,0]=3 9325 B17R2.3283 O[C@@H](CNC1CCCC1)c2ccc(cc2)F 34a_100000211070_100000720402 [0,1,0,1,0,0|1,0,0]=3 9326 B17R2.3283 O[C@@H](CN[C@@H]1CCOC1)c2ccc(cc2)F 2230a_200015188469_100000720402 [0,1,0,1,0,0|1,0,0]=3 9327 B17R2.3283 O[C@@H](CN[C@H]1CCOC1)c2ccc(cc2)F 2230a_100015188467_100000720402 [0,1,0,1,0,0|1,0,0]=3 9328 B17R2.3283 O[C@@H](CN[C@H]1CCOC1)c2ccc(cc2)F 34a_100015188467_100000720402 [0,1,0,1,0,0|1,0,0]=3 9329 B17R2.3283 O[C@@H](COC1CCCC1)c2ccc(cc2)F 34a_100000210269_100000720402 [0,1,0,1,0,0|2,0,0]=4 9330 B17R2.3283 O[C@@H](COC1CCCC1)c2ccc(cc2)F 7a_100000210269_100000720402 [0,1,0,1,0,0|2,0,0]=4 9331 B17R2.3283 O[C@@H](COC1CCCO1)c2ccc(cc2)F 34a_100000085407_100000720402 [0,1,0,1,0,0|2,0,0]=4 9332 B17R2.3283 O[C@@H](COC1CCSC1)c2ccc(cc2)F 7a_100011232664_100000720402 [0,1,0,1,0,0|2,0,0]=4 9333 B17R2.3283 O[C@@H](CO[C@H]1CCOC1)c2ccc(cc2)F 34a_100000717292_100000720402 [0,1,0,1,0,0|2,0,0]=4 9334 B17R2.3283 O[C@@H](CSC1CCCC1)c2ccc(cc2)F 62a_100000720402_100000179811 [0,1,0,1,0,0|2,0,0]=4 9335 B17R2.3283 O[C@@H](CSC1CCCC1)c2ccc(cc2)F 62a_100011217020_100000720402 [0,1,0,1,0,0|2,0,0]=4 9336 B17R2.3283 O[C@@H](CSC1CCOC1)c2ccc(cc2)F 62a_100000720402_100000690089 [0,1,0,1,0,0|2,0,0]=4 9337 B17R2.3283 Oc1ccc(cc1)C(O)CNC2CCCC2 34a_100000067596_100000179811 [0,1,0,1,0,0|0,0,0]=2 9338 B17R2.3283 Oc1ccc(cc1)C(O)CNC2CCOC2 34a_100000067596_100000690089 [0,1,0,1,0,0|0,0,0]=2 9339 B17R2.6256 CCCC(C)NC1CC1c2ccc(cc2)Br 2230a_100000755575_100000766640 [0,1,0,1,0,0|2,0,0]=4 9340 B17R2.6256 CCCC(C)NC1CC1c2ccc(cc2)Br 34a_100000755575_100000766640 [0,1,0,1,0,0|2,0,0]=4 9341 B17R2.6256 CCCC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000766640 [0,1,0,1,0,0|2,0,0]=4 9342 B17R2.6256 CCCC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000766640 [0,1,0,1,0,0|2,0,0]=4 9343 B17R2.18947 C=C1CC(C1)NCC(O)c2ccc(cc2)Cl 2230a_100132301982_200011996143 [0,1,0,1,0,0|1,0,1]=4 9344 B17R2.18947 C=C1CC(C1)NC[C@H](O)c2ccc(cc2)F 2230a_100132301982_100000720402 [0,1,0,1,0,0|1,0,1]=4 9345 B17R2.18947 OC(CNC1CC(C1)F)c2ccc(cc2)Cl 2230a_100016993743_200011996143 [0,1,0,1,0,0|1,0,0]=3 9346 B17R2.18947 OC(CN[C@H]1C[C@@H](C1)O)c2ccc(cc2)Cl 2230a_100020629032_200011996143 [0,1,0,1,0,0|1,0,0]=3 9347 B17R2.18947 O[C@@H](CNC1CC(C1)F)c2ccc(cc2)F 2230a_100016993743_100000720402 [0,1,0,1,0,0|1,0,0]=3 9348 B17R2.18947 O[C@@H](CN[C@H]1C[C@@H](C1)O)c2ccc(cc2)F 2230a_100020629032_100000720402 [0,1,0,1,0,0|1,0,0]=3 9349 B17R2.56460 CC(CNC(=O)C1CC1)c2ccc(cc2)O 240690a_200015188644_100000210395 [0,1,0,1,0,0|1,0,1]=4 9350 B17R2.56460 CC(CNC(=O)C1CC1)c2ccc(cc2)O 527a_200015188644_100000210395 [0,1,0,1,0,0|1,0,1]=4 9351 B17R2.56460 CC(CNC(C)C1CC1)c2ccc(cc2)O 269862a_200015188644_100000210639 [0,1,0,1,0,0|1,0,0]=3 9352 B17R2.56460 CC(CNC(C)C1CO1)c2ccc(cc2)O 270004a_200015188644_100000031964 [0,1,0,1,0,0|2,0,0]=4 9353 B17R2.56460 CC(NCC(=O)c1ccc(cc1)O)C2CC2 34a_100000700016_100009814261 [0,1,0,1,0,0|0,0,2]=4 9354 B17R2.56460 CC(NCC(O)c1ccc(cc1)Br)C2CC2 269862a_100020626992_100000210639 [0,1,0,1,0,0|1,0,0]=3 9355 B17R2.56460 CC(NCC(O)c1ccc(cc1)Br)C2CO2 270004a_100020626992_100000031964 [0,1,0,1,0,0|2,0,0]=4 9356 B17R2.56460 CC(NCC(O)c1ccc(cc1)Cl)C2CC2 2230a_100000700016_200011996143 [0,1,0,1,0,0|1,0,0]=3 9357 B17R2.56460 CC(NCC(O)c1ccc(cc1)Cl)C2CC2 269862a_100000736658_100000210639 [0,1,0,1,0,0|1,0,0]=3 9358 B17R2.56460 CC(NCC(O)c1ccc(cc1)Cl)C2CC2 34a_100000700016_200011996143 [0,1,0,1,0,0|1,0,0]=3 9359 B17R2.56460 CC(NCC(O)c1ccc(cc1)Cl)C2CO2 270004a_100000736658_100000031964 [0,1,0,1,0,0|2,0,0]=4 9360 B17R2.56460 CC(NC[C@H](O)c1ccc(cc1)F)C2CC2 2230a_100000700016_100000720402 [0,1,0,1,0,0|1,0,0]=3 9361 B17R2.56460 CC(NC[C@H](O)c1ccc(cc1)F)C2CC2 34a_100000700016_100000720402 [0,1,0,1,0,0|1,0,0]=3 9362 B17R2.56460 CC(OCC(O)c1ccc(cc1)Cl)C2CC2 34a_100000744524_200011996143 [0,1,0,1,0,0|2,0,0]=4 9363 B17R2.56460 CC(OCC(O)c1ccc(cc1)Cl)C2CC2 7a_100000744524_200011996143 [0,1,0,1,0,0|2,0,0]=4 9364 B17R2.56460 CC(OC[C@H](O)c1ccc(cc1)F)C2CC2 34a_100000744524_100000720402 [0,1,0,1,0,0|2,0,0]=4 9365 B17R2.56460 CC(OC[C@H](O)c1ccc(cc1)F)C2CC2 7a_100000744524_100000720402 [0,1,0,1,0,0|2,0,0]=4 9366 B17R2.56460 Cc1ccc(cc1)C(O)CNC(=O)C2CC2 240690a_200020610344_100000210395 [0,1,0,1,0,0|1,0,1]=4 9367 B17R2.56460 Cc1ccc(cc1)C(O)CNC(=O)C2CC2 527a_200020610344_100000210395 [0,1,0,1,0,0|1,0,1]=4 9368 B17R2.56460 Cc1ccc(cc1)C(O)CNC(C)C2CC2 269862a_200020610344_100000210639 [0,1,0,1,0,0|1,0,0]=3 9369 B17R2.56460 Cc1ccc(cc1)C(O)CNC(C)C2CO2 270004a_200020610344_100000031964 [0,1,0,1,0,0|2,0,0]=4 9370 B17R2.56460 O=C(NCC(O)c1ccc(cc1)Br)C2CC2 240690a_100020626992_100000210395 [0,1,0,1,0,0|1,0,1]=4 9371 B17R2.56460 O=C(NCC(O)c1ccc(cc1)Br)C2CC2 527a_100020626992_100000210395 [0,1,0,1,0,0|1,0,1]=4 9372 B17R2.56460 O=C(NCC(O)c1ccc(cc1)Cl)C2CC2 11a_100000736658_100000210395 [0,1,0,1,0,0|1,0,1]=4 9373 B17R2.56460 O=C(NCC(O)c1ccc(cc1)Cl)C2CC2 240690a_100000736658_100000210395 [0,1,0,1,0,0|1,0,1]=4 9374 B17R2.56460 O=C(NCC(O)c1ccc(cc1)Cl)C2CC2 527a_100000736658_100000210395 [0,1,0,1,0,0|1,0,1]=4 9375 B17R2.56460 O=C(NCC(O)c1ccc(cc1)O)C2CC2 240690a_100000067596_100000210395 [0,1,0,1,0,0|0,0,1]=3 9376 B17R2.56460 O=C(NCC(O)c1ccc(cc1)O)C2CO2 240690a_100000067596_100000701028 [0,1,0,1,0,0|1,0,1]=4 9377 B17R2.56738 CC1(CCC1)NCC(=O)c2ccc(cc2)O 34a_100000692455_100009814261 [0,1,0,1,0,0|0,0,2]=4 9378 B17R2.56738 CC1(CCC1)NCC(O)c2ccc(cc2)Cl 2230a_100000692455_200011996143 [0,1,0,1,0,0|1,0,0]=3 9379 B17R2.56738 CC1(CCC1)NCC(O)c2ccc(cc2)Cl 34a_100000692455_200011996143 [0,1,0,1,0,0|1,0,0]=3 9380 B17R2.56738 CC1(CCC1)NC[C@H](O)c2ccc(cc2)F 2230a_100000692455_100000720402 [0,1,0,1,0,0|1,0,0]=3 9381 B17R2.56738 CC1(CCC1)NC[C@H](O)c2ccc(cc2)F 34a_100000692455_100000720402 [0,1,0,1,0,0|1,0,0]=3 9382 B17R2.56738 CC1(CCC1)OCC(O)c2ccc(cc2)Cl 34a_100000759064_200011996143 [0,1,0,1,0,0|2,0,0]=4 9383 B17R2.56738 CC1(CCC1)OCC(O)c2ccc(cc2)Cl 7a_100000759064_200011996143 [0,1,0,1,0,0|2,0,0]=4 9384 B17R2.56738 CC1(CCC1)OC[C@H](O)c2ccc(cc2)F 34a_100000759064_100000720402 [0,1,0,1,0,0|2,0,0]=4 9385 B17R2.56738 CC1(CCC1)OC[C@H](O)c2ccc(cc2)F 7a_100000759064_100000720402 [0,1,0,1,0,0|2,0,0]=4 9386 B17R2.56738 CC1(COC1)NCC(O)c2ccc(cc2)Cl 2230a_100000732644_200011996143 [0,1,0,1,0,0|2,0,0]=4 9387 B17R2.56738 CC1(COC1)NC[C@H](O)c2ccc(cc2)F 2230a_100000732644_100000720402 [0,1,0,1,0,0|2,0,0]=4 9388 B17R2.198 CC(C(=O)N1CCCC1)c2ccc(cc2)O 240690a_100000188435_100000031422 [0,1,0,1,0,0|1,0,1]=4 9389 B17R2.198 CC(C(=O)c1ccc(cc1)O)N2CCCC2 2230a_100000188435_200010205864 [0,1,0,1,0,0|0,0,2]=4 9390 B17R2.198 CC(C(=O)c1ccc(cc1)O)N2CCCC2 269982a_100000188435_200010205864 [0,1,0,1,0,0|0,0,2]=4 9391 B17R2.198 Cc1ccc(cc1)[C@@H](O)C(=O)N2CCCC2 240690a_100000188435_100009815954 [0,1,0,1,0,0|1,0,1]=4 9392 B17R2.198 O=C(C(O)c1ccc(cc1)Br)N2CCCC2 240690a_100000188435_100000756554 [0,1,0,1,0,0|1,0,1]=4 9393 B17R2.198 O=C(C(O)c1ccc(cc1)F)N2CCCC2 240690a_100000188435_100000209909 [0,1,0,1,0,0|1,0,1]=4 9394 B17R2.198 O=C(C(O)c1ccc(cc1)O)N2CCCC2 240690a_100000188435_100011215213 [0,1,0,1,0,0|0,0,1]=3 9395 B17R2.198 O=C(C(O)c1ccc(cc1)O)N2CCSC2 240690a_100011215254_100011215213 [0,1,0,1,0,0|1,0,1]=4 9396 B17R2.198 O=C(C1CCCC1)C(O)c2ccc(cc2)O 1458a_100011215213_100000179811 [0,1,0,1,0,0|1,0,1]=4 9397 B17R2.198 O=C([C@H](O)c1ccc(cc1)Cl)N2CCCC2 240690a_100000188435_100009817493 [0,1,0,1,0,0|1,0,1]=4 9398 B17R2.398 CC(C(=O)N1CCC1C)c2ccc(cc2)O 240690a_100000755817_100000031422 [0,1,0,1,0,0|1,0,1]=4 9399 B17R2.398 CC1CCN1C(=O)C(O)c2ccc(cc2)Br 240690a_100000755817_100000756554 [0,1,0,1,0,0|1,0,1]=4 9400 B17R2.398 CC1CCN1C(=O)C(O)c2ccc(cc2)F 240690a_100000755817_100000209909 [0,1,0,1,0,0|1,0,1]=4 9401 B17R2.398 CC1CCN1C(=O)C(O)c2ccc(cc2)O 240690a_100000755817_100011215213 [0,1,0,1,0,0|0,0,1]=3 9402 B17R2.398 CC1CCN1C(=O)[C@H](O)c2ccc(cc2)Cl 240690a_100000755817_100009817493 [0,1,0,1,0,0|1,0,1]=4 9403 B17R2.398 CC1CCN1C(C)C(=O)c2ccc(cc2)O 269982a_100000755817_200010205864 [0,1,0,1,0,0|0,0,2]=4 9404 B17R2.398 CC1CCN1C(C)C(=O)c2ccc(cc2)O 34a_100000755817_200010205864 [0,1,0,1,0,0|0,0,2]=4 9405 B17R2.398 Cc1ccc(cc1)[C@@H](O)C(=O)N2CCC2C 240690a_100000755817_100009815954 [0,1,0,1,0,0|1,0,1]=4 9406 B17R2.401 O=C(N[C@@H]1C[C@@H]1F)C(O)c2ccc(cc2)O 240690a_100015190264_100011215213 [0,1,0,1,0,0|1,0,1]=4 9407 B17R2.401 O=C(N[C@@H]1C[C@H]1F)C(O)c2ccc(cc2)O 240690a_100025746932_100011215213 [0,1,0,1,0,0|1,0,1]=4 9408 B17R2.56642 CC(C(=O)NCC1CC1)c2ccc(cc2)O 240690a_100000735609_100000031422 [0,1,0,1,0,0|1,0,1]=4 9409 B17R2.56642 CC(NCC1CC1)C(=O)c2ccc(cc2)O 2230a_100000735609_200010205864 [0,1,0,1,0,0|0,0,2]=4 9410 B17R2.56642 CC(NCC1CC1)C(=O)c2ccc(cc2)O 34a_100000735609_200010205864 [0,1,0,1,0,0|0,0,2]=4 9411 B17R2.56642 C[C@@H](NCC1CC1)[C@@H](O)c2ccc(cc2)Cl 2230a_200009830414_100000742324 [0,1,0,1,0,0|1,0,0]=3 9412 B17R2.56642 C[C@@H](NCC1CC1)[C@@H](O)c2ccc(cc2)Cl 34a_200009830414_100000742324 [0,1,0,1,0,0|1,0,0]=3 9413 B17R2.56642 C[C@@H](NCC1CO1)[C@@H](O)c2ccc(cc2)Cl 2230a_200009830414_100011216344 [0,1,0,1,0,0|2,0,0]=4 9414 B17R2.56642 C[C@@H](NCC1CO1)[C@@H](O)c2ccc(cc2)Cl 34a_200009830414_102125554688 [0,1,0,1,0,0|2,0,0]=4 9415 B17R2.56642 Cc1ccc(cc1)[C@@H](O)C(=O)NCC2CC2 240690a_100000735609_100009815954 [0,1,0,1,0,0|1,0,1]=4 9416 B17R2.56642 O=C(CCC1CC1)C(O)c2ccc(cc2)O 1458a_100011215213_100000694398 [0,1,0,1,0,0|1,0,1]=4 9417 B17R2.56642 O=C(NCC1CC1)C(O)c2ccc(cc2)Br 240690a_100000735609_100000756554 [0,1,0,1,0,0|1,0,1]=4 9418 B17R2.56642 O=C(NCC1CC1)C(O)c2ccc(cc2)F 240690a_100000735609_100000209909 [0,1,0,1,0,0|1,0,1]=4 9419 B17R2.56642 O=C(NCC1CC1)C(O)c2ccc(cc2)O 240690a_100000735609_100011215213 [0,1,0,1,0,0|0,0,1]=3 9420 B17R2.56642 O=C(NCC1CC1)[C@H](O)c2ccc(cc2)Cl 240690a_100000735609_100009817493 [0,1,0,1,0,0|1,0,1]=4 9421 B17R2.56642 O=C(NNC1CC1)C(O)c2ccc(cc2)O 22a_100000701032_100011215213 [0,1,0,1,0,0|1,0,1]=4 9422 B17R2.56676 CC(C(=O)NC1CCC1)c2ccc(cc2)O 240690a_100000749019_100000031422 [0,1,0,1,0,0|1,0,1]=4 9423 B17R2.56676 CC(NC1CCC1)C(=O)c2ccc(cc2)O 2230a_100000749019_200010205864 [0,1,0,1,0,0|0,0,2]=4 9424 B17R2.56676 CC(NC1CCC1)C(=O)c2ccc(cc2)O 34a_100000749019_200010205864 [0,1,0,1,0,0|0,0,2]=4 9425 B17R2.56676 C[C@@H](NC1CCC1)[C@@H](O)c2ccc(cc2)Cl 270004a_200009830414_100000241760 [0,1,0,1,0,0|1,0,0]=3 9426 B17R2.56676 C[C@@H](NC1CCC1)[C@@H](O)c2ccc(cc2)Cl 34a_200009830414_100000749161 [0,1,0,1,0,0|1,0,0]=3 9427 B17R2.56676 C[C@@H](NC1COC1)[C@@H](O)c2ccc(cc2)Cl 34a_200009830414_100009818527 [0,1,0,1,0,0|2,0,0]=4 9428 B17R2.56676 Cc1ccc(cc1)[C@@H](O)C(=O)NC2CCC2 240690a_100000749019_100009815954 [0,1,0,1,0,0|1,0,1]=4 9429 B17R2.56676 O=C(CC1CCC1)C(O)c2ccc(cc2)O 1458a_100011215213_100000763275 [0,1,0,1,0,0|1,0,1]=4 9430 B17R2.56676 O=C(NC1CCC1)C(O)c2ccc(cc2)Br 240690a_100000749019_100000756554 [0,1,0,1,0,0|1,0,1]=4 9431 B17R2.56676 O=C(NC1CCC1)C(O)c2ccc(cc2)F 240690a_100000749019_100000209909 [0,1,0,1,0,0|1,0,1]=4 9432 B17R2.56676 O=C(NC1CCC1)C(O)c2ccc(cc2)O 240690a_100000749019_100011215213 [0,1,0,1,0,0|0,0,1]=3 9433 B17R2.56676 O=C(NC1CCC1)[C@H](O)c2ccc(cc2)Cl 240690a_100000749019_100009817493 [0,1,0,1,0,0|1,0,1]=4 9434 B17R2.56676 O=C(NC1COC1)C(O)c2ccc(cc2)O 240690a_100016991112_100011215213 [0,1,0,1,0,0|1,0,1]=4 9435 B17R2.56676 O=C(NC1CSC1)C(O)c2ccc(cc2)O 240690a_100016994217_100011215213 [0,1,0,1,0,0|1,0,1]=4 9436 B17R2.192 C[C@H](NC1CCCCC1)c2ccc(cc2)O 270004a_100161106496_100000210434 [0,1,0,1,0,0|2,0,0]=4 9437 B17R2.192 O=C(CN1CCCOC1)c2ccc(cc2)O 269982a_100000131196_100009814261 [0,1,0,1,0,0|0,0,2]=4 9438 B17R2.192 O=C(CN1CCCOC1)c2ccc(cc2)O 34a_100000131196_100009814261 [0,1,0,1,0,0|0,0,2]=4 9439 B17R2.192 O=C(CN1CCNCC1)c2ccc(cc2)O 271570a_203496583355_200011591736 [0,1,0,1,0,0|0,0,2]=4 9440 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)O 269982a_100015191051_100009814261 [0,1,0,1,0,0|0,0,2]=4 9441 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)O 34a_100015191051_100009814261 [0,1,0,1,0,0|0,0,2]=4 9442 B17R2.192 O=C(CN1CCSCC1)c2ccc(cc2)O 269982a_100000737611_100009814261 [0,1,0,1,0,0|0,0,2]=4 9443 B17R2.192 OC(CN1CC=CCC1)c2ccc(cc2)Cl 2230a_100000698166_200011996143 [0,1,0,1,0,0|1,0,1]=4 9444 B17R2.192 OC(CN1CC=CCC1)c2ccc(cc2)Cl 34a_100000698166_200011996143 [0,1,0,1,0,0|1,0,1]=4 9445 B17R2.192 OC(CN1CCCOC1)c2ccc(cc2)Cl 2230a_100000131196_200011996143 [0,1,0,1,0,0|1,0,0]=3 9446 B17R2.192 OC(CN1CCCOC1)c2ccc(cc2)Cl 34a_100000131196_200011996143 [0,1,0,1,0,0|1,0,0]=3 9447 B17R2.192 OC(CN1CCOCC1)c2ccc(cc2)Cl 2230a_100015191051_200011996143 [0,1,0,1,0,0|1,0,0]=3 9448 B17R2.192 OC(CN1CCOCC1)c2ccc(cc2)Cl 34a_100015191051_200011996143 [0,1,0,1,0,0|1,0,0]=3 9449 B17R2.192 OC(CN1CCSCC1)c2ccc(cc2)Cl 2230a_100000737611_200011996143 [0,1,0,1,0,0|1,0,0]=3 9450 B17R2.192 O[C@@H](CN1CC=CCC1)c2ccc(cc2)F 2230a_100000698166_100000720402 [0,1,0,1,0,0|1,0,1]=4 9451 B17R2.192 O[C@@H](CN1CC=CCC1)c2ccc(cc2)F 34a_100000698166_100000720402 [0,1,0,1,0,0|1,0,1]=4 9452 B17R2.192 O[C@@H](CN1CCCOC1)c2ccc(cc2)F 2230a_100000131196_100000720402 [0,1,0,1,0,0|1,0,0]=3 9453 B17R2.192 O[C@@H](CN1CCCOC1)c2ccc(cc2)F 34a_100000131196_100000720402 [0,1,0,1,0,0|1,0,0]=3 9454 B17R2.192 O[C@@H](CN1CCOCC1)c2ccc(cc2)F 2230a_100015191051_100000720402 [0,1,0,1,0,0|1,0,0]=3 9455 B17R2.192 O[C@@H](CN1CCOCC1)c2ccc(cc2)F 34a_100015191051_100000720402 [0,1,0,1,0,0|1,0,0]=3 9456 B17R2.192 O[C@@H](CN1CCSCC1)c2ccc(cc2)F 2230a_100000737611_100000720402 [0,1,0,1,0,0|1,0,0]=3 9457 B17R2.199 C[C@@H]1CCN(C1)CC(=O)c2ccc(cc2)O 269982a_100016987628_100009814261 [0,1,0,1,0,0|0,0,2]=4 9458 B17R2.199 C[C@@H]1CCN(C1)CC(=O)c2ccc(cc2)O 34a_100016987628_100009814261 [0,1,0,1,0,0|0,0,2]=4 9459 B17R2.199 C[C@@H]1CCN(C1)CC(O)c2ccc(cc2)Cl 2230a_100016987628_200011996143 [0,1,0,1,0,0|1,0,0]=3 9460 B17R2.199 C[C@@H]1CCN(C1)CC(O)c2ccc(cc2)Cl 34a_100016987628_200011996143 [0,1,0,1,0,0|1,0,0]=3 9461 B17R2.199 C[C@@H]1CCN(C1)C[C@H](O)c2ccc(cc2)F 2230a_100016987628_100000720402 [0,1,0,1,0,0|1,0,0]=3 9462 B17R2.199 C[C@@H]1CCN(C1)C[C@H](O)c2ccc(cc2)F 34a_100016987628_100000720402 [0,1,0,1,0,0|1,0,0]=3 9463 B17R2.199 O=C(CN1CCC(C1)O)c2ccc(cc2)O 269982a_100011215560_100009814261 [0,1,0,1,0,0|0,0,2]=4 9464 B17R2.199 O=C(CN1CC[C@@H](C1)F)c2ccc(cc2)O 269982a_100015203821_100009814261 [0,1,0,1,0,0|0,0,2]=4 9465 B17R2.199 O=C(CN1CC[C@@H](C1)F)c2ccc(cc2)O 34a_100015203821_100009814261 [0,1,0,1,0,0|0,0,2]=4 9466 B17R2.199 OC(CN1CC[C@@H](C1)F)c2ccc(cc2)Cl 2230a_100015203821_200011996143 [0,1,0,1,0,0|1,0,0]=3 9467 B17R2.199 OC(CN1CC[C@@H](C1)F)c2ccc(cc2)Cl 34a_100015203821_200011996143 [0,1,0,1,0,0|1,0,0]=3 9468 B17R2.199 OC1CCN(C1)CC(O)c2ccc(cc2)Cl 2230a_100011215560_200011996143 [0,1,0,1,0,0|1,0,0]=3 9469 B17R2.199 OC1CCN(C1)C[C@H](O)c2ccc(cc2)F 2230a_100011215560_100000720402 [0,1,0,1,0,0|1,0,0]=3 9470 B17R2.199 O[C@@H](CN1CC[C@@H](C1)F)c2ccc(cc2)F 2230a_100015203821_100000720402 [0,1,0,1,0,0|1,0,0]=3 9471 B17R2.199 O[C@@H](CN1CC[C@@H](C1)F)c2ccc(cc2)F 34a_100015203821_100000720402 [0,1,0,1,0,0|1,0,0]=3 9472 B17R2.1723 CCC1CN(C1)CC(=O)c2ccc(cc2)O 269982a_100015205115_100009814261 [0,1,0,1,0,0|0,0,2]=4 9473 B17R2.1723 CCC1CN(C1)CC(O)c2ccc(cc2)Cl 2230a_100015205115_200011996143 [0,1,0,1,0,0|1,0,0]=3 9474 B17R2.1723 CCC1CN(C1)C[C@H](O)c2ccc(cc2)F 2230a_100015205115_100000720402 [0,1,0,1,0,0|1,0,0]=3 9475 B17R2.1723 OC(CN1CC(C1)CF)c2ccc(cc2)Cl 34a_100010363649_200011996143 [0,1,0,1,0,0|2,0,0]=4 9476 B17R2.1723 OCC1CN(C1)CC(O)c2ccc(cc2)Cl 34a_100016987283_200011996143 [0,1,0,1,0,0|2,0,0]=4 9477 B17R2.1723 OCC1CN(C1)C[C@H](O)c2ccc(cc2)F 34a_100016987283_100000720402 [0,1,0,1,0,0|2,0,0]=4 9478 B17R2.1723 O[C@@H](CN1CC(C1)CF)c2ccc(cc2)F 34a_100010363649_100000720402 [0,1,0,1,0,0|2,0,0]=4 9479 B17R2.18901 CC1CC1C(=O)CC(O)c2ccc(cc2)Cl 1458a_100000211227_200011996143 [0,1,0,1,0,0|2,0,0]=4 9480 B17R2.18901 CC1CC1C(=O)C[C@H](O)c2ccc(cc2)F 1458a_100000211227_100000720402 [0,1,0,1,0,0|2,0,0]=4 9481 B17R2.56638 CN(CC(=O)c1ccc(cc1)O)CC2CC2 269982a_100000741881_100009814261 [0,1,0,1,0,0|0,0,2]=4 9482 B17R2.56638 CN(CC(O)c1ccc(cc1)O)C[C@@H]2CO2 269982a_100016988945_100000745022 [0,1,0,1,0,0|1,0,0]=3 9483 B17R2.56638 CN(CC1CC1)CC(O)c2ccc(cc2)Cl 2230a_100000741881_200011996143 [0,1,0,1,0,0|1,0,0]=3 9484 B17R2.56638 CN(CC1CC1)CC(O)c2ccc(cc2)O 2230a_100016988945_100000742324 [0,1,0,1,0,0|0,0,0]=2 9485 B17R2.56638 CN(CC1CC1)CC(O)c2ccc(cc2)O 269982a_100016988945_100000756562 [0,1,0,1,0,0|0,0,0]=2 9486 B17R2.56638 CN(CC1CC1)C[C@H](O)c2ccc(cc2)F 2230a_100000741881_100000720402 [0,1,0,1,0,0|1,0,0]=3 9487 B17R2.56638 CN(CC1CO1)CC(O)c2ccc(cc2)O 2230a_100016988945_100011216344 [0,1,0,1,0,0|1,0,0]=3 9488 B17R2.56638 CN(CC1CO1)CC(O)c2ccc(cc2)O 269982a_100016988945_102125554688 [0,1,0,1,0,0|1,0,0]=3 9489 B17R2.56638 CN(CC1CS1)CC(O)c2ccc(cc2)O 269982a_100016988945_100000031435 [0,1,0,1,0,0|1,0,0]=3 9490 B17R2.56638 O=C(CC1CC1)CC(O)c2ccc(cc2)Cl 1458a_100000738066_200011996143 [0,1,0,1,0,0|2,0,0]=4 9491 B17R2.56638 O=C(CC1CC1)C[C@H](O)c2ccc(cc2)F 1458a_100000738066_100000720402 [0,1,0,1,0,0|2,0,0]=4 9492 B17R2.146991 CN(CC(=O)c1ccc(cc1)O)C2CCC2 269982a_100000758072_100009814261 [0,1,0,1,0,0|0,0,2]=4 9493 B17R2.146991 CN(CC(=O)c1ccc(cc1)O)C2CCC2 34a_100000758072_100009814261 [0,1,0,1,0,0|0,0,2]=4 9494 B17R2.146991 CN(CC(O)c1ccc(cc1)Cl)C2CCC2 2230a_100000758072_200011996143 [0,1,0,1,0,0|1,0,0]=3 9495 B17R2.146991 CN(CC(O)c1ccc(cc1)Cl)C2CCC2 34a_100000758072_200011996143 [0,1,0,1,0,0|1,0,0]=3 9496 B17R2.146991 CN(CC(O)c1ccc(cc1)Cl)C2COC2 2230a_100102693430_200011996143 [0,1,0,1,0,0|2,0,0]=4 9497 B17R2.146991 CN(CC(O)c1ccc(cc1)O)C2CCC2 269982a_100016988945_100000749161 [0,1,0,1,0,0|0,0,0]=2 9498 B17R2.146991 CN(CC(O)c1ccc(cc1)O)C2COC2 269982a_100016988945_100000687716 [0,1,0,1,0,0|1,0,0]=3 9499 B17R2.146991 CN(C[C@H](O)c1ccc(cc1)F)C2CCC2 2230a_100000758072_100000720402 [0,1,0,1,0,0|1,0,0]=3 9500 B17R2.146991 CN(C[C@H](O)c1ccc(cc1)F)C2CCC2 34a_100000758072_100000720402 [0,1,0,1,0,0|1,0,0]=3 9501 B17R2.146991 CN(C[C@H](O)c1ccc(cc1)F)C2COC2 2230a_100102693430_100000720402 [0,1,0,1,0,0|2,0,0]=4 9502 B17R2.146991 O=C(CC(O)c1ccc(cc1)Cl)C2CCC2 1458a_100000209988_200011996143 [0,1,0,1,0,0|2,0,0]=4 9503 B17R2.146991 O=C(C[C@H](O)c1ccc(cc1)F)C2CCC2 1458a_100000209988_100000720402 [0,1,0,1,0,0|2,0,0]=4 9504 B17R2.378 CC(CNC1CCC1=O)c2ccc(cc2)O 34a_200015188644_100009892977 [0,1,0,1,0,0|1,0,1]=4 9505 B17R2.378 CC1CCN1CCC(=O)c2ccc(cc2)O 269982a_100000755817_100009879949 [0,1,0,1,0,0|0,0,2]=4 9506 B17R2.378 Cc1ccc(cc1)C(O)CNC2CCC2=O 34a_200020610344_100009892977 [0,1,0,1,0,0|1,0,1]=4 9507 B17R2.378 O=C1CCC1NCC(O)c2ccc(cc2)Br 34a_100020626992_100009892977 [0,1,0,1,0,0|1,0,1]=4 9508 B17R2.378 O=C1CCC1NCC(O)c2ccc(cc2)Cl 34a_100000736658_100009892977 [0,1,0,1,0,0|1,0,1]=4 9509 B17R2.378 O=C1CCC1NCC(O)c2ccc(cc2)O 34a_100000067596_100009892977 [0,1,0,1,0,0|0,0,1]=3 9510 B17R2.382 CC1CC1COCC(O)c2ccc(cc2)Cl 34a_100000744939_200011996143 [0,1,0,1,0,0|2,0,0]=4 9511 B17R2.382 CC1CC1COCC(O)c2ccc(cc2)Cl 7a_100000744939_200011996143 [0,1,0,1,0,0|2,0,0]=4 9512 B17R2.382 CC1CC1COC[C@H](O)c2ccc(cc2)F 34a_100000744939_100000720402 [0,1,0,1,0,0|2,0,0]=4 9513 B17R2.382 CC1CC1COC[C@H](O)c2ccc(cc2)F 7a_100000744939_100000720402 [0,1,0,1,0,0|2,0,0]=4 9514 B17R2.5746 CCCCNC1CC(C1)c2ccc(cc2)Br 270004a_100000102301_100000741321 [0,1,0,1,0,0|2,0,0]=4 9515 B17R2.5746 CCCCNC1CC(C1)c2ccc(cc2)Cl 270004a_100000102301_100000741320 [0,1,0,1,0,0|2,0,0]=4 9516 B17R2.56628 CC(CNCCC1CC1)c2ccc(cc2)O 34a_200015188644_100000694398 [0,1,0,1,0,0|1,0,0]=3 9517 B17R2.56628 CC(CNCCC1CO1)c2ccc(cc2)O 34a_200015188644_100000732470 [0,1,0,1,0,0|1,0,0]=3 9518 B17R2.56628 Cc1ccc(cc1)C(O)CNCCC2CC2 2230a_200020610344_100000694398 [0,1,0,1,0,0|1,0,0]=3 9519 B17R2.56628 Cc1ccc(cc1)C(O)CNCCC2CC2 34a_200020610344_100000694398 [0,1,0,1,0,0|1,0,0]=3 9520 B17R2.56628 Cc1ccc(cc1)C(O)CNCCC2CO2 2230a_200020610344_100000732470 [0,1,0,1,0,0|1,0,0]=3 9521 B17R2.56628 Cc1ccc(cc1)C(O)CNCCC2CO2 34a_200020610344_100000732470 [0,1,0,1,0,0|1,0,0]=3 9522 B17R2.56628 O=C(CCNCC1CC1)c2ccc(cc2)O 2230a_100000735609_100009879949 [0,1,0,1,0,0|0,0,2]=4 9523 B17R2.56628 O=C(CNCCC1CC1)c2ccc(cc2)O 34a_100000764129_100009814261 [0,1,0,1,0,0|0,0,2]=4 9524 B17R2.56628 OC(CNCCC1CC1)c2ccc(cc2)Br 2230a_100020626992_100000694398 [0,1,0,1,0,0|1,0,0]=3 9525 B17R2.56628 OC(CNCCC1CC1)c2ccc(cc2)Br 34a_100020626992_100000694398 [0,1,0,1,0,0|1,0,0]=3 9526 B17R2.56628 OC(CNCCC1CC1)c2ccc(cc2)Cl 2230a_100000736658_100000694398 [0,1,0,1,0,0|1,0,0]=3 9527 B17R2.56628 OC(CNCCC1CC1)c2ccc(cc2)Cl 34a_100000736658_100000694398 [0,1,0,1,0,0|1,0,0]=3 9528 B17R2.56628 OC(CNCCC1CC1)c2ccc(cc2)Cl 34a_100000764129_200011996143 [0,1,0,1,0,0|1,0,0]=3 9529 B17R2.56628 OC(CNCCC1CO1)c2ccc(cc2)Br 2230a_100020626992_100000732470 [0,1,0,1,0,0|1,0,0]=3 9530 B17R2.56628 OC(CNCCC1CO1)c2ccc(cc2)Br 34a_100020626992_100000732470 [0,1,0,1,0,0|1,0,0]=3 9531 B17R2.56628 OC(CNCCC1CO1)c2ccc(cc2)Cl 2230a_100000736658_100000732470 [0,1,0,1,0,0|1,0,0]=3 9532 B17R2.56628 OC(CNCCC1CO1)c2ccc(cc2)Cl 34a_100000736658_100000732470 [0,1,0,1,0,0|1,0,0]=3 9533 B17R2.56628 OC(COCCC1CC1)c2ccc(cc2)Cl 34a_100000754188_200011996143 [0,1,0,1,0,0|2,0,0]=4 9534 B17R2.56628 OC(COCCC1CC1)c2ccc(cc2)Cl 7a_100000754188_200011996143 [0,1,0,1,0,0|2,0,0]=4 9535 B17R2.56628 OC(COCC[C@@H]1CO1)c2ccc(cc2)Cl 34a_100009820653_200011996143 [0,1,0,1,0,0|2,0,0]=4 9536 B17R2.56628 OC(CSCCC1CC1)c2ccc(cc2)Cl 62a_100000764125_200011996143 [0,1,0,1,0,0|2,0,0]=4 9537 B17R2.56628 OC(CSCCC1CC1)c2ccc(cc2)Cl 62a_200011996143_100000764125 [0,1,0,1,0,0|2,0,0]=4 9538 B17R2.56628 OC(CSCCC1CO1)c2ccc(cc2)Cl 62a_100000732470_200011996143 [0,1,0,1,0,0|2,0,0]=4 9539 B17R2.56628 OC(CSCCC1CO1)c2ccc(cc2)Cl 62a_200011996143_100000732470 [0,1,0,1,0,0|2,0,0]=4 9540 B17R2.56628 O[C@@H](CNCCC1CC1)c2ccc(cc2)F 34a_100000764129_100000720402 [0,1,0,1,0,0|1,0,0]=3 9541 B17R2.56628 O[C@@H](COCCC1CC1)c2ccc(cc2)F 34a_100000754188_100000720402 [0,1,0,1,0,0|2,0,0]=4 9542 B17R2.56628 O[C@@H](COCCC1CC1)c2ccc(cc2)F 7a_100000754188_100000720402 [0,1,0,1,0,0|2,0,0]=4 9543 B17R2.56628 O[C@@H](COCC[C@@H]1CO1)c2ccc(cc2)F 34a_100009820653_100000720402 [0,1,0,1,0,0|2,0,0]=4 9544 B17R2.56628 O[C@@H](CSCCC1CC1)c2ccc(cc2)F 62a_100000720402_100000764125 [0,1,0,1,0,0|2,0,0]=4 9545 B17R2.56628 O[C@@H](CSCCC1CC1)c2ccc(cc2)F 62a_100000764125_100000720402 [0,1,0,1,0,0|2,0,0]=4 9546 B17R2.56628 O[C@@H](CSCCC1CO1)c2ccc(cc2)F 62a_100000720402_100000732470 [0,1,0,1,0,0|2,0,0]=4 9547 B17R2.56628 O[C@@H](CSCCC1CO1)c2ccc(cc2)F 62a_100000732470_100000720402 [0,1,0,1,0,0|2,0,0]=4 9548 B17R2.56628 Oc1ccc(cc1)C(O)CNCCC2CC2 34a_100000067596_100000694398 [0,1,0,1,0,0|0,0,0]=2 9549 B17R2.56628 Oc1ccc(cc1)C(O)CNCCC2CO2 34a_100000067596_100000732470 [0,1,0,1,0,0|0,0,0]=2 9550 B17R2.56639 CC(CNCC1CCC1)c2ccc(cc2)O 269862a_200015188644_100000753134 [0,1,0,1,0,0|1,0,0]=3 9551 B17R2.56639 CC(CNCC1CCC1)c2ccc(cc2)O 34a_200015188644_100000763275 [0,1,0,1,0,0|1,0,0]=3 9552 B17R2.56639 CC(CNCC1CCO1)c2ccc(cc2)O 34a_200015188644_100000103362 [0,1,0,1,0,0|1,0,0]=3 9553 B17R2.56639 CC(CNCC1COC1)c2ccc(cc2)O 34a_200015188644_100010264016 [0,1,0,1,0,0|1,0,0]=3 9554 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2CCC2 2230a_200020610344_100000763275 [0,1,0,1,0,0|1,0,0]=3 9555 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2CCC2 269862a_200020610344_100000753134 [0,1,0,1,0,0|1,0,0]=3 9556 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2CCC2 34a_200020610344_100000763275 [0,1,0,1,0,0|1,0,0]=3 9557 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2CCO2 2230a_200020610344_100000103362 [0,1,0,1,0,0|1,0,0]=3 9558 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2CCO2 34a_200020610344_100000103362 [0,1,0,1,0,0|1,0,0]=3 9559 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2COC2 2230a_200020610344_100010264016 [0,1,0,1,0,0|1,0,0]=3 9560 B17R2.56639 Cc1ccc(cc1)C(O)CNCC2COC2 34a_200020610344_100010264016 [0,1,0,1,0,0|1,0,0]=3 9561 B17R2.56639 O=C(CCNC1CCC1)c2ccc(cc2)O 2230a_100000749019_100009879949 [0,1,0,1,0,0|0,0,2]=4 9562 B17R2.56639 O=C(CNCC1CCC1)c2ccc(cc2)O 34a_100000738700_100009814261 [0,1,0,1,0,0|0,0,2]=4 9563 B17R2.56639 O=C(CNCC1COC1)c2ccc(cc2)O 34a_100015281925_100009814261 [0,1,0,1,0,0|0,0,2]=4 9564 B17R2.56639 O=C(CNC[C@@H]1CCO1)c2ccc(cc2)O 34a_100020831831_100009814261 [0,1,0,1,0,0|0,0,2]=4 9565 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Br 2230a_100020626992_100000763275 [0,1,0,1,0,0|1,0,0]=3 9566 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Br 269862a_100020626992_100000753134 [0,1,0,1,0,0|1,0,0]=3 9567 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Br 34a_100020626992_100000763275 [0,1,0,1,0,0|1,0,0]=3 9568 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Cl 2230a_100000736658_100000763275 [0,1,0,1,0,0|1,0,0]=3 9569 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Cl 2230a_100000738700_200011996143 [0,1,0,1,0,0|1,0,0]=3 9570 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Cl 269862a_100000736658_100000753134 [0,1,0,1,0,0|1,0,0]=3 9571 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Cl 34a_100000736658_100000763275 [0,1,0,1,0,0|1,0,0]=3 9572 B17R2.56639 OC(CNCC1CCC1)c2ccc(cc2)Cl 34a_100000738700_200011996143 [0,1,0,1,0,0|1,0,0]=3 9573 B17R2.56639 OC(CNCC1CCO1)c2ccc(cc2)Br 2230a_100020626992_100000103362 [0,1,0,1,0,0|1,0,0]=3 9574 B17R2.56639 OC(CNCC1CCO1)c2ccc(cc2)Br 34a_100020626992_100000103362 [0,1,0,1,0,0|1,0,0]=3 9575 B17R2.56639 OC(CNCC1CCO1)c2ccc(cc2)Cl 2230a_100000736658_100000103362 [0,1,0,1,0,0|1,0,0]=3 9576 B17R2.56639 OC(CNCC1CCO1)c2ccc(cc2)Cl 34a_100000736658_100000103362 [0,1,0,1,0,0|1,0,0]=3 9577 B17R2.56639 OC(CNCC1COC1)c2ccc(cc2)Br 2230a_100020626992_100010264016 [0,1,0,1,0,0|1,0,0]=3 9578 B17R2.56639 OC(CNCC1COC1)c2ccc(cc2)Br 34a_100020626992_100010264016 [0,1,0,1,0,0|1,0,0]=3 9579 B17R2.56639 OC(CNCC1COC1)c2ccc(cc2)Cl 2230a_100000736658_100010264016 [0,1,0,1,0,0|1,0,0]=3 9580 B17R2.56639 OC(CNCC1COC1)c2ccc(cc2)Cl 2230a_100015281925_200011996143 [0,1,0,1,0,0|1,0,0]=3 9581 B17R2.56639 OC(CNCC1COC1)c2ccc(cc2)Cl 34a_100000736658_100010264016 [0,1,0,1,0,0|1,0,0]=3 9582 B17R2.56639 OC(CNCC1COC1)c2ccc(cc2)Cl 34a_100015281925_200011996143 [0,1,0,1,0,0|1,0,0]=3 9583 B17R2.56639 OC(CNC[C@@H]1CCO1)c2ccc(cc2)Cl 2230a_100020831831_200011996143 [0,1,0,1,0,0|1,0,0]=3 9584 B17R2.56639 OC(CNC[C@@H]1CCO1)c2ccc(cc2)Cl 34a_100020831831_200011996143 [0,1,0,1,0,0|1,0,0]=3 9585 B17R2.56639 OC(COCC1CCC1)c2ccc(cc2)Cl 34a_100000760304_200011996143 [0,1,0,1,0,0|2,0,0]=4 9586 B17R2.56639 OC(COCC1CCO1)c2ccc(cc2)Cl 34a_100000039022_200011996143 [0,1,0,1,0,0|2,0,0]=4 9587 B17R2.56639 OC(COCC1CNC1)c2ccc(cc2)Cl 34a_100016987283_200011996143 [0,1,0,1,0,0|2,0,0]=4 9588 B17R2.56639 OC(COCC1COC1)c2ccc(cc2)Cl 34a_100000060846_200011996143 [0,1,0,1,0,0|2,0,0]=4 9589 B17R2.56639 OC(CSCC1CCC1)c2ccc(cc2)Cl 62a_100000763275_200011996143 [0,1,0,1,0,0|2,0,0]=4 9590 B17R2.56639 OC(CSCC1CCC1)c2ccc(cc2)Cl 62a_200011996143_100000763275 [0,1,0,1,0,0|2,0,0]=4 9591 B17R2.56639 OC(CSCC1CCO1)c2ccc(cc2)Cl 62a_100000103362_200011996143 [0,1,0,1,0,0|2,0,0]=4 9592 B17R2.56639 OC(CSCC1CCO1)c2ccc(cc2)Cl 62a_200011996143_100000103362 [0,1,0,1,0,0|2,0,0]=4 9593 B17R2.56639 OC(CSCC1COC1)c2ccc(cc2)Cl 62a_100010264016_200011996143 [0,1,0,1,0,0|2,0,0]=4 9594 B17R2.56639 OC(CSCC1COC1)c2ccc(cc2)Cl 62a_200011996143_100010264016 [0,1,0,1,0,0|2,0,0]=4 9595 B17R2.56639 O[C@@H](CNCC1CCC1)c2ccc(cc2)F 2230a_100000738700_100000720402 [0,1,0,1,0,0|1,0,0]=3 9596 B17R2.56639 O[C@@H](CNCC1CCC1)c2ccc(cc2)F 34a_100000738700_100000720402 [0,1,0,1,0,0|1,0,0]=3 9597 B17R2.56639 O[C@@H](CNCC1COC1)c2ccc(cc2)F 2230a_100015281925_100000720402 [0,1,0,1,0,0|1,0,0]=3 9598 B17R2.56639 O[C@@H](CNCC1COC1)c2ccc(cc2)F 34a_100015281925_100000720402 [0,1,0,1,0,0|1,0,0]=3 9599 B17R2.56639 O[C@@H](CNC[C@@H]1CCO1)c2ccc(cc2)F 2230a_100020831831_100000720402 [0,1,0,1,0,0|1,0,0]=3 9600 B17R2.56639 O[C@@H](CNC[C@@H]1CCO1)c2ccc(cc2)F 34a_100020831831_100000720402 [0,1,0,1,0,0|1,0,0]=3 9601 B17R2.56639 O[C@@H](COCC1CCC1)c2ccc(cc2)F 34a_100000760304_100000720402 [0,1,0,1,0,0|2,0,0]=4 9602 B17R2.56639 O[C@@H](COCC1CCO1)c2ccc(cc2)F 34a_100000039022_100000720402 [0,1,0,1,0,0|2,0,0]=4 9603 B17R2.56639 O[C@@H](COCC1CNC1)c2ccc(cc2)F 34a_100016987283_100000720402 [0,1,0,1,0,0|2,0,0]=4 9604 B17R2.56639 O[C@@H](COCC1COC1)c2ccc(cc2)F 34a_100000060846_100000720402 [0,1,0,1,0,0|2,0,0]=4 9605 B17R2.56639 O[C@@H](CSCC1CCC1)c2ccc(cc2)F 62a_100000720402_100000763275 [0,1,0,1,0,0|2,0,0]=4 9606 B17R2.56639 O[C@@H](CSCC1CCC1)c2ccc(cc2)F 62a_100000763275_100000720402 [0,1,0,1,0,0|2,0,0]=4 9607 B17R2.56639 O[C@@H](CSCC1CCO1)c2ccc(cc2)F 62a_100000103362_100000720402 [0,1,0,1,0,0|2,0,0]=4 9608 B17R2.56639 O[C@@H](CSCC1CCO1)c2ccc(cc2)F 62a_100000720402_100000103362 [0,1,0,1,0,0|2,0,0]=4 9609 B17R2.56639 O[C@@H](CSCC1COC1)c2ccc(cc2)F 62a_100000720402_100010264016 [0,1,0,1,0,0|2,0,0]=4 9610 B17R2.56639 O[C@@H](CSCC1COC1)c2ccc(cc2)F 62a_100010264016_100000720402 [0,1,0,1,0,0|2,0,0]=4 9611 B17R2.56639 Oc1ccc(cc1)C(O)CNCC2CCC2 34a_100000067596_100000763275 [0,1,0,1,0,0|0,0,0]=2 9612 B17R2.56639 Oc1ccc(cc1)C(O)CNCC2CCO2 34a_100000067596_100000103362 [0,1,0,1,0,0|0,0,0]=2 9613 B17R2.56639 Oc1ccc(cc1)C(O)CNCC2COC2 34a_100000067596_100010264016 [0,1,0,1,0,0|0,0,0]=2 9614 B17R2.443 CC(C)(CN1CCCC1)c2ccc(cc2)Br 270004a_100000188435_100010228009 [0,1,0,1,0,0|2,0,0]=4 9615 B17R2.443 FC(F)(CN1CCCC1)c2ccc(cc2)Br 269982a_100000188435_100010185546 [0,1,0,1,0,0|2,0,0]=4 9616 B17R2.446 CC1CCN1CC(F)(F)c2ccc(cc2)Br 269982a_100000755817_100010185546 [0,1,0,1,0,0|2,0,0]=4 9617 B17R2.446 CC1CCN1CC(F)(F)c2ccc(cc2)Br 34a_100000755817_100010185546 [0,1,0,1,0,0|2,0,0]=4 9618 B17R2.56862 CC(C)(CNCC1CC1)c2ccc(cc2)Br 270004a_100000735609_100010228009 [0,1,0,1,0,0|2,0,0]=4 9619 B17R2.56862 CC(C)(CNCC1CC1)c2ccc(cc2)Cl 2230a_100000742012_100000742324 [0,1,0,1,0,0|2,0,0]=4 9620 B17R2.56862 CC(C)(CNCC1CC1)c2ccc(cc2)Cl 269862a_100000742012_100000741477 [0,1,0,1,0,0|2,0,0]=4 9621 B17R2.56862 FC(F)(CNCC1CC1)c2ccc(cc2)Br 34a_100000735609_100010185546 [0,1,0,1,0,0|2,0,0]=4 9622 B17R2.56863 CC(C)(CNC1CCC1)c2ccc(cc2)Cl 270004a_100000742012_100000241760 [0,1,0,1,0,0|2,0,0]=4 9623 B17R2.56863 FC(F)(CNC1CCC1)c2ccc(cc2)Br 34a_100000749019_100010185546 [0,1,0,1,0,0|2,0,0]=4 9624 B17R2.18905 CC(C)CCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210312 [0,1,0,1,0,0|2,0,0]=4 9625 B17R2.18905 CC(C)CCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210312 [0,1,0,1,0,0|2,0,0]=4 9626 B17R2.18905 CC(C)CCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210312 [0,1,0,1,0,0|2,0,0]=4 9627 B17R2.18905 CC(C)CCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210312 [0,1,0,1,0,0|2,0,0]=4 9628 B17R2.18905 CC(O)CCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100012276601 [0,1,0,1,0,0|2,0,0]=4 9629 B17R2.18905 CC(O)CCNC1CC1c2ccc(cc2)Br 34a_100000755575_100012276601 [0,1,0,1,0,0|2,0,0]=4 9630 B17R2.18905 CC(O)CCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100012276601 [0,1,0,1,0,0|2,0,0]=4 9631 B17R2.18905 CC(O)CCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100012276601 [0,1,0,1,0,0|2,0,0]=4 9632 B17R2.56627 OC(CNC1CC1(F)F)c2ccc(cc2)Cl 2230a_100020610826_200011996143 [0,1,0,1,0,0|2,0,0]=4 9633 B17R2.56627 OC(CNC1CC1(F)F)c2ccc(cc2)Cl 34a_100020610826_200011996143 [0,1,0,1,0,0|2,0,0]=4 9634 B17R2.56627 O[C@@H](CNC1CC1(F)F)c2ccc(cc2)F 2230a_100020610826_100000720402 [0,1,0,1,0,0|2,0,0]=4 9635 B17R2.56627 O[C@@H](CNC1CC1(F)F)c2ccc(cc2)F 34a_100020610826_100000720402 [0,1,0,1,0,0|2,0,0]=4 9636 B17R2.534 CCC(C)CNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000748023 [0,1,0,1,0,0|2,0,0]=4 9637 B17R2.534 CCC(C)CNC1CC1c2ccc(cc2)Br 34a_100000755575_100000748023 [0,1,0,1,0,0|2,0,0]=4 9638 B17R2.534 CCC(C)CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000748023 [0,1,0,1,0,0|2,0,0]=4 9639 B17R2.534 CCC(C)CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000748023 [0,1,0,1,0,0|2,0,0]=4 9640 B17R2.534 CCC(O)CNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011218378 [0,1,0,1,0,0|2,0,0]=4 9641 B17R2.534 CCC(O)CNC1CC1c2ccc(cc2)Br 34a_100000755575_100011218378 [0,1,0,1,0,0|2,0,0]=4 9642 B17R2.534 CCC(O)CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011218378 [0,1,0,1,0,0|2,0,0]=4 9643 B17R2.534 CCC(O)CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011218378 [0,1,0,1,0,0|2,0,0]=4 9644 B17R2.534 CC[C@H](C)CNC1CC1c2ccc(cc2)Br 2230a_100000755575_100009816398 [0,1,0,1,0,0|2,0,0]=4 9645 B17R2.534 CC[C@H](C)CNC1CC1c2ccc(cc2)Br 34a_100000755575_100009816398 [0,1,0,1,0,0|2,0,0]=4 9646 B17R2.534 CC[C@H](C)CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100009816398 [0,1,0,1,0,0|2,0,0]=4 9647 B17R2.534 CC[C@H](C)CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100009816398 [0,1,0,1,0,0|2,0,0]=4 9648 B17R2.18948 CC(CNCC1(CO1)C)c2ccc(cc2)O 34a_200015188644_100000760498 [0,1,0,1,0,0|2,0,0]=4 9649 B17R2.18948 CC1(CC1)CNCC(O)c2ccc(cc2)Cl 2230a_100000766693_200011996143 [0,1,0,1,0,0|1,0,0]=3 9650 B17R2.18948 CC1(CC1)CNC[C@H](O)c2ccc(cc2)F 2230a_100000766693_100000720402 [0,1,0,1,0,0|1,0,0]=3 9651 B17R2.18948 CC1(CC1)COCC(O)c2ccc(cc2)Cl 7a_100000698024_200011996143 [0,1,0,1,0,0|2,0,0]=4 9652 B17R2.18948 CC1(CC1)COC[C@H](O)c2ccc(cc2)F 7a_100000698024_100000720402 [0,1,0,1,0,0|2,0,0]=4 9653 B17R2.18948 CC1(CO1)CNCC(O)c2ccc(cc2)Br 34a_100020626992_100000760498 [0,1,0,1,0,0|2,0,0]=4 9654 B17R2.18948 CC1(CO1)CNCC(O)c2ccc(cc2)Cl 34a_100000736658_100000760498 [0,1,0,1,0,0|2,0,0]=4 9655 B17R2.18948 CC1(CO1)CNCC(O)c2ccc(cc2)O 34a_100000067596_100000760498 [0,1,0,1,0,0|1,0,0]=3 9656 B17R2.18948 Cc1ccc(cc1)C(O)CNCC2(CO2)C 34a_200020610344_100000760498 [0,1,0,1,0,0|2,0,0]=4 9657 B17R2.18948 OC(CNCC1(CC1)O)c2ccc(cc2)Cl 2230a_100011936951_200011996143 [0,1,0,1,0,0|1,0,0]=3 9658 B17R2.18948 OC(COCC1(CC1)F)c2ccc(cc2)Cl 34a_200000703853_200011996143 [0,1,0,1,0,0|2,0,0]=4 9659 B17R2.18948 OC(COCC1(CC1)F)c2ccc(cc2)Cl 7a_200000703853_200011996143 [0,1,0,1,0,0|2,0,0]=4 9660 B17R2.18948 O[C@@H](CNCC1(CC1)O)c2ccc(cc2)F 2230a_100011936951_100000720402 [0,1,0,1,0,0|1,0,0]=3 9661 B17R2.18948 O[C@@H](COCC1(CC1)F)c2ccc(cc2)F 34a_200000703853_100000720402 [0,1,0,1,0,0|2,0,0]=4 9662 B17R2.18948 O[C@@H](COCC1(CC1)F)c2ccc(cc2)F 7a_200000703853_100000720402 [0,1,0,1,0,0|2,0,0]=4 9663 B17R2.56733 C[C@H]1[C@H](CN1CC(=O)c2ccc(cc2)O)O 269982a_206633788156_100009814261 [0,1,0,1,0,0|0,0,2]=4 9664 B17R2.56733 C[C@H]1[C@H](CN1CC(O)c2ccc(cc2)Cl)O 2230a_206633788156_200011996143 [0,1,0,1,0,0|1,0,0]=3 9665 B17R2.56733 C[C@H]1[C@H](CN1C[C@H](O)c2ccc(cc2)F)O 2230a_206633788156_100000720402 [0,1,0,1,0,0|1,0,0]=3 9666 B17R2.56 COc1ccc(cc1)C(=O)CN2CCCC2 2230a_100000188435_100000212054 [0,1,0,1,0,0|0,0,2]=4 9667 B17R2.56 COc1ccc(cc1)C(=O)CN2CCCC2 269982a_100000188435_100000212054 [0,1,0,1,0,0|0,0,2]=4 9668 B17R2.3667 COc1ccc(cc1)C(=O)CN2CCC2C 269982a_100000755817_100000212054 [0,1,0,1,0,0|0,0,2]=4 9669 B17R2.9248 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)OC 2230a_100102558531_100000210211 [0,1,0,1,0,0|1,0,0]=3 9670 B17R2.9248 CCCCN[C@@H]1C[C@H]1c2ccc(cc2)OC 34a_100102558531_100000210210 [0,1,0,1,0,0|1,0,0]=3 9671 B17R2.9248 COCCN[C@@H]1C[C@H]1c2ccc(cc2)OC 2230a_100102558531_100011201679 [0,1,0,1,0,0|2,0,0]=4 9672 B17R2.9248 COCCN[C@@H]1C[C@H]1c2ccc(cc2)OC 34a_100102558531_100011201679 [0,1,0,1,0,0|2,0,0]=4 9673 B17R2.9248 COc1ccc(cc1)[C@@H]2C[C@H]2NCCCF 2230a_100102558531_100011934791 [0,1,0,1,0,0|2,0,0]=4 9674 B17R2.9248 COc1ccc(cc1)[C@@H]2C[C@H]2NCCCF 34a_100102558531_100011934791 [0,1,0,1,0,0|2,0,0]=4 9675 B17R2.9248 COc1ccc(cc1)[C@@H]2C[C@H]2NCCCO 2230a_100102558531_100000230001 [0,1,0,1,0,0|2,0,0]=4 9676 B17R2.9248 COc1ccc(cc1)[C@@H]2C[C@H]2NCCCO 34a_100102558531_100000230001 [0,1,0,1,0,0|2,0,0]=4 9677 B17R2.9248 COc1ccc(cc1)[C@@H]2C[C@H]2NCCSC 2230a_100102558531_100000751147 [0,1,0,1,0,0|2,0,0]=4 9678 B17R2.9248 COc1ccc(cc1)[C@@H]2C[C@H]2NCCSC 34a_100102558531_100000212216 [0,1,0,1,0,0|2,0,0]=4 9679 B17R2.22203 COc1ccc(cc1)C(=O)CNCC2CC2 2230a_100000735609_100000212054 [0,1,0,1,0,0|0,0,2]=4 9680 B17R2.22203 COc1ccc(cc1)C(N)COCC2CC2 34a_100000751956_100000742324 [0,1,0,1,0,0|2,0,0]=4 9681 B17R2.22203 COc1ccc(cc1)C(O)CNCC2CC2 2230a_100000738651_100000742324 [0,1,0,1,0,0|0,0,0]=2 9682 B17R2.22203 COc1ccc(cc1)C(O)CNCC2CC2 269862a_100000738651_100000741477 [0,1,0,1,0,0|0,0,0]=2 9683 B17R2.22203 COc1ccc(cc1)C(O)CNCC2CC2 34a_100000738651_100000742324 [0,1,0,1,0,0|0,0,0]=2 9684 B17R2.22203 COc1ccc(cc1)C(O)CNCC2CO2 2230a_100000738651_100011216344 [0,1,0,1,0,0|1,0,0]=3 9685 B17R2.22203 COc1ccc(cc1)C(O)CNCC2CO2 34a_100000738651_102125554688 [0,1,0,1,0,0|1,0,0]=3 9686 B17R2.22211 COc1ccc(cc1)C(=O)CNC2CCC2 2230a_100000749019_100000212054 [0,1,0,1,0,0|0,0,2]=4 9687 B17R2.22211 COc1ccc(cc1)C(N)COC2CCC2 34a_100000751956_100000749161 [0,1,0,1,0,0|2,0,0]=4 9688 B17R2.22211 COc1ccc(cc1)C(O)CNC2CCC2 270004a_100000738651_100000241760 [0,1,0,1,0,0|0,0,0]=2 9689 B17R2.22211 COc1ccc(cc1)C(O)CNC2CCC2 34a_100000738651_100000749161 [0,1,0,1,0,0|0,0,0]=2 9690 B17R2.22211 COc1ccc(cc1)C(O)CNC2COC2 34a_100000738651_100009818527 [0,1,0,1,0,0|1,0,0]=3 9691 B17R2.335 O=C(CN1CCCC1)c2ccc(c(c2)Cl)O 269982a_100000188435_200010170092 [0,1,0,1,0,0|0,0,2]=4 9692 B17R2.335 O=C(CN1CCCC1)c2ccc(c(c2)O)O 269982a_100000188435_100000183813 [0,1,0,1,0,0|0,0,2]=4 9693 B17R2.335 O[C@H](CN1CCCC1)c2ccc(c(c2)F)F 2230a_100000188435_100000761251 [0,1,0,1,0,0|1,0,0]=3 9694 B17R2.335 O[C@H](CN1CCCC1)c2ccc(c(c2)F)F 269982a_100000188435_100000761251 [0,1,0,1,0,0|1,0,0]=3 9695 B17R2.335 O[C@H](CN1CCSC1)c2ccc(c(c2)F)F 2230a_100011215254_100000761251 [0,1,0,1,0,0|2,0,0]=4 9696 B17R2.335 O[C@H](CN1CCSC1)c2ccc(c(c2)F)F 269982a_100011215254_100000761251 [0,1,0,1,0,0|2,0,0]=4 9697 B17R2.505 O[C@H](CN[C@@H]1C[C@@H]1F)c2ccc(c(c2)F)F 2230a_100015190264_100000761251 [0,1,0,1,0,0|2,0,0]=4 9698 B17R2.505 O[C@H](CN[C@@H]1C[C@H]1F)c2ccc(c(c2)F)F 2230a_100025746932_100000761251 [0,1,0,1,0,0|2,0,0]=4 9699 B17R2.505 O[C@H](CN[C@@H]1C[C@H]1F)c2ccc(c(c2)F)F 34a_100025746932_100000761251 [0,1,0,1,0,0|2,0,0]=4 9700 B17R2.506 CC1CCN1CC(=O)c2ccc(c(c2)Cl)O 269982a_100000755817_200010170092 [0,1,0,1,0,0|0,0,2]=4 9701 B17R2.506 CC1CCN1CC(=O)c2ccc(c(c2)O)O 269982a_100000755817_100000183813 [0,1,0,1,0,0|0,0,2]=4 9702 B17R2.506 CC1CCN1C[C@@H](O)c2ccc(c(c2)F)F 269982a_100000755817_100000761251 [0,1,0,1,0,0|1,0,0]=3 9703 B17R2.506 CC1CCN1C[C@@H](O)c2ccc(c(c2)F)F 34a_100000755817_100000761251 [0,1,0,1,0,0|1,0,0]=3 9704 B17R2.9258 CCCCN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_100000210211 [0,1,0,1,0,0|2,0,0]=4 9705 B17R2.9258 CCCCN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_100000210210 [0,1,0,1,0,0|2,0,0]=4 9706 B17R2.57150 O[C@H](CNCC1CC1)c2ccc(c(c2)F)F 2230a_100000735609_100000761251 [0,1,0,1,0,0|1,0,0]=3 9707 B17R2.57150 O[C@H](CNCC1CC1)c2ccc(c(c2)F)F 34a_100000735609_100000761251 [0,1,0,1,0,0|1,0,0]=3 9708 B17R2.57150 O[C@H](COCC1CC1)c2ccc(c(c2)F)F 34a_100000211283_100000761251 [0,1,0,1,0,0|2,0,0]=4 9709 B17R2.57150 O[C@H](CSCC1CC1)c2ccc(c(c2)F)F 62a_100000756562_100000761251 [0,1,0,1,0,0|2,0,0]=4 9710 B17R2.57150 O[C@H](CSCC1CC1)c2ccc(c(c2)F)F 62a_100000761251_100000742324 [0,1,0,1,0,0|2,0,0]=4 9711 B17R2.57150 Oc1ccc(cc1O)C(O)CNCC2CC2 34a_100000106456_100000742324 [0,1,0,1,0,0|0,0,0]=2 9712 B17R2.57150 Oc1ccc(cc1O)C(O)CNCC2CO2 34a_100000106456_102125554688 [0,1,0,1,0,0|1,0,0]=3 9713 B17R2.57151 O[C@H](CNC1CCC1)c2ccc(c(c2)F)F 2230a_100000749019_100000761251 [0,1,0,1,0,0|1,0,0]=3 9714 B17R2.57151 O[C@H](CNC1CCC1)c2ccc(c(c2)F)F 34a_100000749019_100000761251 [0,1,0,1,0,0|1,0,0]=3 9715 B17R2.57151 O[C@H](CNC1COC1)c2ccc(c(c2)F)F 2230a_100016991112_100000761251 [0,1,0,1,0,0|2,0,0]=4 9716 B17R2.57151 O[C@H](COC1CCC1)c2ccc(c(c2)F)F 34a_100000748187_100000761251 [0,1,0,1,0,0|2,0,0]=4 9717 B17R2.57151 O[C@H](CSC1CCC1)c2ccc(c(c2)F)F 62a_100000761251_100000749161 [0,1,0,1,0,0|2,0,0]=4 9718 B17R2.57151 Oc1ccc(cc1O)C(O)CNC2CCC2 34a_100000106456_100000749161 [0,1,0,1,0,0|0,0,0]=2 9719 B17R2.57151 Oc1ccc(cc1O)C(O)CNC2COC2 34a_100000106456_100009818527 [0,1,0,1,0,0|1,0,0]=3 9720 B17R2.3478 O=C(CN1CCCC1)c2ccc(cc2O)O 269982a_100000188435_100009814262 [0,1,0,1,0,0|0,0,2]=4 9721 B17R2.3478 O[C@@H](CN1CCCC1)c2ccc(cc2Cl)Cl 2230a_100000188435_100000761231 [0,1,0,1,0,0|1,0,0]=3 9722 B17R2.3478 O[C@@H](CN1CCCC1)c2ccc(cc2Cl)Cl 269982a_100000188435_100000761231 [0,1,0,1,0,0|1,0,0]=3 9723 B17R2.3478 O[C@@H](CN1CCSC1)c2ccc(cc2Cl)Cl 2230a_100011215254_100000761231 [0,1,0,1,0,0|2,0,0]=4 9724 B17R2.3478 O[C@@H](CN1CCSC1)c2ccc(cc2Cl)Cl 269982a_100011215254_100000761231 [0,1,0,1,0,0|2,0,0]=4 9725 B17R2.3478 O[C@H](CN1CCCC1)c2ccc(cc2F)F 2230a_100000188435_100000761269 [0,1,0,1,0,0|1,0,0]=3 9726 B17R2.3478 O[C@H](CN1CCCC1)c2ccc(cc2F)F 269982a_100000188435_100000761269 [0,1,0,1,0,0|1,0,0]=3 9727 B17R2.3478 O[C@H](CN1CCSC1)c2ccc(cc2F)F 2230a_100011215254_100000761269 [0,1,0,1,0,0|2,0,0]=4 9728 B17R2.3478 O[C@H](CN1CCSC1)c2ccc(cc2F)F 269982a_100011215254_100000761269 [0,1,0,1,0,0|2,0,0]=4 9729 B17R2.20860 CC1CCN1CC(=O)c2ccc(cc2O)O 269982a_100000755817_100009814262 [0,1,0,1,0,0|0,0,2]=4 9730 B17R2.20860 CC1CCN1CC(=O)c2ccc(cc2O)O 34a_100000755817_100009814262 [0,1,0,1,0,0|0,0,2]=4 9731 B17R2.20860 CC1CCN1C[C@@H](O)c2ccc(cc2F)F 269982a_100000755817_100000761269 [0,1,0,1,0,0|1,0,0]=3 9732 B17R2.20860 CC1CCN1C[C@@H](O)c2ccc(cc2F)F 34a_100000755817_100000761269 [0,1,0,1,0,0|1,0,0]=3 9733 B17R2.20860 CC1CCN1C[C@H](O)c2ccc(cc2Cl)Cl 269982a_100000755817_100000761231 [0,1,0,1,0,0|1,0,0]=3 9734 B17R2.20860 CC1CCN1C[C@H](O)c2ccc(cc2Cl)Cl 34a_100000755817_100000761231 [0,1,0,1,0,0|1,0,0]=3 9735 B17R2.42593 O[C@@H](CN[C@@H]1C[C@@H]1F)c2ccc(cc2Cl)Cl 2230a_100015190264_100000761231 [0,1,0,1,0,0|2,0,0]=4 9736 B17R2.42593 O[C@@H](CN[C@@H]1C[C@H]1F)c2ccc(cc2Cl)Cl 2230a_100025746932_100000761231 [0,1,0,1,0,0|2,0,0]=4 9737 B17R2.42593 O[C@@H](CN[C@@H]1C[C@H]1F)c2ccc(cc2Cl)Cl 34a_100025746932_100000761231 [0,1,0,1,0,0|2,0,0]=4 9738 B17R2.42593 O[C@H](CN[C@@H]1C[C@@H]1F)c2ccc(cc2F)F 2230a_100015190264_100000761269 [0,1,0,1,0,0|2,0,0]=4 9739 B17R2.42593 O[C@H](CN[C@@H]1C[C@H]1F)c2ccc(cc2F)F 2230a_100025746932_100000761269 [0,1,0,1,0,0|2,0,0]=4 9740 B17R2.42593 O[C@H](CN[C@@H]1C[C@H]1F)c2ccc(cc2F)F 34a_100025746932_100000761269 [0,1,0,1,0,0|2,0,0]=4 9741 B17R2.157502 O=C(CNCC1CC1)c2ccc(cc2O)O 34a_100000735609_100009814262 [0,1,0,1,0,0|0,0,2]=4 9742 B17R2.157502 O[C@@H](CNCC1CC1)c2ccc(cc2Cl)Cl 2230a_100000735609_100000761231 [0,1,0,1,0,0|1,0,0]=3 9743 B17R2.157502 O[C@@H](CNCC1CC1)c2ccc(cc2Cl)Cl 34a_100000735609_100000761231 [0,1,0,1,0,0|1,0,0]=3 9744 B17R2.157502 O[C@@H](COCC1CC1)c2ccc(cc2Cl)Cl 34a_100000211283_100000761231 [0,1,0,1,0,0|2,0,0]=4 9745 B17R2.157502 O[C@@H](CSCC1CC1)c2ccc(cc2Cl)Cl 62a_100000756562_100000761231 [0,1,0,1,0,0|2,0,0]=4 9746 B17R2.157502 O[C@@H](CSCC1CC1)c2ccc(cc2Cl)Cl 62a_100000761231_100000742324 [0,1,0,1,0,0|2,0,0]=4 9747 B17R2.157502 O[C@H](CNCC1CC1)c2ccc(cc2F)F 2230a_100000735609_100000761269 [0,1,0,1,0,0|1,0,0]=3 9748 B17R2.157502 O[C@H](CNCC1CC1)c2ccc(cc2F)F 34a_100000735609_100000761269 [0,1,0,1,0,0|1,0,0]=3 9749 B17R2.157502 O[C@H](COCC1CC1)c2ccc(cc2F)F 34a_100000211283_100000761269 [0,1,0,1,0,0|2,0,0]=4 9750 B17R2.157502 O[C@H](CSCC1CC1)c2ccc(cc2F)F 62a_100000756562_100000761269 [0,1,0,1,0,0|2,0,0]=4 9751 B17R2.157502 O[C@H](CSCC1CC1)c2ccc(cc2F)F 62a_100000761269_100000742324 [0,1,0,1,0,0|2,0,0]=4 9752 B17R2.277228 O=C(CNC1CCC1)c2ccc(cc2O)O 34a_100000749019_100009814262 [0,1,0,1,0,0|0,0,2]=4 9753 B17R2.277228 O[C@@H](CNC1CCC1)c2ccc(cc2Cl)Cl 2230a_100000749019_100000761231 [0,1,0,1,0,0|1,0,0]=3 9754 B17R2.277228 O[C@@H](CNC1CCC1)c2ccc(cc2Cl)Cl 34a_100000749019_100000761231 [0,1,0,1,0,0|1,0,0]=3 9755 B17R2.277228 O[C@@H](CNC1COC1)c2ccc(cc2Cl)Cl 2230a_100016991112_100000761231 [0,1,0,1,0,0|2,0,0]=4 9756 B17R2.277228 O[C@@H](COC1CCC1)c2ccc(cc2Cl)Cl 34a_100000748187_100000761231 [0,1,0,1,0,0|2,0,0]=4 9757 B17R2.277228 O[C@@H](CSC1CCC1)c2ccc(cc2Cl)Cl 62a_100000761231_100000749161 [0,1,0,1,0,0|2,0,0]=4 9758 B17R2.277228 O[C@H](CNC1CCC1)c2ccc(cc2F)F 2230a_100000749019_100000761269 [0,1,0,1,0,0|1,0,0]=3 9759 B17R2.277228 O[C@H](CNC1CCC1)c2ccc(cc2F)F 34a_100000749019_100000761269 [0,1,0,1,0,0|1,0,0]=3 9760 B17R2.277228 O[C@H](CNC1COC1)c2ccc(cc2F)F 2230a_100016991112_100000761269 [0,1,0,1,0,0|2,0,0]=4 9761 B17R2.277228 O[C@H](COC1CCC1)c2ccc(cc2F)F 34a_100000748187_100000761269 [0,1,0,1,0,0|2,0,0]=4 9762 B17R2.277228 O[C@H](CSC1CCC1)c2ccc(cc2F)F 62a_100000761269_100000749161 [0,1,0,1,0,0|2,0,0]=4 9763 B17R3.2409 Brc1ccc(cc1)C2CC2NCC3CC3 2230a_100000755575_100000742324 [0,0,0,2,0,0|2,0,0]=4 9764 B17R3.2409 Brc1ccc(cc1)C2CC2NCC3CC3 34a_100000755575_100000742324 [0,0,0,2,0,0|2,0,0]=4 9765 B17R3.2409 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CC3 2230a_100025713227_100000742324 [0,0,0,2,0,0|2,0,0]=4 9766 B17R3.2409 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CC3 34a_100025713227_100000742324 [0,0,0,2,0,0|2,0,0]=4 9767 B17R3.17887 Brc1ccc(cc1)C2CC2NC3CCC3 34a_100000755575_100000749161 [0,0,0,2,0,0|2,0,0]=4 9768 B17R3.17887 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCC3 34a_100025713227_100000749161 [0,0,0,2,0,0|2,0,0]=4 9769 B13R1.27 CCCCNCCc1ccc(o1)C 2230a_100000739271_100000210211 [1,0,0,0,1,0|2,0,0]=4 9770 B13R1.27 CCCCNCCc1ccc(o1)C 34a_100000739271_100000210210 [1,0,0,0,1,0|2,0,0]=4 9771 B13R1.27 CCCCNCCc1ccc(s1)Br 2230a_100000217605_100000210211 [1,0,0,0,1,0|2,0,0]=4 9772 B13R1.48 CCCCNCC(O)c1ccco1 2230a_100000738650_100000210211 [1,0,0,0,1,0|1,0,0]=3 9773 B13R1.48 CCCCNCC(O)c1ccsc1 2230a_100000758718_100000210211 [1,0,0,0,1,0|1,0,0]=3 9774 B13R1.48 CCCCNCC(O)c1ccsc1 34a_100000758718_100000210210 [1,0,0,0,1,0|1,0,0]=3 9775 B13R1.48 COCCNCC(O)c1ccco1 2230a_100000738650_100011201679 [1,0,0,0,1,0|2,0,0]=4 9776 B13R1.48 COCCNCC(O)c1ccsc1 2230a_100000758718_100011201679 [1,0,0,0,1,0|2,0,0]=4 9777 B13R1.48 COCCNCC(O)c1ccsc1 34a_100000758718_100011201679 [1,0,0,0,1,0|2,0,0]=4 9778 B13R1.48 CSCCNCC(O)c1ccco1 2230a_100000738650_100000751147 [1,0,0,0,1,0|2,0,0]=4 9779 B13R1.48 CSCCNCC(O)c1ccsc1 2230a_100000758718_100000751147 [1,0,0,0,1,0|2,0,0]=4 9780 B13R1.48 CSCCNCC(O)c1ccsc1 34a_100000758718_100000212216 [1,0,0,0,1,0|2,0,0]=4 9781 B13R1.48 OC(CNCCCF)c1ccco1 2230a_100000738650_100011934791 [1,0,0,0,1,0|2,0,0]=4 9782 B13R1.48 OC(CNCCCF)c1ccsc1 2230a_100000758718_100011934791 [1,0,0,0,1,0|2,0,0]=4 9783 B13R1.48 OC(CNCCCF)c1ccsc1 34a_100000758718_100011934791 [1,0,0,0,1,0|2,0,0]=4 9784 B13R1.48 OCCCNCC(O)c1ccco1 2230a_100000738650_100000230001 [1,0,0,0,1,0|2,0,0]=4 9785 B13R1.48 OCCCNCC(O)c1ccsc1 2230a_100000758718_100000230001 [1,0,0,0,1,0|2,0,0]=4 9786 B13R1.48 OCCCNCC(O)c1ccsc1 34a_100000758718_100000230001 [1,0,0,0,1,0|2,0,0]=4 9787 B15R1.83 C#CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000688953 [1,0,0,0,0,1|0,0,2]=4 9788 B15R1.83 C#CCCNC[C@@H](O)Cc1ccccc1 34a_100000755551_100000729385 [1,0,0,0,0,1|0,0,2]=4 9789 B15R1.83 C=CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000754431 [1,0,0,0,0,1|0,0,2]=4 9790 B15R1.83 C=CCCNC[C@@H](O)Cc1ccccc1 2230a_100015191253_100000729385 [1,0,0,0,0,1|0,0,2]=4 9791 B15R1.83 CC#CCNCC(O)Cc1ccccc1 2230a_100000752270_100000748600 [1,0,0,0,0,1|0,0,2]=4 9792 B15R1.83 CC#CCNC[C@@H](O)Cc1ccccc1 2230a_100000685387_100000729385 [1,0,0,0,0,1|0,0,2]=4 9793 B15R1.83 CC#CCNC[C@@H](O)Cc1ccccc1 34a_100000685387_100000729385 [1,0,0,0,0,1|0,0,2]=4 9794 B15R1.83 CC(CNCCCF)Oc1ccccc1 2230a_100000755676_100011934791 [1,0,0,0,0,1|2,0,0]=4 9795 B15R1.83 CC(CNCCCF)Oc1ccccc1 34a_100000755676_100011934791 [1,0,0,0,0,1|2,0,0]=4 9796 B15R1.83 CC(CNCCCO)Oc1ccccc1 2230a_100000755676_100000230001 [1,0,0,0,0,1|2,0,0]=4 9797 B15R1.83 CC(CNCCCO)Oc1ccccc1 34a_100000755676_100000230001 [1,0,0,0,0,1|2,0,0]=4 9798 B15R1.83 CC=CCNCC(O)Cc1ccccc1 2230a_100000752270_100000070051 [1,0,0,0,0,1|0,0,2]=4 9799 B15R1.83 CCCCCCC(C)Nc1ccccc1 34a_100000106764_100011215978 [1,0,0,0,0,1|2,0,0]=4 9800 B15R1.83 CCCCCCC(C)Oc1ccccc1 34a_100000210340_100011215978 [1,0,0,0,0,1|2,0,0]=4 9801 B15R1.83 CCCCCCC(C)Oc1ccccc1 7a_100000210340_100011215978 [1,0,0,0,0,1|2,0,0]=4 9802 B15R1.83 CCCCNCC(=O)Cc1ccccc1 2230a_100000102301_100000233483 [1,0,0,0,0,1|0,0,2]=4 9803 B15R1.83 CCCCNCC(=O)Cc1ccccc1 7a_106832991798_100000233483 [1,0,0,0,0,1|0,0,2]=4 9804 B15R1.83 CCCCNCC(=O)Nc1ccccc1 2230a_100000102301_100000182850 [1,0,0,0,0,1|0,0,2]=4 9805 B15R1.83 CCCCNCC(=O)Nc1ccccc1 7a_106832991798_100000182850 [1,0,0,0,0,1|0,0,2]=4 9806 B15R1.83 CCCCNCC(=O)Oc1ccccc1 2230a_100000102301_100009813826 [1,0,0,0,0,1|0,0,2]=4 9807 B15R1.83 CCCCNCC(=O)Oc1ccccc1 7a_106832991798_100009813826 [1,0,0,0,0,1|0,0,2]=4 9808 B15R1.83 CCCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210211 [1,0,0,0,0,1|1,0,0]=3 9809 B15R1.83 CCCCNCC(C)Oc1ccccc1 34a_100000755676_100000210210 [1,0,0,0,0,1|1,0,0]=3 9810 B15R1.83 CCCCNCC(C)Oc1cccnc1 2230a_200011219418_100000210211 [1,0,0,0,0,1|2,0,0]=4 9811 B15R1.83 CCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210211 [1,0,0,0,0,1|0,0,0]=2 9812 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 2230a_100000102301_100000729385 [1,0,0,0,0,1|0,0,0]=2 9813 B15R1.83 CCCCNC[C@@H](O)Cc1ccccc1 7a_106832991798_100000729385 [1,0,0,0,0,1|0,0,0]=2 9814 B15R1.83 CCCCOCC(C)Cc1ccccc1 34a_100012125295_100000210210 [1,0,0,0,0,1|2,0,0]=4 9815 B15R1.83 CCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210211 [1,0,0,0,0,1|2,0,0]=4 9816 B15R1.83 CCCCOCC(C)Oc1ccccc1 34a_200000036796_100000210210 [1,0,0,0,0,1|2,0,0]=4 9817 B15R1.83 CCCCOCC(C)Oc1ccccc1 7a_200000036796_100000210211 [1,0,0,0,0,1|2,0,0]=4 9818 B15R1.83 CCCCOCC(N)Cc1ccccc1 34a_100000739027_100000210210 [1,0,0,0,0,1|2,0,0]=4 9819 B15R1.83 CCCCOC[C@@H](O)Cc1ccccc1 34a_100000210227_100000729385 [1,0,0,0,0,1|1,0,0]=3 9820 B15R1.83 CCCCOC[C@@H](O)Cc1ccccc1 7a_100000210227_100000729385 [1,0,0,0,0,1|1,0,0]=3 9821 B15R1.83 CCCCSC[C@@H](O)Cc1ccccc1 62a_100000210211_100000729385 [1,0,0,0,0,1|1,0,0]=3 9822 B15R1.83 CCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210210 [1,0,0,0,0,1|1,0,0]=3 9823 B15R1.83 CCOCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000739092 [1,0,0,0,0,1|2,0,0]=4 9824 B15R1.83 CCOCSC[C@@H](O)Cc1ccccc1 62a_100000739092_100000729385 [1,0,0,0,0,1|2,0,0]=4 9825 B15R1.83 COCCNCC(C)Oc1ccccc1 2230a_100000755676_100011201679 [1,0,0,0,0,1|2,0,0]=4 9826 B15R1.83 COCCNCC(C)Oc1ccccc1 34a_100000755676_100011201679 [1,0,0,0,0,1|2,0,0]=4 9827 B15R1.83 COCCNCC(O)Cc1ccccc1 2230a_100000752270_100011201679 [1,0,0,0,0,1|1,0,0]=3 9828 B15R1.83 COCCNC[C@@H](O)Cc1ccccc1 2230a_100000209980_100000729385 [1,0,0,0,0,1|1,0,0]=3 9829 B15R1.83 COCCOC[C@@H](O)Cc1ccccc1 34a_100000210237_100000729385 [1,0,0,0,0,1|2,0,0]=4 9830 B15R1.83 COCCSC[C@@H](O)Cc1ccccc1 62a_100000233755_100000729385 [1,0,0,0,0,1|2,0,0]=4 9831 B15R1.83 COCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000233755 [1,0,0,0,0,1|2,0,0]=4 9832 B15R1.83 CSCCNCC(C)Oc1ccccc1 2230a_100000755676_100000751147 [1,0,0,0,0,1|2,0,0]=4 9833 B15R1.83 CSCCNCC(C)Oc1ccccc1 34a_100000755676_100000212216 [1,0,0,0,0,1|2,0,0]=4 9834 B15R1.83 CSCCNCC(O)Cc1ccccc1 2230a_100000752270_100000751147 [1,0,0,0,0,1|1,0,0]=3 9835 B15R1.83 CSCCNC[C@@H](O)Cc1ccccc1 2230a_100020590264_100000729385 [1,0,0,0,0,1|1,0,0]=3 9836 B15R1.83 CSCCOC[C@@H](O)Cc1ccccc1 34a_100000230434_100000729385 [1,0,0,0,0,1|2,0,0]=4 9837 B15R1.83 CSCCOC[C@@H](O)Cc1ccccc1 7a_100000230434_100000729385 [1,0,0,0,0,1|2,0,0]=4 9838 B15R1.83 CSCCSC[C@@H](O)Cc1ccccc1 62a_100000212216_100000729385 [1,0,0,0,0,1|2,0,0]=4 9839 B15R1.83 CSCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000751147 [1,0,0,0,0,1|2,0,0]=4 9840 B15R1.83 N#CCCNCC(O)Cc1ccccc1 2230a_100000752270_100011215226 [1,0,0,0,0,1|1,0,1]=4 9841 B15R1.83 NCCCOC[C@@H](O)Cc1ccccc1 34a_100000182051_100000729385 [1,0,0,0,0,1|2,0,0]=4 9842 B15R1.83 OC(CNCCCF)Cc1ccccc1 2230a_100000752270_100011934791 [1,0,0,0,0,1|1,0,0]=3 9843 B15R1.83 OCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000230001 [1,0,0,0,0,1|1,0,0]=3 9844 B15R1.83 OCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011215043 [1,0,0,0,0,1|2,0,0]=4 9845 B15R1.83 OCCCSC[C@@H](O)Cc1ccccc1 62a_100011215043_100000729385 [1,0,0,0,0,1|2,0,0]=4 9846 B15R1.83 O[C@H](CNCCCF)Cc1ccccc1 2230a_100015189416_100000729385 [1,0,0,0,0,1|1,0,0]=3 9847 B15R1.83 O[C@H](CNCCCF)Cc1ccccc1 34a_100015189416_100000729385 [1,0,0,0,0,1|1,0,0]=3 9848 B15R1.83 O[C@H](COCCCBr)Cc1ccccc1 34a_100011217188_100000729385 [1,0,0,0,0,1|2,0,0]=4 9849 B15R1.83 O[C@H](COCCCCl)Cc1ccccc1 34a_100000230001_100000729385 [1,0,0,0,0,1|2,0,0]=4 9850 B15R1.83 O[C@H](COCCCF)Cc1ccccc1 34a_100000759539_100000729385 [1,0,0,0,0,1|2,0,0]=4 9851 B15R1.83 O[C@H](CSCCCF)Cc1ccccc1 62a_100000729385_100011934791 [1,0,0,0,0,1|2,0,0]=4 9852 B15R1.83 O[C@H](CSCCCF)Cc1ccccc1 62a_100011934791_100000729385 [1,0,0,0,0,1|2,0,0]=4 9853 B17R1.741 CCCCCCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215978 [0,0,0,0,0,2|2,0,0]=4