0 B16R2.2832 Brc1csc(n1)COCc2ccccc2 7a_100012000107_100000211182 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.2832 CN1CCC(C1)COCc2ccccc2 34a_100000210790_200000690779 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.2832 CN1CCC(C1)COCc2ccccc2 7a_100000210790_200000690779 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.2832 Cc1cc(no1)COCc2ccccc2 34a_100000210790_100000199038 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.2832 Cc1cc(no1)COCc2ccccc2 34a_100011216401_100015291786 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2832 Cc1cc(no1)COCc2ccccc2 7a_100000210790_100000199038 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 Cc1nc(co1)CNCc2ccccc2 207a_100015324214_100011361629 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.2832 Cc1nc(co1)CNCc2ccccc2 270004a_100015324214_100011361629 [0,0,0,0,0,0|2,0,2]=4 8 B16R2.2832 Cc1nc(co1)COCc2ccccc2 34a_100012017233_100015291786 [0,0,0,0,0,0|1,0,2]=3 9 B16R2.2832 Cc1nc(co1)COCc2ccccn2 34a_100012017233_100000721315 [0,0,0,0,0,0|2,0,2]=4 10 B16R2.2832 Cc1nc(co1)COCc2cccnc2 34a_100012017233_100000733263 [0,0,0,0,0,0|2,0,2]=4 11 B16R2.2832 Cc1nc(cs1)COCc2ccccc2 34a_100000210790_100015186478 [0,0,0,0,0,0|1,1,2]=4 12 B16R2.2832 Cc1nc(cs1)COCc2ccccc2 34a_100000735831_100015291786 [0,0,0,0,0,0|1,1,2]=4 13 B16R2.2832 Cc1nc(cs1)COCc2ccccc2 7a_100000210790_100015186478 [0,0,0,0,0,0|1,1,2]=4 14 B16R2.2832 Cc1nc(no1)CCCc2ccccc2 270196a_200000738867_100000070787 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.2832 Cc1nc(no1)CNCc2ccccc2 2230a_100015324214_100000231061 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.2832 Cc1nc(no1)CNCc2ccccc2 34a_100015324214_100000231061 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.2832 Cc1nc(no1)COCc2ccccc2 270196a_100000747618_100000070787 [0,0,0,0,0,0|2,0,1]=3 18 B16R2.2832 Cc1nc(no1)COCc2ccccc2 34a_100000210790_100000231061 [0,0,0,0,0,0|2,0,1]=3 19 B16R2.2832 Cc1nc(no1)COCc2ccccc2 7a_100000210790_100000231061 [0,0,0,0,0,0|2,0,1]=3 20 B16R2.2832 Cc1nc(no1)CSCc2ccccc2 62a_100000211182_100000231061 [0,0,0,0,0,0|2,1,1]=4 21 B16R2.2832 Cc1nc(no1)CSCc2ccccc2 62a_100000231061_100015291786 [0,0,0,0,0,0|2,1,1]=4 22 B16R2.2832 Cc1noc(n1)COCc2ccccc2 270196a_100000212224_100000230186 [0,0,0,0,0,0|3,0,1]=4 23 B16R2.2832 Cc1noc(n1)COCc2ccccc2 34a_100000210790_100000735555 [0,0,0,0,0,0|3,0,1]=4 24 B16R2.2832 Cc1noc(n1)COCc2ccccc2 34a_100000749583_100015291786 [0,0,0,0,0,0|3,0,1]=4 25 B16R2.2832 Cc1noc(n1)COCc2ccccc2 7a_100000210790_100000735555 [0,0,0,0,0,0|3,0,1]=4 26 B16R2.2832 Clc1nc(cs1)COCc2ccccc2 34a_100000210790_100000024076 [0,0,0,0,0,0|1,1,2]=4 27 B16R2.2832 Clc1nc(cs1)COCc2ccccc2 7a_100000210790_100000024076 [0,0,0,0,0,0|1,1,2]=4 28 B16R2.2832 Clc1nc(ns1)COCc2ccccc2 34a_100000210790_100000043760 [0,0,0,0,0,0|2,1,1]=4 29 B16R2.2832 N[C@H]1C=C[C@H](C1)COCc2ccccc2 34a_100020646542_100015291786 [0,0,0,0,0,0|2,0,2]=4 30 B16R2.2832 Nc1ncc(s1)COCc2ccccc2 7a_100011997359_100000211182 [0,0,0,0,0,0|2,0,2]=4 31 B16R2.2832 Nc1nnc(s1)COCc2ccccc2 7a_100000691500_100000211182 [0,0,0,0,0,0|3,0,1]=4 32 B16R2.2832 O=C1C=C(CO1)CNCc2ccccc2 34a_100015324214_100000716558 [0,0,0,0,0,0|3,0,1]=4 33 B16R2.2832 O=C1C=C(CO1)COCc2ccccc2 34a_100000210790_100000716558 [0,0,0,0,0,0|2,0,1]=3 34 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000211182_100000716558 [0,0,0,0,0,0|2,1,1]=4 35 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000716558_100015291786 [0,0,0,0,0,0|2,1,1]=4 36 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 207a_100016993742_100015611070 [0,0,0,0,0,0|4,0,0]=4 37 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 2230a_100016993742_100015291786 [0,0,0,0,0,0|4,0,0]=4 38 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 34a_100016993742_100015291786 [0,0,0,0,0,0|4,0,0]=4 39 B16R2.2832 O=C1CC(CN1)COCc2ccccc2 34a_100016041077_100015291786 [0,0,0,0,0,0|3,0,0]=3 40 B16R2.2832 O=C1CC(CN1)COCc2ccccn2 34a_100016041077_100000721315 [0,0,0,0,0,0|4,0,0]=4 41 B16R2.2832 O=C1CC(CN1)COCc2cccnc2 34a_100016041077_100000733263 [0,0,0,0,0,0|4,0,0]=4 42 B16R2.2832 O=C1CCC(N1)COCc2ccccc2 34a_100000737831_100015291786 [0,0,0,0,0,0|2,0,1]=3 43 B16R2.2832 O=C1CCC(N1)COCc2ccccn2 34a_100000737831_100000721315 [0,0,0,0,0,0|3,0,1]=4 44 B16R2.2832 O=C1CCC(N1)COCc2cccnc2 34a_100000737831_100000733263 [0,0,0,0,0,0|3,0,1]=4 45 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 207a_100015423886_100015611070 [0,0,0,0,0,0|3,0,1]=4 46 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 2230a_100015423886_100015291786 [0,0,0,0,0,0|3,0,1]=4 47 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 270004a_100015423886_100015611070 [0,0,0,0,0,0|3,0,1]=4 48 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 34a_100015423886_100015291786 [0,0,0,0,0,0|3,0,1]=4 49 B16R2.2832 O=C1CC[C@H](N1)CNCc2ccccc2 2230a_100015324214_100015189358 [0,0,0,0,0,0|3,0,1]=4 50 B16R2.2832 O=C1CC[C@H](N1)COCc2ccccc2 7a_100000210790_100015189358 [0,0,0,0,0,0|2,0,1]=3 51 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100000211182_100015189358 [0,0,0,0,0,0|2,1,1]=4 52 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100015189358_100015291786 [0,0,0,0,0,0|2,1,1]=4 53 B16R2.2832 O=C1CN(CN1)COCc2ccccc2 2230a_200000708111_100000763385 [0,0,0,0,0,0|4,0,0]=4 54 B16R2.2832 O=C1NCC(O1)CNCc2ccccc2 2230a_100015324214_100000181169 [0,0,0,0,0,0|4,0,0]=4 55 B16R2.2832 O=C1NCC(O1)CNCc2ccccc2 34a_100015324214_100000181169 [0,0,0,0,0,0|4,0,0]=4 56 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 34a_100000210790_100000181169 [0,0,0,0,0,0|3,0,0]=3 57 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 34a_100011315639_100015291786 [0,0,0,0,0,0|3,0,0]=3 58 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 7a_100000210790_100000181169 [0,0,0,0,0,0|3,0,0]=3 59 B16R2.2832 O=C1NCC(O1)COCc2ccccn2 34a_100011315639_100000721315 [0,0,0,0,0,0|4,0,0]=4 60 B16R2.2832 O=C1NCC(O1)COCc2cccnc2 34a_100011315639_100000733263 [0,0,0,0,0,0|4,0,0]=4 61 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000181169_100015291786 [0,0,0,0,0,0|3,1,0]=4 62 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000211182_100000181169 [0,0,0,0,0,0|3,1,0]=4 63 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 2230a_100015324214_100015307671 [0,0,0,0,0,0|2,0,1]=3 64 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 34a_100015324214_100015307671 [0,0,0,0,0,0|2,0,1]=3 65 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 34a_100000210790_100015307671 [0,0,0,0,0,0|1,0,1]=2 66 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 7a_100000210790_100015307671 [0,0,0,0,0,0|1,0,1]=2 67 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100000211182_100015307671 [0,0,0,0,0,0|1,1,1]=3 68 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100015307671_100015291786 [0,0,0,0,0,0|1,1,1]=3 69 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100000721315_100015307671 [0,0,0,0,0,0|2,1,1]=4 70 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100015307671_100000721315 [0,0,0,0,0,0|2,1,1]=4 71 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100000741622_100015307671 [0,0,0,0,0,0|2,1,1]=4 72 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100015307671_100000741622 [0,0,0,0,0,0|2,1,1]=4 73 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015193705_100015307671 [0,0,0,0,0,0|2,1,1]=4 74 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015307671_100015193705 [0,0,0,0,0,0|2,1,1]=4 75 B16R2.2832 O=C1OCC(O1)CNCc2ccccc2 34a_100015324214_100000073702 [0,0,0,0,0,0|3,0,0]=3 76 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 34a_100000210790_100000073702 [0,0,0,0,0,0|2,0,0]=2 77 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000073702_100015291786 [0,0,0,0,0,0|2,1,0]=3 78 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000211182_100000073702 [0,0,0,0,0,0|2,1,0]=3 79 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000073702_100000721315 [0,0,0,0,0,0|3,1,0]=4 80 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000721315_100000073702 [0,0,0,0,0,0|3,1,0]=4 81 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000073702_100000741622 [0,0,0,0,0,0|3,1,0]=4 82 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000741622_100000073702 [0,0,0,0,0,0|3,1,0]=4 83 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100000073702_100015193705 [0,0,0,0,0,0|3,1,0]=4 84 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100015193705_100000073702 [0,0,0,0,0,0|3,1,0]=4 85 B16R2.2832 O=C1OCC(O1)NCCc2ccccc2 34a_100000106460_100000032252 [0,0,0,0,0,0|4,0,0]=4 86 B16R2.2832 O=C1OCC(O1)OCCc2ccccc2 34a_100000210268_100000032252 [0,0,0,0,0,0|4,0,0]=4 87 B16R2.2832 O=C1OCC(O1)SCCc2ccccc2 62a_100000765856_100000032252 [0,0,0,0,0,0|4,0,0]=4 88 B16R2.2832 Oc1nc(no1)CCCc2ccccc2 270196a_200000738867_100015183105 [0,0,0,0,0,0|3,0,1]=4 89 B16R2.2832 Oc1nc(no1)COCc2ccccc2 270196a_100000747618_100015183105 [0,0,0,0,0,0|2,0,1]=3 90 B15R2.2196 C1=CCC(C1)COCc2ccccc2 34a_100000688395_100015291786 [1,0,0,0,0,0|2,0,0]=3 91 B15R2.2196 C1=CCC(C1)COCc2ccccn2 34a_100000688395_100000721315 [1,0,0,0,0,0|3,0,0]=4 92 B15R2.2196 C1=CCC(C1)COCc2cccnc2 34a_100000688395_100000733263 [1,0,0,0,0,0|3,0,0]=4 93 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 207a_100000737293_100015611070 [1,0,0,0,0,0|2,0,1]=4 94 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 2230a_100000737293_100015291786 [1,0,0,0,0,0|2,0,1]=4 95 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 2230a_100015324214_100000702531 [1,0,0,0,0,0|2,0,1]=4 96 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 270004a_100000737293_100015611070 [1,0,0,0,0,0|2,0,1]=4 97 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 34a_100000737293_100015291786 [1,0,0,0,0,0|2,0,1]=4 98 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 34a_100015324214_100011261433 [1,0,0,0,0,0|2,0,1]=4 99 B15R2.2196 c1ccc(cc1)CNCc2cocn2 207a_100015188801_100015611070 [1,0,0,0,0,0|1,0,2]=4 100 B15R2.2196 c1ccc(cc1)CNCc2cocn2 270004a_100015188801_100015611070 [1,0,0,0,0,0|1,0,2]=4 101 B15R2.2196 c1ccc(cc1)CNCc2cocn2 270004a_100015324214_100000050382 [1,0,0,0,0,0|1,0,2]=4 102 B15R2.2196 c1ccc(cc1)CNCc2ncon2 34a_100015324214_100000233494 [1,0,0,0,0,0|2,0,1]=4 103 B15R2.2196 c1ccc(cc1)COCC2CCCC2 34a_100000210790_100000740388 [1,0,0,0,0,0|2,0,1]=4 104 B15R2.2196 c1ccc(cc1)COCC2CCCC2 34a_100000742336_100015291786 [1,0,0,0,0,0|2,0,1]=4 105 B15R2.2196 c1ccc(cc1)COCC2CCCC2 7a_100000210790_100000740388 [1,0,0,0,0,0|2,0,1]=4 106 B15R2.2196 c1ccc(cc1)COCC2CCCC2 7a_100000742336_100000211182 [1,0,0,0,0,0|2,0,1]=4 107 B15R2.2196 c1ccc(cc1)COCC2CCCO2 34a_100000210270_100015291786 [1,0,0,0,0,0|2,0,1]=4 108 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210270_100000211182 [1,0,0,0,0,0|2,0,1]=4 109 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210790_100000203698 [1,0,0,0,0,0|2,0,1]=4 110 B15R2.2196 c1ccc(cc1)COCC2CCNC2 34a_100000748654_100015291786 [1,0,0,0,0,0|2,0,1]=4 111 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000210790_100011261433 [1,0,0,0,0,0|1,0,1]=3 112 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000740260_100015291786 [1,0,0,0,0,0|1,0,1]=3 113 B15R2.2196 c1ccc(cc1)COCC2CCOC2 7a_100000210790_100000702531 [1,0,0,0,0,0|1,0,1]=3 114 B15R2.2196 c1ccc(cc1)COCC2COCO2 34a_100011216627_100015291786 [1,0,0,0,0,0|1,0,1]=3 115 B15R2.2196 c1ccc(cc1)COC[C@H]2CCCN2 34a_100000745186_100015291786 [1,0,0,0,0,0|1,0,2]=4 116 B15R2.2196 c1ccc(cc1)COCc2c[nH]cn2 34a_100000210790_100000707719 [1,0,0,0,0,0|1,0,2]=4 117 B15R2.2196 c1ccc(cc1)COCc2ccoc2 34a_100011215357_100015291786 [1,0,0,0,0,0|1,0,2]=4 118 B15R2.2196 c1ccc(cc1)COCc2ccon2 34a_100000210790_100000234950 [1,0,0,0,0,0|2,0,1]=4 119 B15R2.2196 c1ccc(cc1)COCc2ccon2 7a_100000210790_100000234950 [1,0,0,0,0,0|2,0,1]=4 120 B15R2.2196 c1ccc(cc1)COCc2cscn2 34a_100000210790_100000205941 [1,0,0,0,0,0|0,1,2]=4 121 B15R2.2196 c1ccc(cc1)COCc2cscn2 7a_100000210790_100000205941 [1,0,0,0,0,0|0,1,2]=4 122 B15R2.2196 c1ccc(cc1)COCc2ncc[nH]2 34a_100000210790_100016991755 [1,0,0,0,0,0|2,0,1]=4 123 B15R2.2196 c1ccc(cc1)COCc2ncc[nH]2 7a_100000210790_100000753453 [1,0,0,0,0,0|2,0,1]=4 124 B15R2.2196 c1ccc(cc1)COCc2ncco2 34a_100000062594_100015291786 [1,0,0,0,0,0|2,0,1]=4 125 B15R2.2196 c1ccc(cc1)COCc2ncco2 34a_100000210790_103436540062 [1,0,0,0,0,0|2,0,1]=4 126 B15R2.2196 c1ccc(cc1)COCc2ncco2 7a_100000210790_103436540062 [1,0,0,0,0,0|2,0,1]=4 127 B15R2.2196 c1ccc(cc1)COCc2nccs2 34a_100000210790_100015184050 [1,0,0,0,0,0|2,0,1]=4 128 B15R2.2196 c1ccc(cc1)COCc2nccs2 7a_100000210790_100015184050 [1,0,0,0,0,0|2,0,1]=4 129 B15R2.2196 c1ccc(cc1)COCc2ncon2 34a_100000210790_100000233494 [1,0,0,0,0,0|1,0,1]=3 130 B15R2.2196 c1ccc(cc1)COCn2cccn2 34a_100000731028_100015291786 [1,0,0,0,0,0|2,0,1]=4 131 B15R2.2196 c1ccc(cc1)COCn2cncn2 34a_100000210790_200020645497 [1,0,0,0,0,0|2,0,1]=4 132 B15R2.2196 c1ccc(cc1)COCn2cncn2 7a_100000210790_200020645497 [1,0,0,0,0,0|2,0,1]=4 133 B15R2.2196 c1ccc(cc1)CSCC2CCOC2 62a_100000211182_100000702531 [1,0,0,0,0,0|1,1,1]=4 134 B15R2.2196 c1ccc(cc1)CSCC2CCOC2 62a_100000702531_100015291786 [1,0,0,0,0,0|1,1,1]=4 135 B15R2.2196 c1ccc(cc1)CSCc2ncon2 62a_100000211182_100000233494 [1,0,0,0,0,0|1,1,1]=4 136 B15R2.2196 c1ccc(cc1)CSCc2ncon2 62a_100000233494_100015291786 [1,0,0,0,0,0|1,1,1]=4 137 B15R2.2196 c1ccc(nc1)COCC2CCOC2 34a_100000740260_100000721315 [1,0,0,0,0,0|2,0,1]=4 138 B15R2.2196 c1ccc(nc1)COCC2COCO2 34a_100011216627_100000721315 [1,0,0,0,0,0|2,0,1]=4 139 B15R2.2196 c1cncc(c1)COCC2CCOC2 34a_100000740260_100000733263 [1,0,0,0,0,0|2,0,1]=4 140 B15R2.2196 c1cncc(c1)COCC2COCO2 34a_100011216627_100000733263 [1,0,0,0,0,0|2,0,1]=4 141 B17R2.212 C[n+]1ccc(cc1)COCC2COC(=O)O2 34a_100009831711_100000073702 [0,1,0,0,0,0|3,0,0]=4 142 B17R2.212 C[n+]1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100009831711_100015307671 [0,1,0,0,0,0|2,0,1]=4 143 B17R2.212 Cc1ccc(cc1)CNCC2COC(=O)O2 34a_100000174908_100000073702 [0,1,0,0,0,0|3,0,0]=4 144 B17R2.212 Cc1ccc(cc1)CNC[C@H]2COC(=O)N2 2230a_100000174908_100015307671 [0,1,0,0,0,0|2,0,1]=4 145 B17R2.212 Cc1ccc(cc1)CNC[C@H]2COC(=O)N2 34a_100000174908_100015307671 [0,1,0,0,0,0|2,0,1]=4 146 B17R2.212 Cc1ccc(cc1)COCC2=CC(=O)OC2 34a_100011215236_100000716558 [0,1,0,0,0,0|2,0,1]=4 147 B17R2.212 Cc1ccc(cc1)COCC2CCC(=O)N2 34a_100000737831_100000210814 [0,1,0,0,0,0|2,0,1]=4 148 B17R2.212 Cc1ccc(cc1)COCC2CNC(=O)C2 34a_100016041077_100000210814 [0,1,0,0,0,0|3,0,0]=4 149 B17R2.212 Cc1ccc(cc1)COCC2CNC(=O)O2 34a_100011215236_100000181169 [0,1,0,0,0,0|3,0,0]=4 150 B17R2.212 Cc1ccc(cc1)COCC2CNC(=O)O2 34a_100011315639_100000210814 [0,1,0,0,0,0|3,0,0]=4 151 B17R2.212 Cc1ccc(cc1)COCC2CNC(=O)O2 7a_100011215236_100000181169 [0,1,0,0,0,0|3,0,0]=4 152 B17R2.212 Cc1ccc(cc1)COCC2COC(=O)O2 34a_100011215236_100000073702 [0,1,0,0,0,0|2,0,0]=3 153 B17R2.212 Cc1ccc(cc1)COC[C@@H]2CCC(=O)N2 7a_100011215236_100015189358 [0,1,0,0,0,0|2,0,1]=4 154 B17R2.212 Cc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215236_100015307671 [0,1,0,0,0,0|1,0,1]=3 155 B17R2.212 Cc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100011215236_100015307671 [0,1,0,0,0,0|1,0,1]=3 156 B17R2.212 Cc1ccc(cc1)COCc2coc(n2)C 34a_100012017233_100000210814 [0,1,0,0,0,0|1,0,2]=4 157 B17R2.212 Cc1ccc(cc1)COCc2noc(n2)C 34a_100011215236_100000231061 [0,1,0,0,0,0|2,0,1]=4 158 B17R2.212 Cc1ccc(cc1)COCc2noc(n2)C 7a_100011215236_100000231061 [0,1,0,0,0,0|2,0,1]=4 159 B17R2.212 Cc1ccc(cc1)CSCC2COC(=O)O2 62a_100000073702_100000210814 [0,1,0,0,0,0|2,1,0]=4 160 B17R2.212 Cc1ccc(cc1)CSCC2COC(=O)O2 62a_100000210814_100000073702 [0,1,0,0,0,0|2,1,0]=4 161 B17R2.212 Cc1ccc(cc1)CSC[C@H]2COC(=O)N2 62a_100000210814_100015307671 [0,1,0,0,0,0|1,1,1]=4 162 B17R2.212 Cc1ccc(cc1)CSC[C@H]2COC(=O)N2 62a_100015307671_100000210814 [0,1,0,0,0,0|1,1,1]=4 163 B17R2.212 Cc1ccc(cn1)COCC2COC(=O)O2 34a_100011248133_100000073702 [0,1,0,0,0,0|3,0,0]=4 164 B17R2.212 Cc1ccc(cn1)COC[C@H]2COC(=O)N2 34a_100011248133_100015307671 [0,1,0,0,0,0|2,0,1]=4 165 B17R2.212 Cc1ccc(nc1)COCC2COC(=O)O2 34a_100012001401_100000073702 [0,1,0,0,0,0|3,0,0]=4 166 B17R2.212 Cc1ccc(nc1)COC[C@H]2COC(=O)N2 34a_100012001401_100015307671 [0,1,0,0,0,0|2,0,1]=4 167 B17R2.212 Cc1nc(co1)COCc2ccc(cc2)Br 34a_100012017233_100000189115 [0,1,0,0,0,0|1,0,2]=4 168 B17R2.212 Cc1nc(co1)COCc2ccc(cc2)Cl 34a_100012017233_100000694040 [0,1,0,0,0,0|1,0,2]=4 169 B17R2.212 Cc1nc(co1)COCc2ccc(cc2)F 34a_100012017233_100000198546 [0,1,0,0,0,0|1,0,2]=4 170 B17R2.212 Cc1nc(co1)COCc2ccc(cc2)I 34a_100012017233_100000189116 [0,1,0,0,0,0|1,0,2]=4 171 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)Br 34a_100000695286_100000231061 [0,1,0,0,0,0|2,0,1]=4 172 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)Cl 34a_100000211118_100000231061 [0,1,0,0,0,0|2,0,1]=4 173 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)Cl 7a_100000211118_100000231061 [0,1,0,0,0,0|2,0,1]=4 174 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)F 34a_100000210977_100000231061 [0,1,0,0,0,0|2,0,1]=4 175 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)F 7a_100000210977_100000231061 [0,1,0,0,0,0|2,0,1]=4 176 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)I 34a_100000690907_100000231061 [0,1,0,0,0,0|2,0,1]=4 177 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)I 7a_100000690907_100000231061 [0,1,0,0,0,0|2,0,1]=4 178 B17R2.212 Cc1nc(no1)COCc2ccc(cc2)N 34a_100011215238_100000231061 [0,1,0,0,0,0|2,0,1]=4 179 B17R2.212 Nc1ccc(cc1)COCC2=CC(=O)OC2 34a_100011215238_100000716558 [0,1,0,0,0,0|2,0,1]=4 180 B17R2.212 Nc1ccc(cc1)COCC2CNC(=O)O2 34a_100011215238_100000181169 [0,1,0,0,0,0|3,0,0]=4 181 B17R2.212 Nc1ccc(cc1)COCC2COC(=O)O2 34a_100011215238_100000073702 [0,1,0,0,0,0|2,0,0]=3 182 B17R2.212 Nc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215238_100015307671 [0,1,0,0,0,0|1,0,1]=3 183 B17R2.212 Nc1ccc(cn1)COCC2COC(=O)O2 34a_100000704267_100000073702 [0,1,0,0,0,0|3,0,0]=4 184 B17R2.212 Nc1ccc(cn1)COC[C@H]2COC(=O)N2 34a_100000704267_100015307671 [0,1,0,0,0,0|2,0,1]=4 185 B17R2.212 Nc1ccc(nc1)COCC2COC(=O)O2 34a_100011998161_100000073702 [0,1,0,0,0,0|3,0,0]=4 186 B17R2.212 Nc1ccc(nc1)COC[C@H]2COC(=O)N2 34a_100011998161_100015307671 [0,1,0,0,0,0|2,0,1]=4 187 B17R2.212 O=C1C=C(CO1)COCc2ccc(cc2)Br 34a_100000695286_100000716558 [0,1,0,0,0,0|2,0,1]=4 188 B17R2.212 O=C1C=C(CO1)COCc2ccc(cc2)Cl 34a_100000211118_100000716558 [0,1,0,0,0,0|2,0,1]=4 189 B17R2.212 O=C1C=C(CO1)COCc2ccc(cc2)F 34a_100000210977_100000716558 [0,1,0,0,0,0|2,0,1]=4 190 B17R2.212 O=C1C=C(CO1)COCc2ccc(cc2)I 34a_100000690907_100000716558 [0,1,0,0,0,0|2,0,1]=4 191 B17R2.212 O=C1CC(CN1)COCc2ccc(cc2)Br 34a_100016041077_100000189115 [0,1,0,0,0,0|3,0,0]=4 192 B17R2.212 O=C1CC(CN1)COCc2ccc(cc2)Cl 34a_100016041077_100000694040 [0,1,0,0,0,0|3,0,0]=4 193 B17R2.212 O=C1CC(CN1)COCc2ccc(cc2)F 34a_100016041077_100000198546 [0,1,0,0,0,0|3,0,0]=4 194 B17R2.212 O=C1CC(CN1)COCc2ccc(cc2)I 34a_100016041077_100000189116 [0,1,0,0,0,0|3,0,0]=4 195 B17R2.212 O=C1CCC(N1)COCc2ccc(cc2)Br 34a_100000737831_100000189115 [0,1,0,0,0,0|2,0,1]=4 196 B17R2.212 O=C1CCC(N1)COCc2ccc(cc2)Cl 34a_100000737831_100000694040 [0,1,0,0,0,0|2,0,1]=4 197 B17R2.212 O=C1CCC(N1)COCc2ccc(cc2)F 34a_100000737831_100000198546 [0,1,0,0,0,0|2,0,1]=4 198 B17R2.212 O=C1CCC(N1)COCc2ccc(cc2)I 34a_100000737831_100000189116 [0,1,0,0,0,0|2,0,1]=4 199 B17R2.212 O=C1CC[C@H](N1)COCc2ccc(cc2)Cl 7a_100000211118_100015189358 [0,1,0,0,0,0|2,0,1]=4 200 B17R2.212 O=C1CC[C@H](N1)COCc2ccc(cc2)F 7a_100000210977_100015189358 [0,1,0,0,0,0|2,0,1]=4 201 B17R2.212 O=C1CC[C@H](N1)COCc2ccc(cc2)I 7a_100000690907_100015189358 [0,1,0,0,0,0|2,0,1]=4 202 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)Br 34a_100000695286_100000181169 [0,1,0,0,0,0|3,0,0]=4 203 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)Br 34a_100011315639_100000189115 [0,1,0,0,0,0|3,0,0]=4 204 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)Cl 34a_100000211118_100000181169 [0,1,0,0,0,0|3,0,0]=4 205 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)Cl 34a_100011315639_100000694040 [0,1,0,0,0,0|3,0,0]=4 206 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)Cl 7a_100000211118_100000181169 [0,1,0,0,0,0|3,0,0]=4 207 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)F 34a_100000210977_100000181169 [0,1,0,0,0,0|3,0,0]=4 208 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)F 34a_100011315639_100000198546 [0,1,0,0,0,0|3,0,0]=4 209 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)F 7a_100000210977_100000181169 [0,1,0,0,0,0|3,0,0]=4 210 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)I 34a_100000690907_100000181169 [0,1,0,0,0,0|3,0,0]=4 211 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)I 34a_100011315639_100000189116 [0,1,0,0,0,0|3,0,0]=4 212 B17R2.212 O=C1NCC(O1)COCc2ccc(cc2)I 7a_100000690907_100000181169 [0,1,0,0,0,0|3,0,0]=4 213 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Br 2230a_100000174875_100015307671 [0,1,0,0,0,0|2,0,1]=4 214 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Br 34a_100000174875_100015307671 [0,1,0,0,0,0|2,0,1]=4 215 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Cl 2230a_100000174871_100015307671 [0,1,0,0,0,0|2,0,1]=4 216 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Cl 34a_100000174871_100015307671 [0,1,0,0,0,0|2,0,1]=4 217 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)F 2230a_100000174882_100015307671 [0,1,0,0,0,0|2,0,1]=4 218 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)F 34a_100000174882_100015307671 [0,1,0,0,0,0|2,0,1]=4 219 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)I 2230a_100016989417_100015307671 [0,1,0,0,0,0|2,0,1]=4 220 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)I 34a_100016989417_100015307671 [0,1,0,0,0,0|2,0,1]=4 221 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)O 34a_100000185549_100015307671 [0,1,0,0,0,0|2,0,1]=4 222 B17R2.212 O=C1N[C@H](CO1)COCc2cc[n+](cc2)[O-] 34a_100000031831_100015307671 [0,1,0,0,0,0|2,0,1]=4 223 B17R2.212 O=C1N[C@H](CO1)COCc2cc[n+](cc2)[O-] 7a_100000031831_100015307671 [0,1,0,0,0,0|2,0,1]=4 224 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(=O)[nH]c2 34a_100011999846_100015307671 [0,1,0,0,0,0|2,0,1]=4 225 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Br 34a_100000695286_100015307671 [0,1,0,0,0,0|1,0,1]=3 226 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Cl 34a_100000211118_100015307671 [0,1,0,0,0,0|1,0,1]=3 227 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Cl 7a_100000211118_100015307671 [0,1,0,0,0,0|1,0,1]=3 228 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)F 34a_100000210977_100015307671 [0,1,0,0,0,0|1,0,1]=3 229 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)F 7a_100000210977_100015307671 [0,1,0,0,0,0|1,0,1]=3 230 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)I 34a_100000690907_100015307671 [0,1,0,0,0,0|1,0,1]=3 231 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)I 7a_100000690907_100015307671 [0,1,0,0,0,0|1,0,1]=3 232 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cn2)Br 34a_100000754261_100015307671 [0,1,0,0,0,0|2,0,1]=4 233 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cn2)Cl 34a_100000703999_100015307671 [0,1,0,0,0,0|2,0,1]=4 234 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cn2)F 34a_100011999454_100015307671 [0,1,0,0,0,0|2,0,1]=4 235 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(nc2)Br 34a_100009816760_100015307671 [0,1,0,0,0,0|2,0,1]=4 236 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(nc2)Br 7a_100009816760_100015307671 [0,1,0,0,0,0|2,0,1]=4 237 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(nc2)Cl 34a_100000755211_100015307671 [0,1,0,0,0,0|2,0,1]=4 238 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(nc2)Cl 7a_100000755211_100015307671 [0,1,0,0,0,0|2,0,1]=4 239 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(nc2)F 34a_100000079959_100015307671 [0,1,0,0,0,0|2,0,1]=4 240 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Br 62a_100000189115_100015307671 [0,1,0,0,0,0|1,1,1]=4 241 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Br 62a_100015307671_100000189115 [0,1,0,0,0,0|1,1,1]=4 242 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Cl 62a_100000187161_100015307671 [0,1,0,0,0,0|1,1,1]=4 243 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Cl 62a_100015307671_100000187161 [0,1,0,0,0,0|1,1,1]=4 244 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)F 62a_100000198546_100015307671 [0,1,0,0,0,0|1,1,1]=4 245 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)F 62a_100015307671_100000187164 [0,1,0,0,0,0|1,1,1]=4 246 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)I 62a_100000189116_100015307671 [0,1,0,0,0,0|1,1,1]=4 247 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)I 62a_100015307671_100000189116 [0,1,0,0,0,0|1,1,1]=4 248 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)Br 34a_100000174875_100000073702 [0,1,0,0,0,0|3,0,0]=4 249 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)Cl 34a_100000174871_100000073702 [0,1,0,0,0,0|3,0,0]=4 250 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)F 34a_100000174882_100000073702 [0,1,0,0,0,0|3,0,0]=4 251 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)I 34a_100016989417_100000073702 [0,1,0,0,0,0|3,0,0]=4 252 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)O 34a_100000185549_100000073702 [0,1,0,0,0,0|3,0,0]=4 253 B17R2.212 O=C1OCC(O1)COCc2cc[n+](cc2)[O-] 34a_100000031831_100000073702 [0,1,0,0,0,0|3,0,0]=4 254 B17R2.212 O=C1OCC(O1)COCc2ccc(=O)[nH]c2 34a_100011999846_100000073702 [0,1,0,0,0,0|3,0,0]=4 255 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)Br 34a_100000695286_100000073702 [0,1,0,0,0,0|2,0,0]=3 256 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)Cl 34a_100000211118_100000073702 [0,1,0,0,0,0|2,0,0]=3 257 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)F 34a_100000210977_100000073702 [0,1,0,0,0,0|2,0,0]=3 258 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)I 34a_100000690907_100000073702 [0,1,0,0,0,0|2,0,0]=3 259 B17R2.212 O=C1OCC(O1)COCc2ccc(cn2)Br 34a_100000754261_100000073702 [0,1,0,0,0,0|3,0,0]=4 260 B17R2.212 O=C1OCC(O1)COCc2ccc(cn2)Cl 34a_100000703999_100000073702 [0,1,0,0,0,0|3,0,0]=4 261 B17R2.212 O=C1OCC(O1)COCc2ccc(cn2)F 34a_100011999454_100000073702 [0,1,0,0,0,0|3,0,0]=4 262 B17R2.212 O=C1OCC(O1)COCc2ccc(nc2)Br 34a_100009816760_100000073702 [0,1,0,0,0,0|3,0,0]=4 263 B17R2.212 O=C1OCC(O1)COCc2ccc(nc2)Cl 34a_100000755211_100000073702 [0,1,0,0,0,0|3,0,0]=4 264 B17R2.212 O=C1OCC(O1)COCc2ccc(nc2)F 34a_100000079959_100000073702 [0,1,0,0,0,0|3,0,0]=4 265 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Br 62a_100000073702_100000189115 [0,1,0,0,0,0|2,1,0]=4 266 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Br 62a_100000189115_100000073702 [0,1,0,0,0,0|2,1,0]=4 267 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Cl 62a_100000073702_100000187161 [0,1,0,0,0,0|2,1,0]=4 268 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Cl 62a_100000187161_100000073702 [0,1,0,0,0,0|2,1,0]=4 269 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)F 62a_100000073702_100000187164 [0,1,0,0,0,0|2,1,0]=4 270 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)F 62a_100000198546_100000073702 [0,1,0,0,0,0|2,1,0]=4 271 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)I 62a_100000073702_100000189116 [0,1,0,0,0,0|2,1,0]=4 272 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)I 62a_100000189116_100000073702 [0,1,0,0,0,0|2,1,0]=4 273 B17R2.2523 CCc1nc(no1)COCc2ccccc2 270196a_100000747618_100000210414 [0,1,0,0,0,0|2,0,1]=4 274 B17R2.2523 CCc1nc(no1)COCc2ccccc2 34a_100000210790_100000736014 [0,1,0,0,0,0|2,0,1]=4 275 B17R2.2523 CCc1nc(no1)COCc2ccccc2 7a_100000210790_100000736014 [0,1,0,0,0,0|2,0,1]=4 276 B17R2.2523 NC[C@@H]1CC[C@@H](C1)COCc2ccccc2 34a_206354213956_100015291786 [0,1,0,0,0,0|2,0,1]=4 277 B17R2.2523 OCc1nc(no1)COCc2ccccc2 270196a_100000747618_100000210174 [0,1,0,0,0,0|2,0,1]=4 278 B17R2.3229 CN(Cc1ccccc1)CC2COC(=O)O2 269982a_100000186898_100000073702 [0,1,0,0,0,0|3,0,0]=4 279 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 2230a_100000186898_100015307671 [0,1,0,0,0,0|2,0,1]=4 280 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 269982a_100000186898_100015307671 [0,1,0,0,0,0|2,0,1]=4 281 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccccc2 1458a_100000002200_100000765856 [0,1,0,0,0,0|1,1,1]=4 282 B17R2.3231 NC1=NC(CS1)C(=O)NCc2ccccc2 240690a_100015324214_100000002200 [0,1,0,0,0,0|1,1,1]=4 283 B17R2.3241 CC(OCC1CCC(=O)N1)c2ccccc2 34a_100000737831_100000211855 [0,1,0,0,0,0|2,0,1]=4 284 B17R2.3241 CC(OCC1CNC(=O)C1)c2ccccc2 34a_100016041077_100000211855 [0,1,0,0,0,0|3,0,0]=4 285 B17R2.3241 CC(OCC1CNC(=O)O1)c2ccccc2 34a_100011315639_100000211855 [0,1,0,0,0,0|3,0,0]=4 286 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000230085 [0,1,0,0,0,0|2,1,0]=4 287 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000230085_100000073702 [0,1,0,0,0,0|2,1,0]=4 288 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100000230085_100015307671 [0,1,0,0,0,0|1,1,1]=4 289 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000230085 [0,1,0,0,0,0|1,1,1]=4 290 B17R2.3241 C[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000751104_100015307671 [0,1,0,0,0,0|2,0,1]=4 291 B17R2.3241 C[C@@H](OCC1=CC(=O)OC1)c2ccccc2 34a_100000761318_100000716558 [0,1,0,0,0,0|2,0,1]=4 292 B17R2.3241 C[C@@H](OCC1CNC(=O)O1)c2ccccc2 34a_100000761318_100000181169 [0,1,0,0,0,0|3,0,0]=4 293 B17R2.3241 C[C@@H](OCC1CNC(=O)O1)c2ccccc2 7a_100000761318_100000181169 [0,1,0,0,0,0|3,0,0]=4 294 B17R2.3241 C[C@@H](OCC1COC(=O)O1)c2ccccc2 34a_100000761318_100000073702 [0,1,0,0,0,0|2,0,0]=3 295 B17R2.3241 C[C@@H](OC[C@@H]1CCC(=O)N1)c2ccccc2 7a_100000761318_100015189358 [0,1,0,0,0,0|2,0,1]=4 296 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000761318_100015307671 [0,1,0,0,0,0|1,0,1]=3 297 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000761318_100015307671 [0,1,0,0,0,0|1,0,1]=3 298 B17R2.3241 Cc1nc(co1)COC(C)c2ccccc2 34a_100012017233_100000211855 [0,1,0,0,0,0|1,0,2]=4 299 B17R2.3241 Cc1nc(no1)CO[C@H](C)c2ccccc2 34a_100000761318_100000231061 [0,1,0,0,0,0|2,0,1]=4 300 B17R2.3241 Cc1nc(no1)CO[C@H](C)c2ccccc2 7a_100000761318_100000231061 [0,1,0,0,0,0|2,0,1]=4 301 B17R2.3316 CN1CC(CC1=O)COCc2ccccc2 34a_100015185614_100015291786 [0,1,0,0,0,0|3,0,0]=4 302 B17R2.3348 Cc1nc(c(o1)C)COCc2ccccc2 34a_100000068805_100015291786 [0,1,0,0,0,0|1,0,2]=4 303 B17R2.3348 Cc1nc(c(o1)C)COCc2ccccc2 7a_100000068805_100000211182 [0,1,0,0,0,0|1,0,2]=4 304 B17R2.5296 Cc1cc(ccn1)COCC2COC(=O)O2 34a_100011998630_100000073702 [0,1,0,0,0,0|3,0,0]=4 305 B17R2.5296 Cc1cc(ccn1)COC[C@H]2COC(=O)N2 34a_100011998630_100015307671 [0,1,0,0,0,0|2,0,1]=4 306 B17R2.5296 Cc1cccc(c1)CNCC2COC(=O)O2 34a_100000185548_100000073702 [0,1,0,0,0,0|3,0,0]=4 307 B17R2.5296 Cc1cccc(c1)CNC[C@H]2COC(=O)N2 2230a_100000185548_100015307671 [0,1,0,0,0,0|2,0,1]=4 308 B17R2.5296 Cc1cccc(c1)CNC[C@H]2COC(=O)N2 34a_100000185548_100015307671 [0,1,0,0,0,0|2,0,1]=4 309 B17R2.5296 Cc1cccc(c1)COCC2=CC(=O)OC2 34a_100011217746_100000716558 [0,1,0,0,0,0|2,0,1]=4 310 B17R2.5296 Cc1cccc(c1)COCC2CCC(=O)N2 34a_100000737831_100000211840 [0,1,0,0,0,0|2,0,1]=4 311 B17R2.5296 Cc1cccc(c1)COCC2CNC(=O)C2 34a_100016041077_100000211840 [0,1,0,0,0,0|3,0,0]=4 312 B17R2.5296 Cc1cccc(c1)COCC2CNC(=O)O2 34a_100011217746_100000181169 [0,1,0,0,0,0|3,0,0]=4 313 B17R2.5296 Cc1cccc(c1)COCC2CNC(=O)O2 34a_100011315639_100000211840 [0,1,0,0,0,0|3,0,0]=4 314 B17R2.5296 Cc1cccc(c1)COCC2CNC(=O)O2 7a_100011217746_100000181169 [0,1,0,0,0,0|3,0,0]=4 315 B17R2.5296 Cc1cccc(c1)COCC2COC(=O)O2 34a_100011217746_100000073702 [0,1,0,0,0,0|2,0,0]=3 316 B17R2.5296 Cc1cccc(c1)COC[C@@H]2CCC(=O)N2 7a_100011217746_100015189358 [0,1,0,0,0,0|2,0,1]=4 317 B17R2.5296 Cc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100011217746_100015307671 [0,1,0,0,0,0|1,0,1]=3 318 B17R2.5296 Cc1cccc(c1)COC[C@H]2COC(=O)N2 7a_100011217746_100015307671 [0,1,0,0,0,0|1,0,1]=3 319 B17R2.5296 Cc1cccc(c1)COCc2coc(n2)C 34a_100012017233_100000211840 [0,1,0,0,0,0|1,0,2]=4 320 B17R2.5296 Cc1cccc(c1)COCc2noc(n2)C 34a_100011217746_100000231061 [0,1,0,0,0,0|2,0,1]=4 321 B17R2.5296 Cc1cccc(c1)COCc2noc(n2)C 7a_100011217746_100000231061 [0,1,0,0,0,0|2,0,1]=4 322 B17R2.5296 Cc1cccc(c1)CSCC2COC(=O)O2 62a_100000073702_100000211840 [0,1,0,0,0,0|2,1,0]=4 323 B17R2.5296 Cc1cccc(c1)CSCC2COC(=O)O2 62a_100000211840_100000073702 [0,1,0,0,0,0|2,1,0]=4 324 B17R2.5296 Cc1cccc(c1)CSC[C@H]2COC(=O)N2 62a_100000211840_100015307671 [0,1,0,0,0,0|1,1,1]=4 325 B17R2.5296 Cc1cccc(c1)CSC[C@H]2COC(=O)N2 62a_100015307671_100000211840 [0,1,0,0,0,0|1,1,1]=4 326 B17R2.5296 Cc1cccc(n1)COCC2COC(=O)O2 34a_100000690600_100000073702 [0,1,0,0,0,0|3,0,0]=4 327 B17R2.5296 Cc1cccc(n1)COC[C@H]2COC(=O)N2 34a_100000690600_100015307671 [0,1,0,0,0,0|2,0,1]=4 328 B17R2.5296 Cc1ccnc(c1)COCC2COC(=O)O2 34a_100011998357_100000073702 [0,1,0,0,0,0|3,0,0]=4 329 B17R2.5296 Cc1ccnc(c1)COC[C@H]2COC(=O)N2 34a_100011998357_100015307671 [0,1,0,0,0,0|2,0,1]=4 330 B17R2.5296 Cc1cncc(c1)COCC2COC(=O)O2 34a_100011998709_100000073702 [0,1,0,0,0,0|3,0,0]=4 331 B17R2.5296 Cc1cncc(c1)COC[C@H]2COC(=O)N2 34a_100011998709_100015307671 [0,1,0,0,0,0|2,0,1]=4 332 B17R2.5296 Cc1cncc(c1)COC[C@H]2COC(=O)N2 7a_100011998709_100015307671 [0,1,0,0,0,0|2,0,1]=4 333 B17R2.5296 Cc1nc(co1)COCc2cccc(c2)Br 34a_100012017233_100000698116 [0,1,0,0,0,0|1,0,2]=4 334 B17R2.5296 Cc1nc(co1)COCc2cccc(c2)Cl 34a_100012017233_100000187163 [0,1,0,0,0,0|1,0,2]=4 335 B17R2.5296 Cc1nc(co1)COCc2cccc(c2)F 34a_100012017233_100000187166 [0,1,0,0,0,0|1,0,2]=4 336 B17R2.5296 Cc1nc(co1)COCc2cccc(c2)I 34a_100012017233_100011218688 [0,1,0,0,0,0|1,0,2]=4 337 B17R2.5296 Cc1nc(co1)COCc2cccc(c2)O 34a_100012017233_100011660834 [0,1,0,0,0,0|1,0,2]=4 338 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)Br 34a_100000687537_100000231061 [0,1,0,0,0,0|2,0,1]=4 339 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)Br 7a_100000687537_100000231061 [0,1,0,0,0,0|2,0,1]=4 340 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)Cl 34a_100000241301_100000231061 [0,1,0,0,0,0|2,0,1]=4 341 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)Cl 7a_100000241301_100000231061 [0,1,0,0,0,0|2,0,1]=4 342 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)F 34a_100000210976_100000231061 [0,1,0,0,0,0|2,0,1]=4 343 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)F 7a_100000210976_100000231061 [0,1,0,0,0,0|2,0,1]=4 344 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)I 34a_100011215336_100000231061 [0,1,0,0,0,0|2,0,1]=4 345 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)I 7a_100011215336_100000231061 [0,1,0,0,0,0|2,0,1]=4 346 B17R2.5296 Cc1nc(no1)COCc2cccc(c2)N 34a_100000211919_100000231061 [0,1,0,0,0,0|2,0,1]=4 347 B17R2.5296 Nc1cccc(c1)COCC2=CC(=O)OC2 34a_100000211919_100000716558 [0,1,0,0,0,0|2,0,1]=4 348 B17R2.5296 Nc1cccc(c1)COCC2CNC(=O)O2 34a_100000211919_100000181169 [0,1,0,0,0,0|3,0,0]=4 349 B17R2.5296 Nc1cccc(c1)COCC2COC(=O)O2 34a_100000211919_100000073702 [0,1,0,0,0,0|2,0,0]=3 350 B17R2.5296 Nc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100000211919_100015307671 [0,1,0,0,0,0|1,0,1]=3 351 B17R2.5296 Nc1ccnc(c1)COCC2COC(=O)O2 34a_100000692640_100000073702 [0,1,0,0,0,0|3,0,0]=4 352 B17R2.5296 Nc1ccnc(c1)COC[C@H]2COC(=O)N2 34a_100000692640_100015307671 [0,1,0,0,0,0|2,0,1]=4 353 B17R2.5296 Nc1cncc(c1)COCC2COC(=O)O2 34a_100000085308_100000073702 [0,1,0,0,0,0|3,0,0]=4 354 B17R2.5296 Nc1cncc(c1)COC[C@H]2COC(=O)N2 34a_100000085308_100015307671 [0,1,0,0,0,0|2,0,1]=4 355 B17R2.5296 O=C1C=C(CO1)COCc2cccc(c2)Br 34a_100000687537_100000716558 [0,1,0,0,0,0|2,0,1]=4 356 B17R2.5296 O=C1C=C(CO1)COCc2cccc(c2)Cl 34a_100000241301_100000716558 [0,1,0,0,0,0|2,0,1]=4 357 B17R2.5296 O=C1C=C(CO1)COCc2cccc(c2)F 34a_100000210976_100000716558 [0,1,0,0,0,0|2,0,1]=4 358 B17R2.5296 O=C1C=C(CO1)COCc2cccc(c2)I 34a_100011215336_100000716558 [0,1,0,0,0,0|2,0,1]=4 359 B17R2.5296 O=C1CC(CN1)COCc2cccc(c2)Br 34a_100016041077_100000698116 [0,1,0,0,0,0|3,0,0]=4 360 B17R2.5296 O=C1CC(CN1)COCc2cccc(c2)Cl 34a_100016041077_100000187163 [0,1,0,0,0,0|3,0,0]=4 361 B17R2.5296 O=C1CC(CN1)COCc2cccc(c2)F 34a_100016041077_100000187166 [0,1,0,0,0,0|3,0,0]=4 362 B17R2.5296 O=C1CC(CN1)COCc2cccc(c2)I 34a_100016041077_100011218688 [0,1,0,0,0,0|3,0,0]=4 363 B17R2.5296 O=C1CC(CN1)COCc2cccc(c2)O 34a_100016041077_100011660834 [0,1,0,0,0,0|3,0,0]=4 364 B17R2.5296 O=C1CCC(N1)COCc2cccc(c2)Br 34a_100000737831_100000698116 [0,1,0,0,0,0|2,0,1]=4 365 B17R2.5296 O=C1CCC(N1)COCc2cccc(c2)Cl 34a_100000737831_100000187163 [0,1,0,0,0,0|2,0,1]=4 366 B17R2.5296 O=C1CCC(N1)COCc2cccc(c2)F 34a_100000737831_100000187166 [0,1,0,0,0,0|2,0,1]=4 367 B17R2.5296 O=C1CCC(N1)COCc2cccc(c2)I 34a_100000737831_100011218688 [0,1,0,0,0,0|2,0,1]=4 368 B17R2.5296 O=C1CCC(N1)COCc2cccc(c2)O 34a_100000737831_100011660834 [0,1,0,0,0,0|2,0,1]=4 369 B17R2.5296 O=C1CC[C@H](N1)COCc2cccc(c2)Br 7a_100000687537_100015189358 [0,1,0,0,0,0|2,0,1]=4 370 B17R2.5296 O=C1CC[C@H](N1)COCc2cccc(c2)Cl 7a_100000241301_100015189358 [0,1,0,0,0,0|2,0,1]=4 371 B17R2.5296 O=C1CC[C@H](N1)COCc2cccc(c2)F 7a_100000210976_100015189358 [0,1,0,0,0,0|2,0,1]=4 372 B17R2.5296 O=C1CC[C@H](N1)COCc2cccc(c2)I 7a_100011215336_100015189358 [0,1,0,0,0,0|2,0,1]=4 373 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)Br 34a_100000687537_100000181169 [0,1,0,0,0,0|3,0,0]=4 374 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)Br 34a_100011315639_100000698116 [0,1,0,0,0,0|3,0,0]=4 375 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)Br 7a_100000687537_100000181169 [0,1,0,0,0,0|3,0,0]=4 376 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)Cl 34a_100000241301_100000181169 [0,1,0,0,0,0|3,0,0]=4 377 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)Cl 34a_100011315639_100000187163 [0,1,0,0,0,0|3,0,0]=4 378 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)Cl 7a_100000241301_100000181169 [0,1,0,0,0,0|3,0,0]=4 379 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)F 34a_100000210976_100000181169 [0,1,0,0,0,0|3,0,0]=4 380 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)F 34a_100011315639_100000187166 [0,1,0,0,0,0|3,0,0]=4 381 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)F 7a_100000210976_100000181169 [0,1,0,0,0,0|3,0,0]=4 382 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)I 34a_100011215336_100000181169 [0,1,0,0,0,0|3,0,0]=4 383 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)I 34a_100011315639_100011218688 [0,1,0,0,0,0|3,0,0]=4 384 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)I 7a_100011215336_100000181169 [0,1,0,0,0,0|3,0,0]=4 385 B17R2.5296 O=C1NCC(O1)COCc2cccc(c2)O 34a_100011315639_100011660834 [0,1,0,0,0,0|3,0,0]=4 386 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Br 2230a_100000174977_100015307671 [0,1,0,0,0,0|2,0,1]=4 387 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Br 34a_100000174977_100015307671 [0,1,0,0,0,0|2,0,1]=4 388 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Cl 2230a_100000174878_100015307671 [0,1,0,0,0,0|2,0,1]=4 389 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Cl 34a_100000174878_100015307671 [0,1,0,0,0,0|2,0,1]=4 390 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)F 2230a_100000174948_100015307671 [0,1,0,0,0,0|2,0,1]=4 391 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)F 34a_100000174948_100015307671 [0,1,0,0,0,0|2,0,1]=4 392 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)I 2230a_100000106179_100015307671 [0,1,0,0,0,0|2,0,1]=4 393 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)I 34a_100000106179_100015307671 [0,1,0,0,0,0|2,0,1]=4 394 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)O 2230a_100000743036_100015307671 [0,1,0,0,0,0|2,0,1]=4 395 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)O 34a_100000743036_100015307671 [0,1,0,0,0,0|2,0,1]=4 396 B17R2.5296 O=C1N[C@H](CO1)COCc2cc(ccn2)Cl 34a_100000748867_100015307671 [0,1,0,0,0,0|2,0,1]=4 397 B17R2.5296 O=C1N[C@H](CO1)COCc2ccc[n+](c2)[O-] 34a_100000037817_100015307671 [0,1,0,0,0,0|2,0,1]=4 398 B17R2.5296 O=C1N[C@H](CO1)COCc2ccc[n+](c2)[O-] 7a_100000037817_100015307671 [0,1,0,0,0,0|2,0,1]=4 399 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Br 34a_100000687537_100015307671 [0,1,0,0,0,0|1,0,1]=3 400 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Br 7a_100000687537_100015307671 [0,1,0,0,0,0|1,0,1]=3 401 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Cl 34a_100000241301_100015307671 [0,1,0,0,0,0|1,0,1]=3 402 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Cl 7a_100000241301_100015307671 [0,1,0,0,0,0|1,0,1]=3 403 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)F 34a_100000210976_100015307671 [0,1,0,0,0,0|1,0,1]=3 404 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)F 7a_100000210976_100015307671 [0,1,0,0,0,0|1,0,1]=3 405 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)I 34a_100011215336_100015307671 [0,1,0,0,0,0|1,0,1]=3 406 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)I 7a_100011215336_100015307671 [0,1,0,0,0,0|1,0,1]=3 407 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(n2)Br 34a_100000694195_100015307671 [0,1,0,0,0,0|2,0,1]=4 408 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(n2)Cl 34a_100011998359_100015307671 [0,1,0,0,0,0|2,0,1]=4 409 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(n2)F 34a_100000086748_100015307671 [0,1,0,0,0,0|2,0,1]=4 410 B17R2.5296 O=C1N[C@H](CO1)COCc2ccnc(c2)Br 34a_100009814636_100015307671 [0,1,0,0,0,0|2,0,1]=4 411 B17R2.5296 O=C1N[C@H](CO1)COCc2ccnc(c2)Br 7a_100009814636_100015307671 [0,1,0,0,0,0|2,0,1]=4 412 B17R2.5296 O=C1N[C@H](CO1)COCc2ccnc(c2)Cl 34a_100000748751_100015307671 [0,1,0,0,0,0|2,0,1]=4 413 B17R2.5296 O=C1N[C@H](CO1)COCc2ccnc(c2)F 34a_100000082451_100015307671 [0,1,0,0,0,0|2,0,1]=4 414 B17R2.5296 O=C1N[C@H](CO1)COCc2cncc(c2)Br 34a_100011259137_100015307671 [0,1,0,0,0,0|2,0,1]=4 415 B17R2.5296 O=C1N[C@H](CO1)COCc2cncc(c2)Br 7a_100011259137_100015307671 [0,1,0,0,0,0|2,0,1]=4 416 B17R2.5296 O=C1N[C@H](CO1)COCc2cncc(c2)Cl 34a_100000092867_100015307671 [0,1,0,0,0,0|2,0,1]=4 417 B17R2.5296 O=C1N[C@H](CO1)COCc2cncc(c2)Cl 7a_100000092867_100015307671 [0,1,0,0,0,0|2,0,1]=4 418 B17R2.5296 O=C1N[C@H](CO1)COCc2cncc(c2)F 34a_100011962875_100015307671 [0,1,0,0,0,0|2,0,1]=4 419 B17R2.5296 O=C1N[C@H](CO1)COCc2cncc(c2)F 7a_100011962875_100015307671 [0,1,0,0,0,0|2,0,1]=4 420 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Br 62a_100000211773_100015307671 [0,1,0,0,0,0|1,1,1]=4 421 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Br 62a_100015307671_100000211773 [0,1,0,0,0,0|1,1,1]=4 422 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Cl 62a_100000187163_100015307671 [0,1,0,0,0,0|1,1,1]=4 423 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Cl 62a_100015307671_100000187163 [0,1,0,0,0,0|1,1,1]=4 424 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)F 62a_100000230114_100015307671 [0,1,0,0,0,0|1,1,1]=4 425 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)F 62a_100015307671_100000230114 [0,1,0,0,0,0|1,1,1]=4 426 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)I 62a_100011218688_100015307671 [0,1,0,0,0,0|1,1,1]=4 427 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)I 62a_100015307671_100011218688 [0,1,0,0,0,0|1,1,1]=4 428 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)O 62a_100011660834_100015307671 [0,1,0,0,0,0|1,1,1]=4 429 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)O 62a_100015307671_100011660834 [0,1,0,0,0,0|1,1,1]=4 430 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)Br 34a_100000174977_100000073702 [0,1,0,0,0,0|3,0,0]=4 431 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)Cl 34a_100000174878_100000073702 [0,1,0,0,0,0|3,0,0]=4 432 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)F 34a_100000174948_100000073702 [0,1,0,0,0,0|3,0,0]=4 433 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)I 34a_100000106179_100000073702 [0,1,0,0,0,0|3,0,0]=4 434 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)O 34a_100000743036_100000073702 [0,1,0,0,0,0|3,0,0]=4 435 B17R2.5296 O=C1OCC(O1)COCc2cc(ccn2)Cl 34a_100000748867_100000073702 [0,1,0,0,0,0|3,0,0]=4 436 B17R2.5296 O=C1OCC(O1)COCc2ccc[n+](c2)[O-] 34a_100000037817_100000073702 [0,1,0,0,0,0|3,0,0]=4 437 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)Br 34a_100000687537_100000073702 [0,1,0,0,0,0|2,0,0]=3 438 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)Cl 34a_100000241301_100000073702 [0,1,0,0,0,0|2,0,0]=3 439 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)F 34a_100000210976_100000073702 [0,1,0,0,0,0|2,0,0]=3 440 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)I 34a_100011215336_100000073702 [0,1,0,0,0,0|2,0,0]=3 441 B17R2.5296 O=C1OCC(O1)COCc2cccc(n2)Br 34a_100000694195_100000073702 [0,1,0,0,0,0|3,0,0]=4 442 B17R2.5296 O=C1OCC(O1)COCc2cccc(n2)Cl 34a_100011998359_100000073702 [0,1,0,0,0,0|3,0,0]=4 443 B17R2.5296 O=C1OCC(O1)COCc2cccc(n2)F 34a_100000086748_100000073702 [0,1,0,0,0,0|3,0,0]=4 444 B17R2.5296 O=C1OCC(O1)COCc2ccnc(c2)Br 34a_100009814636_100000073702 [0,1,0,0,0,0|3,0,0]=4 445 B17R2.5296 O=C1OCC(O1)COCc2ccnc(c2)Cl 34a_100000748751_100000073702 [0,1,0,0,0,0|3,0,0]=4 446 B17R2.5296 O=C1OCC(O1)COCc2ccnc(c2)F 34a_100000082451_100000073702 [0,1,0,0,0,0|3,0,0]=4 447 B17R2.5296 O=C1OCC(O1)COCc2cncc(c2)Br 34a_100011259137_100000073702 [0,1,0,0,0,0|3,0,0]=4 448 B17R2.5296 O=C1OCC(O1)COCc2cncc(c2)Cl 34a_100000092867_100000073702 [0,1,0,0,0,0|3,0,0]=4 449 B17R2.5296 O=C1OCC(O1)COCc2cncc(c2)F 34a_100011962875_100000073702 [0,1,0,0,0,0|3,0,0]=4 450 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Br 62a_100000073702_100000211773 [0,1,0,0,0,0|2,1,0]=4 451 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Br 62a_100000211773_100000073702 [0,1,0,0,0,0|2,1,0]=4 452 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Cl 62a_100000073702_100000187163 [0,1,0,0,0,0|2,1,0]=4 453 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Cl 62a_100000187163_100000073702 [0,1,0,0,0,0|2,1,0]=4 454 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)F 62a_100000073702_100000230114 [0,1,0,0,0,0|2,1,0]=4 455 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)F 62a_100000230114_100000073702 [0,1,0,0,0,0|2,1,0]=4 456 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)I 62a_100000073702_100011218688 [0,1,0,0,0,0|2,1,0]=4 457 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)I 62a_100011218688_100000073702 [0,1,0,0,0,0|2,1,0]=4 458 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)O 62a_100000073702_100011660834 [0,1,0,0,0,0|2,1,0]=4 459 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)O 62a_100011660834_100000073702 [0,1,0,0,0,0|2,1,0]=4 460 B17R2.18638 Cc1ccccc1CNCC2COC(=O)O2 34a_100000174972_100000073702 [0,1,0,0,0,0|3,0,0]=4 461 B17R2.18638 Cc1ccccc1CNC[C@H]2COC(=O)N2 34a_100000174972_100015307671 [0,1,0,0,0,0|2,0,1]=4 462 B17R2.18638 Cc1ccccc1COCC2=CC(=O)OC2 34a_100000698903_100000716558 [0,1,0,0,0,0|2,0,1]=4 463 B17R2.18638 Cc1ccccc1COCC2CCC(=O)N2 34a_100000737831_100000211839 [0,1,0,0,0,0|2,0,1]=4 464 B17R2.18638 Cc1ccccc1COCC2CNC(=O)C2 34a_100016041077_100000211839 [0,1,0,0,0,0|3,0,0]=4 465 B17R2.18638 Cc1ccccc1COCC2CNC(=O)O2 34a_100000698903_100000181169 [0,1,0,0,0,0|3,0,0]=4 466 B17R2.18638 Cc1ccccc1COCC2CNC(=O)O2 34a_100011315639_100000211839 [0,1,0,0,0,0|3,0,0]=4 467 B17R2.18638 Cc1ccccc1COCC2CNC(=O)O2 7a_100000698903_100000181169 [0,1,0,0,0,0|3,0,0]=4 468 B17R2.18638 Cc1ccccc1COCC2COC(=O)O2 34a_100000698903_100000073702 [0,1,0,0,0,0|2,0,0]=3 469 B17R2.18638 Cc1ccccc1COC[C@@H]2CCC(=O)N2 7a_100000698903_100015189358 [0,1,0,0,0,0|2,0,1]=4 470 B17R2.18638 Cc1ccccc1COC[C@H]2COC(=O)N2 34a_100000698903_100015307671 [0,1,0,0,0,0|1,0,1]=3 471 B17R2.18638 Cc1ccccc1COC[C@H]2COC(=O)N2 7a_100000698903_100015307671 [0,1,0,0,0,0|1,0,1]=3 472 B17R2.18638 Cc1ccccc1CSCC2COC(=O)O2 62a_100000073702_100000211839 [0,1,0,0,0,0|2,1,0]=4 473 B17R2.18638 Cc1ccccc1CSCC2COC(=O)O2 62a_100000211839_100000073702 [0,1,0,0,0,0|2,1,0]=4 474 B17R2.18638 Cc1ccccc1CSC[C@H]2COC(=O)N2 62a_100000211839_100015307671 [0,1,0,0,0,0|1,1,1]=4 475 B17R2.18638 Cc1ccccc1CSC[C@H]2COC(=O)N2 62a_100015307671_100000211839 [0,1,0,0,0,0|1,1,1]=4 476 B17R2.18638 Cc1cccnc1COCC2COC(=O)O2 34a_100000698912_100000073702 [0,1,0,0,0,0|3,0,0]=4 477 B17R2.18638 Cc1cccnc1COC[C@H]2COC(=O)N2 34a_100000698912_100015307671 [0,1,0,0,0,0|2,0,1]=4 478 B17R2.18638 Cc1ccncc1COCC2COC(=O)O2 34a_100011996381_100000073702 [0,1,0,0,0,0|3,0,0]=4 479 B17R2.18638 Cc1ccncc1COC[C@H]2COC(=O)N2 34a_100011996381_100015307671 [0,1,0,0,0,0|2,0,1]=4 480 B17R2.18638 Cc1cnccc1COCC2COC(=O)O2 34a_100011997032_100000073702 [0,1,0,0,0,0|3,0,0]=4 481 B17R2.18638 Cc1cnccc1COC[C@H]2COC(=O)N2 34a_100011997032_100015307671 [0,1,0,0,0,0|2,0,1]=4 482 B17R2.18638 Cc1nc(co1)COCc2ccccc2Br 34a_100012017233_100000184730 [0,1,0,0,0,0|1,0,2]=4 483 B17R2.18638 Cc1nc(co1)COCc2ccccc2C 34a_100012017233_100000211839 [0,1,0,0,0,0|1,0,2]=4 484 B17R2.18638 Cc1nc(co1)COCc2ccccc2Cl 34a_100012017233_100000187162 [0,1,0,0,0,0|1,0,2]=4 485 B17R2.18638 Cc1nc(co1)COCc2ccccc2F 34a_100012017233_100000211605 [0,1,0,0,0,0|1,0,2]=4 486 B17R2.18638 Cc1nc(co1)COCc2ccccc2I 34a_100012017233_100011215278 [0,1,0,0,0,0|1,0,2]=4 487 B17R2.18638 Cc1nc(no1)COCc2ccccc2Br 34a_100000756307_100000231061 [0,1,0,0,0,0|2,0,1]=4 488 B17R2.18638 Cc1nc(no1)COCc2ccccc2Br 7a_100000756307_100000231061 [0,1,0,0,0,0|2,0,1]=4 489 B17R2.18638 Cc1nc(no1)COCc2ccccc2C 34a_100000698903_100000231061 [0,1,0,0,0,0|2,0,1]=4 490 B17R2.18638 Cc1nc(no1)COCc2ccccc2C 7a_100000698903_100000231061 [0,1,0,0,0,0|2,0,1]=4 491 B17R2.18638 Cc1nc(no1)COCc2ccccc2Cl 34a_100000210847_100000231061 [0,1,0,0,0,0|2,0,1]=4 492 B17R2.18638 Cc1nc(no1)COCc2ccccc2Cl 7a_100000210847_100000231061 [0,1,0,0,0,0|2,0,1]=4 493 B17R2.18638 Cc1nc(no1)COCc2ccccc2F 34a_100000211962_100000231061 [0,1,0,0,0,0|2,0,1]=4 494 B17R2.18638 Cc1nc(no1)COCc2ccccc2F 7a_100000211962_100000231061 [0,1,0,0,0,0|2,0,1]=4 495 B17R2.18638 Cc1nc(no1)COCc2ccccc2I 34a_100000187465_100000231061 [0,1,0,0,0,0|2,0,1]=4 496 B17R2.18638 Cc1nc(no1)COCc2ccccc2I 7a_100000187465_100000231061 [0,1,0,0,0,0|2,0,1]=4 497 B17R2.18638 Cc1nc(no1)COCc2ccccc2N 34a_100000212039_100000231061 [0,1,0,0,0,0|2,0,1]=4 498 B17R2.18638 Cc1ncccc1COCC2COC(=O)O2 34a_100000729262_100000073702 [0,1,0,0,0,0|3,0,0]=4 499 B17R2.18638 Cc1ncccc1COC[C@H]2COC(=O)N2 34a_100000729262_100015307671 [0,1,0,0,0,0|2,0,1]=4 500 B17R2.18638 Cc1ncccc1COC[C@H]2COC(=O)N2 7a_100000729262_100015307671 [0,1,0,0,0,0|2,0,1]=4 501 B17R2.18638 Nc1ccccc1COCC2=CC(=O)OC2 34a_100000212039_100000716558 [0,1,0,0,0,0|2,0,1]=4 502 B17R2.18638 Nc1ccccc1COCC2CNC(=O)O2 34a_100000212039_100000181169 [0,1,0,0,0,0|3,0,0]=4 503 B17R2.18638 Nc1ccccc1COCC2COC(=O)O2 34a_100000212039_100000073702 [0,1,0,0,0,0|2,0,0]=3 504 B17R2.18638 Nc1ccccc1COC[C@H]2COC(=O)N2 34a_100000212039_100015307671 [0,1,0,0,0,0|1,0,1]=3 505 B17R2.18638 Nc1cccnc1COCC2COC(=O)O2 34a_114873767017_100000073702 [0,1,0,0,0,0|3,0,0]=4 506 B17R2.18638 Nc1cccnc1COC[C@H]2COC(=O)N2 34a_114873767017_100015307671 [0,1,0,0,0,0|2,0,1]=4 507 B17R2.18638 O=C1C=C(CO1)COCc2ccccc2Br 34a_100000756307_100000716558 [0,1,0,0,0,0|2,0,1]=4 508 B17R2.18638 O=C1C=C(CO1)COCc2ccccc2Cl 34a_100000210847_100000716558 [0,1,0,0,0,0|2,0,1]=4 509 B17R2.18638 O=C1C=C(CO1)COCc2ccccc2F 34a_100000211962_100000716558 [0,1,0,0,0,0|2,0,1]=4 510 B17R2.18638 O=C1C=C(CO1)COCc2ccccc2I 34a_100000187465_100000716558 [0,1,0,0,0,0|2,0,1]=4 511 B17R2.18638 O=C1CC(CN1)COCc2ccccc2Br 34a_100016041077_100000184730 [0,1,0,0,0,0|3,0,0]=4 512 B17R2.18638 O=C1CC(CN1)COCc2ccccc2Cl 34a_100016041077_100000187162 [0,1,0,0,0,0|3,0,0]=4 513 B17R2.18638 O=C1CC(CN1)COCc2ccccc2F 34a_100016041077_100000211605 [0,1,0,0,0,0|3,0,0]=4 514 B17R2.18638 O=C1CC(CN1)COCc2ccccc2I 34a_100016041077_100011215278 [0,1,0,0,0,0|3,0,0]=4 515 B17R2.18638 O=C1CCC(N1)COCc2ccccc2Br 34a_100000737831_100000184730 [0,1,0,0,0,0|2,0,1]=4 516 B17R2.18638 O=C1CCC(N1)COCc2ccccc2Cl 34a_100000737831_100000187162 [0,1,0,0,0,0|2,0,1]=4 517 B17R2.18638 O=C1CCC(N1)COCc2ccccc2F 34a_100000737831_100000211605 [0,1,0,0,0,0|2,0,1]=4 518 B17R2.18638 O=C1CCC(N1)COCc2ccccc2I 34a_100000737831_100011215278 [0,1,0,0,0,0|2,0,1]=4 519 B17R2.18638 O=C1CC[C@H](N1)COCc2ccccc2Br 7a_100000756307_100015189358 [0,1,0,0,0,0|2,0,1]=4 520 B17R2.18638 O=C1CC[C@H](N1)COCc2ccccc2Cl 7a_100000210847_100015189358 [0,1,0,0,0,0|2,0,1]=4 521 B17R2.18638 O=C1CC[C@H](N1)COCc2ccccc2F 7a_100000211962_100015189358 [0,1,0,0,0,0|2,0,1]=4 522 B17R2.18638 O=C1CC[C@H](N1)COCc2ccccc2I 7a_100000187465_100015189358 [0,1,0,0,0,0|2,0,1]=4 523 B17R2.18638 O=C1NCC(O1)COCc2ccccc2Br 34a_100000756307_100000181169 [0,1,0,0,0,0|3,0,0]=4 524 B17R2.18638 O=C1NCC(O1)COCc2ccccc2Br 34a_100011315639_100000184730 [0,1,0,0,0,0|3,0,0]=4 525 B17R2.18638 O=C1NCC(O1)COCc2ccccc2Br 7a_100000756307_100000181169 [0,1,0,0,0,0|3,0,0]=4 526 B17R2.18638 O=C1NCC(O1)COCc2ccccc2Cl 34a_100000210847_100000181169 [0,1,0,0,0,0|3,0,0]=4 527 B17R2.18638 O=C1NCC(O1)COCc2ccccc2Cl 34a_100011315639_100000187162 [0,1,0,0,0,0|3,0,0]=4 528 B17R2.18638 O=C1NCC(O1)COCc2ccccc2Cl 7a_100000210847_100000181169 [0,1,0,0,0,0|3,0,0]=4 529 B17R2.18638 O=C1NCC(O1)COCc2ccccc2F 34a_100000211962_100000181169 [0,1,0,0,0,0|3,0,0]=4 530 B17R2.18638 O=C1NCC(O1)COCc2ccccc2F 34a_100011315639_100000211605 [0,1,0,0,0,0|3,0,0]=4 531 B17R2.18638 O=C1NCC(O1)COCc2ccccc2F 7a_100000211962_100000181169 [0,1,0,0,0,0|3,0,0]=4 532 B17R2.18638 O=C1NCC(O1)COCc2ccccc2I 34a_100000187465_100000181169 [0,1,0,0,0,0|3,0,0]=4 533 B17R2.18638 O=C1NCC(O1)COCc2ccccc2I 34a_100011315639_100011215278 [0,1,0,0,0,0|3,0,0]=4 534 B17R2.18638 O=C1NCC(O1)COCc2ccccc2I 7a_100000187465_100000181169 [0,1,0,0,0,0|3,0,0]=4 535 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Br 2230a_100000689332_100015307671 [0,1,0,0,0,0|2,0,1]=4 536 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Br 34a_100000689332_100015307671 [0,1,0,0,0,0|2,0,1]=4 537 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Cl 2230a_100000174879_100015307671 [0,1,0,0,0,0|2,0,1]=4 538 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Cl 34a_100000174879_100015307671 [0,1,0,0,0,0|2,0,1]=4 539 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2F 34a_100000174869_100015307671 [0,1,0,0,0,0|2,0,1]=4 540 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2O 34a_100000185550_100015307671 [0,1,0,0,0,0|2,0,1]=4 541 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Br 34a_100000756307_100015307671 [0,1,0,0,0,0|1,0,1]=3 542 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Br 7a_100000756307_100015307671 [0,1,0,0,0,0|1,0,1]=3 543 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Cl 34a_100000210847_100015307671 [0,1,0,0,0,0|1,0,1]=3 544 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Cl 7a_100000210847_100015307671 [0,1,0,0,0,0|1,0,1]=3 545 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2F 34a_100000211962_100015307671 [0,1,0,0,0,0|1,0,1]=3 546 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2F 7a_100000211962_100015307671 [0,1,0,0,0,0|1,0,1]=3 547 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2I 34a_100000187465_100015307671 [0,1,0,0,0,0|1,0,1]=3 548 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2I 7a_100000187465_100015307671 [0,1,0,0,0,0|1,0,1]=3 549 B17R2.18638 O=C1N[C@H](CO1)COCc2cccnc2Br 34a_100000719692_100015307671 [0,1,0,0,0,0|2,0,1]=4 550 B17R2.18638 O=C1N[C@H](CO1)COCc2cccnc2Br 7a_100000719692_100015307671 [0,1,0,0,0,0|2,0,1]=4 551 B17R2.18638 O=C1N[C@H](CO1)COCc2cccnc2Cl 34a_100000748726_100015307671 [0,1,0,0,0,0|2,0,1]=4 552 B17R2.18638 O=C1N[C@H](CO1)COCc2cccnc2Cl 7a_100000748726_100015307671 [0,1,0,0,0,0|2,0,1]=4 553 B17R2.18638 O=C1N[C@H](CO1)COCc2cccnc2F 34a_100000079888_100015307671 [0,1,0,0,0,0|2,0,1]=4 554 B17R2.18638 O=C1N[C@H](CO1)COCc2cccnc2F 7a_100000079888_100015307671 [0,1,0,0,0,0|2,0,1]=4 555 B17R2.18638 O=C1N[C@H](CO1)COCc2ccncc2F 34a_100012172863_100015307671 [0,1,0,0,0,0|2,0,1]=4 556 B17R2.18638 O=C1N[C@H](CO1)COCc2cnccc2Cl 34a_100000117392_100015307671 [0,1,0,0,0,0|2,0,1]=4 557 B17R2.18638 O=C1N[C@H](CO1)COCc2ncccc2Br 34a_100011996772_100015307671 [0,1,0,0,0,0|2,0,1]=4 558 B17R2.18638 O=C1N[C@H](CO1)COCc2ncccc2Cl 34a_100012002383_100015307671 [0,1,0,0,0,0|2,0,1]=4 559 B17R2.18638 O=C1N[C@H](CO1)COCc2ncccc2F 34a_100011934865_100015307671 [0,1,0,0,0,0|2,0,1]=4 560 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Br 62a_100000184730_100015307671 [0,1,0,0,0,0|1,1,1]=4 561 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Br 62a_100015307671_100000184730 [0,1,0,0,0,0|1,1,1]=4 562 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Cl 62a_100000187162_100015307671 [0,1,0,0,0,0|1,1,1]=4 563 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Cl 62a_100015307671_100000187162 [0,1,0,0,0,0|1,1,1]=4 564 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2F 62a_100000211605_100015307671 [0,1,0,0,0,0|1,1,1]=4 565 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2F 62a_100015307671_100000211605 [0,1,0,0,0,0|1,1,1]=4 566 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2I 62a_100011216222_100015307671 [0,1,0,0,0,0|1,1,1]=4 567 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2I 62a_100015307671_100011216222 [0,1,0,0,0,0|1,1,1]=4 568 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2Br 34a_100000689332_100000073702 [0,1,0,0,0,0|3,0,0]=4 569 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2Cl 34a_100000174879_100000073702 [0,1,0,0,0,0|3,0,0]=4 570 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2F 34a_100000174869_100000073702 [0,1,0,0,0,0|3,0,0]=4 571 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2O 34a_100000185550_100000073702 [0,1,0,0,0,0|3,0,0]=4 572 B17R2.18638 O=C1OCC(O1)COCc2ccccc2Br 34a_100000756307_100000073702 [0,1,0,0,0,0|2,0,0]=3 573 B17R2.18638 O=C1OCC(O1)COCc2ccccc2Cl 34a_100000210847_100000073702 [0,1,0,0,0,0|2,0,0]=3 574 B17R2.18638 O=C1OCC(O1)COCc2ccccc2F 34a_100000211962_100000073702 [0,1,0,0,0,0|2,0,0]=3 575 B17R2.18638 O=C1OCC(O1)COCc2ccccc2I 34a_100000187465_100000073702 [0,1,0,0,0,0|2,0,0]=3 576 B17R2.18638 O=C1OCC(O1)COCc2cccnc2Br 34a_100000719692_100000073702 [0,1,0,0,0,0|3,0,0]=4 577 B17R2.18638 O=C1OCC(O1)COCc2cccnc2Cl 34a_100000748726_100000073702 [0,1,0,0,0,0|3,0,0]=4 578 B17R2.18638 O=C1OCC(O1)COCc2cccnc2F 34a_100000079888_100000073702 [0,1,0,0,0,0|3,0,0]=4 579 B17R2.18638 O=C1OCC(O1)COCc2ccncc2F 34a_100012172863_100000073702 [0,1,0,0,0,0|3,0,0]=4 580 B17R2.18638 O=C1OCC(O1)COCc2cnccc2Cl 34a_100000117392_100000073702 [0,1,0,0,0,0|3,0,0]=4 581 B17R2.18638 O=C1OCC(O1)COCc2ncccc2Br 34a_100011996772_100000073702 [0,1,0,0,0,0|3,0,0]=4 582 B17R2.18638 O=C1OCC(O1)COCc2ncccc2Cl 34a_100012002383_100000073702 [0,1,0,0,0,0|3,0,0]=4 583 B17R2.18638 O=C1OCC(O1)COCc2ncccc2F 34a_100011934865_100000073702 [0,1,0,0,0,0|3,0,0]=4 584 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Br 62a_100000073702_100000184730 [0,1,0,0,0,0|2,1,0]=4 585 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Br 62a_100000184730_100000073702 [0,1,0,0,0,0|2,1,0]=4 586 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Cl 62a_100000073702_100000187162 [0,1,0,0,0,0|2,1,0]=4 587 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Cl 62a_100000187162_100000073702 [0,1,0,0,0,0|2,1,0]=4 588 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2F 62a_100000073702_100000211605 [0,1,0,0,0,0|2,1,0]=4 589 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2F 62a_100000211605_100000073702 [0,1,0,0,0,0|2,1,0]=4 590 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2I 62a_100000073702_100011216222 [0,1,0,0,0,0|2,1,0]=4 591 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2I 62a_100011216222_100000073702 [0,1,0,0,0,0|2,1,0]=4 592 B17R2.20821 CC1(OCC(O1)COCc2ccccc2)C 34a_100000729170_100015291786 [0,1,0,0,0,0|2,0,1]=4 593 B17R2.20821 CC1(OCC(O1)COCc2ccccc2)C 7a_100000729170_100000211182 [0,1,0,0,0,0|2,0,1]=4 594 B17R2.20821 CC1(OC[C@@H](O1)COCc2ccccc2)C 7a_100000210790_100015422573 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.157 CC(COCF)COCc1ccccc1 34a_200011216033_100015361967 [0,0,1,0,0,0|2,0,1]=4 596 B15R1.157 CC(COCF)COCc1ccccc1 7a_200011216033_100015361967 [0,0,1,0,0,0|2,0,1]=4 597 B15R1.157 CCOCC(C)COCc1ccccc1 34a_100121572206_100011216253 [0,0,1,0,0,0|2,0,1]=4 598 B15R1.157 CCOCC(C)COCc1ccccc1 34a_200011216033_100000210202 [0,0,1,0,0,0|2,0,1]=4 599 B15R1.157 CCOCC(C)COCc1ccccc1 7a_200011216033_100000210202 [0,0,1,0,0,0|2,0,1]=4 600 B15R1.157 CCOC[C@@H](N)COCc1ccccc1 34a_100016995297_100000210202 [0,0,1,0,0,0|1,0,2]=4 601 B15R1.157 N[C@H](COCF)COCc1ccccc1 34a_100016995297_100015361967 [0,0,1,0,0,0|1,0,2]=4 602 B15R1.504 CC(=O)CCCCOCc1ccccc1 1458a_100000070787_100011219843 [0,0,1,0,0,0|3,0,0]=4 603 B15R1.504 CC(=O)CCCCOCc1ccccc1 34a_100000210790_100009817362 [0,0,1,0,0,0|3,0,0]=4 604 B15R1.504 CC(=O)CCCCOCc1ccccc1 7a_100000210790_100000735457 [0,0,1,0,0,0|3,0,0]=4 605 B15R1.504 CC(=O)NCCCOCc1ccccc1 11a_200000206031_100015343762 [0,0,1,0,0,0|3,0,0]=4 606 B15R1.504 CC(=O)NCCCOCc1ccccc1 1626a_200000206031_100015343762 [0,0,1,0,0,0|3,0,0]=4 607 B15R1.504 CC(=O)NCCCOCc1ccccc1 240690a_200000206031_100015343762 [0,0,1,0,0,0|3,0,0]=4 608 B15R1.504 CC(=O)NCCCOCc1ccccc1 34a_100000752032_100015291786 [0,0,1,0,0,0|3,0,0]=4 609 B15R1.504 CC(=O)NCCCOCc1ccccc1 527a_200000206031_100103153847 [0,0,1,0,0,0|3,0,0]=4 610 B15R1.504 CC(=O)OCCCNCc1ccccc1 34a_100015324214_100000042594 [0,0,1,0,0,0|3,0,0]=4 611 B15R1.504 CC(=O)OCCCOCc1ccccc1 34a_100000210790_100000042594 [0,0,1,0,0,0|2,0,0]=3 612 B15R1.504 CC(=O)OCCCOCc1ccccc1 7a_100000210790_100000042594 [0,0,1,0,0,0|2,0,0]=3 613 B15R1.504 CC(=O)OCCCSCc1ccccc1 62a_100000042594_100015291786 [0,0,1,0,0,0|2,1,0]=4 614 B15R1.504 CC(=O)OCCCSCc1ccccc1 62a_100000211182_100000042594 [0,0,1,0,0,0|2,1,0]=4 615 B15R1.504 CC(=O)OCSCOCc1ccccc1 62a_100000076356_100000763385 [0,0,1,0,0,0|3,0,0]=4 616 B15R1.504 CC(=O)OCSCOCc1ccccc1 62a_100000763385_100000076356 [0,0,1,0,0,0|3,0,0]=4 617 B15R1.504 CC(=O)SCCCOCc1ccccc1 34a_100000210790_100000038929 [0,0,1,0,0,0|2,1,0]=4 618 B15R1.504 CC(=O)SCCCOCc1ccccc1 7a_100000210790_100000038929 [0,0,1,0,0,0|2,1,0]=4 619 B15R1.504 CC(=S)OCCCNCc1ccccc1 2230a_100015324214_200135323944 [0,0,1,0,0,0|3,0,0]=4 620 B15R1.504 CC(=S)OCCCNCc1ccccc1 34a_100015324214_200135323944 [0,0,1,0,0,0|3,0,0]=4 621 B15R1.504 CC(=S)OCCCOCc1ccccc1 34a_100000210790_200135323944 [0,0,1,0,0,0|2,0,0]=3 622 B15R1.504 CC(=S)OCCCOCc1ccccc1 7a_100000210790_200135323944 [0,0,1,0,0,0|2,0,0]=3 623 B15R1.504 CC(=S)OCCCSCc1ccccc1 62a_100000211182_200135323944 [0,0,1,0,0,0|2,1,0]=4 624 B15R1.504 CC(=S)OCCCSCc1ccccc1 62a_200135323944_100015291786 [0,0,1,0,0,0|2,1,0]=4 625 B15R1.504 CC(C)OCCCOCc1ccccc1 34a_100000212225_100011215529 [0,0,1,0,0,0|2,0,1]=4 626 B15R1.504 CC(C)OCCCOCc1ccccc1 34a_100000691849_100000210206 [0,0,1,0,0,0|2,0,1]=4 627 B15R1.504 CC(C)OCCCOCc1ccccc1 7a_100000691849_100000210206 [0,0,1,0,0,0|2,0,1]=4 628 B15R1.504 NC(=O)CCCCNCc1ccccc1 207a_100000696515_100015611070 [0,0,1,0,0,0|3,0,0]=4 629 B15R1.504 NC(=O)CCCCNCc1ccccc1 270004a_100000696515_100015611070 [0,0,1,0,0,0|3,0,0]=4 630 B15R1.504 NC(=O)CCCCNCc1ccccc1 34a_100000696515_100015291786 [0,0,1,0,0,0|3,0,0]=4 631 B15R1.504 NC(=O)CCCCOCc1ccccc1 34a_100012022536_100015291786 [0,0,1,0,0,0|2,0,0]=3 632 B15R1.504 NC(=O)CCCCOCc1ccccc1 7a_100012022536_100000211182 [0,0,1,0,0,0|2,0,0]=3 633 B15R1.504 NC(=O)CCCCOCc1ccccn1 34a_100012022536_100000721315 [0,0,1,0,0,0|3,0,0]=4 634 B15R1.504 NC(=O)CCCCOCc1ccccn1 7a_100012022536_100000721315 [0,0,1,0,0,0|3,0,0]=4 635 B15R1.504 NC(=O)CCCCOCc1cccnc1 34a_100012022536_100000733263 [0,0,1,0,0,0|3,0,0]=4 636 B15R1.504 NC(=O)CCCCOCc1cccnc1 7a_100012022536_100000741622 [0,0,1,0,0,0|3,0,0]=4 637 B15R1.504 NC(=O)CCCCOCc1ccncc1 7a_100012022536_100015193705 [0,0,1,0,0,0|3,0,0]=4 638 B15R1.504 NC(=O)CCOCOCc1ccccc1 34a_100000757172_100000763385 [0,0,1,0,0,0|3,0,0]=4 639 B15R1.504 NC(=O)CCSCOCc1ccccc1 62a_100000744528_100000763385 [0,0,1,0,0,0|3,0,0]=4 640 B15R1.504 NC(=O)CCSCOCc1ccccc1 62a_100000763385_100000744528 [0,0,1,0,0,0|3,0,0]=4 641 B15R1.504 NC(=O)CNCCOCc1ccccc1 2230a_100000711301_100000234347 [0,0,1,0,0,0|3,0,0]=4 642 B15R1.504 NC(=O)CNCCOCc1ccccc1 2230a_100000753106_100000747473 [0,0,1,0,0,0|3,0,0]=4 643 B15R1.504 NC(=O)CNCCOCc1ccccc1 34a_100000753106_100000187820 [0,0,1,0,0,0|3,0,0]=4 644 B15R1.504 NC(=O)COCCOCc1ccccc1 34a_100000210790_100000076697 [0,0,1,0,0,0|3,0,0]=4 645 B15R1.504 NC(=O)COCCOCc1ccccc1 34a_100000759325_100000187820 [0,0,1,0,0,0|3,0,0]=4 646 B15R1.504 NC(=O)COCCOCc1ccccc1 7a_100000210790_100000076697 [0,0,1,0,0,0|3,0,0]=4 647 B15R1.504 NC(=O)COCCOCc1ccccc1 7a_100000759325_100000187820 [0,0,1,0,0,0|3,0,0]=4 648 B15R1.504 NC(=O)CSCCOCc1ccccc1 62a_100000234347_100000747473 [0,0,1,0,0,0|3,0,0]=4 649 B15R1.504 NC(=O)CSCCOCc1ccccc1 62a_100000747473_100000234347 [0,0,1,0,0,0|3,0,0]=4 650 B15R1.504 NC(=O)OCCNCCc1ccccc1 34a_100000106460_200011214921 [0,0,1,0,0,0|3,0,0]=4 651 B15R1.504 NC(=O)OCCOCCc1ccccc1 34a_100000210268_200011214921 [0,0,1,0,0,0|3,0,0]=4 652 B15R1.504 NC(=O)OCCOCCc1ccccc1 7a_100000210268_200011214921 [0,0,1,0,0,0|3,0,0]=4 653 B15R1.504 NC(=O)OCCOCCc1ccccc1 7a_100000766696_100000765856 [0,0,1,0,0,0|3,0,0]=4 654 B15R1.504 NC(=O)OCCSCCc1ccccc1 62a_100000765856_200011214921 [0,0,1,0,0,0|3,0,0]=4 655 B15R1.504 NC(=O)OCCSCCc1ccccc1 62a_200011214921_100011218657 [0,0,1,0,0,0|3,0,0]=4 656 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000210414_100011215529 [0,0,1,0,0,0|3,0,0]=4 657 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000748059_100000210202 [0,0,1,0,0,0|3,0,0]=4 658 B15R1.962 CCC(=O)NCCOCc1ccccc1 11a_100000753106_100000210414 [0,0,1,0,0,0|2,0,1]=4 659 B15R1.962 CCC(=O)NCCOCc1ccccc1 1626a_100000753106_100000210414 [0,0,1,0,0,0|2,0,1]=4 660 B15R1.962 CCC(=O)NCCOCc1ccccc1 240690a_100000753106_100000210414 [0,0,1,0,0,0|2,0,1]=4 661 B15R1.962 CCC(=O)NCCOCc1ccccc1 34a_200000158885_100015291786 [0,0,1,0,0,0|2,0,1]=4 662 B15R1.962 CCC(=O)NCCOCc1ccccc1 527a_100000753106_100000210414 [0,0,1,0,0,0|2,0,1]=4 663 B15R1.962 CCC(=O)NCCOCc1ccccc1 7a_200000158885_100000211182 [0,0,1,0,0,0|2,0,1]=4 664 B15R1.962 CCC(=O)OCCOCc1ccccc1 7a_200000031056_100000211182 [0,0,1,0,0,0|3,0,0]=4 665 B15R1.962 CNC(=O)CCCOCc1ccccc1 11a_106832991635_100000748059 [0,0,1,0,0,0|3,0,0]=4 666 B15R1.962 CNC(=O)CCCOCc1ccccc1 1626a_100102657272_100000748059 [0,0,1,0,0,0|3,0,0]=4 667 B15R1.962 CNC(=O)CCCOCc1ccccc1 240690a_100102657272_100000748059 [0,0,1,0,0,0|3,0,0]=4 668 B15R1.962 CNC(=O)CCCOCc1ccccc1 34a_100000210790_100000741757 [0,0,1,0,0,0|3,0,0]=4 669 B15R1.962 CNC(=O)CCCOCc1ccccc1 527a_100102657272_100000748059 [0,0,1,0,0,0|3,0,0]=4 670 B15R1.962 CNC(=O)CCCOCc1ccccc1 7a_100000210790_100000741757 [0,0,1,0,0,0|3,0,0]=4 671 B15R1.962 CNC(=O)NCCOCc1ccccc1 2708a_100000753106_106832991635 [0,0,1,0,0,0|2,0,1]=4 672 B15R1.962 CNC(=O)NCCOCc1ccccc1 2708a_100102657272_100000753106 [0,0,1,0,0,0|2,0,1]=4 673 B15R1.962 CNC(=O)NCCOCc1ccccc1 273464a_100000753106_100102657272 [0,0,1,0,0,0|2,0,1]=4 674 B15R1.962 CNC(=O)NCCOCc1ccccc1 273464a_100102657272_100000753106 [0,0,1,0,0,0|2,0,1]=4 675 B15R1.962 CNC(=O)NCCOCc1ccccc1 512a_100000753106_100102657272 [0,0,1,0,0,0|2,0,1]=4 676 B15R1.962 CNC(=O)NCCOCc1ccccc1 512a_106832991638_100000753106 [0,0,1,0,0,0|2,0,1]=4 677 B15R1.962 CNC(=O)OCCOCc1ccccc1 34a_100000210790_200011997002 [0,0,1,0,0,0|3,0,0]=4 678 B15R1.962 CNC(=O)OCCOCc1ccccc1 7a_100000210790_200011997002 [0,0,1,0,0,0|3,0,0]=4 679 B15R1.962 COC(=O)/C=C/COCc1ccccc1 34a_100000210790_100000742655 [0,0,1,0,0,0|2,0,1]=4 680 B15R1.962 COC(=O)/C=C/COCc1ccccc1 7a_100000210790_100000742655 [0,0,1,0,0,0|2,0,1]=4 681 B15R1.962 COC(=O)CCCNCc1ccccc1 2230a_100015324214_100011218270 [0,0,1,0,0,0|3,0,0]=4 682 B15R1.962 COC(=O)CCCNCc1ccccc1 34a_100015324214_100000742333 [0,0,1,0,0,0|3,0,0]=4 683 B15R1.962 COC(=O)CCCOCc1ccccc1 34a_100000210790_100000742333 [0,0,1,0,0,0|2,0,0]=3 684 B15R1.962 COC(=O)CCCOCc1ccccc1 7a_100000210790_100011218270 [0,0,1,0,0,0|2,0,0]=3 685 B15R1.962 COC(=O)CCCSCc1ccccc1 62a_100000211182_100011218270 [0,0,1,0,0,0|2,1,0]=4 686 B15R1.962 COC(=O)CCCSCc1ccccc1 62a_100011218270_100015291786 [0,0,1,0,0,0|2,1,0]=4 687 B15R1.962 COC(=O)CSCOCc1ccccc1 62a_100000747449_100000763385 [0,0,1,0,0,0|3,0,0]=4 688 B15R1.962 COC(=O)CSCOCc1ccccc1 62a_100000763385_100000747449 [0,0,1,0,0,0|3,0,0]=4 689 B15R1.962 COC(=O)NCCOCc1ccccc1 34a_100000757965_100015291786 [0,0,1,0,0,0|1,0,1]=3 690 B15R1.962 COC(=O)NCCOCc1ccccn1 34a_100000757965_100000721315 [0,0,1,0,0,0|2,0,1]=4 691 B15R1.962 COC(=O)NCCOCc1cccnc1 34a_100000757965_100000733263 [0,0,1,0,0,0|2,0,1]=4 692 B15R1.962 COC(=O)OCCOCc1ccccc1 34a_100010262106_100015291786 [0,0,1,0,0,0|2,0,0]=3 693 B15R1.962 COC(=O)OCCOCc1ccccn1 34a_100010262106_100000721315 [0,0,1,0,0,0|3,0,0]=4 694 B15R1.962 COC(=O)OCCOCc1cccnc1 34a_100010262106_100000733263 [0,0,1,0,0,0|3,0,0]=4 695 B15R1.962 COC(C)SCCOCc1ccccc1 62a_100000234347_100009879195 [0,0,1,0,0,0|2,0,1]=4 696 B15R1.962 COC(C)SCCOCc1ccccc1 62a_100009879195_100000234347 [0,0,1,0,0,0|2,0,1]=4 697 B15R1.1306 CCN[C@H](CO)COCc1ccccc1 2230a_100016995297_100000210202 [0,0,1,0,0,0|1,0,2]=4 698 B15R1.1306 CCN[C@H](CO)COCc1ccccc1 34a_100016995297_100000210202 [0,0,1,0,0,0|1,0,2]=4 699 B15R1.1306 OC[C@H](COCc1ccccc1)NCF 34a_100016995297_100015361967 [0,0,1,0,0,0|1,0,2]=4 700 B15R1.9084 CC(=O)CC(C)COCc1ccccc1 1458a_100000070787_100011216253 [0,0,1,0,0,0|2,0,1]=4 701 B15R1.9084 CN(COCc1ccccc1)CC(=O)N 2230a_100000739694_100000763385 [0,0,1,0,0,0|2,0,1]=4 702 B15R1.9084 CN(COCc1ccccc1)CC(=O)O 269956a_100000746989_100000763385 [0,0,1,0,0,0|3,0,0]=4 703 B15R2.283 Cc1nc(no1)CCc2ccccc2 270196a_100000212256_100000070787 [0,0,0,0,1,0|2,0,1]=4 704 B15R2.283 Cc1nc(no1)COc2ccccc2 270196a_100000169432_100000070787 [0,0,0,0,1,0|2,0,1]=4 705 B15R2.283 Cc1nc(no1)COc2ccccc2 34a_100000210340_100000231061 [0,0,0,0,1,0|2,0,1]=4 706 B15R2.283 Cc1nc(no1)COc2ccccc2 7a_100000210340_100000231061 [0,0,0,0,1,0|2,0,1]=4 707 B15R2.283 O=C1C=C(CO1)COc2ccccc2 34a_100000210340_100000716558 [0,0,0,0,1,0|2,0,1]=4 708 B15R2.283 O=C1CC(CN1)OCc2ccccc2 34a_100000690082_100015291786 [0,0,0,0,1,0|3,0,0]=4 709 B15R2.283 O=C1CCC(C1)OCc2ccccc2 34a_100012614533_100015291786 [0,0,0,0,1,0|3,0,0]=4 710 B15R2.283 O=C1CC[C@H](N1)COc2ccccc2 7a_100000210340_100015189358 [0,0,0,0,1,0|2,0,1]=4 711 B15R2.283 O=C1NCC(O1)COc2ccccc2 34a_100000210340_100000181169 [0,0,0,0,1,0|3,0,0]=4 712 B15R2.283 O=C1NCC(O1)COc2ccccc2 7a_100000210340_100000181169 [0,0,0,0,1,0|3,0,0]=4 713 B15R2.283 O=C1N[C@H](CO1)CNc2ccccc2 34a_100000106764_100015307671 [0,0,0,0,1,0|2,0,1]=4 714 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 34a_100000210340_100015307671 [0,0,0,0,1,0|1,0,1]=3 715 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 7a_100000210340_100015307671 [0,0,0,0,1,0|1,0,1]=3 716 B15R2.283 O=C1N[C@H](CO1)COc2cccnc2 34a_100000210849_100015307671 [0,0,0,0,1,0|2,0,1]=4 717 B15R2.283 O=C1N[C@H](CO1)COc2cccnc2 7a_100000210849_100015307671 [0,0,0,0,1,0|2,0,1]=4 718 B15R2.283 O=C1N[C@H](CO1)COc2ccncc2 34a_100000212176_100015307671 [0,0,0,0,1,0|2,0,1]=4 719 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100000719477_100015307671 [0,0,0,0,1,0|1,1,1]=4 720 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100015307671_100000041952 [0,0,0,0,1,0|1,1,1]=4 721 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,0,1,0|3,0,0]=4 722 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,0,1,0|2,0,0]=3 723 B15R2.283 O=C1OCC(O1)COc2cccnc2 34a_100000210849_100000073702 [0,0,0,0,1,0|3,0,0]=4 724 B15R2.283 O=C1OCC(O1)COc2ccncc2 34a_100000212176_100000073702 [0,0,0,0,1,0|3,0,0]=4 725 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,0,1,0|2,1,0]=4 726 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,0,1,0|2,1,0]=4 727 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,0,1,0|3,0,0]=4 728 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,0,1,0|2,0,0]=3 729 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,0,1,0|2,1,0]=4 730 B15R2.283 Oc1nc(no1)CCc2ccccc2 270196a_100000212256_100015183105 [0,0,0,0,1,0|2,0,1]=4 731 B15R2.283 Oc1nc(no1)COc2ccccc2 270196a_100000169432_100015183105 [0,0,0,0,1,0|2,0,1]=4 732 B15R2.286 O=C1N[C@H](CO1)COCc2ccco2 34a_100000210059_100015307671 [0,0,0,0,1,0|2,0,1]=4 733 B15R2.286 O=C1N[C@H](CO1)COCc2cccs2 34a_100000211240_100015307671 [0,0,0,0,1,0|2,0,1]=4 734 B15R2.286 O=C1N[C@H](CO1)COCc2ccoc2 34a_100011215357_100015307671 [0,0,0,0,1,0|2,0,1]=4 735 B15R2.286 O=C1N[C@H](CO1)COCc2ccsc2 34a_100011215551_100015307671 [0,0,0,0,1,0|2,0,1]=4 736 B15R2.286 O=C1OCC(O1)COCc2ccco2 34a_100000210059_100000073702 [0,0,0,0,1,0|3,0,0]=4 737 B15R2.286 O=C1OCC(O1)COCc2cccs2 34a_100000211240_100000073702 [0,0,0,0,1,0|3,0,0]=4 738 B15R2.286 O=C1OCC(O1)COCc2ccoc2 34a_100011215357_100000073702 [0,0,0,0,1,0|3,0,0]=4 739 B15R2.286 O=C1OCC(O1)COCc2ccsc2 34a_100011215551_100000073702 [0,0,0,0,1,0|3,0,0]=4 740 B15R2.617 C=C1CC(C1)CNCc2ccccc2 207a_100102567296_100015611070 [0,0,0,0,1,0|3,0,0]=4 741 B15R2.617 C=C1CC(C1)CNCc2ccccc2 2230a_100102567296_100015291786 [0,0,0,0,1,0|3,0,0]=4 742 B15R2.617 C=C1CC(C1)CNCc2ccccc2 270004a_100102567296_100015611070 [0,0,0,0,1,0|3,0,0]=4 743 B15R2.617 C=C1CC(C1)CNCc2ccccc2 34a_100102567296_100015291786 [0,0,0,0,1,0|3,0,0]=4 744 B15R2.617 C=C1CC(C1)COCc2ccccc2 34a_100011011225_100015291786 [0,0,0,0,1,0|2,0,0]=3 745 B15R2.617 C=C1CC(C1)COCc2ccccn2 34a_100011011225_100000721315 [0,0,0,0,1,0|3,0,0]=4 746 B15R2.617 C=C1CC(C1)COCc2cccnc2 34a_100011011225_100000733263 [0,0,0,0,1,0|3,0,0]=4 747 B15R2.617 ClC1CC(C1)COCc2ccccc2 34a_100009874164_100015291786 [0,0,0,0,1,0|2,0,1]=4 748 B15R2.617 O=C1CC(C1)CNCc2ccccc2 2230a_100015324214_100009874392 [0,0,0,0,1,0|3,0,0]=4 749 B15R2.617 O=C1CC(C1)COCc2ccccc2 34a_100000101936_100015291786 [0,0,0,0,1,0|2,0,0]=3 750 B15R2.617 O=C1CC(C1)COCc2ccccc2 7a_100000210790_100009874392 [0,0,0,0,1,0|2,0,0]=3 751 B15R2.617 O=C1CC(C1)COCc2ccccn2 34a_100000101936_100000721315 [0,0,0,0,1,0|3,0,0]=4 752 B15R2.617 O=C1CC(C1)COCc2cccnc2 34a_100000101936_100000733263 [0,0,0,0,1,0|3,0,0]=4 753 B15R2.617 O=C1CC(C1)CSCc2ccccc2 62a_100000211182_100009874392 [0,0,0,0,1,0|2,1,0]=4 754 B15R2.617 O=C1CC(C1)CSCc2ccccc2 62a_100009874392_100015291786 [0,0,0,0,1,0|2,1,0]=4 755 B17R2.216 C=C1CCC(CC1)COCc2ccccc2 34a_100000074039_100015291786 [0,0,0,0,0,1|3,0,0]=4 756 B17R2.216 N[C@H]1CC[C@@H](CC1)COCc2ccccc2 34a_100009821084_100015291786 [0,0,0,0,0,1|2,0,1]=4 757 B17R2.216 Nc1ccc(cn1)COCc2ccccc2 34a_100000704267_100015291786 [0,0,0,0,0,1|1,0,2]=4 758 B17R2.216 Nc1ccc(nc1)COCc2ccccc2 34a_100011998161_100015291786 [0,0,0,0,0,1|1,0,2]=4 759 B17R2.216 O=C1CCC(CC1)COCc2ccccc2 34a_100000062911_100015291786 [0,0,0,0,0,1|3,0,0]=4 760 B17R2.3230 Cc1nc(co1)COCCc2ccccc2 34a_100012017233_100000765856 [0,0,0,0,0,1|1,0,2]=4 761 B17R2.3230 Cc1nc(no1)CCOCc2ccccc2 270196a_100000740352_100000070787 [0,0,0,0,0,1|2,0,1]=4 762 B17R2.3230 Cc1nc(no1)COCCc2ccccc2 34a_100000210268_100000231061 [0,0,0,0,0,1|2,0,1]=4 763 B17R2.3230 Cc1nc(no1)COCCc2ccccc2 7a_100000210268_100000231061 [0,0,0,0,0,1|2,0,1]=4 764 B17R2.3230 Cc1nc(no1)SCOCc2ccccc2 62a_100000763385_100012003639 [0,0,0,0,0,1|2,0,1]=4 765 B17R2.3230 Cc1nc(no1)SCOCc2ccccc2 62a_100012003639_100000763385 [0,0,0,0,0,1|2,0,1]=4 766 B17R2.3230 Nc1ccn(n1)CCOCc2ccccc2 34a_100000752724_100015291786 [0,0,0,0,0,1|2,0,1]=4 767 B17R2.3230 Nc1csc(n1)SCOCc2ccccc2 62a_100000763385_200015188442 [0,0,0,0,0,1|2,0,1]=4 768 B17R2.3230 Nc1csc(n1)SCOCc2ccccc2 62a_200015188442_100000763385 [0,0,0,0,0,1|2,0,1]=4 769 B17R2.3230 Nc1nc(cs1)SCOCc2ccccc2 62a_100000763385_100011998049 [0,0,0,0,0,1|0,1,2]=4 770 B17R2.3230 Nc1nc(cs1)SCOCc2ccccc2 62a_100011998049_100000763385 [0,0,0,0,0,1|0,1,2]=4 771 B17R2.3230 Nc1nc(n[nH]1)SCOCc2ccccc2 62a_100000763385_100015184587 [0,0,0,0,0,1|2,0,1]=4 772 B17R2.3230 Nc1nc(n[nH]1)SCOCc2ccccc2 62a_100015184587_100000763385 [0,0,0,0,0,1|2,0,1]=4 773 B17R2.3230 O=C1C=C(CO1)COCCc2ccccc2 34a_100000210268_100000716558 [0,0,0,0,0,1|2,0,1]=4 774 B17R2.3230 O=C1CC(CN1)COCCc2ccccc2 34a_100016041077_100000765856 [0,0,0,0,0,1|3,0,0]=4 775 B17R2.3230 O=C1CC(CN1)NCOCc2ccccc2 2230a_100000697751_100000763385 [0,0,0,0,0,1|3,0,0]=4 776 B17R2.3230 O=C1CC(CN1)OCOCc2ccccc2 34a_100000690082_100000763385 [0,0,0,0,0,1|3,0,0]=4 777 B17R2.3230 O=C1CCC(C1)OCOCc2ccccc2 34a_100012614533_100000763385 [0,0,0,0,0,1|3,0,0]=4 778 B17R2.3230 O=C1CCC(N1)COCCc2ccccc2 34a_100000737831_100000765856 [0,0,0,0,0,1|2,0,1]=4 779 B17R2.3230 O=C1CC[C@H](N1)COCCc2ccccc2 7a_100000210268_100015189358 [0,0,0,0,0,1|2,0,1]=4 780 B17R2.3230 O=C1NCC(O1)COCCc2ccccc2 34a_100000210268_100000181169 [0,0,0,0,0,1|3,0,0]=4 781 B17R2.3230 O=C1NCC(O1)COCCc2ccccc2 34a_100011315639_100000765856 [0,0,0,0,0,1|3,0,0]=4 782 B17R2.3230 O=C1NCC(O1)COCCc2ccccc2 7a_100000210268_100000181169 [0,0,0,0,0,1|3,0,0]=4 783 B17R2.3230 O=C1N[C@H](CO1)CNCCc2ccccc2 2230a_100000106460_100015307671 [0,0,0,0,0,1|2,0,1]=4 784 B17R2.3230 O=C1N[C@H](CO1)CNCCc2ccccc2 34a_100000106460_100015307671 [0,0,0,0,0,1|2,0,1]=4 785 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccc2 34a_100000210268_100015307671 [0,0,0,0,0,1|1,0,1]=3 786 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccc2 7a_100000210268_100015307671 [0,0,0,0,0,1|1,0,1]=3 787 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccn2 34a_100000210271_100015307671 [0,0,0,0,0,1|2,0,1]=4 788 B17R2.3230 O=C1N[C@H](CO1)COCCc2cccnc2 34a_100011217484_100015307671 [0,0,0,0,0,1|2,0,1]=4 789 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccncc2 34a_100011216225_100015307671 [0,0,0,0,0,1|2,0,1]=4 790 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccc2 62a_100000765856_100015307671 [0,0,0,0,0,1|1,1,1]=4 791 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccc2 62a_100015307671_100011218657 [0,0,0,0,0,1|1,1,1]=4 792 B17R2.3230 O=C1N[C@H](CO1)CSCSc2ccccc2 62a_100011218342_100015307671 [0,0,0,0,0,1|1,1,1]=4 793 B17R2.3230 O=C1N[C@H](CO1)CSCSc2ccccc2 62a_100015307671_100011218342 [0,0,0,0,0,1|1,1,1]=4 794 B17R2.3230 O=C1OCC(O1)CNCCc2ccccc2 34a_100000106460_100000073702 [0,0,0,0,0,1|3,0,0]=4 795 B17R2.3230 O=C1OCC(O1)COCCc2ccccc2 34a_100000210268_100000073702 [0,0,0,0,0,1|2,0,0]=3 796 B17R2.3230 O=C1OCC(O1)COCCc2ccccn2 34a_100000210271_100000073702 [0,0,0,0,0,1|3,0,0]=4 797 B17R2.3230 O=C1OCC(O1)COCCc2cccnc2 34a_100011217484_100000073702 [0,0,0,0,0,1|3,0,0]=4 798 B17R2.3230 O=C1OCC(O1)COCCc2ccncc2 34a_100011216225_100000073702 [0,0,0,0,0,1|3,0,0]=4 799 B17R2.3230 O=C1OCC(O1)CSCCc2ccccc2 62a_100000073702_100011218657 [0,0,0,0,0,1|2,1,0]=4 800 B17R2.3230 O=C1OCC(O1)CSCCc2ccccc2 62a_100000765856_100000073702 [0,0,0,0,0,1|2,1,0]=4 801 B17R2.3230 O=C1OCC(O1)CSCSc2ccccc2 62a_100000073702_100011218342 [0,0,0,0,0,1|2,1,0]=4 802 B17R2.3230 O=C1OCC(O1)CSCSc2ccccc2 62a_100011218342_100000073702 [0,0,0,0,0,1|2,1,0]=4 803 B17R2.3230 O=C1OCC(O1)NCCCc2ccccc2 34a_100000211184_100000032252 [0,0,0,0,0,1|3,0,0]=4 804 B17R2.3230 O=C1OCC(O1)OCCCc2ccccc2 34a_100000210828_100000032252 [0,0,0,0,0,1|3,0,0]=4 805 B17R2.3230 O=C1OCC(O1)SCCCc2ccccc2 62a_100000211621_100000032252 [0,0,0,0,0,1|3,0,0]=4 806 B17R2.3230 O=C1OCC(O1)SCOCc2ccccc2 62a_100000763385_100000032252 [0,0,0,0,0,1|2,0,0]=3 807 B17R2.3230 O=C1OCC(O1)SCSCc2ccccc2 62a_200011217039_100000032252 [0,0,0,0,0,1|2,1,0]=4 808 B17R2.3230 O=S1OCC(O1)CCOCc2ccccc2 7a_100000210790_100009840081 [0,0,0,0,0,1|3,0,0]=4 809 B17R2.3230 Oc1nc(no1)CCOCc2ccccc2 270196a_100000740352_100015183105 [0,0,0,0,0,1|2,0,1]=4 810 B17R2.5301 O=C1CC(CCN1)COCc2ccccc2 34a_100009886756_100015291786 [0,0,0,0,0,1|3,0,0]=4 811 B17R2.5301 O=C1CCCC(N1)COCc2ccccc2 34a_200000102386_100015291786 [0,0,0,0,0,1|2,0,1]=4 812 B17R2.5301 O=C1CN(CCO1)COCc2ccccc2 2230a_100000131268_100000763385 [0,0,0,0,0,1|3,0,0]=4 813 B17R2.5301 O=C1COCC(N1)COCc2ccccc2 34a_200000101122_100015291786 [0,0,0,0,0,1|1,0,1]=3 814 B17R2.5301 O=C1COCC(N1)COCc2ccccn2 34a_200000101122_100000721315 [0,0,0,0,0,1|2,0,1]=4 815 B17R2.5301 O=C1COCC(N1)COCc2cccnc2 34a_200000101122_100000733263 [0,0,0,0,0,1|2,0,1]=4 816 B14R1.123 C=CCCCCOCc1ccccc1 34a_100000210790_100011215482 [1,0,1,0,0,0|2,0,0]=4 817 B14R1.123 C=CCCCCOCc1ccccc1 34a_100000766645_100015291786 [1,0,1,0,0,0|2,0,0]=4 818 B14R1.123 C=CCCCCOCc1ccccc1 7a_100000210790_100011215482 [1,0,1,0,0,0|2,0,0]=4 819 B14R1.123 C=CCCCCOCc1ccccc1 7a_100000766645_100000211182 [1,0,1,0,0,0|2,0,0]=4 820 B14R1.123 C=COCCCNCc1ccccc1 207a_100000210767_100015611070 [1,0,1,0,0,0|2,0,0]=4 821 B14R1.123 C=COCCCNCc1ccccc1 2230a_100000210767_100015291786 [1,0,1,0,0,0|2,0,0]=4 822 B14R1.123 C=COCCCNCc1ccccc1 270004a_100000210767_100015611070 [1,0,1,0,0,0|2,0,0]=4 823 B14R1.123 C=COCCCNCc1ccccc1 34a_100000210767_100015291786 [1,0,1,0,0,0|2,0,0]=4 824 B14R1.123 CC/C=C\CCOCc1ccccc1 34a_100000210790_100015370543 [1,0,1,0,0,0|2,0,0]=4 825 B14R1.123 CC/C=C\CCOCc1ccccc1 34a_100016288707_100015291786 [1,0,1,0,0,0|2,0,0]=4 826 B14R1.123 CC/C=C\CCOCc1ccccc1 7a_100000210790_100015370543 [1,0,1,0,0,0|2,0,0]=4 827 B14R1.123 CC/C=C\CCOCc1ccccc1 7a_100016288707_100000211182 [1,0,1,0,0,0|2,0,0]=4 828 B14R1.123 CC=CCCCOCc1ccccc1 34a_100020645299_100015291786 [1,0,1,0,0,0|2,0,0]=4 829 B14R1.123 CCOCCCOCc1ccccc1 34a_100000210790_100012232248 [1,0,1,0,0,0|1,0,1]=4 830 B14R1.123 CCOCCCOCc1ccccc1 34a_100000691849_100000210202 [1,0,1,0,0,0|1,0,1]=4 831 B14R1.123 CCOCCCOCc1ccccc1 34a_100000757476_100015291786 [1,0,1,0,0,0|1,0,1]=4 832 B14R1.123 CCOCCCOCc1ccccc1 34a_100121572206_100011215529 [1,0,1,0,0,0|1,0,1]=4 833 B14R1.123 CCOCCCOCc1ccccc1 7a_100000210790_100012232248 [1,0,1,0,0,0|1,0,1]=4 834 B14R1.123 CCOCCCOCc1ccccc1 7a_100000691849_100000210202 [1,0,1,0,0,0|1,0,1]=4 835 B14R1.123 CCOCCCOCc1ccccc1 7a_100000757476_100000211182 [1,0,1,0,0,0|1,0,1]=4 836 B14R1.123 COCCCCOCc1ccccc1 34a_100000210790_100000755781 [1,0,1,0,0,0|1,0,1]=4 837 B14R1.123 COCCCCOCc1ccccc1 34a_100000740925_100015291786 [1,0,1,0,0,0|1,0,1]=4 838 B14R1.123 COCCCCOCc1ccccc1 34a_100011215074_200000210301 [1,0,1,0,0,0|1,0,1]=4 839 B14R1.123 COCCCCOCc1ccccc1 34a_100138415774_100011219843 [1,0,1,0,0,0|1,0,1]=4 840 B14R1.123 COCCCCOCc1ccccc1 7a_100000210790_100000730899 [1,0,1,0,0,0|1,0,1]=4 841 B14R1.123 COCCCCOCc1ccccc1 7a_100011215074_200000210301 [1,0,1,0,0,0|1,0,1]=4 842 B14R1.123 COCNCCOCc1ccccc1 2230a_100000753106_100000766300 [1,0,1,0,0,0|0,0,2]=4 843 B14R1.123 COCSCCOCc1ccccc1 62a_100000234347_100000766300 [1,0,1,0,0,0|1,0,1]=4 844 B14R1.123 COCSCCOCc1ccccc1 62a_100000766300_100000234347 [1,0,1,0,0,0|1,0,1]=4 845 B14R1.123 FCOCCCOCc1ccccc1 34a_100000691849_100015361967 [1,0,1,0,0,0|1,0,1]=4 846 B14R1.123 FCOCCCOCc1ccccc1 7a_100000691849_100015361967 [1,0,1,0,0,0|1,0,1]=4 847 B14R1.123 NCCCCCOCc1ccccc1 34a_100000762737_100015291786 [1,0,1,0,0,0|1,0,1]=4 848 B14R1.123 O=CCCCCOCc1ccccc1 7a_100000210790_100000139335 [1,0,1,0,0,0|2,0,0]=4 849 B14R1.123 [13CH3]OCCCCOCc1ccccc1 34a_100011215074_200025704644 [1,0,1,0,0,0|1,0,1]=4 850 B14R1.123 [13CH3]OCCCCOCc1ccccc1 7a_100011215074_200025704644 [1,0,1,0,0,0|1,0,1]=4 851 B14R1.520 C=CCC(C)COCc1ccccc1 34a_100009832082_100015291786 [1,0,1,0,0,0|2,0,0]=4 852 B14R1.520 C=CCC(C)COCc1ccccc1 7a_100009832082_100000211182 [1,0,1,0,0,0|2,0,0]=4 853 B14R1.520 C=CC[C@@H](N)COCc1ccccc1 34a_100020615467_100015291786 [1,0,1,0,0,0|1,0,1]=4 854 B14R1.520 CC(CCN)COCc1ccccc1 34a_106354213184_100015291786 [1,0,1,0,0,0|1,0,1]=4 855 B14R1.520 CC(CO[13CH3])COCc1ccccc1 34a_200011216033_200025704644 [1,0,1,0,0,0|1,0,1]=4 856 B14R1.520 CC(CO[13CH3])COCc1ccccc1 7a_200011216033_200025704644 [1,0,1,0,0,0|1,0,1]=4 857 B14R1.520 COCC(C)COCc1ccccc1 34a_100138415774_100011216253 [1,0,1,0,0,0|1,0,1]=4 858 B14R1.520 COCC(C)COCc1ccccc1 34a_200011216033_200000210301 [1,0,1,0,0,0|1,0,1]=4 859 B14R1.520 COCC(C)COCc1ccccc1 7a_200011216033_200000210301 [1,0,1,0,0,0|1,0,1]=4 860 B14R1.520 COCC(N)COCc1ccccc1 34a_100000724102_100015291786 [1,0,1,0,0,0|0,0,2]=4 861 B14R1.520 COCC(O)COCc1ccccc1 34a_100000210790_100011215053 [1,0,1,0,0,0|1,0,1]=4 862 B14R1.520 COCC(O)COCc1ccccc1 7a_100000210790_100011215053 [1,0,1,0,0,0|1,0,1]=4 863 B14R1.520 COC[C@@H](N)COCc1ccccc1 34a_100016995297_200000210301 [1,0,1,0,0,0|0,0,2]=4 864 B14R1.520 [13CH3]OC[C@@H](N)COCc1ccccc1 34a_100016995297_200025704644 [1,0,1,0,0,0|0,0,2]=4 865 B14R1.422 CC(=CCCOCc1ccccc1)C 34a_100000210790_100011217483 [1,0,1,0,0,0|2,0,0]=4 866 B14R1.422 CC(=CCCOCc1ccccc1)C 7a_100000210790_100011217483 [1,0,1,0,0,0|2,0,0]=4 867 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000070787_100011215529 [1,0,1,0,0,0|2,0,0]=4 868 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000748059_200000210301 [1,0,1,0,0,0|2,0,0]=4 869 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000210790_100000685027 [1,0,1,0,0,0|2,0,0]=4 870 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000759063_100015291786 [1,0,1,0,0,0|2,0,0]=4 871 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000210790_100011215641 [1,0,1,0,0,0|2,0,0]=4 872 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000759063_100000211182 [1,0,1,0,0,0|2,0,0]=4 873 B14R1.422 CC(=O)NCCOCc1ccccc1 11a_100000753106_100015343762 [1,0,1,0,0,0|1,0,1]=4 874 B14R1.422 CC(=O)NCCOCc1ccccc1 1626a_100000753106_100015343762 [1,0,1,0,0,0|1,0,1]=4 875 B14R1.422 CC(=O)NCCOCc1ccccc1 240690a_100000753106_100015343762 [1,0,1,0,0,0|1,0,1]=4 876 B14R1.422 CC(=O)NCCOCc1ccccc1 34a_100000158858_100015291786 [1,0,1,0,0,0|1,0,1]=4 877 B14R1.422 CC(=O)NCCOCc1ccccc1 527a_100000753106_100103153847 [1,0,1,0,0,0|1,0,1]=4 878 B14R1.422 CC(=O)NCCOCc1ccccc1 7a_100000210790_100000189650 [1,0,1,0,0,0|1,0,1]=4 879 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [1,0,1,0,0,0|2,0,0]=4 880 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [1,0,1,0,0,0|2,0,0]=4 881 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [1,0,1,0,0,0|1,0,1]=4 882 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [1,0,1,0,0,0|1,0,1]=4 883 B14R1.422 NC(=O)NCCOCc1ccccc1 34a_100000181757_100015291786 [1,0,1,0,0,0|0,0,2]=4 884 B14R1.422 NC(=O)NCCOCc1ccccc1 7a_100000210790_200000034859 [1,0,1,0,0,0|0,0,2]=4 885 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [1,0,1,0,0,0|1,0,1]=4 886 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [1,0,1,0,0,0|1,0,1]=4 887 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [1,0,1,0,0,0|1,0,1]=4 888 B14R1.422 [13CH3]C(=O)CCCOCc1ccccc1 1458a_100000748059_200025704644 [1,0,1,0,0,0|2,0,0]=4 889 B14R1.546 CN[C@H](CO)COCc1ccccc1 2230a_100016995297_200000210301 [1,0,1,0,0,0|0,0,2]=4 890 B14R1.546 CN[C@H](CO)COCc1ccccc1 34a_100016995297_200000210301 [1,0,1,0,0,0|0,0,2]=4 891 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 2230a_100016995297_200025704644 [1,0,1,0,0,0|0,0,2]=4 892 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 34a_100016995297_200025704644 [1,0,1,0,0,0|0,0,2]=4 893 B16R1.1694 C=CCOCC(C)COCc1ccccc1 34a_200000210373_100011216253 [0,1,1,0,0,0|2,0,0]=4 894 B16R1.1694 C=CCOCC(C)COCc1ccccc1 34a_200011216033_100015514636 [0,1,1,0,0,0|2,0,0]=4 895 B16R1.1694 C=CCOCC(C)COCc1ccccc1 7a_200011216033_100015514636 [0,1,1,0,0,0|2,0,0]=4 896 B16R1.1694 C=CCOC[C@@H](N)COCc1ccccc1 34a_100016995297_100015514636 [0,1,1,0,0,0|1,0,1]=4 897 B16R1.1694 CC(COCC=O)COCc1ccccc1 34a_200011216033_200009817547 [0,1,1,0,0,0|2,0,0]=4 898 B16R1.1694 CC(COCC=O)COCc1ccccc1 7a_200011216033_200015260668 [0,1,1,0,0,0|2,0,0]=4 899 B16R1.1694 CC(COCCN)COCc1ccccc1 34a_100000210304_100011216253 [0,1,1,0,0,0|1,0,1]=4 900 B16R1.1694 N[C@H](COCC=O)COCc1ccccc1 34a_100016995297_200009817547 [0,1,1,0,0,0|1,0,1]=4 901 B16R1.18213 CC(=O)OCC(O)COCc1ccccc1 34a_100000210790_200000139349 [0,1,1,0,0,0|2,0,0]=4 902 B16R1.18213 CC(=O)OCC(O)COCc1ccccc1 7a_100000210790_200000139349 [0,1,1,0,0,0|2,0,0]=4 903 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)Br 34a_100000695286_100000042594 [0,1,1,0,0,0|2,0,0]=4 904 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)C 34a_100011215236_100000042594 [0,1,1,0,0,0|2,0,0]=4 905 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)C 7a_100011215236_100000042594 [0,1,1,0,0,0|2,0,0]=4 906 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)Cl 34a_100000211118_100000042594 [0,1,1,0,0,0|2,0,0]=4 907 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)Cl 7a_100000211118_100000042594 [0,1,1,0,0,0|2,0,0]=4 908 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)F 34a_100000210977_100000042594 [0,1,1,0,0,0|2,0,0]=4 909 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)F 7a_100000210977_100000042594 [0,1,1,0,0,0|2,0,0]=4 910 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)I 34a_100000690907_100000042594 [0,1,1,0,0,0|2,0,0]=4 911 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)I 7a_100000690907_100000042594 [0,1,1,0,0,0|2,0,0]=4 912 B16R1.77 CC(=O)OCCCOCc1ccc(cc1)N 34a_100011215238_100000042594 [0,1,1,0,0,0|2,0,0]=4 913 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)Br 34a_100000695286_200135323944 [0,1,1,0,0,0|2,0,0]=4 914 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)C 34a_100011215236_200135323944 [0,1,1,0,0,0|2,0,0]=4 915 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)C 7a_100011215236_200135323944 [0,1,1,0,0,0|2,0,0]=4 916 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)Cl 34a_100000211118_200135323944 [0,1,1,0,0,0|2,0,0]=4 917 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)Cl 7a_100000211118_200135323944 [0,1,1,0,0,0|2,0,0]=4 918 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)F 34a_100000210977_200135323944 [0,1,1,0,0,0|2,0,0]=4 919 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)F 7a_100000210977_200135323944 [0,1,1,0,0,0|2,0,0]=4 920 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)I 34a_100000690907_200135323944 [0,1,1,0,0,0|2,0,0]=4 921 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)I 7a_100000690907_200135323944 [0,1,1,0,0,0|2,0,0]=4 922 B16R1.77 CC(=S)OCCCOCc1ccc(cc1)N 34a_100011215238_200135323944 [0,1,1,0,0,0|2,0,0]=4 923 B16R1.77 Cc1ccc(cc1)COCCCCC(=O)N 34a_100012022536_100000210814 [0,1,1,0,0,0|2,0,0]=4 924 B16R1.77 Cc1ccc(cc1)COCCCCC(=O)N 7a_100012022536_100000210814 [0,1,1,0,0,0|2,0,0]=4 925 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)Br 34a_100012022536_100000189115 [0,1,1,0,0,0|2,0,0]=4 926 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)Br 7a_100012022536_100011217064 [0,1,1,0,0,0|2,0,0]=4 927 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)Cl 34a_100012022536_100000694040 [0,1,1,0,0,0|2,0,0]=4 928 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)Cl 7a_100012022536_100000187161 [0,1,1,0,0,0|2,0,0]=4 929 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)F 34a_100012022536_100000198546 [0,1,1,0,0,0|2,0,0]=4 930 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)F 7a_100012022536_100000198546 [0,1,1,0,0,0|2,0,0]=4 931 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)I 34a_100012022536_100000189116 [0,1,1,0,0,0|2,0,0]=4 932 B16R1.77 NC(=O)CCCCOCc1ccc(cc1)I 7a_100012022536_100000189116 [0,1,1,0,0,0|2,0,0]=4 933 B16R1.83 CC(=O)OCCCOCc1cccc(c1)Br 34a_100000687537_100000042594 [0,1,1,0,0,0|2,0,0]=4 934 B16R1.83 CC(=O)OCCCOCc1cccc(c1)Br 7a_100000687537_100000042594 [0,1,1,0,0,0|2,0,0]=4 935 B16R1.83 CC(=O)OCCCOCc1cccc(c1)C 34a_100011217746_100000042594 [0,1,1,0,0,0|2,0,0]=4 936 B16R1.83 CC(=O)OCCCOCc1cccc(c1)C 7a_100011217746_100000042594 [0,1,1,0,0,0|2,0,0]=4 937 B16R1.83 CC(=O)OCCCOCc1cccc(c1)Cl 34a_100000241301_100000042594 [0,1,1,0,0,0|2,0,0]=4 938 B16R1.83 CC(=O)OCCCOCc1cccc(c1)Cl 7a_100000241301_100000042594 [0,1,1,0,0,0|2,0,0]=4 939 B16R1.83 CC(=O)OCCCOCc1cccc(c1)F 34a_100000210976_100000042594 [0,1,1,0,0,0|2,0,0]=4 940 B16R1.83 CC(=O)OCCCOCc1cccc(c1)F 7a_100000210976_100000042594 [0,1,1,0,0,0|2,0,0]=4 941 B16R1.83 CC(=O)OCCCOCc1cccc(c1)I 34a_100011215336_100000042594 [0,1,1,0,0,0|2,0,0]=4 942 B16R1.83 CC(=O)OCCCOCc1cccc(c1)I 7a_100011215336_100000042594 [0,1,1,0,0,0|2,0,0]=4 943 B16R1.83 CC(=O)OCCCOCc1cccc(c1)N 34a_100000211919_100000042594 [0,1,1,0,0,0|2,0,0]=4 944 B16R1.83 CC(=S)OCCCOCc1cccc(c1)Br 34a_100000687537_200135323944 [0,1,1,0,0,0|2,0,0]=4 945 B16R1.83 CC(=S)OCCCOCc1cccc(c1)Br 7a_100000687537_200135323944 [0,1,1,0,0,0|2,0,0]=4 946 B16R1.83 CC(=S)OCCCOCc1cccc(c1)C 34a_100011217746_200135323944 [0,1,1,0,0,0|2,0,0]=4 947 B16R1.83 CC(=S)OCCCOCc1cccc(c1)C 7a_100011217746_200135323944 [0,1,1,0,0,0|2,0,0]=4 948 B16R1.83 CC(=S)OCCCOCc1cccc(c1)Cl 34a_100000241301_200135323944 [0,1,1,0,0,0|2,0,0]=4 949 B16R1.83 CC(=S)OCCCOCc1cccc(c1)Cl 7a_100000241301_200135323944 [0,1,1,0,0,0|2,0,0]=4 950 B16R1.83 CC(=S)OCCCOCc1cccc(c1)F 34a_100000210976_200135323944 [0,1,1,0,0,0|2,0,0]=4 951 B16R1.83 CC(=S)OCCCOCc1cccc(c1)F 7a_100000210976_200135323944 [0,1,1,0,0,0|2,0,0]=4 952 B16R1.83 CC(=S)OCCCOCc1cccc(c1)I 34a_100011215336_200135323944 [0,1,1,0,0,0|2,0,0]=4 953 B16R1.83 CC(=S)OCCCOCc1cccc(c1)I 7a_100011215336_200135323944 [0,1,1,0,0,0|2,0,0]=4 954 B16R1.83 CC(=S)OCCCOCc1cccc(c1)N 34a_100000211919_200135323944 [0,1,1,0,0,0|2,0,0]=4 955 B16R1.83 Cc1cccc(c1)COCCCCC(=O)N 34a_100012022536_100000211840 [0,1,1,0,0,0|2,0,0]=4 956 B16R1.83 Cc1cccc(c1)COCCCCC(=O)N 7a_100012022536_100000211840 [0,1,1,0,0,0|2,0,0]=4 957 B16R1.83 NC(=O)CCCCOCc1cccc(c1)Br 34a_100012022536_100000698116 [0,1,1,0,0,0|2,0,0]=4 958 B16R1.83 NC(=O)CCCCOCc1cccc(c1)Br 7a_100012022536_100000211773 [0,1,1,0,0,0|2,0,0]=4 959 B16R1.83 NC(=O)CCCCOCc1cccc(c1)Cl 34a_100012022536_100000187163 [0,1,1,0,0,0|2,0,0]=4 960 B16R1.83 NC(=O)CCCCOCc1cccc(c1)Cl 7a_100012022536_100000187163 [0,1,1,0,0,0|2,0,0]=4 961 B16R1.83 NC(=O)CCCCOCc1cccc(c1)F 34a_100012022536_100000187166 [0,1,1,0,0,0|2,0,0]=4 962 B16R1.83 NC(=O)CCCCOCc1cccc(c1)F 7a_100012022536_100000230114 [0,1,1,0,0,0|2,0,0]=4 963 B16R1.83 NC(=O)CCCCOCc1cccc(c1)I 34a_100012022536_100011218688 [0,1,1,0,0,0|2,0,0]=4 964 B16R1.83 NC(=O)CCCCOCc1cccc(c1)I 7a_100012022536_100011218688 [0,1,1,0,0,0|2,0,0]=4 965 B16R1.83 NC(=O)CCCCOCc1cccc(c1)O 34a_100012022536_100011660834 [0,1,1,0,0,0|2,0,0]=4 966 B16R1.83 NC(=O)CCCCOCc1cccc(c1)O 7a_100012022536_100000084143 [0,1,1,0,0,0|2,0,0]=4 967 B16R1.290 CC(=O)OCCCOCc1ccccc1Br 34a_100000756307_100000042594 [0,1,1,0,0,0|2,0,0]=4 968 B16R1.290 CC(=O)OCCCOCc1ccccc1Br 7a_100000756307_100000042594 [0,1,1,0,0,0|2,0,0]=4 969 B16R1.290 CC(=O)OCCCOCc1ccccc1C 34a_100000698903_100000042594 [0,1,1,0,0,0|2,0,0]=4 970 B16R1.290 CC(=O)OCCCOCc1ccccc1C 7a_100000698903_100000042594 [0,1,1,0,0,0|2,0,0]=4 971 B16R1.290 CC(=O)OCCCOCc1ccccc1Cl 34a_100000210847_100000042594 [0,1,1,0,0,0|2,0,0]=4 972 B16R1.290 CC(=O)OCCCOCc1ccccc1Cl 7a_100000210847_100000042594 [0,1,1,0,0,0|2,0,0]=4 973 B16R1.290 CC(=O)OCCCOCc1ccccc1F 34a_100000211962_100000042594 [0,1,1,0,0,0|2,0,0]=4 974 B16R1.290 CC(=O)OCCCOCc1ccccc1F 7a_100000211962_100000042594 [0,1,1,0,0,0|2,0,0]=4 975 B16R1.290 CC(=O)OCCCOCc1ccccc1I 34a_100000187465_100000042594 [0,1,1,0,0,0|2,0,0]=4 976 B16R1.290 CC(=O)OCCCOCc1ccccc1I 7a_100000187465_100000042594 [0,1,1,0,0,0|2,0,0]=4 977 B16R1.290 CC(=O)OCCCOCc1ccccc1N 34a_100000212039_100000042594 [0,1,1,0,0,0|2,0,0]=4 978 B16R1.290 CC(=S)OCCCOCc1ccccc1Br 34a_100000756307_200135323944 [0,1,1,0,0,0|2,0,0]=4 979 B16R1.290 CC(=S)OCCCOCc1ccccc1Br 7a_100000756307_200135323944 [0,1,1,0,0,0|2,0,0]=4 980 B16R1.290 CC(=S)OCCCOCc1ccccc1C 34a_100000698903_200135323944 [0,1,1,0,0,0|2,0,0]=4 981 B16R1.290 CC(=S)OCCCOCc1ccccc1C 7a_100000698903_200135323944 [0,1,1,0,0,0|2,0,0]=4 982 B16R1.290 CC(=S)OCCCOCc1ccccc1Cl 34a_100000210847_200135323944 [0,1,1,0,0,0|2,0,0]=4 983 B16R1.290 CC(=S)OCCCOCc1ccccc1Cl 7a_100000210847_200135323944 [0,1,1,0,0,0|2,0,0]=4 984 B16R1.290 CC(=S)OCCCOCc1ccccc1F 34a_100000211962_200135323944 [0,1,1,0,0,0|2,0,0]=4 985 B16R1.290 CC(=S)OCCCOCc1ccccc1F 7a_100000211962_200135323944 [0,1,1,0,0,0|2,0,0]=4 986 B16R1.290 CC(=S)OCCCOCc1ccccc1I 34a_100000187465_200135323944 [0,1,1,0,0,0|2,0,0]=4 987 B16R1.290 CC(=S)OCCCOCc1ccccc1I 7a_100000187465_200135323944 [0,1,1,0,0,0|2,0,0]=4 988 B16R1.290 CC(=S)OCCCOCc1ccccc1N 34a_100000212039_200135323944 [0,1,1,0,0,0|2,0,0]=4 989 B16R1.290 Cc1ccccc1COCCCCC(=O)N 34a_100012022536_100000211839 [0,1,1,0,0,0|2,0,0]=4 990 B16R1.290 Cc1ccccc1COCCCCC(=O)N 7a_100012022536_100000211839 [0,1,1,0,0,0|2,0,0]=4 991 B16R1.290 NC(=O)CCCCOCc1ccccc1Br 34a_100012022536_100000184730 [0,1,1,0,0,0|2,0,0]=4 992 B16R1.290 NC(=O)CCCCOCc1ccccc1Br 7a_100012022536_100000184730 [0,1,1,0,0,0|2,0,0]=4 993 B16R1.290 NC(=O)CCCCOCc1ccccc1Cl 34a_100012022536_100000187162 [0,1,1,0,0,0|2,0,0]=4 994 B16R1.290 NC(=O)CCCCOCc1ccccc1Cl 7a_100012022536_100000187162 [0,1,1,0,0,0|2,0,0]=4 995 B16R1.290 NC(=O)CCCCOCc1ccccc1F 34a_100012022536_100000211605 [0,1,1,0,0,0|2,0,0]=4 996 B16R1.290 NC(=O)CCCCOCc1ccccc1F 7a_100012022536_100000211605 [0,1,1,0,0,0|2,0,0]=4 997 B16R1.290 NC(=O)CCCCOCc1ccccc1I 34a_100012022536_100011215278 [0,1,1,0,0,0|2,0,0]=4 998 B16R1.290 NC(=O)CCCCOCc1ccccc1I 7a_100012022536_100011215278 [0,1,1,0,0,0|2,0,0]=4 999 B16R1.609 CC(=O)OCCCO[C@H](C)c1ccccc1 34a_100000761318_100000042594 [0,1,1,0,0,0|2,0,0]=4 1000 B16R1.609 CC(=O)OCCCO[C@H](C)c1ccccc1 7a_100000761318_100000042594 [0,1,1,0,0,0|2,0,0]=4 1001 B16R1.609 CC(=S)OCCCO[C@H](C)c1ccccc1 34a_100000761318_200135323944 [0,1,1,0,0,0|2,0,0]=4 1002 B16R1.609 CC(=S)OCCCO[C@H](C)c1ccccc1 7a_100000761318_200135323944 [0,1,1,0,0,0|2,0,0]=4 1003 B16R1.609 CC(OCCCCC(=O)N)c1ccccc1 34a_100012022536_100000211855 [0,1,1,0,0,0|2,0,0]=4 1004 B16R1.609 CC(OCCCCC(=O)N)c1ccccc1 7a_100012022536_100000230085 [0,1,1,0,0,0|2,0,0]=4 1005 B16R1.1166 CC(CN)OCCCOCc1ccccc1 34a_100000210904_100011215529 [0,1,1,0,0,0|1,0,1]=4 1006 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 2708a_100102657272_200000206031 [0,1,1,0,0,0|2,0,0]=4 1007 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 2708a_200000206031_106832991635 [0,1,1,0,0,0|2,0,0]=4 1008 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 273464a_100102657272_200000206031 [0,1,1,0,0,0|2,0,0]=4 1009 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 273464a_200000206031_100102657272 [0,1,1,0,0,0|2,0,0]=4 1010 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 512a_106832991638_200000206031 [0,1,1,0,0,0|2,0,0]=4 1011 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 512a_200000206031_100102657272 [0,1,1,0,0,0|2,0,0]=4 1012 B16R1.1166 NC(=NO)CCOCOCc1ccccc1 34a_100000749954_100000763385 [0,1,1,0,0,0|2,0,0]=4 1013 B16R1.7 COC(=O)CCCOCc1ccc(cc1)Br 34a_100000695286_100000742333 [0,1,1,0,0,0|2,0,0]=4 1014 B16R1.7 COC(=O)CCCOCc1ccc(cc1)C 34a_100011215236_100000742333 [0,1,1,0,0,0|2,0,0]=4 1015 B16R1.7 COC(=O)CCCOCc1ccc(cc1)C 7a_100011215236_100011218270 [0,1,1,0,0,0|2,0,0]=4 1016 B16R1.7 COC(=O)CCCOCc1ccc(cc1)Cl 34a_100000211118_100000742333 [0,1,1,0,0,0|2,0,0]=4 1017 B16R1.7 COC(=O)CCCOCc1ccc(cc1)Cl 7a_100000211118_100011218270 [0,1,1,0,0,0|2,0,0]=4 1018 B16R1.7 COC(=O)CCCOCc1ccc(cc1)F 34a_100000210977_100000742333 [0,1,1,0,0,0|2,0,0]=4 1019 B16R1.7 COC(=O)CCCOCc1ccc(cc1)F 7a_100000210977_100011218270 [0,1,1,0,0,0|2,0,0]=4 1020 B16R1.7 COC(=O)CCCOCc1ccc(cc1)I 34a_100000690907_100000742333 [0,1,1,0,0,0|2,0,0]=4 1021 B16R1.7 COC(=O)CCCOCc1ccc(cc1)I 7a_100000690907_100011218270 [0,1,1,0,0,0|2,0,0]=4 1022 B16R1.7 COC(=O)CCCOCc1ccc(cc1)N 34a_100011215238_100000742333 [0,1,1,0,0,0|2,0,0]=4 1023 B16R1.7 COC(=O)NCCOCc1ccc(cc1)Br 34a_100000757965_100000189115 [0,1,1,0,0,0|1,0,1]=4 1024 B16R1.7 COC(=O)NCCOCc1ccc(cc1)C 34a_100000757965_100000210814 [0,1,1,0,0,0|1,0,1]=4 1025 B16R1.7 COC(=O)NCCOCc1ccc(cc1)Cl 34a_100000757965_100000694040 [0,1,1,0,0,0|1,0,1]=4 1026 B16R1.7 COC(=O)NCCOCc1ccc(cc1)F 34a_100000757965_100000198546 [0,1,1,0,0,0|1,0,1]=4 1027 B16R1.7 COC(=O)NCCOCc1ccc(cc1)I 34a_100000757965_100000189116 [0,1,1,0,0,0|1,0,1]=4 1028 B16R1.7 COC(=O)OCCOCc1ccc(cc1)Br 34a_100010262106_100000189115 [0,1,1,0,0,0|2,0,0]=4 1029 B16R1.7 COC(=O)OCCOCc1ccc(cc1)C 34a_100010262106_100000210814 [0,1,1,0,0,0|2,0,0]=4 1030 B16R1.7 COC(=O)OCCOCc1ccc(cc1)Cl 34a_100010262106_100000694040 [0,1,1,0,0,0|2,0,0]=4 1031 B16R1.7 COC(=O)OCCOCc1ccc(cc1)F 34a_100010262106_100000198546 [0,1,1,0,0,0|2,0,0]=4 1032 B16R1.7 COC(=O)OCCOCc1ccc(cc1)I 34a_100010262106_100000189116 [0,1,1,0,0,0|2,0,0]=4 1033 B16R1.932 CCOC(=O)CCCOCc1ccccc1 34a_100000210790_100009991533 [0,1,1,0,0,0|2,0,0]=4 1034 B16R1.932 CCOC(=O)CCCOCc1ccccc1 7a_100000210790_100011215271 [0,1,1,0,0,0|2,0,0]=4 1035 B16R1.932 CCOC(=O)CCCOCc1ccccc1 7a_100012001163_100000211182 [0,1,1,0,0,0|2,0,0]=4 1036 B16R1.932 CCOC(=O)NCCOCc1ccccc1 34a_100000158857_100015291786 [0,1,1,0,0,0|1,0,1]=4 1037 B16R1.932 CCOC(=O)NCCOCc1ccccc1 7a_100000210790_200011445536 [0,1,1,0,0,0|1,0,1]=4 1038 B16R1.932 COCC(=O)CCCOCc1ccccc1 1458a_100000210968_100011215529 [0,1,1,0,0,0|2,0,0]=4 1039 B16R1.932 COCC(=O)NCCOCc1ccccc1 11a_100000753106_100000210968 [0,1,1,0,0,0|1,0,1]=4 1040 B16R1.932 COCC(=O)NCCOCc1ccccc1 1626a_100000753106_100000210968 [0,1,1,0,0,0|1,0,1]=4 1041 B16R1.932 COCC(=O)NCCOCc1ccccc1 240690a_100000753106_100000210968 [0,1,1,0,0,0|1,0,1]=4 1042 B16R1.932 COCC(=O)NCCOCc1ccccc1 527a_100000753106_100000210968 [0,1,1,0,0,0|1,0,1]=4 1043 B16R1.1132 COC(=O)CCCO[C@H](C)c1ccccc1 34a_100000761318_100000742333 [0,1,1,0,0,0|2,0,0]=4 1044 B16R1.1132 COC(=O)CCCO[C@H](C)c1ccccc1 7a_100000761318_100011218270 [0,1,1,0,0,0|2,0,0]=4 1045 B16R1.1132 COC(=O)NCCOC(C)c1ccccc1 34a_100000757965_100000211855 [0,1,1,0,0,0|1,0,1]=4 1046 B16R1.1132 COC(=O)OCCOC(C)c1ccccc1 34a_100010262106_100000211855 [0,1,1,0,0,0|2,0,0]=4 1047 B16R1.1133 COC(=O)CCCOCc1ccccc1Br 34a_100000756307_100000742333 [0,1,1,0,0,0|2,0,0]=4 1048 B16R1.1133 COC(=O)CCCOCc1ccccc1Br 7a_100000756307_100011218270 [0,1,1,0,0,0|2,0,0]=4 1049 B16R1.1133 COC(=O)CCCOCc1ccccc1C 34a_100000698903_100000742333 [0,1,1,0,0,0|2,0,0]=4 1050 B16R1.1133 COC(=O)CCCOCc1ccccc1C 7a_100000698903_100011218270 [0,1,1,0,0,0|2,0,0]=4 1051 B16R1.1133 COC(=O)CCCOCc1ccccc1Cl 34a_100000210847_100000742333 [0,1,1,0,0,0|2,0,0]=4 1052 B16R1.1133 COC(=O)CCCOCc1ccccc1Cl 7a_100000210847_100011218270 [0,1,1,0,0,0|2,0,0]=4 1053 B16R1.1133 COC(=O)CCCOCc1ccccc1F 34a_100000211962_100000742333 [0,1,1,0,0,0|2,0,0]=4 1054 B16R1.1133 COC(=O)CCCOCc1ccccc1F 7a_100000211962_100011218270 [0,1,1,0,0,0|2,0,0]=4 1055 B16R1.1133 COC(=O)CCCOCc1ccccc1I 34a_100000187465_100000742333 [0,1,1,0,0,0|2,0,0]=4 1056 B16R1.1133 COC(=O)CCCOCc1ccccc1I 7a_100000187465_100011218270 [0,1,1,0,0,0|2,0,0]=4 1057 B16R1.1133 COC(=O)CCCOCc1ccccc1N 34a_100000212039_100000742333 [0,1,1,0,0,0|2,0,0]=4 1058 B16R1.1133 COC(=O)NCCOCc1ccccc1Br 34a_100000757965_100000184730 [0,1,1,0,0,0|1,0,1]=4 1059 B16R1.1133 COC(=O)NCCOCc1ccccc1C 34a_100000757965_100000211839 [0,1,1,0,0,0|1,0,1]=4 1060 B16R1.1133 COC(=O)NCCOCc1ccccc1Cl 34a_100000757965_100000187162 [0,1,1,0,0,0|1,0,1]=4 1061 B16R1.1133 COC(=O)NCCOCc1ccccc1F 34a_100000757965_100000211605 [0,1,1,0,0,0|1,0,1]=4 1062 B16R1.1133 COC(=O)NCCOCc1ccccc1I 34a_100000757965_100011215278 [0,1,1,0,0,0|1,0,1]=4 1063 B16R1.1133 COC(=O)OCCOCc1ccccc1Br 34a_100010262106_100000184730 [0,1,1,0,0,0|2,0,0]=4 1064 B16R1.1133 COC(=O)OCCOCc1ccccc1C 34a_100010262106_100000211839 [0,1,1,0,0,0|2,0,0]=4 1065 B16R1.1133 COC(=O)OCCOCc1ccccc1Cl 34a_100010262106_100000187162 [0,1,1,0,0,0|2,0,0]=4 1066 B16R1.1133 COC(=O)OCCOCc1ccccc1F 34a_100010262106_100000211605 [0,1,1,0,0,0|2,0,0]=4 1067 B16R1.1133 COC(=O)OCCOCc1ccccc1I 34a_100010262106_100011215278 [0,1,1,0,0,0|2,0,0]=4 1068 B16R1.1146 COC(=O)CCCOCc1cccc(c1)Br 34a_100000687537_100000742333 [0,1,1,0,0,0|2,0,0]=4 1069 B16R1.1146 COC(=O)CCCOCc1cccc(c1)Br 7a_100000687537_100011218270 [0,1,1,0,0,0|2,0,0]=4 1070 B16R1.1146 COC(=O)CCCOCc1cccc(c1)C 34a_100011217746_100000742333 [0,1,1,0,0,0|2,0,0]=4 1071 B16R1.1146 COC(=O)CCCOCc1cccc(c1)C 7a_100011217746_100011218270 [0,1,1,0,0,0|2,0,0]=4 1072 B16R1.1146 COC(=O)CCCOCc1cccc(c1)Cl 34a_100000241301_100000742333 [0,1,1,0,0,0|2,0,0]=4 1073 B16R1.1146 COC(=O)CCCOCc1cccc(c1)Cl 7a_100000241301_100011218270 [0,1,1,0,0,0|2,0,0]=4 1074 B16R1.1146 COC(=O)CCCOCc1cccc(c1)F 34a_100000210976_100000742333 [0,1,1,0,0,0|2,0,0]=4 1075 B16R1.1146 COC(=O)CCCOCc1cccc(c1)F 7a_100000210976_100011218270 [0,1,1,0,0,0|2,0,0]=4 1076 B16R1.1146 COC(=O)CCCOCc1cccc(c1)I 34a_100011215336_100000742333 [0,1,1,0,0,0|2,0,0]=4 1077 B16R1.1146 COC(=O)CCCOCc1cccc(c1)I 7a_100011215336_100011218270 [0,1,1,0,0,0|2,0,0]=4 1078 B16R1.1146 COC(=O)CCCOCc1cccc(c1)N 34a_100000211919_100000742333 [0,1,1,0,0,0|2,0,0]=4 1079 B16R1.1146 COC(=O)NCCOCc1cccc(c1)Br 34a_100000757965_100000698116 [0,1,1,0,0,0|1,0,1]=4 1080 B16R1.1146 COC(=O)NCCOCc1cccc(c1)C 34a_100000757965_100000211840 [0,1,1,0,0,0|1,0,1]=4 1081 B16R1.1146 COC(=O)NCCOCc1cccc(c1)Cl 34a_100000757965_100000187163 [0,1,1,0,0,0|1,0,1]=4 1082 B16R1.1146 COC(=O)NCCOCc1cccc(c1)F 34a_100000757965_100000187166 [0,1,1,0,0,0|1,0,1]=4 1083 B16R1.1146 COC(=O)NCCOCc1cccc(c1)I 34a_100000757965_100011218688 [0,1,1,0,0,0|1,0,1]=4 1084 B16R1.1146 COC(=O)NCCOCc1cccc(c1)O 34a_100000757965_100011660834 [0,1,1,0,0,0|1,0,1]=4 1085 B16R1.1146 COC(=O)OCCOCc1cccc(c1)Br 34a_100010262106_100000698116 [0,1,1,0,0,0|2,0,0]=4 1086 B16R1.1146 COC(=O)OCCOCc1cccc(c1)C 34a_100010262106_100000211840 [0,1,1,0,0,0|2,0,0]=4 1087 B16R1.1146 COC(=O)OCCOCc1cccc(c1)Cl 34a_100010262106_100000187163 [0,1,1,0,0,0|2,0,0]=4 1088 B16R1.1146 COC(=O)OCCOCc1cccc(c1)F 34a_100010262106_100000187166 [0,1,1,0,0,0|2,0,0]=4 1089 B16R1.1146 COC(=O)OCCOCc1cccc(c1)I 34a_100010262106_100011218688 [0,1,1,0,0,0|2,0,0]=4 1090 B16R1.1146 COC(=O)OCCOCc1cccc(c1)O 34a_100010262106_100011660834 [0,1,1,0,0,0|2,0,0]=4 1091 B16R1.1635 COC(=O)C(C)CCOCc1ccccc1 34a_100000210790_100000034942 [0,1,1,0,0,0|2,0,0]=4 1092 B16R1.1635 COC(=O)C(C)CCOCc1ccccc1 7a_100000210790_100000034942 [0,1,1,0,0,0|2,0,0]=4 1093 B16R1.2934 CC(=O)N[C@H](CO)COCc1ccccc1 240690a_100016995297_100015343762 [0,1,1,0,0,0|1,0,1]=4 1094 B16R1.2934 CC(=O)N[C@H](CO)COCc1ccccc1 527a_100016995297_100103153847 [0,1,1,0,0,0|1,0,1]=4 1095 B16R2.135 Brc1ccc(cc1)COCC2CC=CC2 34a_100000688395_100000189115 [1,1,0,0,0,0|2,0,0]=4 1096 B16R2.135 Brc1ccc(cc1)COCC2CCOC2 34a_100000695286_100011261433 [1,1,0,0,0,0|1,0,1]=4 1097 B16R2.135 Brc1ccc(cc1)COCC2CCOC2 34a_100000740260_100000189115 [1,1,0,0,0,0|1,0,1]=4 1098 B16R2.135 Brc1ccc(cc1)COCC2COCO2 34a_100011216627_100000189115 [1,1,0,0,0,0|1,0,1]=4 1099 B16R2.135 Brc1ccc(cc1)COCc2ncon2 34a_100000695286_100000233494 [1,1,0,0,0,0|1,0,1]=4 1100 B16R2.135 Cc1ccc(cc1)COCC2CC=CC2 34a_100000688395_100000210814 [1,1,0,0,0,0|2,0,0]=4 1101 B16R2.135 Cc1ccc(cc1)COCC2CCOC2 34a_100000740260_100000210814 [1,1,0,0,0,0|1,0,1]=4 1102 B16R2.135 Cc1ccc(cc1)COCC2CCOC2 34a_100011215236_100011261433 [1,1,0,0,0,0|1,0,1]=4 1103 B16R2.135 Cc1ccc(cc1)COCC2CCOC2 7a_100011215236_100000702531 [1,1,0,0,0,0|1,0,1]=4 1104 B16R2.135 Cc1ccc(cc1)COCC2COCO2 34a_100011216627_100000210814 [1,1,0,0,0,0|1,0,1]=4 1105 B16R2.135 Cc1ccc(cc1)COCc2ncon2 34a_100011215236_100000233494 [1,1,0,0,0,0|1,0,1]=4 1106 B16R2.135 Clc1ccc(cc1)COCC2CC=CC2 34a_100000688395_100000694040 [1,1,0,0,0,0|2,0,0]=4 1107 B16R2.135 Clc1ccc(cc1)COCC2CCOC2 34a_100000211118_100011261433 [1,1,0,0,0,0|1,0,1]=4 1108 B16R2.135 Clc1ccc(cc1)COCC2CCOC2 34a_100000740260_100000694040 [1,1,0,0,0,0|1,0,1]=4 1109 B16R2.135 Clc1ccc(cc1)COCC2CCOC2 7a_100000211118_100000702531 [1,1,0,0,0,0|1,0,1]=4 1110 B16R2.135 Clc1ccc(cc1)COCC2COCO2 34a_100011216627_100000694040 [1,1,0,0,0,0|1,0,1]=4 1111 B16R2.135 Clc1ccc(cc1)COCc2ncon2 34a_100000211118_100000233494 [1,1,0,0,0,0|1,0,1]=4 1112 B16R2.135 Fc1ccc(cc1)COCC2CC=CC2 34a_100000688395_100000198546 [1,1,0,0,0,0|2,0,0]=4 1113 B16R2.135 Fc1ccc(cc1)COCC2CCOC2 34a_100000210977_100011261433 [1,1,0,0,0,0|1,0,1]=4 1114 B16R2.135 Fc1ccc(cc1)COCC2CCOC2 34a_100000740260_100000198546 [1,1,0,0,0,0|1,0,1]=4 1115 B16R2.135 Fc1ccc(cc1)COCC2CCOC2 7a_100000210977_100000702531 [1,1,0,0,0,0|1,0,1]=4 1116 B16R2.135 Fc1ccc(cc1)COCC2COCO2 34a_100011216627_100000198546 [1,1,0,0,0,0|1,0,1]=4 1117 B16R2.135 Fc1ccc(cc1)COCc2ncon2 34a_100000210977_100000233494 [1,1,0,0,0,0|1,0,1]=4 1118 B16R2.135 Ic1ccc(cc1)COCC2CC=CC2 34a_100000688395_100000189116 [1,1,0,0,0,0|2,0,0]=4 1119 B16R2.135 Ic1ccc(cc1)COCC2CCOC2 34a_100000690907_100011261433 [1,1,0,0,0,0|1,0,1]=4 1120 B16R2.135 Ic1ccc(cc1)COCC2CCOC2 34a_100000740260_100000189116 [1,1,0,0,0,0|1,0,1]=4 1121 B16R2.135 Ic1ccc(cc1)COCC2CCOC2 7a_100000690907_100000702531 [1,1,0,0,0,0|1,0,1]=4 1122 B16R2.135 Ic1ccc(cc1)COCC2COCO2 34a_100011216627_100000189116 [1,1,0,0,0,0|1,0,1]=4 1123 B16R2.135 Ic1ccc(cc1)COCc2ncon2 34a_100000690907_100000233494 [1,1,0,0,0,0|1,0,1]=4 1124 B16R2.135 Nc1ccc(cc1)COCC2CCOC2 34a_100011215238_100011261433 [1,1,0,0,0,0|1,0,1]=4 1125 B16R2.135 Nc1ccc(cc1)COCc2ncon2 34a_100011215238_100000233494 [1,1,0,0,0,0|1,0,1]=4 1126 B16R2.255 Brc1cccc(c1)COCC2CC=CC2 34a_100000688395_100000698116 [1,1,0,0,0,0|2,0,0]=4 1127 B16R2.255 Brc1cccc(c1)COCC2CCOC2 34a_100000687537_100011261433 [1,1,0,0,0,0|1,0,1]=4 1128 B16R2.255 Brc1cccc(c1)COCC2CCOC2 34a_100000740260_100000698116 [1,1,0,0,0,0|1,0,1]=4 1129 B16R2.255 Brc1cccc(c1)COCC2CCOC2 7a_100000687537_100000702531 [1,1,0,0,0,0|1,0,1]=4 1130 B16R2.255 Brc1cccc(c1)COCC2COCO2 34a_100011216627_100000698116 [1,1,0,0,0,0|1,0,1]=4 1131 B16R2.255 Brc1cccc(c1)COCc2ncon2 34a_100000687537_100000233494 [1,1,0,0,0,0|1,0,1]=4 1132 B16R2.255 Cc1cccc(c1)COCC2CC=CC2 34a_100000688395_100000211840 [1,1,0,0,0,0|2,0,0]=4 1133 B16R2.255 Cc1cccc(c1)COCC2CCOC2 34a_100000740260_100000211840 [1,1,0,0,0,0|1,0,1]=4 1134 B16R2.255 Cc1cccc(c1)COCC2CCOC2 34a_100011217746_100011261433 [1,1,0,0,0,0|1,0,1]=4 1135 B16R2.255 Cc1cccc(c1)COCC2CCOC2 7a_100011217746_100000702531 [1,1,0,0,0,0|1,0,1]=4 1136 B16R2.255 Cc1cccc(c1)COCC2COCO2 34a_100011216627_100000211840 [1,1,0,0,0,0|1,0,1]=4 1137 B16R2.255 Cc1cccc(c1)COCc2ncon2 34a_100011217746_100000233494 [1,1,0,0,0,0|1,0,1]=4 1138 B16R2.255 Clc1cccc(c1)COCC2CC=CC2 34a_100000688395_100000187163 [1,1,0,0,0,0|2,0,0]=4 1139 B16R2.255 Clc1cccc(c1)COCC2CCOC2 34a_100000241301_100011261433 [1,1,0,0,0,0|1,0,1]=4 1140 B16R2.255 Clc1cccc(c1)COCC2CCOC2 34a_100000740260_100000187163 [1,1,0,0,0,0|1,0,1]=4 1141 B16R2.255 Clc1cccc(c1)COCC2CCOC2 7a_100000241301_100000702531 [1,1,0,0,0,0|1,0,1]=4 1142 B16R2.255 Clc1cccc(c1)COCC2COCO2 34a_100011216627_100000187163 [1,1,0,0,0,0|1,0,1]=4 1143 B16R2.255 Clc1cccc(c1)COCc2ncon2 34a_100000241301_100000233494 [1,1,0,0,0,0|1,0,1]=4 1144 B16R2.255 Fc1cccc(c1)COCC2CC=CC2 34a_100000688395_100000187166 [1,1,0,0,0,0|2,0,0]=4 1145 B16R2.255 Fc1cccc(c1)COCC2CCOC2 34a_100000210976_100011261433 [1,1,0,0,0,0|1,0,1]=4 1146 B16R2.255 Fc1cccc(c1)COCC2CCOC2 34a_100000740260_100000187166 [1,1,0,0,0,0|1,0,1]=4 1147 B16R2.255 Fc1cccc(c1)COCC2CCOC2 7a_100000210976_100000702531 [1,1,0,0,0,0|1,0,1]=4 1148 B16R2.255 Fc1cccc(c1)COCC2COCO2 34a_100011216627_100000187166 [1,1,0,0,0,0|1,0,1]=4 1149 B16R2.255 Fc1cccc(c1)COCc2ncon2 34a_100000210976_100000233494 [1,1,0,0,0,0|1,0,1]=4 1150 B16R2.255 Ic1cccc(c1)COCC2CC=CC2 34a_100000688395_100011218688 [1,1,0,0,0,0|2,0,0]=4 1151 B16R2.255 Ic1cccc(c1)COCC2CCOC2 34a_100000740260_100011218688 [1,1,0,0,0,0|1,0,1]=4 1152 B16R2.255 Ic1cccc(c1)COCC2CCOC2 34a_100011215336_100011261433 [1,1,0,0,0,0|1,0,1]=4 1153 B16R2.255 Ic1cccc(c1)COCC2CCOC2 7a_100011215336_100000702531 [1,1,0,0,0,0|1,0,1]=4 1154 B16R2.255 Ic1cccc(c1)COCC2COCO2 34a_100011216627_100011218688 [1,1,0,0,0,0|1,0,1]=4 1155 B16R2.255 Ic1cccc(c1)COCc2ncon2 34a_100011215336_100000233494 [1,1,0,0,0,0|1,0,1]=4 1156 B16R2.255 Nc1cccc(c1)COCC2CCOC2 34a_100000211919_100011261433 [1,1,0,0,0,0|1,0,1]=4 1157 B16R2.255 Nc1cccc(c1)COCc2ncon2 34a_100000211919_100000233494 [1,1,0,0,0,0|1,0,1]=4 1158 B16R2.255 Oc1cccc(c1)COCC2CC=CC2 34a_100000688395_100011660834 [1,1,0,0,0,0|2,0,0]=4 1159 B16R2.255 Oc1cccc(c1)COCC2CCOC2 34a_100000740260_100011660834 [1,1,0,0,0,0|1,0,1]=4 1160 B16R2.255 Oc1cccc(c1)COCC2COCO2 34a_100011216627_100011660834 [1,1,0,0,0,0|1,0,1]=4 1161 B16R2.2959 Brc1ccccc1COCC2CC=CC2 34a_100000688395_100000184730 [1,1,0,0,0,0|2,0,0]=4 1162 B16R2.2959 Brc1ccccc1COCC2CCOC2 34a_100000740260_100000184730 [1,1,0,0,0,0|1,0,1]=4 1163 B16R2.2959 Brc1ccccc1COCC2CCOC2 34a_100000756307_100011261433 [1,1,0,0,0,0|1,0,1]=4 1164 B16R2.2959 Brc1ccccc1COCC2CCOC2 7a_100000756307_100000702531 [1,1,0,0,0,0|1,0,1]=4 1165 B16R2.2959 Brc1ccccc1COCC2COCO2 34a_100011216627_100000184730 [1,1,0,0,0,0|1,0,1]=4 1166 B16R2.2959 Brc1ccccc1COCc2ncon2 34a_100000756307_100000233494 [1,1,0,0,0,0|1,0,1]=4 1167 B16R2.2959 Cc1ccccc1COCC2CC=CC2 34a_100000688395_100000211839 [1,1,0,0,0,0|2,0,0]=4 1168 B16R2.2959 Cc1ccccc1COCC2CCOC2 34a_100000698903_100011261433 [1,1,0,0,0,0|1,0,1]=4 1169 B16R2.2959 Cc1ccccc1COCC2CCOC2 34a_100000740260_100000211839 [1,1,0,0,0,0|1,0,1]=4 1170 B16R2.2959 Cc1ccccc1COCC2CCOC2 7a_100000698903_100000702531 [1,1,0,0,0,0|1,0,1]=4 1171 B16R2.2959 Cc1ccccc1COCC2COCO2 34a_100011216627_100000211839 [1,1,0,0,0,0|1,0,1]=4 1172 B16R2.2959 Cc1ccccc1COCc2ncon2 34a_100000698903_100000233494 [1,1,0,0,0,0|1,0,1]=4 1173 B16R2.2959 Clc1ccccc1COCC2CC=CC2 34a_100000688395_100000187162 [1,1,0,0,0,0|2,0,0]=4 1174 B16R2.2959 Clc1ccccc1COCC2CCOC2 34a_100000210847_100011261433 [1,1,0,0,0,0|1,0,1]=4 1175 B16R2.2959 Clc1ccccc1COCC2CCOC2 34a_100000740260_100000187162 [1,1,0,0,0,0|1,0,1]=4 1176 B16R2.2959 Clc1ccccc1COCC2CCOC2 7a_100000210847_100000702531 [1,1,0,0,0,0|1,0,1]=4 1177 B16R2.2959 Clc1ccccc1COCC2COCO2 34a_100011216627_100000187162 [1,1,0,0,0,0|1,0,1]=4 1178 B16R2.2959 Clc1ccccc1COCc2ncon2 34a_100000210847_100000233494 [1,1,0,0,0,0|1,0,1]=4 1179 B16R2.2959 Fc1ccccc1COCC2CC=CC2 34a_100000688395_100000211605 [1,1,0,0,0,0|2,0,0]=4 1180 B16R2.2959 Fc1ccccc1COCC2CCOC2 34a_100000211962_100011261433 [1,1,0,0,0,0|1,0,1]=4 1181 B16R2.2959 Fc1ccccc1COCC2CCOC2 34a_100000740260_100000211605 [1,1,0,0,0,0|1,0,1]=4 1182 B16R2.2959 Fc1ccccc1COCC2CCOC2 7a_100000211962_100000702531 [1,1,0,0,0,0|1,0,1]=4 1183 B16R2.2959 Fc1ccccc1COCC2COCO2 34a_100011216627_100000211605 [1,1,0,0,0,0|1,0,1]=4 1184 B16R2.2959 Fc1ccccc1COCc2ncon2 34a_100000211962_100000233494 [1,1,0,0,0,0|1,0,1]=4 1185 B16R2.2959 Ic1ccccc1COCC2CC=CC2 34a_100000688395_100011215278 [1,1,0,0,0,0|2,0,0]=4 1186 B16R2.2959 Ic1ccccc1COCC2CCOC2 34a_100000187465_100011261433 [1,1,0,0,0,0|1,0,1]=4 1187 B16R2.2959 Ic1ccccc1COCC2CCOC2 34a_100000740260_100011215278 [1,1,0,0,0,0|1,0,1]=4 1188 B16R2.2959 Ic1ccccc1COCC2CCOC2 7a_100000187465_100000702531 [1,1,0,0,0,0|1,0,1]=4 1189 B16R2.2959 Ic1ccccc1COCC2COCO2 34a_100011216627_100011215278 [1,1,0,0,0,0|1,0,1]=4 1190 B16R2.2959 Ic1ccccc1COCc2ncon2 34a_100000187465_100000233494 [1,1,0,0,0,0|1,0,1]=4 1191 B16R2.2959 Nc1ccccc1COCC2CCOC2 34a_100000212039_100011261433 [1,1,0,0,0,0|1,0,1]=4 1192 B16R2.2959 Nc1ccccc1COCc2ncon2 34a_100000212039_100000233494 [1,1,0,0,0,0|1,0,1]=4 1193 B16R2.3250 Cc1ocnc1COCc2ccccc2 34a_100000210790_200000693990 [1,1,0,0,0,0|0,0,2]=4 1194 B16R2.3250 Cc1ocnc1COCc2ccccc2 34a_100012017639_100015291786 [1,1,0,0,0,0|0,0,2]=4 1195 B16R2.3250 Cc1ocnc1COCc2ccccc2 7a_100000210790_200000693990 [1,1,0,0,0,0|0,0,2]=4 1196 B16R2.5767 CC(OCC1CC=CC1)c2ccccc2 34a_100000688395_100000211855 [1,1,0,0,0,0|2,0,0]=4 1197 B16R2.5767 CC(OCC1CCOC1)c2ccccc2 34a_100000740260_100000211855 [1,1,0,0,0,0|1,0,1]=4 1198 B16R2.5767 CC(OCC1COCO1)c2ccccc2 34a_100011216627_100000211855 [1,1,0,0,0,0|1,0,1]=4 1199 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 34a_100000761318_100011261433 [1,1,0,0,0,0|1,0,1]=4 1200 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 7a_100000761318_100000702531 [1,1,0,0,0,0|1,0,1]=4 1201 B16R2.5767 C[C@@H](OCc1ncon1)c2ccccc2 34a_100000761318_100000233494 [1,1,0,0,0,0|1,0,1]=4 1202 B16R2.137 Cc1ccc(cc1)COC2COC(=O)O2 34a_100011215236_100000032252 [0,1,0,0,1,0|2,0,0]=4 1203 B16R2.137 Cc1ccc(cc1)OCC2COC(=O)O2 34a_100000210336_100000073702 [0,1,0,0,1,0|2,0,0]=4 1204 B16R2.137 Cc1ccc(cc1)OC[C@H]2COC(=O)N2 34a_100000210336_100015307671 [0,1,0,0,1,0|1,0,1]=4 1205 B16R2.137 Cc1ccc(cc1)OC[C@H]2COC(=O)N2 7a_100000210336_100015307671 [0,1,0,0,1,0|1,0,1]=4 1206 B16R2.137 Nc1ccc(cc1)COC2COC(=O)O2 34a_100011215238_100000032252 [0,1,0,0,1,0|2,0,0]=4 1207 B16R2.137 Nc1ccc(cc1)OCC2COC(=O)O2 34a_100000185829_100000073702 [0,1,0,0,1,0|2,0,0]=4 1208 B16R2.137 Nc1ccc(cc1)OC[C@H]2COC(=O)N2 34a_100000185829_100015307671 [0,1,0,0,1,0|1,0,1]=4 1209 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 34a_100000185759_100015307671 [0,1,0,0,1,0|1,0,1]=4 1210 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 7a_100000185759_100015307671 [0,1,0,0,1,0|1,0,1]=4 1211 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Cl 34a_100000210216_100015307671 [0,1,0,0,1,0|1,0,1]=4 1212 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Cl 7a_100000210216_100015307671 [0,1,0,0,1,0|1,0,1]=4 1213 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)F 34a_100000210339_100015307671 [0,1,0,0,1,0|1,0,1]=4 1214 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)I 34a_100000212066_100015307671 [0,1,0,0,1,0|1,0,1]=4 1215 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)I 7a_100000212066_100015307671 [0,1,0,0,1,0|1,0,1]=4 1216 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Br 34a_100000185759_100000073702 [0,1,0,0,1,0|2,0,0]=4 1217 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Cl 34a_100000210216_100000073702 [0,1,0,0,1,0|2,0,0]=4 1218 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)F 34a_100000210339_100000073702 [0,1,0,0,1,0|2,0,0]=4 1219 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)I 34a_100000212066_100000073702 [0,1,0,0,1,0|2,0,0]=4 1220 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Br 34a_100000695286_100000032252 [0,1,0,0,1,0|2,0,0]=4 1221 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Cl 34a_100000211118_100000032252 [0,1,0,0,1,0|2,0,0]=4 1222 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)F 34a_100000210977_100000032252 [0,1,0,0,1,0|2,0,0]=4 1223 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)I 34a_100000690907_100000032252 [0,1,0,0,1,0|2,0,0]=4 1224 B16R2.258 Cc1cccc(c1)COC2COC(=O)O2 34a_100011217746_100000032252 [0,1,0,0,1,0|2,0,0]=4 1225 B16R2.258 Cc1cccc(c1)OCC2COC(=O)O2 34a_100000210337_100000073702 [0,1,0,0,1,0|2,0,0]=4 1226 B16R2.258 Cc1cccc(c1)OC[C@H]2COC(=O)N2 34a_100000210337_100015307671 [0,1,0,0,1,0|1,0,1]=4 1227 B16R2.258 Cc1cccc(c1)OC[C@H]2COC(=O)N2 7a_100000210337_100015307671 [0,1,0,0,1,0|1,0,1]=4 1228 B16R2.258 Nc1cccc(c1)COC2COC(=O)O2 34a_100000211919_100000032252 [0,1,0,0,1,0|2,0,0]=4 1229 B16R2.258 Nc1cccc(c1)OCC2COC(=O)O2 34a_100000210217_100000073702 [0,1,0,0,1,0|2,0,0]=4 1230 B16R2.258 Nc1cccc(c1)OC[C@H]2COC(=O)N2 34a_100000210217_100015307671 [0,1,0,0,1,0|1,0,1]=4 1231 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Br 34a_100000210342_100015307671 [0,1,0,0,1,0|1,0,1]=4 1232 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Br 7a_100000210342_100015307671 [0,1,0,0,1,0|1,0,1]=4 1233 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Cl 34a_100000210295_100015307671 [0,1,0,0,1,0|1,0,1]=4 1234 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Cl 7a_100000210295_100015307671 [0,1,0,0,1,0|1,0,1]=4 1235 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)F 34a_100000210426_100015307671 [0,1,0,0,1,0|1,0,1]=4 1236 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)F 7a_100000210426_100015307671 [0,1,0,0,1,0|1,0,1]=4 1237 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)I 34a_100000211634_100015307671 [0,1,0,0,1,0|1,0,1]=4 1238 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)I 7a_100000211634_100015307671 [0,1,0,0,1,0|1,0,1]=4 1239 B16R2.258 O=C1OCC(O1)COc2cccc(c2)Br 34a_100000210342_100000073702 [0,1,0,0,1,0|2,0,0]=4 1240 B16R2.258 O=C1OCC(O1)COc2cccc(c2)Cl 34a_100000210295_100000073702 [0,1,0,0,1,0|2,0,0]=4 1241 B16R2.258 O=C1OCC(O1)COc2cccc(c2)F 34a_100000210426_100000073702 [0,1,0,0,1,0|2,0,0]=4 1242 B16R2.258 O=C1OCC(O1)COc2cccc(c2)I 34a_100000211634_100000073702 [0,1,0,0,1,0|2,0,0]=4 1243 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)Br 34a_100000687537_100000032252 [0,1,0,0,1,0|2,0,0]=4 1244 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)Cl 34a_100000241301_100000032252 [0,1,0,0,1,0|2,0,0]=4 1245 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)F 34a_100000210976_100000032252 [0,1,0,0,1,0|2,0,0]=4 1246 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)I 34a_100011215336_100000032252 [0,1,0,0,1,0|2,0,0]=4 1247 B16R2.2829 C[C@@H](OC1COC(=O)O1)c2ccccc2 34a_100000761318_100000032252 [0,1,0,0,1,0|2,0,0]=4 1248 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccc2 1458a_100000002200_100015291786 [0,1,0,0,1,0|0,1,1]=4 1249 B16R2.11414 Cc1ccccc1COC2COC(=O)O2 34a_100000698903_100000032252 [0,1,0,0,1,0|2,0,0]=4 1250 B16R2.11414 Cc1ccccc1OCC2COC(=O)O2 34a_100000210338_100000073702 [0,1,0,0,1,0|2,0,0]=4 1251 B16R2.11414 Cc1ccccc1OC[C@H]2COC(=O)N2 34a_100000210338_100015307671 [0,1,0,0,1,0|1,0,1]=4 1252 B16R2.11414 Cc1ccccc1OC[C@H]2COC(=O)N2 7a_100000210338_100015307671 [0,1,0,0,1,0|1,0,1]=4 1253 B16R2.11414 Nc1ccccc1COC2COC(=O)O2 34a_100000212039_100000032252 [0,1,0,0,1,0|2,0,0]=4 1254 B16R2.11414 Nc1ccccc1OCC2COC(=O)O2 34a_100000185747_100000073702 [0,1,0,0,1,0|2,0,0]=4 1255 B16R2.11414 Nc1ccccc1OC[C@H]2COC(=O)N2 34a_100000185747_100015307671 [0,1,0,0,1,0|1,0,1]=4 1256 B16R2.11414 Nc1ccccc1OC[C@H]2COC(=O)N2 7a_100000185747_100015307671 [0,1,0,0,1,0|1,0,1]=4 1257 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Br 34a_100000181306_100015307671 [0,1,0,0,1,0|1,0,1]=4 1258 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Br 7a_100000181306_100015307671 [0,1,0,0,1,0|1,0,1]=4 1259 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Cl 34a_100000210172_100015307671 [0,1,0,0,1,0|1,0,1]=4 1260 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Cl 7a_100000210172_100015307671 [0,1,0,0,1,0|1,0,1]=4 1261 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2F 34a_100000210171_100015307671 [0,1,0,0,1,0|1,0,1]=4 1262 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2F 7a_100000210171_100015307671 [0,1,0,0,1,0|1,0,1]=4 1263 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2I 34a_100000739446_100015307671 [0,1,0,0,1,0|1,0,1]=4 1264 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2I 7a_100000739446_100015307671 [0,1,0,0,1,0|1,0,1]=4 1265 B16R2.11414 O=C1OCC(O1)COc2ccccc2Br 34a_100000181306_100000073702 [0,1,0,0,1,0|2,0,0]=4 1266 B16R2.11414 O=C1OCC(O1)COc2ccccc2Cl 34a_100000210172_100000073702 [0,1,0,0,1,0|2,0,0]=4 1267 B16R2.11414 O=C1OCC(O1)COc2ccccc2F 34a_100000210171_100000073702 [0,1,0,0,1,0|2,0,0]=4 1268 B16R2.11414 O=C1OCC(O1)COc2ccccc2I 34a_100000739446_100000073702 [0,1,0,0,1,0|2,0,0]=4 1269 B16R2.11414 O=C1OCC(O1)OCc2ccccc2Br 34a_100000756307_100000032252 [0,1,0,0,1,0|2,0,0]=4 1270 B16R2.11414 O=C1OCC(O1)OCc2ccccc2Cl 34a_100000210847_100000032252 [0,1,0,0,1,0|2,0,0]=4 1271 B16R2.11414 O=C1OCC(O1)OCc2ccccc2F 34a_100000211962_100000032252 [0,1,0,0,1,0|2,0,0]=4 1272 B16R2.11414 O=C1OCC(O1)OCc2ccccc2I 34a_100000187465_100000032252 [0,1,0,0,1,0|2,0,0]=4 1273 B16R2.1141 C=C1CC(C1)COCc2ccc(cc2)Br 34a_100011011225_100000189115 [0,1,0,0,1,0|2,0,0]=4 1274 B16R2.1141 C=C1CC(C1)COCc2ccc(cc2)C 34a_100011011225_100000210814 [0,1,0,0,1,0|2,0,0]=4 1275 B16R2.1141 C=C1CC(C1)COCc2ccc(cc2)Cl 34a_100011011225_100000694040 [0,1,0,0,1,0|2,0,0]=4 1276 B16R2.1141 C=C1CC(C1)COCc2ccc(cc2)F 34a_100011011225_100000198546 [0,1,0,0,1,0|2,0,0]=4 1277 B16R2.1141 C=C1CC(C1)COCc2ccc(cc2)I 34a_100011011225_100000189116 [0,1,0,0,1,0|2,0,0]=4 1278 B16R2.1141 Cc1ccc(cc1)COCC2CC(=O)C2 34a_100000101936_100000210814 [0,1,0,0,1,0|2,0,0]=4 1279 B16R2.1141 Cc1ccc(cc1)COCC2CC(=O)C2 7a_100011215236_100009874392 [0,1,0,0,1,0|2,0,0]=4 1280 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)Br 34a_100000101936_100000189115 [0,1,0,0,1,0|2,0,0]=4 1281 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)Cl 34a_100000101936_100000694040 [0,1,0,0,1,0|2,0,0]=4 1282 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)Cl 7a_100000211118_100009874392 [0,1,0,0,1,0|2,0,0]=4 1283 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)F 34a_100000101936_100000198546 [0,1,0,0,1,0|2,0,0]=4 1284 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)F 7a_100000210977_100009874392 [0,1,0,0,1,0|2,0,0]=4 1285 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)I 34a_100000101936_100000189116 [0,1,0,0,1,0|2,0,0]=4 1286 B16R2.1141 O=C1CC(C1)COCc2ccc(cc2)I 7a_100000690907_100009874392 [0,1,0,0,1,0|2,0,0]=4 1287 B16R2.1878 CNC1CC(C1)COCc2ccccc2 270004a_106832991635_100000091787 [0,1,0,0,1,0|1,0,1]=4 1288 B16R2.3326 C=C1CC(C1)COC(C)c2ccccc2 34a_100011011225_100000211855 [0,1,0,0,1,0|2,0,0]=4 1289 B16R2.3326 CC(OCC1CC(=O)C1)c2ccccc2 34a_100000101936_100000211855 [0,1,0,0,1,0|2,0,0]=4 1290 B16R2.3326 C[C@@H](OCC1CC(=O)C1)c2ccccc2 7a_100000761318_100009874392 [0,1,0,0,1,0|2,0,0]=4 1291 B16R2.12432 C=C1CC(C1)COCc2ccccc2Br 34a_100011011225_100000184730 [0,1,0,0,1,0|2,0,0]=4 1292 B16R2.12432 C=C1CC(C1)COCc2ccccc2C 34a_100011011225_100000211839 [0,1,0,0,1,0|2,0,0]=4 1293 B16R2.12432 C=C1CC(C1)COCc2ccccc2Cl 34a_100011011225_100000187162 [0,1,0,0,1,0|2,0,0]=4 1294 B16R2.12432 C=C1CC(C1)COCc2ccccc2F 34a_100011011225_100000211605 [0,1,0,0,1,0|2,0,0]=4 1295 B16R2.12432 C=C1CC(C1)COCc2ccccc2I 34a_100011011225_100011215278 [0,1,0,0,1,0|2,0,0]=4 1296 B16R2.12432 Cc1ccccc1COCC2CC(=O)C2 34a_100000101936_100000211839 [0,1,0,0,1,0|2,0,0]=4 1297 B16R2.12432 Cc1ccccc1COCC2CC(=O)C2 7a_100000698903_100009874392 [0,1,0,0,1,0|2,0,0]=4 1298 B16R2.12432 O=C1CC(C1)COCc2ccccc2Br 34a_100000101936_100000184730 [0,1,0,0,1,0|2,0,0]=4 1299 B16R2.12432 O=C1CC(C1)COCc2ccccc2Br 7a_100000756307_100009874392 [0,1,0,0,1,0|2,0,0]=4 1300 B16R2.12432 O=C1CC(C1)COCc2ccccc2Cl 34a_100000101936_100000187162 [0,1,0,0,1,0|2,0,0]=4 1301 B16R2.12432 O=C1CC(C1)COCc2ccccc2Cl 7a_100000210847_100009874392 [0,1,0,0,1,0|2,0,0]=4 1302 B16R2.12432 O=C1CC(C1)COCc2ccccc2F 34a_100000101936_100000211605 [0,1,0,0,1,0|2,0,0]=4 1303 B16R2.12432 O=C1CC(C1)COCc2ccccc2F 7a_100000211962_100009874392 [0,1,0,0,1,0|2,0,0]=4 1304 B16R2.12432 O=C1CC(C1)COCc2ccccc2I 34a_100000101936_100011215278 [0,1,0,0,1,0|2,0,0]=4 1305 B16R2.12432 O=C1CC(C1)COCc2ccccc2I 7a_100000187465_100009874392 [0,1,0,0,1,0|2,0,0]=4 1306 B16R2.25773 C=C1CC(C1)COCc2cccc(c2)Br 34a_100011011225_100000698116 [0,1,0,0,1,0|2,0,0]=4 1307 B16R2.25773 C=C1CC(C1)COCc2cccc(c2)C 34a_100011011225_100000211840 [0,1,0,0,1,0|2,0,0]=4 1308 B16R2.25773 C=C1CC(C1)COCc2cccc(c2)Cl 34a_100011011225_100000187163 [0,1,0,0,1,0|2,0,0]=4 1309 B16R2.25773 C=C1CC(C1)COCc2cccc(c2)F 34a_100011011225_100000187166 [0,1,0,0,1,0|2,0,0]=4 1310 B16R2.25773 C=C1CC(C1)COCc2cccc(c2)I 34a_100011011225_100011218688 [0,1,0,0,1,0|2,0,0]=4 1311 B16R2.25773 C=C1CC(C1)COCc2cccc(c2)O 34a_100011011225_100011660834 [0,1,0,0,1,0|2,0,0]=4 1312 B16R2.25773 Cc1cccc(c1)COCC2CC(=O)C2 34a_100000101936_100000211840 [0,1,0,0,1,0|2,0,0]=4 1313 B16R2.25773 Cc1cccc(c1)COCC2CC(=O)C2 7a_100011217746_100009874392 [0,1,0,0,1,0|2,0,0]=4 1314 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)Br 34a_100000101936_100000698116 [0,1,0,0,1,0|2,0,0]=4 1315 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)Br 7a_100000687537_100009874392 [0,1,0,0,1,0|2,0,0]=4 1316 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)Cl 34a_100000101936_100000187163 [0,1,0,0,1,0|2,0,0]=4 1317 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)Cl 7a_100000241301_100009874392 [0,1,0,0,1,0|2,0,0]=4 1318 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)F 34a_100000101936_100000187166 [0,1,0,0,1,0|2,0,0]=4 1319 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)F 7a_100000210976_100009874392 [0,1,0,0,1,0|2,0,0]=4 1320 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)I 34a_100000101936_100011218688 [0,1,0,0,1,0|2,0,0]=4 1321 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)I 7a_100011215336_100009874392 [0,1,0,0,1,0|2,0,0]=4 1322 B16R2.25773 O=C1CC(C1)COCc2cccc(c2)O 34a_100000101936_100011660834 [0,1,0,0,1,0|2,0,0]=4 1323 B18R2.3700 CC(Cc1ccccc1)OCC2COC(=O)O2 34a_100000748627_100000073702 [0,1,0,0,0,1|2,0,0]=4 1324 B18R2.3700 CC(Cc1ccccc1)OC[C@H]2COC(=O)N2 34a_100000748627_100015307671 [0,1,0,0,0,1|1,0,1]=4 1325 B18R2.3700 CC(Cc1ccccc1)OC[C@H]2COC(=O)N2 7a_100000748627_100015307671 [0,1,0,0,0,1|1,0,1]=4 1326 B18R2.3709 CC(COCC1COC(=O)O1)c2ccccc2 34a_100011215166_100000073702 [0,1,0,0,0,1|2,0,0]=4 1327 B18R2.3709 CC(COC[C@H]1COC(=O)N1)c2ccccc2 34a_100011215166_100015307671 [0,1,0,0,0,1|1,0,1]=4 1328 B18R2.3709 CC(COC[C@H]1COC(=O)N1)c2ccccc2 7a_100011215166_100015307671 [0,1,0,0,0,1|1,0,1]=4 1329 B18R2.3709 N[C@H](COCC1COC(=O)O1)c2ccccc2 34a_100000751927_100000073702 [0,1,0,0,0,1|2,0,0]=4 1330 B18R2.3709 N[C@H](COC[C@H]1COC(=O)N1)c2ccccc2 34a_100000751927_100015307671 [0,1,0,0,0,1|1,0,1]=4 1331 B18R2.3732 NC1=NC(CS1)C(=O)CCCc2ccccc2 1458a_100000002200_100000211621 [0,1,0,0,0,1|1,1,0]=4 1332 B18R2.3732 NC1=NC(CS1)C(=O)CSCc2ccccc2 1458a_100000002200_200011217039 [0,1,0,0,0,1|0,2,0]=4 1333 B18R2.3895 Cc1cccc(c1)CCOCC2COC(=O)O2 34a_100011217157_100000073702 [0,1,0,0,0,1|2,0,0]=4 1334 B18R2.3895 Cc1cccc(c1)CCOC[C@H]2COC(=O)N2 34a_100011217157_100015307671 [0,1,0,0,0,1|1,0,1]=4 1335 B18R2.3895 Cc1cccc(c1)CCOC[C@H]2COC(=O)N2 7a_100011217157_100015307671 [0,1,0,0,0,1|1,0,1]=4 1336 B18R2.3895 Nc1cccc(c1)CCOCC2COC(=O)O2 34a_100011996697_100000073702 [0,1,0,0,0,1|2,0,0]=4 1337 B18R2.3895 Nc1cccc(c1)CCOC[C@H]2COC(=O)N2 34a_100011996697_100015307671 [0,1,0,0,0,1|1,0,1]=4 1338 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Br 34a_100011217444_100015307671 [0,1,0,0,0,1|1,0,1]=4 1339 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Br 7a_100011217444_100015307671 [0,1,0,0,0,1|1,0,1]=4 1340 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Cl 34a_100000754733_100015307671 [0,1,0,0,0,1|1,0,1]=4 1341 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Cl 7a_100000754733_100015307671 [0,1,0,0,0,1|1,0,1]=4 1342 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)F 34a_100000763591_100015307671 [0,1,0,0,0,1|1,0,1]=4 1343 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)F 7a_100000763591_100015307671 [0,1,0,0,0,1|1,0,1]=4 1344 B18R2.3895 O=C1OCC(O1)COCCc2cccc(c2)Br 34a_100011217444_100000073702 [0,1,0,0,0,1|2,0,0]=4 1345 B18R2.3895 O=C1OCC(O1)COCCc2cccc(c2)Cl 34a_100000754733_100000073702 [0,1,0,0,0,1|2,0,0]=4 1346 B18R2.3895 O=C1OCC(O1)COCCc2cccc(c2)F 34a_100000763591_100000073702 [0,1,0,0,0,1|2,0,0]=4 1347 B18R2.8986 Cc1ccc(cc1)CCOCC2COC(=O)O2 34a_100000756670_100000073702 [0,1,0,0,0,1|2,0,0]=4 1348 B18R2.8986 Cc1ccc(cc1)CCOC[C@H]2COC(=O)N2 34a_100000756670_100015307671 [0,1,0,0,0,1|1,0,1]=4 1349 B18R2.8986 Cc1ccc(cc1)CCOC[C@H]2COC(=O)N2 7a_100000756670_100015307671 [0,1,0,0,0,1|1,0,1]=4 1350 B18R2.8986 Nc1ccc(cc1)CCOCC2COC(=O)O2 34a_100011204434_100000073702 [0,1,0,0,0,1|2,0,0]=4 1351 B18R2.8986 Nc1ccc(cc1)CCOC[C@H]2COC(=O)N2 34a_100011204434_100015307671 [0,1,0,0,0,1|1,0,1]=4 1352 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Br 34a_100000766406_100015307671 [0,1,0,0,0,1|1,0,1]=4 1353 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Br 7a_100000766406_100015307671 [0,1,0,0,0,1|1,0,1]=4 1354 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Cl 34a_100011219627_100015307671 [0,1,0,0,0,1|1,0,1]=4 1355 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Cl 7a_100011219627_100015307671 [0,1,0,0,0,1|1,0,1]=4 1356 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)F 34a_100000754732_100015307671 [0,1,0,0,0,1|1,0,1]=4 1357 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)F 7a_100000754732_100015307671 [0,1,0,0,0,1|1,0,1]=4 1358 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)I 34a_100012291149_100015307671 [0,1,0,0,0,1|1,0,1]=4 1359 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)I 7a_100012291149_100015307671 [0,1,0,0,0,1|1,0,1]=4 1360 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)Br 34a_100000766406_100000073702 [0,1,0,0,0,1|2,0,0]=4 1361 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)Cl 34a_100011219627_100000073702 [0,1,0,0,0,1|2,0,0]=4 1362 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)F 34a_100000754732_100000073702 [0,1,0,0,0,1|2,0,0]=4 1363 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)I 34a_100012291149_100000073702 [0,1,0,0,0,1|2,0,0]=4 1364 B18R2.29582 Cc1ccccc1CCOCC2COC(=O)O2 34a_100011220023_100000073702 [0,1,0,0,0,1|2,0,0]=4 1365 B18R2.29582 Cc1ccccc1CCOC[C@H]2COC(=O)N2 34a_100011220023_100015307671 [0,1,0,0,0,1|1,0,1]=4 1366 B18R2.29582 Cc1ccccc1CCOC[C@H]2COC(=O)N2 7a_100011220023_100015307671 [0,1,0,0,0,1|1,0,1]=4 1367 B18R2.29582 Nc1ccccc1CCOCC2COC(=O)O2 34a_100011215289_100000073702 [0,1,0,0,0,1|2,0,0]=4 1368 B18R2.29582 Nc1ccccc1CCOC[C@H]2COC(=O)N2 34a_100011215289_100015307671 [0,1,0,0,0,1|1,0,1]=4 1369 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Br 34a_100000731337_100015307671 [0,1,0,0,0,1|1,0,1]=4 1370 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Br 7a_100000731337_100015307671 [0,1,0,0,0,1|1,0,1]=4 1371 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Cl 34a_100011215284_100015307671 [0,1,0,0,0,1|1,0,1]=4 1372 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Cl 7a_100011215284_100015307671 [0,1,0,0,0,1|1,0,1]=4 1373 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2F 34a_100000753711_100015307671 [0,1,0,0,0,1|1,0,1]=4 1374 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2F 7a_100000753711_100015307671 [0,1,0,0,0,1|1,0,1]=4 1375 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2I 34a_100010255290_100015307671 [0,1,0,0,0,1|1,0,1]=4 1376 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2I 7a_100010255290_100015307671 [0,1,0,0,0,1|1,0,1]=4 1377 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2Br 34a_100000731337_100000073702 [0,1,0,0,0,1|2,0,0]=4 1378 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2Cl 34a_100011215284_100000073702 [0,1,0,0,0,1|2,0,0]=4 1379 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2F 34a_100000753711_100000073702 [0,1,0,0,0,1|2,0,0]=4 1380 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2I 34a_100010255290_100000073702 [0,1,0,0,0,1|2,0,0]=4 1381 B18R2.6467 CC(OCC1COCC(=O)N1)c2ccccc2 34a_200000101122_100000211855 [0,1,0,0,0,1|1,0,1]=4 1382 B18R2.6482 Cc1cccc(c1)COCC2COCC(=O)N2 34a_200000101122_100000211840 [0,1,0,0,0,1|1,0,1]=4 1383 B18R2.6482 O=C1COCC(N1)COCc2cccc(c2)Br 34a_200000101122_100000698116 [0,1,0,0,0,1|1,0,1]=4 1384 B18R2.6482 O=C1COCC(N1)COCc2cccc(c2)Cl 34a_200000101122_100000187163 [0,1,0,0,0,1|1,0,1]=4 1385 B18R2.6482 O=C1COCC(N1)COCc2cccc(c2)F 34a_200000101122_100000187166 [0,1,0,0,0,1|1,0,1]=4 1386 B18R2.6482 O=C1COCC(N1)COCc2cccc(c2)I 34a_200000101122_100011218688 [0,1,0,0,0,1|1,0,1]=4 1387 B18R2.6482 O=C1COCC(N1)COCc2cccc(c2)O 34a_200000101122_100011660834 [0,1,0,0,0,1|1,0,1]=4 1388 B18R2.65882 Cc1ccccc1COCC2COCC(=O)N2 34a_200000101122_100000211839 [0,1,0,0,0,1|1,0,1]=4 1389 B18R2.65882 O=C1COCC(N1)COCc2ccccc2Br 34a_200000101122_100000184730 [0,1,0,0,0,1|1,0,1]=4 1390 B18R2.65882 O=C1COCC(N1)COCc2ccccc2Cl 34a_200000101122_100000187162 [0,1,0,0,0,1|1,0,1]=4 1391 B18R2.65882 O=C1COCC(N1)COCc2ccccc2F 34a_200000101122_100000211605 [0,1,0,0,0,1|1,0,1]=4 1392 B18R2.65882 O=C1COCC(N1)COCc2ccccc2I 34a_200000101122_100011215278 [0,1,0,0,0,1|1,0,1]=4 1393 B18R2.59 C#Cc1ccc(cc1)COCC2COC(=O)O2 34a_100000054647_100000073702 [0,2,0,0,0,0|2,0,0]=4 1394 B18R2.59 C#Cc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100000054647_100015307671 [0,2,0,0,0,0|1,0,1]=4 1395 B18R2.59 C#Cc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100000054647_100015307671 [0,2,0,0,0,0|1,0,1]=4 1396 B18R2.59 C=Cc1ccc(cc1)COCC2COC(=O)O2 34a_100000073583_100000073702 [0,2,0,0,0,0|2,0,0]=4 1397 B18R2.59 C=Cc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100000073583_100015307671 [0,2,0,0,0,0|1,0,1]=4 1398 B18R2.59 C=Cc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100000073583_100015307671 [0,2,0,0,0,0|1,0,1]=4 1399 B18R2.59 CCc1ccc(cc1)COCC2COC(=O)O2 34a_100000702245_100000073702 [0,2,0,0,0,0|2,0,0]=4 1400 B18R2.59 CCc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100000702245_100015307671 [0,2,0,0,0,0|1,0,1]=4 1401 B18R2.59 CCc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100000702245_100015307671 [0,2,0,0,0,0|1,0,1]=4 1402 B18R2.59 COc1ccc(cc1)COCC2COC(=O)O2 34a_100000173359_100000073702 [0,2,0,0,0,0|2,0,0]=4 1403 B18R2.59 COc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100000173359_100015307671 [0,2,0,0,0,0|1,0,1]=4 1404 B18R2.59 CSc1ccc(cc1)COCC2COC(=O)O2 34a_100011215404_100000073702 [0,2,0,0,0,0|2,0,0]=4 1405 B18R2.59 CSc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215404_100015307671 [0,2,0,0,0,0|1,0,1]=4 1406 B18R2.59 CSc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100011215404_100015307671 [0,2,0,0,0,0|1,0,1]=4 1407 B18R2.59 N#Cc1ccc(cc1)COCC2COC(=O)O2 34a_100000238739_100000073702 [0,2,0,0,0,0|2,0,0]=4 1408 B18R2.59 N#Cc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100000238739_100015307671 [0,2,0,0,0,0|1,0,1]=4 1409 B18R2.59 N#Cc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100000238739_100015307671 [0,2,0,0,0,0|1,0,1]=4 1410 B18R2.59 NCc1ccc(cc1)COCC2COC(=O)O2 34a_100015189231_100000073702 [0,2,0,0,0,0|2,0,0]=4 1411 B18R2.59 NCc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100015189231_100015307671 [0,2,0,0,0,0|1,0,1]=4 1412 B18R2.59 O=C1N[C@H](CO1)COCc2ccc(cc2)CBr 34a_100012353999_100015307671 [0,2,0,0,0,0|1,0,1]=4 1413 B18R2.59 O=C1N[C@H](CO1)COCc2ccc(cc2)CBr 7a_100012353999_100015307671 [0,2,0,0,0,0|1,0,1]=4 1414 B18R2.59 O=C1N[C@H](CO1)COCc2ccc(cc2)CCl 34a_100000067286_100015307671 [0,2,0,0,0,0|1,0,1]=4 1415 B18R2.59 O=C1N[C@H](CO1)COCc2ccc(cc2)CCl 7a_100000067286_100015307671 [0,2,0,0,0,0|1,0,1]=4 1416 B18R2.59 O=C1OCC(O1)COCc2ccc(cc2)CBr 34a_100012353999_100000073702 [0,2,0,0,0,0|2,0,0]=4 1417 B18R2.59 O=C1OCC(O1)COCc2ccc(cc2)CCl 34a_100000067286_100000073702 [0,2,0,0,0,0|2,0,0]=4 1418 B18R2.3763 CC(OCC1COC(=O)O1)c2ccc(cc2)Br 34a_100000745893_100000073702 [0,2,0,0,0,0|2,0,0]=4 1419 B18R2.3763 CC(OCC1COC(=O)O1)c2ccc(cc2)F 34a_100000181323_100000073702 [0,2,0,0,0,0|2,0,0]=4 1420 B18R2.3763 CC(OCC1COC(=O)O1)c2ccc(cc2)N 34a_100011216399_100000073702 [0,2,0,0,0,0|2,0,0]=4 1421 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Br 34a_100000745893_100015307671 [0,2,0,0,0,0|1,0,1]=4 1422 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Br 7a_100000745893_100015307671 [0,2,0,0,0,0|1,0,1]=4 1423 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100000181323_100015307671 [0,2,0,0,0,0|1,0,1]=4 1424 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 7a_100000181323_100015307671 [0,2,0,0,0,0|1,0,1]=4 1425 B18R2.3763 CC(OC[C@H]1COC(=O)N1)c2ccc(cc2)N 34a_100011216399_100015307671 [0,2,0,0,0,0|1,0,1]=4 1426 B18R2.3763 C[C@H](OCC1COC(=O)O1)c2ccc(cc2)Cl 34a_100011852131_100000073702 [0,2,0,0,0,0|2,0,0]=4 1427 B18R2.3763 C[C@H](OC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100011852131_100015307671 [0,2,0,0,0,0|1,0,1]=4 1428 B18R2.3763 C[C@H](OC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 7a_100011852131_100015307671 [0,2,0,0,0,0|1,0,1]=4 1429 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OCC2COC(=O)O2 34a_100000690690_100000073702 [0,2,0,0,0,0|2,0,0]=4 1430 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OC[C@H]2COC(=O)N2 34a_100000690690_100015307671 [0,2,0,0,0,0|1,0,1]=4 1431 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OC[C@H]2COC(=O)N2 7a_100000690690_100015307671 [0,2,0,0,0,0|1,0,1]=4 1432 B18R2.3763 [2H]C(OCC1COC(=O)O1)c2ccc(cc2)F 34a_217856618577_100000073702 [0,2,0,0,0,0|2,0,0]=4 1433 B18R2.3763 [2H]C(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_217856618577_100015307671 [0,2,0,0,0,0|1,0,1]=4 1434 B18R2.3763 [2H]C(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 7a_217856618577_100015307671 [0,2,0,0,0,0|1,0,1]=4 1435 B18R2.4056 Cc1cc(ccc1COCC2COC(=O)O2)Br 34a_100000748258_100000073702 [0,2,0,0,0,0|2,0,0]=4 1436 B18R2.4056 Cc1cc(ccc1COCC2COC(=O)O2)Cl 34a_100000702939_100000073702 [0,2,0,0,0,0|2,0,0]=4 1437 B18R2.4056 Cc1cc(ccc1COCC2COC(=O)O2)F 34a_100000700136_100000073702 [0,2,0,0,0,0|2,0,0]=4 1438 B18R2.4056 Cc1cc(ccc1COCC2COC(=O)O2)N 34a_100000102464_100000073702 [0,2,0,0,0,0|2,0,0]=4 1439 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)Br 34a_100000748258_100015307671 [0,2,0,0,0,0|1,0,1]=4 1440 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)Br 7a_100000748258_100015307671 [0,2,0,0,0,0|1,0,1]=4 1441 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)Cl 34a_100000702939_100015307671 [0,2,0,0,0,0|1,0,1]=4 1442 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)Cl 7a_100000702939_100015307671 [0,2,0,0,0,0|1,0,1]=4 1443 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)F 34a_100000700136_100015307671 [0,2,0,0,0,0|1,0,1]=4 1444 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)F 7a_100000700136_100015307671 [0,2,0,0,0,0|1,0,1]=4 1445 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)N 34a_100000102464_100015307671 [0,2,0,0,0,0|1,0,1]=4 1446 B18R2.4056 Cc1cc(ccc1COC[C@H]2COC(=O)N2)N 7a_100000102464_100015307671 [0,2,0,0,0,0|1,0,1]=4 1447 B18R2.4056 Cc1ccc(c(c1)C)COCC2COC(=O)O2 34a_100011215341_100000073702 [0,2,0,0,0,0|2,0,0]=4 1448 B18R2.4056 Cc1ccc(c(c1)C)COC[C@H]2COC(=O)N2 34a_100011215341_100015307671 [0,2,0,0,0,0|1,0,1]=4 1449 B18R2.4056 Cc1ccc(c(c1)C)COC[C@H]2COC(=O)N2 7a_100011215341_100015307671 [0,2,0,0,0,0|1,0,1]=4 1450 B18R2.4056 Cc1ccc(c(c1)Cl)COCC2COC(=O)O2 34a_100000720314_100000073702 [0,2,0,0,0,0|2,0,0]=4 1451 B18R2.4056 Cc1ccc(c(c1)Cl)COC[C@H]2COC(=O)N2 34a_100000720314_100015307671 [0,2,0,0,0,0|1,0,1]=4 1452 B18R2.4056 Cc1ccc(c(c1)Cl)COC[C@H]2COC(=O)N2 7a_100000720314_100015307671 [0,2,0,0,0,0|1,0,1]=4 1453 B18R2.4056 Cc1ccc(c(c1)F)COCC2COC(=O)O2 34a_100011216587_100000073702 [0,2,0,0,0,0|2,0,0]=4 1454 B18R2.4056 Cc1ccc(c(c1)F)COC[C@H]2COC(=O)N2 34a_100011216587_100015307671 [0,2,0,0,0,0|1,0,1]=4 1455 B18R2.4056 Cc1ccc(c(c1)F)COC[C@H]2COC(=O)N2 7a_100011216587_100015307671 [0,2,0,0,0,0|1,0,1]=4 1456 B18R2.4056 Cc1ccc(c(c1)N)COCC2COC(=O)O2 34a_100000087799_100000073702 [0,2,0,0,0,0|2,0,0]=4 1457 B18R2.4056 Cc1ccc(c(c1)N)COC[C@H]2COC(=O)N2 34a_100000087799_100015307671 [0,2,0,0,0,0|1,0,1]=4 1458 B18R2.4056 Cc1ccc(c(c1)N)COC[C@H]2COC(=O)N2 7a_100000087799_100015307671 [0,2,0,0,0,0|1,0,1]=4 1459 B18R2.4056 Nc1cc(ccc1COCC2COC(=O)O2)Br 34a_100000718831_100000073702 [0,2,0,0,0,0|2,0,0]=4 1460 B18R2.4056 Nc1cc(ccc1COCC2COC(=O)O2)Cl 34a_100000238622_100000073702 [0,2,0,0,0,0|2,0,0]=4 1461 B18R2.4056 Nc1cc(ccc1COCC2COC(=O)O2)F 34a_100011996588_100000073702 [0,2,0,0,0,0|2,0,0]=4 1462 B18R2.4056 Nc1cc(ccc1COC[C@H]2COC(=O)N2)Br 34a_100000718831_100015307671 [0,2,0,0,0,0|1,0,1]=4 1463 B18R2.4056 Nc1cc(ccc1COC[C@H]2COC(=O)N2)Br 7a_100000718831_100015307671 [0,2,0,0,0,0|1,0,1]=4 1464 B18R2.4056 Nc1cc(ccc1COC[C@H]2COC(=O)N2)Cl 34a_100000238622_100015307671 [0,2,0,0,0,0|1,0,1]=4 1465 B18R2.4056 Nc1cc(ccc1COC[C@H]2COC(=O)N2)Cl 7a_100000238622_100015307671 [0,2,0,0,0,0|1,0,1]=4 1466 B18R2.4056 Nc1cc(ccc1COC[C@H]2COC(=O)N2)F 34a_100011996588_100015307671 [0,2,0,0,0,0|1,0,1]=4 1467 B18R2.4056 Nc1ccc(c(c1)Cl)COCC2COC(=O)O2 34a_100000689119_100000073702 [0,2,0,0,0,0|2,0,0]=4 1468 B18R2.4056 Nc1ccc(c(c1)Cl)COC[C@H]2COC(=O)N2 34a_100000689119_100015307671 [0,2,0,0,0,0|1,0,1]=4 1469 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)Br 34a_100012357508_100015307671 [0,2,0,0,0,0|1,0,1]=4 1470 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)Br 7a_100012357508_100015307671 [0,2,0,0,0,0|1,0,1]=4 1471 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)Cl 34a_100000707881_100015307671 [0,2,0,0,0,0|1,0,1]=4 1472 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)Cl 7a_100000707881_100015307671 [0,2,0,0,0,0|1,0,1]=4 1473 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)F 34a_100000744086_100015307671 [0,2,0,0,0,0|1,0,1]=4 1474 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)F 7a_100000744086_100015307671 [0,2,0,0,0,0|1,0,1]=4 1475 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Br)I 7a_100010240206_100015307671 [0,2,0,0,0,0|1,0,1]=4 1476 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Cl)Br 34a_100000756401_100015307671 [0,2,0,0,0,0|1,0,1]=4 1477 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Cl)Br 7a_100000756401_100015307671 [0,2,0,0,0,0|1,0,1]=4 1478 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Cl)Cl 34a_100000215721_100015307671 [0,2,0,0,0,0|1,0,1]=4 1479 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Cl)Cl 7a_100000215721_100015307671 [0,2,0,0,0,0|1,0,1]=4 1480 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Cl)F 34a_100011219954_100015307671 [0,2,0,0,0,0|1,0,1]=4 1481 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2Cl)F 7a_100011219954_100015307671 [0,2,0,0,0,0|1,0,1]=4 1482 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)Br 34a_100011191541_100015307671 [0,2,0,0,0,0|1,0,1]=4 1483 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)Br 7a_100011191541_100015307671 [0,2,0,0,0,0|1,0,1]=4 1484 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)Cl 34a_100011217562_100015307671 [0,2,0,0,0,0|1,0,1]=4 1485 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)Cl 7a_100011217562_100015307671 [0,2,0,0,0,0|1,0,1]=4 1486 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)F 34a_100011215441_100015307671 [0,2,0,0,0,0|1,0,1]=4 1487 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)F 7a_100011215441_100015307671 [0,2,0,0,0,0|1,0,1]=4 1488 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)I 34a_200010202041_100015307671 [0,2,0,0,0,0|1,0,1]=4 1489 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2F)I 7a_200010202041_100015307671 [0,2,0,0,0,0|1,0,1]=4 1490 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2I)Br 7a_100010146605_100015307671 [0,2,0,0,0,0|1,0,1]=4 1491 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2I)Cl 34a_100000722340_100015307671 [0,2,0,0,0,0|1,0,1]=4 1492 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2I)Cl 7a_100000722340_100015307671 [0,2,0,0,0,0|1,0,1]=4 1493 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2I)F 34a_100011356828_100015307671 [0,2,0,0,0,0|1,0,1]=4 1494 B18R2.4056 O=C1N[C@H](CO1)COCc2ccc(cc2I)F 7a_100011356828_100015307671 [0,2,0,0,0,0|1,0,1]=4 1495 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2Br)Br 34a_100012357508_100000073702 [0,2,0,0,0,0|2,0,0]=4 1496 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2Br)Cl 34a_100000707881_100000073702 [0,2,0,0,0,0|2,0,0]=4 1497 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2Br)F 34a_100000744086_100000073702 [0,2,0,0,0,0|2,0,0]=4 1498 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2Cl)Br 34a_100000756401_100000073702 [0,2,0,0,0,0|2,0,0]=4 1499 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2Cl)Cl 34a_100000215721_100000073702 [0,2,0,0,0,0|2,0,0]=4 1500 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2Cl)F 34a_100011219954_100000073702 [0,2,0,0,0,0|2,0,0]=4 1501 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2F)Br 34a_100011191541_100000073702 [0,2,0,0,0,0|2,0,0]=4 1502 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2F)Cl 34a_100011217562_100000073702 [0,2,0,0,0,0|2,0,0]=4 1503 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2F)F 34a_100011215441_100000073702 [0,2,0,0,0,0|2,0,0]=4 1504 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2F)I 34a_200010202041_100000073702 [0,2,0,0,0,0|2,0,0]=4 1505 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2I)Cl 34a_100000722340_100000073702 [0,2,0,0,0,0|2,0,0]=4 1506 B18R2.4056 O=C1OCC(O1)COCc2ccc(cc2I)F 34a_100011356828_100000073702 [0,2,0,0,0,0|2,0,0]=4 1507 B18R2.29456 Cc1cc(ccc1Br)COCC2COC(=O)O2 34a_100000718852_100000073702 [0,2,0,0,0,0|2,0,0]=4 1508 B18R2.29456 Cc1cc(ccc1Br)COC[C@H]2COC(=O)N2 34a_100000718852_100015307671 [0,2,0,0,0,0|1,0,1]=4 1509 B18R2.29456 Cc1cc(ccc1Br)COC[C@H]2COC(=O)N2 7a_100000718852_100015307671 [0,2,0,0,0,0|1,0,1]=4 1510 B18R2.29456 Cc1cc(ccc1F)COCC2COC(=O)O2 34a_100011219793_100000073702 [0,2,0,0,0,0|2,0,0]=4 1511 B18R2.29456 Cc1cc(ccc1F)COC[C@H]2COC(=O)N2 34a_100011219793_100015307671 [0,2,0,0,0,0|1,0,1]=4 1512 B18R2.29456 Cc1cc(ccc1F)COC[C@H]2COC(=O)N2 7a_100011219793_100015307671 [0,2,0,0,0,0|1,0,1]=4 1513 B18R2.29456 Cc1cc(ccc1N)COCC2COC(=O)O2 34a_200011997030_100000073702 [0,2,0,0,0,0|2,0,0]=4 1514 B18R2.29456 Cc1cc(ccc1N)COC[C@H]2COC(=O)N2 34a_200011997030_100015307671 [0,2,0,0,0,0|1,0,1]=4 1515 B18R2.29456 Cc1ccc(cc1Br)COCC2COC(=O)O2 34a_100000708995_100000073702 [0,2,0,0,0,0|2,0,0]=4 1516 B18R2.29456 Cc1ccc(cc1Br)COC[C@H]2COC(=O)N2 34a_100000708995_100015307671 [0,2,0,0,0,0|1,0,1]=4 1517 B18R2.29456 Cc1ccc(cc1Br)COC[C@H]2COC(=O)N2 7a_100000708995_100015307671 [0,2,0,0,0,0|1,0,1]=4 1518 B18R2.29456 Cc1ccc(cc1C)COCC2COC(=O)O2 34a_100011215342_100000073702 [0,2,0,0,0,0|2,0,0]=4 1519 B18R2.29456 Cc1ccc(cc1C)COC[C@H]2COC(=O)N2 34a_100011215342_100015307671 [0,2,0,0,0,0|1,0,1]=4 1520 B18R2.29456 Cc1ccc(cc1C)COC[C@H]2COC(=O)N2 7a_100011215342_100015307671 [0,2,0,0,0,0|1,0,1]=4 1521 B18R2.29456 Cc1ccc(cc1Cl)COCC2COC(=O)O2 34a_100011290783_100000073702 [0,2,0,0,0,0|2,0,0]=4 1522 B18R2.29456 Cc1ccc(cc1Cl)COC[C@H]2COC(=O)N2 34a_100011290783_100015307671 [0,2,0,0,0,0|1,0,1]=4 1523 B18R2.29456 Cc1ccc(cc1Cl)COC[C@H]2COC(=O)N2 7a_100011290783_100015307671 [0,2,0,0,0,0|1,0,1]=4 1524 B18R2.29456 Cc1ccc(cc1F)COCC2COC(=O)O2 34a_100000702247_100000073702 [0,2,0,0,0,0|2,0,0]=4 1525 B18R2.29456 Cc1ccc(cc1F)COC[C@H]2COC(=O)N2 34a_100000702247_100015307671 [0,2,0,0,0,0|1,0,1]=4 1526 B18R2.29456 Cc1ccc(cc1F)COC[C@H]2COC(=O)N2 7a_100000702247_100015307671 [0,2,0,0,0,0|1,0,1]=4 1527 B18R2.29456 Cc1ccc(cc1I)COCC2COC(=O)O2 34a_100000050133_100000073702 [0,2,0,0,0,0|2,0,0]=4 1528 B18R2.29456 Cc1ccc(cc1I)COC[C@H]2COC(=O)N2 34a_100000050133_100015307671 [0,2,0,0,0,0|1,0,1]=4 1529 B18R2.29456 Cc1ccc(cc1I)COC[C@H]2COC(=O)N2 7a_100000050133_100015307671 [0,2,0,0,0,0|1,0,1]=4 1530 B18R2.29456 Cc1ccc(cc1N)COCC2COC(=O)O2 34a_100000758420_100000073702 [0,2,0,0,0,0|2,0,0]=4 1531 B18R2.29456 Cc1ccc(cc1N)COC[C@H]2COC(=O)N2 34a_100000758420_100015307671 [0,2,0,0,0,0|1,0,1]=4 1532 B18R2.29456 Nc1cc(ccc1Br)COCC2COC(=O)O2 34a_100012347568_100000073702 [0,2,0,0,0,0|2,0,0]=4 1533 B18R2.29456 Nc1cc(ccc1Br)COC[C@H]2COC(=O)N2 34a_100012347568_100015307671 [0,2,0,0,0,0|1,0,1]=4 1534 B18R2.29456 Nc1cc(ccc1Cl)COCC2COC(=O)O2 34a_106256033963_100000073702 [0,2,0,0,0,0|2,0,0]=4 1535 B18R2.29456 Nc1cc(ccc1Cl)COC[C@H]2COC(=O)N2 34a_106256033963_100015307671 [0,2,0,0,0,0|1,0,1]=4 1536 B18R2.29456 Nc1cc(ccc1F)COCC2COC(=O)O2 34a_102125399562_100000073702 [0,2,0,0,0,0|2,0,0]=4 1537 B18R2.29456 Nc1cc(ccc1F)COC[C@H]2COC(=O)N2 34a_102125399562_100015307671 [0,2,0,0,0,0|1,0,1]=4 1538 B18R2.29456 Nc1ccc(cc1F)COCC2COC(=O)O2 34a_100011217239_100000073702 [0,2,0,0,0,0|2,0,0]=4 1539 B18R2.29456 Nc1ccc(cc1F)COC[C@H]2COC(=O)N2 34a_100011217239_100015307671 [0,2,0,0,0,0|1,0,1]=4 1540 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Br)Cl 34a_100012353893_100015307671 [0,2,0,0,0,0|1,0,1]=4 1541 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Br)Cl 7a_100012353893_100015307671 [0,2,0,0,0,0|1,0,1]=4 1542 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Br)F 34a_100000246287_100015307671 [0,2,0,0,0,0|1,0,1]=4 1543 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Br)F 7a_100000246287_100015307671 [0,2,0,0,0,0|1,0,1]=4 1544 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)Br 34a_100000709168_100015307671 [0,2,0,0,0,0|1,0,1]=4 1545 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)Br 7a_100000709168_100015307671 [0,2,0,0,0,0|1,0,1]=4 1546 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)Cl 34a_100000211588_100015307671 [0,2,0,0,0,0|1,0,1]=4 1547 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)Cl 7a_100000211588_100015307671 [0,2,0,0,0,0|1,0,1]=4 1548 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)F 34a_100011217911_100015307671 [0,2,0,0,0,0|1,0,1]=4 1549 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)F 7a_100011217911_100015307671 [0,2,0,0,0,0|1,0,1]=4 1550 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)I 34a_100000718186_100015307671 [0,2,0,0,0,0|1,0,1]=4 1551 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)Cl)I 7a_100000718186_100015307671 [0,2,0,0,0,0|1,0,1]=4 1552 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)Br 34a_100011533735_100015307671 [0,2,0,0,0,0|1,0,1]=4 1553 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)Br 7a_100011533735_100015307671 [0,2,0,0,0,0|1,0,1]=4 1554 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)Cl 34a_100011218299_100015307671 [0,2,0,0,0,0|1,0,1]=4 1555 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)Cl 7a_100011218299_100015307671 [0,2,0,0,0,0|1,0,1]=4 1556 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)F 34a_100011215442_100015307671 [0,2,0,0,0,0|1,0,1]=4 1557 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)F 7a_100011215442_100015307671 [0,2,0,0,0,0|1,0,1]=4 1558 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)I 34a_100010149597_100015307671 [0,2,0,0,0,0|1,0,1]=4 1559 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)F)I 7a_100010149597_100015307671 [0,2,0,0,0,0|1,0,1]=4 1560 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)I)F 34a_100000049585_100015307671 [0,2,0,0,0,0|1,0,1]=4 1561 B18R2.29456 O=C1N[C@H](CO1)COCc2ccc(c(c2)I)F 7a_100000049585_100015307671 [0,2,0,0,0,0|1,0,1]=4 1562 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)Br)Cl 34a_100012353893_100000073702 [0,2,0,0,0,0|2,0,0]=4 1563 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)Br)F 34a_100000246287_100000073702 [0,2,0,0,0,0|2,0,0]=4 1564 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)Cl)Br 34a_100000709168_100000073702 [0,2,0,0,0,0|2,0,0]=4 1565 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)Cl)Cl 34a_100000211588_100000073702 [0,2,0,0,0,0|2,0,0]=4 1566 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)Cl)F 34a_100011217911_100000073702 [0,2,0,0,0,0|2,0,0]=4 1567 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)Cl)I 34a_100000718186_100000073702 [0,2,0,0,0,0|2,0,0]=4 1568 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)F)Br 34a_100011533735_100000073702 [0,2,0,0,0,0|2,0,0]=4 1569 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)F)Cl 34a_100011218299_100000073702 [0,2,0,0,0,0|2,0,0]=4 1570 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)F)F 34a_100011215442_100000073702 [0,2,0,0,0,0|2,0,0]=4 1571 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)F)I 34a_100010149597_100000073702 [0,2,0,0,0,0|2,0,0]=4 1572 B18R2.29456 O=C1OCC(O1)COCc2ccc(c(c2)I)F 34a_100000049585_100000073702 [0,2,0,0,0,0|2,0,0]=4 1573 B18R2.7060 NC(=O)c1nc(no1)COCc2ccccc2 270196a_100000747618_100011215815 [0,2,0,0,0,0|1,0,1]=4 1574 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)Br 34a_100000246457_100000073702 [0,2,0,0,0,0|2,0,0]=4 1575 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)F 34a_100000744526_100000073702 [0,2,0,0,0,0|2,0,0]=4 1576 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)I 34a_100013085317_100000073702 [0,2,0,0,0,0|2,0,0]=4 1577 B18R2.3918 CC(OCC1COC(=O)O1)c2cccc(c2)N 34a_100011217120_100000073702 [0,2,0,0,0,0|2,0,0]=4 1578 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)Br 34a_100000246457_100015307671 [0,2,0,0,0,0|1,0,1]=4 1579 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)Br 7a_100000246457_100015307671 [0,2,0,0,0,0|1,0,1]=4 1580 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)F 34a_100000744526_100015307671 [0,2,0,0,0,0|1,0,1]=4 1581 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)F 7a_100000744526_100015307671 [0,2,0,0,0,0|1,0,1]=4 1582 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)I 34a_100013085317_100015307671 [0,2,0,0,0,0|1,0,1]=4 1583 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)I 7a_100013085317_100015307671 [0,2,0,0,0,0|1,0,1]=4 1584 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)N 34a_100011217120_100015307671 [0,2,0,0,0,0|1,0,1]=4 1585 B18R2.3918 CC(OC[C@H]1COC(=O)N1)c2cccc(c2)N 7a_100011217120_100015307671 [0,2,0,0,0,0|1,0,1]=4 1586 B18R2.3918 C[C@@H](OCC1COC(=O)O1)c2cccc(c2)Cl 34a_100000747380_100000073702 [0,2,0,0,0,0|2,0,0]=4 1587 B18R2.3918 C[C@@H](OC[C@H]1COC(=O)N1)c2cccc(c2)Cl 34a_100000747380_100015307671 [0,2,0,0,0,0|1,0,1]=4 1588 B18R2.3918 C[C@@H](OC[C@H]1COC(=O)N1)c2cccc(c2)Cl 7a_100000747380_100015307671 [0,2,0,0,0,0|1,0,1]=4 1589 B18R2.3918 Cc1cccc(c1)C(C)OCC2COC(=O)O2 34a_100000757818_100000073702 [0,2,0,0,0,0|2,0,0]=4 1590 B18R2.3918 Cc1cccc(c1)C(C)OC[C@H]2COC(=O)N2 34a_100000757818_100015307671 [0,2,0,0,0,0|1,0,1]=4 1591 B18R2.3918 Cc1cccc(c1)C(C)OC[C@H]2COC(=O)N2 7a_100000757818_100015307671 [0,2,0,0,0,0|1,0,1]=4 1592 B18R2.28251 C#CC(OCC1COC(=O)O1)c2ccccc2 34a_100011219616_100000073702 [0,2,0,0,0,0|2,0,0]=4 1593 B18R2.28251 C#CC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100011219616_100015307671 [0,2,0,0,0,0|1,0,1]=4 1594 B18R2.28251 C#CC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100011219616_100015307671 [0,2,0,0,0,0|1,0,1]=4 1595 B18R2.28251 C=CC(OCC1COC(=O)O1)c2ccccc2 34a_100011215659_100000073702 [0,2,0,0,0,0|2,0,0]=4 1596 B18R2.28251 C=CC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100011215659_100015307671 [0,2,0,0,0,0|1,0,1]=4 1597 B18R2.28251 C=CC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100011215659_100015307671 [0,2,0,0,0,0|1,0,1]=4 1598 B18R2.28251 CCC(OCC1COC(=O)O1)c2ccccc2 34a_100000698172_100000073702 [0,2,0,0,0,0|2,0,0]=4 1599 B18R2.28251 CCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000698172_100015307671 [0,2,0,0,0,0|1,0,1]=4 1600 B18R2.28251 CCC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000698172_100015307671 [0,2,0,0,0,0|1,0,1]=4 1601 B18R2.28251 N#CC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100011217353_100015307671 [0,2,0,0,0,0|1,0,1]=4 1602 B18R2.28251 NCC(OCC1COC(=O)O1)c2ccccc2 34a_100000210709_100000073702 [0,2,0,0,0,0|2,0,0]=4 1603 B18R2.28251 NCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000210709_100015307671 [0,2,0,0,0,0|1,0,1]=4 1604 B18R2.28251 O=C1N[C@H](CO1)COC(CBr)c2ccccc2 7a_100000185958_100015307671 [0,2,0,0,0,0|1,0,1]=4 1605 B18R2.28251 O=C1N[C@H](CO1)CO[C@H](CCl)c2ccccc2 34a_100011933945_100015307671 [0,2,0,0,0,0|1,0,1]=4 1606 B18R2.28251 O=C1N[C@H](CO1)CO[C@H](CCl)c2ccccc2 7a_100011933945_100015307671 [0,2,0,0,0,0|1,0,1]=4 1607 B18R2.28251 O=C1OCC(O1)CO[C@H](CCl)c2ccccc2 34a_100011933945_100000073702 [0,2,0,0,0,0|2,0,0]=4 1608 B18R2.29399 CC(C)(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000694644_100015307671 [0,2,0,0,0,0|1,0,1]=4 1609 B18R2.29556 CC(OCC1COC(=O)O1)c2ccccc2Br 34a_100000702211_100000073702 [0,2,0,0,0,0|2,0,0]=4 1610 B18R2.29556 CC(OCC1COC(=O)O1)c2ccccc2Cl 34a_100000740796_100000073702 [0,2,0,0,0,0|2,0,0]=4 1611 B18R2.29556 CC(OCC1COC(=O)O1)c2ccccc2F 34a_100000697922_100000073702 [0,2,0,0,0,0|2,0,0]=4 1612 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Br 34a_100000702211_100015307671 [0,2,0,0,0,0|1,0,1]=4 1613 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Br 7a_100000702211_100015307671 [0,2,0,0,0,0|1,0,1]=4 1614 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Cl 34a_100000740796_100015307671 [0,2,0,0,0,0|1,0,1]=4 1615 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2Cl 7a_100000740796_100015307671 [0,2,0,0,0,0|1,0,1]=4 1616 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2F 34a_100000697922_100015307671 [0,2,0,0,0,0|1,0,1]=4 1617 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2F 7a_100000697922_100015307671 [0,2,0,0,0,0|1,0,1]=4 1618 B18R2.29556 CC(OC[C@H]1COC(=O)N1)c2ccccc2N 7a_100011405641_100015307671 [0,2,0,0,0,0|1,0,1]=4 1619 B18R2.29556 Cc1ccccc1C(C)OCC2COC(=O)O2 34a_100000742021_100000073702 [0,2,0,0,0,0|2,0,0]=4 1620 B18R2.29556 Cc1ccccc1C(C)OC[C@H]2COC(=O)N2 34a_100000742021_100015307671 [0,2,0,0,0,0|1,0,1]=4 1621 B18R2.29556 Cc1ccccc1C(C)OC[C@H]2COC(=O)N2 7a_100000742021_100015307671 [0,2,0,0,0,0|1,0,1]=4 1622 B18R2.1499 C#Cc1cccc(c1)COCC2COC(=O)O2 34a_100010272118_100000073702 [0,2,0,0,0,0|2,0,0]=4 1623 B18R2.1499 C#Cc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100010272118_100015307671 [0,2,0,0,0,0|1,0,1]=4 1624 B18R2.1499 C#Cc1cccc(c1)COC[C@H]2COC(=O)N2 7a_100010272118_100015307671 [0,2,0,0,0,0|1,0,1]=4 1625 B18R2.1499 COc1cccc(c1)COCC2COC(=O)O2 34a_100000198976_100000073702 [0,2,0,0,0,0|2,0,0]=4 1626 B18R2.1499 COc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100000198976_100015307671 [0,2,0,0,0,0|1,0,1]=4 1627 B18R2.1499 N#Cc1cccc(c1)COCC2COC(=O)O2 34a_100000753308_100000073702 [0,2,0,0,0,0|2,0,0]=4 1628 B18R2.1499 N#Cc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100000753308_100015307671 [0,2,0,0,0,0|1,0,1]=4 1629 B18R2.1499 N#Cc1cccc(c1)COC[C@H]2COC(=O)N2 7a_100000753308_100015307671 [0,2,0,0,0,0|1,0,1]=4 1630 B18R2.1499 NCc1cccc(c1)COCC2COC(=O)O2 34a_100011269909_100000073702 [0,2,0,0,0,0|2,0,0]=4 1631 B18R2.1499 NCc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100011269909_100015307671 [0,2,0,0,0,0|1,0,1]=4 1632 B18R2.1499 O=C1N[C@H](CO1)COCc2cccc(c2)CBr 34a_100010188025_100015307671 [0,2,0,0,0,0|1,0,1]=4 1633 B18R2.1499 O=C1N[C@H](CO1)COCc2cccc(c2)CBr 7a_100010188025_100015307671 [0,2,0,0,0,0|1,0,1]=4 1634 B18R2.1499 O=C1N[C@H](CO1)COCc2cccc(c2)CCl 34a_200000090956_100015307671 [0,2,0,0,0,0|1,0,1]=4 1635 B18R2.1499 O=C1N[C@H](CO1)COCc2cccc(c2)CCl 7a_200000090956_100015307671 [0,2,0,0,0,0|1,0,1]=4 1636 B18R2.1499 O=C1OCC(O1)COCc2cccc(c2)CBr 34a_100010188025_100000073702 [0,2,0,0,0,0|2,0,0]=4 1637 B18R2.1499 O=C1OCC(O1)COCc2cccc(c2)CCl 34a_200000090956_100000073702 [0,2,0,0,0,0|2,0,0]=4 1638 B18R2.29451 Cc1ccc(c(c1)COCC2COC(=O)O2)Br 34a_100012361352_100000073702 [0,2,0,0,0,0|2,0,0]=4 1639 B18R2.29451 Cc1ccc(c(c1)COCC2COC(=O)O2)C 34a_200011215349_100000073702 [0,2,0,0,0,0|2,0,0]=4 1640 B18R2.29451 Cc1ccc(c(c1)COCC2COC(=O)O2)Cl 34a_100009878994_100000073702 [0,2,0,0,0,0|2,0,0]=4 1641 B18R2.29451 Cc1ccc(c(c1)COCC2COC(=O)O2)F 34a_100011692775_100000073702 [0,2,0,0,0,0|2,0,0]=4 1642 B18R2.29451 Cc1ccc(c(c1)COCC2COC(=O)O2)N 34a_100011215565_100000073702 [0,2,0,0,0,0|2,0,0]=4 1643 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)Br 34a_100012361352_100015307671 [0,2,0,0,0,0|1,0,1]=4 1644 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)Br 7a_100012361352_100015307671 [0,2,0,0,0,0|1,0,1]=4 1645 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)C 34a_200011215349_100015307671 [0,2,0,0,0,0|1,0,1]=4 1646 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)C 7a_200011215349_100015307671 [0,2,0,0,0,0|1,0,1]=4 1647 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)Cl 34a_100009878994_100015307671 [0,2,0,0,0,0|1,0,1]=4 1648 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)Cl 7a_100009878994_100015307671 [0,2,0,0,0,0|1,0,1]=4 1649 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)F 34a_100011692775_100015307671 [0,2,0,0,0,0|1,0,1]=4 1650 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)F 7a_100011692775_100015307671 [0,2,0,0,0,0|1,0,1]=4 1651 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)N 34a_100011215565_100015307671 [0,2,0,0,0,0|1,0,1]=4 1652 B18R2.29451 Cc1ccc(c(c1)COC[C@H]2COC(=O)N2)N 7a_100011215565_100015307671 [0,2,0,0,0,0|1,0,1]=4 1653 B18R2.29451 Cc1ccc(cc1COCC2COC(=O)O2)Br 34a_100000700630_100000073702 [0,2,0,0,0,0|2,0,0]=4 1654 B18R2.29451 Cc1ccc(cc1COCC2COC(=O)O2)Cl 34a_100012002407_100000073702 [0,2,0,0,0,0|2,0,0]=4 1655 B18R2.29451 Cc1ccc(cc1COCC2COC(=O)O2)F 34a_100011219218_100000073702 [0,2,0,0,0,0|2,0,0]=4 1656 B18R2.29451 Cc1ccc(cc1COCC2COC(=O)O2)I 34a_100010150140_100000073702 [0,2,0,0,0,0|2,0,0]=4 1657 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)Br 34a_100000700630_100015307671 [0,2,0,0,0,0|1,0,1]=4 1658 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)Br 7a_100000700630_100015307671 [0,2,0,0,0,0|1,0,1]=4 1659 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)Cl 34a_100012002407_100015307671 [0,2,0,0,0,0|1,0,1]=4 1660 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)Cl 7a_100012002407_100015307671 [0,2,0,0,0,0|1,0,1]=4 1661 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)F 34a_100011219218_100015307671 [0,2,0,0,0,0|1,0,1]=4 1662 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)F 7a_100011219218_100015307671 [0,2,0,0,0,0|1,0,1]=4 1663 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)I 34a_100010150140_100015307671 [0,2,0,0,0,0|1,0,1]=4 1664 B18R2.29451 Cc1ccc(cc1COC[C@H]2COC(=O)N2)I 7a_100010150140_100015307671 [0,2,0,0,0,0|1,0,1]=4 1665 B18R2.29451 Nc1ccc(c(c1)COCC2COC(=O)O2)Br 34a_100012347228_100000073702 [0,2,0,0,0,0|2,0,0]=4 1666 B18R2.29451 Nc1ccc(c(c1)COCC2COC(=O)O2)Cl 34a_100011273577_100000073702 [0,2,0,0,0,0|2,0,0]=4 1667 B18R2.29451 Nc1ccc(c(c1)COCC2COC(=O)O2)F 34a_100011218011_100000073702 [0,2,0,0,0,0|2,0,0]=4 1668 B18R2.29451 Nc1ccc(c(c1)COC[C@H]2COC(=O)N2)Br 34a_100012347228_100015307671 [0,2,0,0,0,0|1,0,1]=4 1669 B18R2.29451 Nc1ccc(c(c1)COC[C@H]2COC(=O)N2)Cl 34a_100011273577_100015307671 [0,2,0,0,0,0|1,0,1]=4 1670 B18R2.29451 Nc1ccc(c(c1)COC[C@H]2COC(=O)N2)F 34a_100011218011_100015307671 [0,2,0,0,0,0|1,0,1]=4 1671 B18R2.29451 Nc1ccc(cc1COCC2COC(=O)O2)Br 34a_100012353972_100000073702 [0,2,0,0,0,0|2,0,0]=4 1672 B18R2.29451 Nc1ccc(cc1COCC2COC(=O)O2)Cl 34a_100011214999_100000073702 [0,2,0,0,0,0|2,0,0]=4 1673 B18R2.29451 Nc1ccc(cc1COCC2COC(=O)O2)F 34a_100011296978_100000073702 [0,2,0,0,0,0|2,0,0]=4 1674 B18R2.29451 Nc1ccc(cc1COC[C@H]2COC(=O)N2)Br 34a_100012353972_100015307671 [0,2,0,0,0,0|1,0,1]=4 1675 B18R2.29451 Nc1ccc(cc1COC[C@H]2COC(=O)N2)Br 7a_100012353972_100015307671 [0,2,0,0,0,0|1,0,1]=4 1676 B18R2.29451 Nc1ccc(cc1COC[C@H]2COC(=O)N2)Cl 34a_100011214999_100015307671 [0,2,0,0,0,0|1,0,1]=4 1677 B18R2.29451 Nc1ccc(cc1COC[C@H]2COC(=O)N2)Cl 7a_100011214999_100015307671 [0,2,0,0,0,0|1,0,1]=4 1678 B18R2.29451 Nc1ccc(cc1COC[C@H]2COC(=O)N2)F 34a_100011296978_100015307671 [0,2,0,0,0,0|1,0,1]=4 1679 B18R2.29451 Nc1ccc(cc1COC[C@H]2COC(=O)N2)F 7a_100011296978_100015307671 [0,2,0,0,0,0|1,0,1]=4 1680 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)Br 34a_100011266457_100015307671 [0,2,0,0,0,0|1,0,1]=4 1681 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)Br 7a_100011266457_100015307671 [0,2,0,0,0,0|1,0,1]=4 1682 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)Cl 34a_100012355668_100015307671 [0,2,0,0,0,0|1,0,1]=4 1683 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)Cl 7a_100012355668_100015307671 [0,2,0,0,0,0|1,0,1]=4 1684 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)F 34a_100011217561_100015307671 [0,2,0,0,0,0|1,0,1]=4 1685 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)F 7a_100011217561_100015307671 [0,2,0,0,0,0|1,0,1]=4 1686 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Br)I 7a_100012359683_100015307671 [0,2,0,0,0,0|1,0,1]=4 1687 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)Br 34a_100011215897_100015307671 [0,2,0,0,0,0|1,0,1]=4 1688 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)Br 7a_100011215897_100015307671 [0,2,0,0,0,0|1,0,1]=4 1689 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)Cl 34a_100000698905_100015307671 [0,2,0,0,0,0|1,0,1]=4 1690 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)Cl 7a_100000698905_100015307671 [0,2,0,0,0,0|1,0,1]=4 1691 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)F 34a_100011218361_100015307671 [0,2,0,0,0,0|1,0,1]=4 1692 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)F 7a_100011218361_100015307671 [0,2,0,0,0,0|1,0,1]=4 1693 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)I 34a_100010128486_100015307671 [0,2,0,0,0,0|1,0,1]=4 1694 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2Cl)I 7a_100010128486_100015307671 [0,2,0,0,0,0|1,0,1]=4 1695 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)Br 34a_100000246282_100015307671 [0,2,0,0,0,0|1,0,1]=4 1696 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)Br 7a_100000246282_100015307671 [0,2,0,0,0,0|1,0,1]=4 1697 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)Cl 34a_100011217248_100015307671 [0,2,0,0,0,0|1,0,1]=4 1698 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)Cl 7a_100011217248_100015307671 [0,2,0,0,0,0|1,0,1]=4 1699 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)F 34a_100011217725_100015307671 [0,2,0,0,0,0|1,0,1]=4 1700 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)F 7a_100011217725_100015307671 [0,2,0,0,0,0|1,0,1]=4 1701 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)I 34a_100000049604_100015307671 [0,2,0,0,0,0|1,0,1]=4 1702 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2F)I 7a_100000049604_100015307671 [0,2,0,0,0,0|1,0,1]=4 1703 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2I)Br 34a_100011356890_100015307671 [0,2,0,0,0,0|1,0,1]=4 1704 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2I)Br 7a_100011356890_100015307671 [0,2,0,0,0,0|1,0,1]=4 1705 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2I)F 34a_100010255287_100015307671 [0,2,0,0,0,0|1,0,1]=4 1706 B18R2.29451 O=C1N[C@H](CO1)COCc2cc(ccc2I)F 7a_100010255287_100015307671 [0,2,0,0,0,0|1,0,1]=4 1707 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Br)Br 34a_100011266457_100000073702 [0,2,0,0,0,0|2,0,0]=4 1708 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Br)Cl 34a_100012355668_100000073702 [0,2,0,0,0,0|2,0,0]=4 1709 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Br)F 34a_100011217561_100000073702 [0,2,0,0,0,0|2,0,0]=4 1710 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Cl)Br 34a_100011215897_100000073702 [0,2,0,0,0,0|2,0,0]=4 1711 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Cl)Cl 34a_100000698905_100000073702 [0,2,0,0,0,0|2,0,0]=4 1712 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Cl)F 34a_100011218361_100000073702 [0,2,0,0,0,0|2,0,0]=4 1713 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2Cl)I 34a_100010128486_100000073702 [0,2,0,0,0,0|2,0,0]=4 1714 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2F)Br 34a_100000246282_100000073702 [0,2,0,0,0,0|2,0,0]=4 1715 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2F)Cl 34a_100011217248_100000073702 [0,2,0,0,0,0|2,0,0]=4 1716 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2F)F 34a_100011217725_100000073702 [0,2,0,0,0,0|2,0,0]=4 1717 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2F)I 34a_100000049604_100000073702 [0,2,0,0,0,0|2,0,0]=4 1718 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2I)Br 34a_100011356890_100000073702 [0,2,0,0,0,0|2,0,0]=4 1719 B18R2.29451 O=C1OCC(O1)COCc2cc(ccc2I)F 34a_100010255287_100000073702 [0,2,0,0,0,0|2,0,0]=4 1720 B18R2.29458 Cc1c(cccc1COCC2COC(=O)O2)Br 34a_100000694458_100000073702 [0,2,0,0,0,0|2,0,0]=4 1721 B18R2.29458 Cc1c(cccc1COCC2COC(=O)O2)Cl 34a_100012000165_100000073702 [0,2,0,0,0,0|2,0,0]=4 1722 B18R2.29458 Cc1c(cccc1COCC2COC(=O)O2)F 34a_100000042775_100000073702 [0,2,0,0,0,0|2,0,0]=4 1723 B18R2.29458 Cc1c(cccc1COCC2COC(=O)O2)I 34a_100010150139_100000073702 [0,2,0,0,0,0|2,0,0]=4 1724 B18R2.29458 Cc1c(cccc1COCC2COC(=O)O2)N 34a_102495339961_100000073702 [0,2,0,0,0,0|2,0,0]=4 1725 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)Br 34a_100000694458_100015307671 [0,2,0,0,0,0|1,0,1]=4 1726 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)Br 7a_100000694458_100015307671 [0,2,0,0,0,0|1,0,1]=4 1727 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)Cl 34a_100012000165_100015307671 [0,2,0,0,0,0|1,0,1]=4 1728 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)Cl 7a_100012000165_100015307671 [0,2,0,0,0,0|1,0,1]=4 1729 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)F 34a_100000042775_100015307671 [0,2,0,0,0,0|1,0,1]=4 1730 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)F 7a_100000042775_100015307671 [0,2,0,0,0,0|1,0,1]=4 1731 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)I 34a_100010150139_100015307671 [0,2,0,0,0,0|1,0,1]=4 1732 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)I 7a_100010150139_100015307671 [0,2,0,0,0,0|1,0,1]=4 1733 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)N 34a_102495339961_100015307671 [0,2,0,0,0,0|1,0,1]=4 1734 B18R2.29458 Cc1c(cccc1COC[C@H]2COC(=O)N2)N 7a_102495339961_100015307671 [0,2,0,0,0,0|1,0,1]=4 1735 B18R2.29458 Cc1cccc(c1Br)COCC2COC(=O)O2 34a_100011659289_100000073702 [0,2,0,0,0,0|2,0,0]=4 1736 B18R2.29458 Cc1cccc(c1Br)COC[C@H]2COC(=O)N2 34a_100011659289_100015307671 [0,2,0,0,0,0|1,0,1]=4 1737 B18R2.29458 Cc1cccc(c1Br)COC[C@H]2COC(=O)N2 7a_100011659289_100015307671 [0,2,0,0,0,0|1,0,1]=4 1738 B18R2.29458 Cc1cccc(c1C)COCC2COC(=O)O2 34a_100011219135_100000073702 [0,2,0,0,0,0|2,0,0]=4 1739 B18R2.29458 Cc1cccc(c1C)COC[C@H]2COC(=O)N2 34a_100011219135_100015307671 [0,2,0,0,0,0|1,0,1]=4 1740 B18R2.29458 Cc1cccc(c1C)COC[C@H]2COC(=O)N2 7a_100011219135_100015307671 [0,2,0,0,0,0|1,0,1]=4 1741 B18R2.29458 Cc1cccc(c1Cl)COCC2COC(=O)O2 34a_100000710031_100000073702 [0,2,0,0,0,0|2,0,0]=4 1742 B18R2.29458 Cc1cccc(c1Cl)COC[C@H]2COC(=O)N2 34a_100000710031_100015307671 [0,2,0,0,0,0|1,0,1]=4 1743 B18R2.29458 Cc1cccc(c1Cl)COC[C@H]2COC(=O)N2 7a_100000710031_100015307671 [0,2,0,0,0,0|1,0,1]=4 1744 B18R2.29458 Cc1cccc(c1F)COCC2COC(=O)O2 34a_200011219517_100000073702 [0,2,0,0,0,0|2,0,0]=4 1745 B18R2.29458 Cc1cccc(c1F)COC[C@H]2COC(=O)N2 34a_200011219517_100015307671 [0,2,0,0,0,0|1,0,1]=4 1746 B18R2.29458 Cc1cccc(c1F)COC[C@H]2COC(=O)N2 7a_200011219517_100015307671 [0,2,0,0,0,0|1,0,1]=4 1747 B18R2.29458 Cc1cccc(c1I)COCC2COC(=O)O2 34a_100012349780_100000073702 [0,2,0,0,0,0|2,0,0]=4 1748 B18R2.29458 Cc1cccc(c1I)COC[C@H]2COC(=O)N2 34a_100012349780_100015307671 [0,2,0,0,0,0|1,0,1]=4 1749 B18R2.29458 Cc1cccc(c1I)COC[C@H]2COC(=O)N2 7a_100012349780_100015307671 [0,2,0,0,0,0|1,0,1]=4 1750 B18R2.29458 Cc1cccc(c1N)COCC2COC(=O)O2 34a_100011215590_100000073702 [0,2,0,0,0,0|2,0,0]=4 1751 B18R2.29458 Cc1cccc(c1N)COC[C@H]2COC(=O)N2 34a_100011215590_100015307671 [0,2,0,0,0,0|1,0,1]=4 1752 B18R2.29458 Nc1c(cccc1COCC2COC(=O)O2)Br 34a_100012349457_100000073702 [0,2,0,0,0,0|2,0,0]=4 1753 B18R2.29458 Nc1c(cccc1COCC2COC(=O)O2)Cl 34a_100012182729_100000073702 [0,2,0,0,0,0|2,0,0]=4 1754 B18R2.29458 Nc1c(cccc1COCC2COC(=O)O2)F 34a_100000692437_100000073702 [0,2,0,0,0,0|2,0,0]=4 1755 B18R2.29458 Nc1c(cccc1COC[C@H]2COC(=O)N2)Br 34a_100012349457_100015307671 [0,2,0,0,0,0|1,0,1]=4 1756 B18R2.29458 Nc1c(cccc1COC[C@H]2COC(=O)N2)Cl 34a_100012182729_100015307671 [0,2,0,0,0,0|1,0,1]=4 1757 B18R2.29458 Nc1c(cccc1COC[C@H]2COC(=O)N2)F 34a_100000692437_100015307671 [0,2,0,0,0,0|1,0,1]=4 1758 B18R2.29458 Nc1cccc(c1F)COCC2COC(=O)O2 34a_100012023829_100000073702 [0,2,0,0,0,0|2,0,0]=4 1759 B18R2.29458 Nc1cccc(c1F)COC[C@H]2COC(=O)N2 34a_100012023829_100015307671 [0,2,0,0,0,0|1,0,1]=4 1760 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Br)Cl 34a_100010168166_100015307671 [0,2,0,0,0,0|1,0,1]=4 1761 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Br)Cl 7a_100010168166_100015307671 [0,2,0,0,0,0|1,0,1]=4 1762 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Br)F 34a_100012351117_100015307671 [0,2,0,0,0,0|1,0,1]=4 1763 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Br)F 7a_100012351117_100015307671 [0,2,0,0,0,0|1,0,1]=4 1764 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Br)I 34a_100010240205_100015307671 [0,2,0,0,0,0|1,0,1]=4 1765 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Br)I 7a_100010240205_100015307671 [0,2,0,0,0,0|1,0,1]=4 1766 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Cl)Br 34a_100012351182_100015307671 [0,2,0,0,0,0|1,0,1]=4 1767 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Cl)Br 7a_100012351182_100015307671 [0,2,0,0,0,0|1,0,1]=4 1768 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Cl)Cl 34a_100000720469_100015307671 [0,2,0,0,0,0|1,0,1]=4 1769 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Cl)Cl 7a_100000720469_100015307671 [0,2,0,0,0,0|1,0,1]=4 1770 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Cl)F 34a_100000696319_100015307671 [0,2,0,0,0,0|1,0,1]=4 1771 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2Cl)F 7a_100000696319_100015307671 [0,2,0,0,0,0|1,0,1]=4 1772 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)Br 34a_100011935076_100015307671 [0,2,0,0,0,0|1,0,1]=4 1773 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)Br 7a_100011935076_100015307671 [0,2,0,0,0,0|1,0,1]=4 1774 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)Cl 34a_100011216988_100015307671 [0,2,0,0,0,0|1,0,1]=4 1775 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)Cl 7a_100011216988_100015307671 [0,2,0,0,0,0|1,0,1]=4 1776 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)F 34a_100011218644_100015307671 [0,2,0,0,0,0|1,0,1]=4 1777 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)F 7a_100011218644_100015307671 [0,2,0,0,0,0|1,0,1]=4 1778 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)I 34a_200010235739_100015307671 [0,2,0,0,0,0|1,0,1]=4 1779 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2F)I 7a_200010235739_100015307671 [0,2,0,0,0,0|1,0,1]=4 1780 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2I)Br 34a_100010146604_100015307671 [0,2,0,0,0,0|1,0,1]=4 1781 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2I)Br 7a_100010146604_100015307671 [0,2,0,0,0,0|1,0,1]=4 1782 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2I)F 34a_100000692438_100015307671 [0,2,0,0,0,0|1,0,1]=4 1783 B18R2.29458 O=C1N[C@H](CO1)COCc2cccc(c2I)F 7a_100000692438_100015307671 [0,2,0,0,0,0|1,0,1]=4 1784 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2Br)Cl 34a_100010168166_100000073702 [0,2,0,0,0,0|2,0,0]=4 1785 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2Br)F 34a_100012351117_100000073702 [0,2,0,0,0,0|2,0,0]=4 1786 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2Br)I 34a_100010240205_100000073702 [0,2,0,0,0,0|2,0,0]=4 1787 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2Cl)Br 34a_100012351182_100000073702 [0,2,0,0,0,0|2,0,0]=4 1788 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2Cl)Cl 34a_100000720469_100000073702 [0,2,0,0,0,0|2,0,0]=4 1789 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2Cl)F 34a_100000696319_100000073702 [0,2,0,0,0,0|2,0,0]=4 1790 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2F)Br 34a_100011935076_100000073702 [0,2,0,0,0,0|2,0,0]=4 1791 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2F)Cl 34a_100011216988_100000073702 [0,2,0,0,0,0|2,0,0]=4 1792 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2F)F 34a_100011218644_100000073702 [0,2,0,0,0,0|2,0,0]=4 1793 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2F)I 34a_200010235739_100000073702 [0,2,0,0,0,0|2,0,0]=4 1794 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2I)Br 34a_100010146604_100000073702 [0,2,0,0,0,0|2,0,0]=4 1795 B18R2.29458 O=C1OCC(O1)COCc2cccc(c2I)F 34a_100000692438_100000073702 [0,2,0,0,0,0|2,0,0]=4 1796 B18R2.265485 Cc1cc(cc(c1)COCC2COC(=O)O2)Br 34a_100000720511_100000073702 [0,2,0,0,0,0|2,0,0]=4 1797 B18R2.265485 Cc1cc(cc(c1)COCC2COC(=O)O2)C 34a_100011216556_100000073702 [0,2,0,0,0,0|2,0,0]=4 1798 B18R2.265485 Cc1cc(cc(c1)COCC2COC(=O)O2)F 34a_100011217934_100000073702 [0,2,0,0,0,0|2,0,0]=4 1799 B18R2.265485 Cc1cc(cc(c1)COC[C@H]2COC(=O)N2)Br 34a_100000720511_100015307671 [0,2,0,0,0,0|1,0,1]=4 1800 B18R2.265485 Cc1cc(cc(c1)COC[C@H]2COC(=O)N2)Br 7a_100000720511_100015307671 [0,2,0,0,0,0|1,0,1]=4 1801 B18R2.265485 Cc1cc(cc(c1)COC[C@H]2COC(=O)N2)C 34a_100011216556_100015307671 [0,2,0,0,0,0|1,0,1]=4 1802 B18R2.265485 Cc1cc(cc(c1)COC[C@H]2COC(=O)N2)C 7a_100011216556_100015307671 [0,2,0,0,0,0|1,0,1]=4 1803 B18R2.265485 Cc1cc(cc(c1)COC[C@H]2COC(=O)N2)F 34a_100011217934_100015307671 [0,2,0,0,0,0|1,0,1]=4 1804 B18R2.265485 Cc1cc(cc(c1)COC[C@H]2COC(=O)N2)F 7a_100011217934_100015307671 [0,2,0,0,0,0|1,0,1]=4 1805 B18R2.265485 Nc1cc(cc(c1)COCC2COC(=O)O2)Cl 34a_100012002482_100000073702 [0,2,0,0,0,0|2,0,0]=4 1806 B18R2.265485 Nc1cc(cc(c1)COCC2COC(=O)O2)N 34a_100000032468_100000073702 [0,2,0,0,0,0|2,0,0]=4 1807 B18R2.265485 Nc1cc(cc(c1)COC[C@H]2COC(=O)N2)Cl 34a_100012002482_100015307671 [0,2,0,0,0,0|1,0,1]=4 1808 B18R2.265485 Nc1cc(cc(c1)COC[C@H]2COC(=O)N2)Cl 7a_100012002482_100015307671 [0,2,0,0,0,0|1,0,1]=4 1809 B18R2.265485 Nc1cc(cc(c1)COC[C@H]2COC(=O)N2)N 34a_100000032468_100015307671 [0,2,0,0,0,0|1,0,1]=4 1810 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Br)Br 34a_100011218366_100015307671 [0,2,0,0,0,0|1,0,1]=4 1811 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Br)Br 7a_100011218366_100015307671 [0,2,0,0,0,0|1,0,1]=4 1812 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Br)Cl 34a_100012353933_100015307671 [0,2,0,0,0,0|1,0,1]=4 1813 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Br)Cl 7a_100012353933_100015307671 [0,2,0,0,0,0|1,0,1]=4 1814 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Br)F 34a_100000766897_100015307671 [0,2,0,0,0,0|1,0,1]=4 1815 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Br)F 7a_100000766897_100015307671 [0,2,0,0,0,0|1,0,1]=4 1816 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Cl)Cl 34a_100011218629_100015307671 [0,2,0,0,0,0|1,0,1]=4 1817 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Cl)Cl 7a_100011218629_100015307671 [0,2,0,0,0,0|1,0,1]=4 1818 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Cl)F 34a_100011217560_100015307671 [0,2,0,0,0,0|1,0,1]=4 1819 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)Cl)F 7a_100011217560_100015307671 [0,2,0,0,0,0|1,0,1]=4 1820 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)F)F 34a_100011215443_100015307671 [0,2,0,0,0,0|1,0,1]=4 1821 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)F)F 7a_100011215443_100015307671 [0,2,0,0,0,0|1,0,1]=4 1822 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)I)Br 7a_100009814756_100015307671 [0,2,0,0,0,0|1,0,1]=4 1823 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)I)F 34a_100010149598_100015307671 [0,2,0,0,0,0|1,0,1]=4 1824 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)I)F 7a_100010149598_100015307671 [0,2,0,0,0,0|1,0,1]=4 1825 B18R2.265485 O=C1N[C@H](CO1)COCc2cc(cc(c2)I)I 7a_100010205817_100015307671 [0,2,0,0,0,0|1,0,1]=4 1826 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)Br)Br 34a_100011218366_100000073702 [0,2,0,0,0,0|2,0,0]=4 1827 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)Br)Cl 34a_100012353933_100000073702 [0,2,0,0,0,0|2,0,0]=4 1828 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)Br)F 34a_100000766897_100000073702 [0,2,0,0,0,0|2,0,0]=4 1829 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)Cl)Cl 34a_100011218629_100000073702 [0,2,0,0,0,0|2,0,0]=4 1830 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)Cl)F 34a_100011217560_100000073702 [0,2,0,0,0,0|2,0,0]=4 1831 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)F)F 34a_100011215443_100000073702 [0,2,0,0,0,0|2,0,0]=4 1832 B18R2.265485 O=C1OCC(O1)COCc2cc(cc(c2)I)F 34a_100010149598_100000073702 [0,2,0,0,0,0|2,0,0]=4 1833 B18R2.3069 C#Cc1ccccc1COCC2COC(=O)O2 34a_100000054652_100000073702 [0,2,0,0,0,0|2,0,0]=4 1834 B18R2.3069 C#Cc1ccccc1COC[C@H]2COC(=O)N2 34a_100000054652_100015307671 [0,2,0,0,0,0|1,0,1]=4 1835 B18R2.3069 C#Cc1ccccc1COC[C@H]2COC(=O)N2 7a_100000054652_100015307671 [0,2,0,0,0,0|1,0,1]=4 1836 B18R2.3069 C=Cc1ccccc1COCC2COC(=O)O2 34a_200010883148_100000073702 [0,2,0,0,0,0|2,0,0]=4 1837 B18R2.3069 C=Cc1ccccc1COC[C@H]2COC(=O)N2 34a_200010883148_100015307671 [0,2,0,0,0,0|1,0,1]=4 1838 B18R2.3069 C=Cc1ccccc1COC[C@H]2COC(=O)N2 7a_200010883148_100015307671 [0,2,0,0,0,0|1,0,1]=4 1839 B18R2.3069 CCc1ccccc1COCC2COC(=O)O2 34a_100011663872_100000073702 [0,2,0,0,0,0|2,0,0]=4 1840 B18R2.3069 CCc1ccccc1COC[C@H]2COC(=O)N2 34a_100011663872_100015307671 [0,2,0,0,0,0|1,0,1]=4 1841 B18R2.3069 CCc1ccccc1COC[C@H]2COC(=O)N2 7a_100011663872_100015307671 [0,2,0,0,0,0|1,0,1]=4 1842 B18R2.3069 COc1ccccc1COCC2COC(=O)O2 34a_100000211301_100000073702 [0,2,0,0,0,0|2,0,0]=4 1843 B18R2.3069 COc1ccccc1COC[C@H]2COC(=O)N2 34a_100000211301_100015307671 [0,2,0,0,0,0|1,0,1]=4 1844 B18R2.3069 CSc1ccccc1COCC2COC(=O)O2 34a_100000699167_100000073702 [0,2,0,0,0,0|2,0,0]=4 1845 B18R2.3069 CSc1ccccc1COC[C@H]2COC(=O)N2 34a_100000699167_100015307671 [0,2,0,0,0,0|1,0,1]=4 1846 B18R2.3069 N#Cc1ccccc1COCC2COC(=O)O2 34a_200011269968_100000073702 [0,2,0,0,0,0|2,0,0]=4 1847 B18R2.3069 N#Cc1ccccc1COC[C@H]2COC(=O)N2 34a_200011269968_100015307671 [0,2,0,0,0,0|1,0,1]=4 1848 B18R2.3069 N#Cc1ccccc1COC[C@H]2COC(=O)N2 7a_200011269968_100015307671 [0,2,0,0,0,0|1,0,1]=4 1849 B18R2.3069 NCc1ccccc1COCC2COC(=O)O2 34a_100000743596_100000073702 [0,2,0,0,0,0|2,0,0]=4 1850 B18R2.3069 NCc1ccccc1COC[C@H]2COC(=O)N2 34a_100000743596_100015307671 [0,2,0,0,0,0|1,0,1]=4 1851 B18R2.3069 O=C1N[C@H](CO1)COCc2ccccc2CBr 34a_100009816955_100015307671 [0,2,0,0,0,0|1,0,1]=4 1852 B18R2.3069 O=C1N[C@H](CO1)COCc2ccccc2CBr 7a_100009816955_100015307671 [0,2,0,0,0,0|1,0,1]=4 1853 B18R2.3069 O=C1OCC(O1)COCc2ccccc2CBr 34a_100009816955_100000073702 [0,2,0,0,0,0|2,0,0]=4 1854 B18R2.264592 Cc1cccc(c1COCC2COC(=O)O2)C 34a_100011933981_100000073702 [0,2,0,0,0,0|2,0,0]=4 1855 B18R2.264592 Cc1cccc(c1COCC2COC(=O)O2)Cl 34a_100000082531_100000073702 [0,2,0,0,0,0|2,0,0]=4 1856 B18R2.264592 Cc1cccc(c1COCC2COC(=O)O2)F 34a_100000057874_100000073702 [0,2,0,0,0,0|2,0,0]=4 1857 B18R2.264592 Cc1cccc(c1COC[C@H]2COC(=O)N2)C 34a_100011933981_100015307671 [0,2,0,0,0,0|1,0,1]=4 1858 B18R2.264592 Cc1cccc(c1COC[C@H]2COC(=O)N2)C 7a_100011933981_100015307671 [0,2,0,0,0,0|1,0,1]=4 1859 B18R2.264592 Cc1cccc(c1COC[C@H]2COC(=O)N2)Cl 34a_100000082531_100015307671 [0,2,0,0,0,0|1,0,1]=4 1860 B18R2.264592 Cc1cccc(c1COC[C@H]2COC(=O)N2)Cl 7a_100000082531_100015307671 [0,2,0,0,0,0|1,0,1]=4 1861 B18R2.264592 Cc1cccc(c1COC[C@H]2COC(=O)N2)F 34a_100000057874_100015307671 [0,2,0,0,0,0|1,0,1]=4 1862 B18R2.264592 Cc1cccc(c1COC[C@H]2COC(=O)N2)F 7a_100000057874_100015307671 [0,2,0,0,0,0|1,0,1]=4 1863 B18R2.264592 Nc1cccc(c1COCC2COC(=O)O2)Br 34a_100000747656_100000073702 [0,2,0,0,0,0|2,0,0]=4 1864 B18R2.264592 Nc1cccc(c1COCC2COC(=O)O2)Cl 34a_100011916388_100000073702 [0,2,0,0,0,0|2,0,0]=4 1865 B18R2.264592 Nc1cccc(c1COCC2COC(=O)O2)F 34a_100011846719_100000073702 [0,2,0,0,0,0|2,0,0]=4 1866 B18R2.264592 Nc1cccc(c1COC[C@H]2COC(=O)N2)Br 34a_100000747656_100015307671 [0,2,0,0,0,0|1,0,1]=4 1867 B18R2.264592 Nc1cccc(c1COC[C@H]2COC(=O)N2)Cl 34a_100011916388_100015307671 [0,2,0,0,0,0|1,0,1]=4 1868 B18R2.264592 Nc1cccc(c1COC[C@H]2COC(=O)N2)F 34a_100011846719_100015307671 [0,2,0,0,0,0|1,0,1]=4 1869 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Br)Br 34a_100010172814_100015307671 [0,2,0,0,0,0|1,0,1]=4 1870 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Br)Br 7a_100010172814_100015307671 [0,2,0,0,0,0|1,0,1]=4 1871 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Br)F 34a_100012355691_100015307671 [0,2,0,0,0,0|1,0,1]=4 1872 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Br)F 7a_100012355691_100015307671 [0,2,0,0,0,0|1,0,1]=4 1873 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Cl)Cl 34a_100000215722_100015307671 [0,2,0,0,0,0|1,0,1]=4 1874 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Cl)Cl 7a_100000215722_100015307671 [0,2,0,0,0,0|1,0,1]=4 1875 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Cl)F 34a_100000215723_100015307671 [0,2,0,0,0,0|1,0,1]=4 1876 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2Cl)F 7a_100000215723_100015307671 [0,2,0,0,0,0|1,0,1]=4 1877 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2F)F 34a_100000698215_100015307671 [0,2,0,0,0,0|1,0,1]=4 1878 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2F)F 7a_100000698215_100015307671 [0,2,0,0,0,0|1,0,1]=4 1879 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2I)F 34a_100010214973_100015307671 [0,2,0,0,0,0|1,0,1]=4 1880 B18R2.264592 O=C1N[C@H](CO1)COCc2c(cccc2I)F 7a_100010214973_100015307671 [0,2,0,0,0,0|1,0,1]=4 1881 B18R2.264592 O=C1OCC(O1)COCc2c(cccc2Br)Br 34a_100010172814_100000073702 [0,2,0,0,0,0|2,0,0]=4 1882 B18R2.264592 O=C1OCC(O1)COCc2c(cccc2Br)F 34a_100012355691_100000073702 [0,2,0,0,0,0|2,0,0]=4 1883 B18R2.264592 O=C1OCC(O1)COCc2c(cccc2Cl)Cl 34a_100000215722_100000073702 [0,2,0,0,0,0|2,0,0]=4 1884 B18R2.264592 O=C1OCC(O1)COCc2c(cccc2Cl)F 34a_100000215723_100000073702 [0,2,0,0,0,0|2,0,0]=4 1885 B18R2.264592 O=C1OCC(O1)COCc2c(cccc2F)F 34a_100000698215_100000073702 [0,2,0,0,0,0|2,0,0]=4 1886 B18R2.264592 O=C1OCC(O1)COCc2c(cccc2I)F 34a_100010214973_100000073702 [0,2,0,0,0,0|2,0,0]=4 1887 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,0,1,0,1,0|2,0,0]=4 1888 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,0,1,0,1,0|2,0,0]=4 1889 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [0,0,1,0,1,0|2,0,0]=4 1890 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [0,0,1,0,1,0|2,0,0]=4 1891 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [0,0,1,0,1,0|2,0,0]=4 1892 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [0,0,1,0,1,0|2,0,0]=4 1893 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [0,0,1,0,1,0|2,0,0]=4 1894 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [0,0,1,0,1,0|2,0,0]=4 1895 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [0,0,1,0,1,0|2,0,0]=4 1896 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,0,1,0,1,0|2,0,0]=4 1897 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,0,1,0,1,0|2,0,0]=4 1898 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,0,1,0,1,0|2,0,0]=4 1899 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,0,1,0,1,0|2,0,0]=4 1900 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,1,0,1,0|1,0,0]=3 1901 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,1,0,1,0|1,0,0]=3 1902 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,0,1,0,1,0|1,1,0]=4 1903 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,0,1,0,1,0|1,1,0]=4 1904 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [0,0,1,0,1,0|1,0,1]=4 1905 B14R1.716 NC(=NO)CCOCc1ccccc1 34a_100000749954_100015291786 [0,0,1,0,1,0|2,0,0]=4 1906 B14R1.6449 CC(=O)C(C)COCc1ccccc1 34a_100000032740_100015291786 [0,0,1,0,1,0|1,0,1]=4 1907 B14R1.6449 CC(=O)C(C)COCc1ccccc1 7a_100000032740_100000211182 [0,0,1,0,1,0|1,0,1]=4 1908 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,0,1,0,1,0|2,0,0]=4 1909 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccc1 34a_100000729942_100015291786 [0,0,1,0,1,0|1,0,1]=4 1910 B14R2.101 c1ccc(cc1)COC2CCOC2 34a_100000210790_100000690089 [1,0,0,0,1,0|1,0,1]=4 1911 B14R2.101 c1ccc(cc1)COC2CCOC2 7a_100000210790_100000731011 [1,0,0,0,1,0|1,0,1]=4 1912 B14R2.101 c1ccc(cc1)CO[C@H]2CCOC2 34a_100000717292_100015291786 [1,0,0,0,1,0|1,0,1]=4 1913 B14R2.101 c1ccc(cc1)OCC2CCOC2 34a_100000210340_100011261433 [1,0,0,0,1,0|1,0,1]=4 1914 B14R2.101 c1ccc(cc1)OCC2CCOC2 7a_100000210340_100000702531 [1,0,0,0,1,0|1,0,1]=4 1915 B14R2.101 c1ccc(cc1)OCc2ncon2 34a_100000210340_100000233494 [1,0,0,0,1,0|1,0,1]=4 1916 B14R2.3019 c1ccc(cc1)CNCC2COC2 207a_100015281925_100015611070 [1,0,0,0,1,0|1,0,1]=4 1917 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015281925_100015291786 [1,0,0,0,1,0|1,0,1]=4 1918 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015324214_100010264016 [1,0,0,0,1,0|1,0,1]=4 1919 B14R2.3019 c1ccc(cc1)CNCC2COC2 270004a_100015281925_100015611070 [1,0,0,0,1,0|1,0,1]=4 1920 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015281925_100015291786 [1,0,0,0,1,0|1,0,1]=4 1921 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015324214_100010264016 [1,0,0,0,1,0|1,0,1]=4 1922 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000210790_100000763275 [1,0,0,0,1,0|1,0,1]=4 1923 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000760304_100015291786 [1,0,0,0,1,0|1,0,1]=4 1924 B14R2.3019 c1ccc(cc1)COCC2CCC2 7a_100000210790_100000763275 [1,0,0,0,1,0|1,0,1]=4 1925 B14R2.3019 c1ccc(cc1)COCC2CCO2 34a_100000039022_100015291786 [1,0,0,0,1,0|1,0,1]=4 1926 B14R2.3019 c1ccc(cc1)COCC2CCO2 34a_100000210790_100000103362 [1,0,0,0,1,0|1,0,1]=4 1927 B14R2.3019 c1ccc(cc1)COCC2CCO2 7a_100000210790_100000103362 [1,0,0,0,1,0|1,0,1]=4 1928 B14R2.3019 c1ccc(cc1)COCC2CNC2 34a_100016987283_100015291786 [1,0,0,0,1,0|1,0,1]=4 1929 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000060846_100015291786 [1,0,0,0,1,0|0,0,1]=3 1930 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000210790_100010264016 [1,0,0,0,1,0|0,0,1]=3 1931 B14R2.3019 c1ccc(cc1)COCC2COC2 7a_100000210790_100010264016 [1,0,0,0,1,0|0,0,1]=3 1932 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100000211182_100010264016 [1,0,0,0,1,0|0,1,1]=4 1933 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100010264016_100015291786 [1,0,0,0,1,0|0,1,1]=4 1934 B14R2.3019 c1ccc(nc1)COCC2COC2 34a_100000060846_100000721315 [1,0,0,0,1,0|1,0,1]=4 1935 B14R2.3019 c1cncc(c1)COCC2COC2 34a_100000060846_100000733263 [1,0,0,0,1,0|1,0,1]=4 1936 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,0,2,0|2,0,0]=4 1937 B14R2.31 O=C1CCC1OCc2ccccc2 34a_100000210790_100009892977 [0,0,0,0,2,0|2,0,0]=4 1938 B14R2.31 O=C1CCC1OCc2ccccc2 7a_100000210790_100009892977 [0,0,0,0,2,0|2,0,0]=4 1939 B14R2.436 O=C1CC(C1)COc2ccccc2 7a_100000210340_100009874392 [0,0,0,0,2,0|2,0,0]=4 1940 B14R2.49 CC1CC1COCc2ccccc2 34a_100000744939_100015291786 [0,0,0,0,2,0|1,0,1]=4 1941 B14R2.49 CC1CC1COCc2ccccc2 7a_100000744939_100000211182 [0,0,0,0,2,0|1,0,1]=4 1942 B16R1.596 C=C(C)COCCCOCc1ccccc1 34a_100000210245_100011215529 [0,0,1,0,0,1|2,0,0]=4 1943 B16R1.596 C=C(C)COCCCOCc1ccccc1 34a_100000691849_100000748629 [0,0,1,0,0,1|2,0,0]=4 1944 B16R1.596 C=C(C)COCCCOCc1ccccc1 7a_100000691849_100000748629 [0,0,1,0,0,1|2,0,0]=4 1945 B16R1.596 C=C(F)COCCCOCc1ccccc1 34a_100000691849_100009893438 [0,0,1,0,0,1|2,0,0]=4 1946 B16R1.596 C=C(F)COCCCOCc1ccccc1 34a_200010262243_100011215529 [0,0,1,0,0,1|2,0,0]=4 1947 B16R1.596 C=C(F)COCCCOCc1ccccc1 7a_100000691849_100000042424 [0,0,1,0,0,1|2,0,0]=4 1948 B16R1.596 CC(=O)COCCCOCc1ccccc1 34a_100000211253_100011215529 [0,0,1,0,0,1|2,0,0]=4 1949 B16R1.596 CC(=O)OCCCCOCc1ccccc1 34a_100000073216_100015291786 [0,0,1,0,0,1|2,0,0]=4 1950 B16R1.596 CC(=O)OCCCCOCc1ccccc1 34a_100000210790_100000033659 [0,0,1,0,0,1|2,0,0]=4 1951 B16R1.596 CC(=O)OCCCCOCc1ccccc1 7a_100000073216_100000211182 [0,0,1,0,0,1|2,0,0]=4 1952 B16R1.596 CC(=O)OCCCCOCc1ccccc1 7a_100000210790_100000033659 [0,0,1,0,0,1|2,0,0]=4 1953 B16R1.596 CC(=O)OCCCOCCc1ccccc1 34a_100000210268_100000042594 [0,0,1,0,0,1|2,0,0]=4 1954 B16R1.596 CC(=O)OCCCOCCc1ccccc1 7a_100000210268_100000042594 [0,0,1,0,0,1|2,0,0]=4 1955 B16R1.596 CC(=O)OCCOCOCc1ccccc1 34a_100000210790_100000076355 [0,0,1,0,0,1|2,0,0]=4 1956 B16R1.596 CC(=O)OCCSCOCc1ccccc1 62a_100000763385_100009814007 [0,0,1,0,0,1|2,0,0]=4 1957 B16R1.596 CC(=O)OCCSCOCc1ccccc1 62a_100009814007_100000763385 [0,0,1,0,0,1|2,0,0]=4 1958 B16R1.596 CC(=O)OCNCCOCc1ccccc1 34a_100000753106_100009813279 [0,0,1,0,0,1|2,0,0]=4 1959 B16R1.596 CC(=O)OCOCCOCc1ccccc1 34a_100000759325_100009813279 [0,0,1,0,0,1|2,0,0]=4 1960 B16R1.596 CC(=O)OCSCCOCc1ccccc1 62a_100000076356_100000234347 [0,0,1,0,0,1|2,0,0]=4 1961 B16R1.596 CC(=O)OCSCCOCc1ccccc1 62a_100000234347_100000076356 [0,0,1,0,0,1|2,0,0]=4 1962 B16R1.596 CC(=S)OCCCOCCc1ccccc1 34a_100000210268_200135323944 [0,0,1,0,0,1|2,0,0]=4 1963 B16R1.596 CC(=S)OCCCOCCc1ccccc1 7a_100000210268_200135323944 [0,0,1,0,0,1|2,0,0]=4 1964 B16R1.596 C[C@@H](N)COCCCOCc1ccccc1 34a_100000737577_100011215529 [0,0,1,0,0,1|1,0,1]=4 1965 B16R1.596 NC(=O)CCCCCOCc1ccccc1 34a_100000123541_100015291786 [0,0,1,0,0,1|2,0,0]=4 1966 B16R1.596 NC(=O)CCCCCOCc1ccccc1 34a_100000210790_100009817443 [0,0,1,0,0,1|2,0,0]=4 1967 B16R1.596 NC(=O)CCCCCOCc1ccccc1 7a_100000123541_100000211182 [0,0,1,0,0,1|2,0,0]=4 1968 B16R1.596 NC(=O)CCCCCOCc1ccccc1 7a_100000210790_100009817443 [0,0,1,0,0,1|2,0,0]=4 1969 B16R1.596 NC(=O)CCCCOCCc1ccccc1 34a_100012022536_100000765856 [0,0,1,0,0,1|2,0,0]=4 1970 B16R1.596 NC(=O)CCCCOCCc1ccccc1 7a_100012022536_100000765856 [0,0,1,0,0,1|2,0,0]=4 1971 B16R1.596 NC(=O)CCCNCOCc1ccccc1 34a_100000739312_100000763385 [0,0,1,0,0,1|2,0,0]=4 1972 B16R1.596 NC(=O)CCCSCOCc1ccccc1 62a_100000763385_100102525003 [0,0,1,0,0,1|2,0,0]=4 1973 B16R1.596 NC(=O)CCCSCOCc1ccccc1 62a_100102525003_100000763385 [0,0,1,0,0,1|2,0,0]=4 1974 B16R1.596 NC(=O)CCNCCOCc1ccccc1 2230a_100000753106_100000744528 [0,0,1,0,0,1|2,0,0]=4 1975 B16R1.596 NC(=O)CCNCCOCc1ccccc1 34a_100000753106_100000731001 [0,0,1,0,0,1|2,0,0]=4 1976 B16R1.596 NC(=O)CCOCCOCc1ccccc1 34a_100000757172_100000234347 [0,0,1,0,0,1|2,0,0]=4 1977 B16R1.596 NC(=O)CCOCCOCc1ccccc1 34a_100000759325_100000731001 [0,0,1,0,0,1|2,0,0]=4 1978 B16R1.596 NC(=O)CCOCCOCc1ccccc1 7a_100000757172_100000234347 [0,0,1,0,0,1|2,0,0]=4 1979 B16R1.596 NC(=O)CCOCCOCc1ccccc1 7a_100000759325_100000744528 [0,0,1,0,0,1|2,0,0]=4 1980 B16R1.596 NC(=O)CCSCCOCc1ccccc1 62a_100000234347_100000744528 [0,0,1,0,0,1|2,0,0]=4 1981 B16R1.596 NC(=O)CCSCCOCc1ccccc1 62a_100000744528_100000234347 [0,0,1,0,0,1|2,0,0]=4 1982 B16R1.596 NC(=O)CNCCCOCc1ccccc1 2230a_100000711301_100011215529 [0,0,1,0,0,1|2,0,0]=4 1983 B16R1.596 NC(=O)CNCCCOCc1ccccc1 2230a_200000206031_100000747473 [0,0,1,0,0,1|2,0,0]=4 1984 B16R1.596 NC(=O)CNCCCOCc1ccccc1 34a_200000206031_100000187820 [0,0,1,0,0,1|2,0,0]=4 1985 B16R1.596 NC(=O)COCCCCCc1ccccc1 34a_200011219639_100000187820 [0,0,1,0,0,1|2,0,0]=4 1986 B16R1.596 NC(=O)COCCCCCc1ccccc1 7a_200011219639_100000187820 [0,0,1,0,0,1|2,0,0]=4 1987 B16R1.596 NC(=O)COCCCNCc1ccccc1 34a_100000185501_100000187820 [0,0,1,0,0,1|2,0,0]=4 1988 B16R1.596 NC(=O)COCCCOCc1ccccc1 34a_100000691849_100000187820 [0,0,1,0,0,1|1,0,0]=3 1989 B16R1.596 NC(=O)COCCCOCc1ccccc1 7a_100000691849_100000187820 [0,0,1,0,0,1|1,0,0]=3 1990 B16R1.596 NC(=O)CSCCCOCc1ccccc1 62a_100000747473_100011215529 [0,0,1,0,0,1|1,1,0]=4 1991 B16R1.596 NC(=O)CSCCCOCc1ccccc1 62a_100011215529_100000747473 [0,0,1,0,0,1|1,1,0]=4 1992 B16R1.596 NC(=O)NCCNCOCc1ccccc1 34a_100020590234_100000763385 [0,0,1,0,0,1|2,0,0]=4 1993 B16R1.596 NC(=O)NCCOCOCc1ccccc1 34a_100000181757_100000763385 [0,0,1,0,0,1|2,0,0]=4 1994 B16R1.596 NC(=O)NCCSCOCc1ccccc1 62a_100000763385_200000034859 [0,0,1,0,0,1|2,0,0]=4 1995 B16R1.596 NC(=O)NCCSCOCc1ccccc1 62a_200000034859_100000763385 [0,0,1,0,0,1|2,0,0]=4 1996 B16R1.596 NC(=O)OCCNCCCc1ccccc1 34a_100000211184_200011214921 [0,0,1,0,0,1|2,0,0]=4 1997 B16R1.596 NC(=O)OCCOCCCc1ccccc1 34a_100000210828_200011214921 [0,0,1,0,0,1|2,0,0]=4 1998 B16R1.596 NC(=O)OCCOCCCc1ccccc1 7a_100000210828_200011214921 [0,0,1,0,0,1|2,0,0]=4 1999 B16R1.596 NC(=O)OCCOCCCc1ccccc1 7a_100000766696_100000211621 [0,0,1,0,0,1|2,0,0]=4 2000 B16R1.596 NC(=O)OCCSCCCc1ccccc1 62a_100000211621_200011214921 [0,0,1,0,0,1|2,0,0]=4 2001 B16R1.596 NC(=O)OCCSCCCc1ccccc1 62a_200011214921_100000211621 [0,0,1,0,0,1|2,0,0]=4 2002 B16R1.596 NC(=O)OCCSCOCc1ccccc1 62a_100000763385_200011214921 [0,0,1,0,0,1|1,0,0]=3 2003 B16R1.596 NC(=O)OCCSCOCc1ccccc1 62a_200011214921_100000763385 [0,0,1,0,0,1|1,0,0]=3 2004 B16R1.596 NC(=O)OCCSCSCc1ccccc1 62a_200011214921_200011217039 [0,0,1,0,0,1|1,1,0]=4 2005 B16R1.596 NC(=O)OCCSCSCc1ccccc1 62a_200011217039_200011214921 [0,0,1,0,0,1|1,1,0]=4 2006 B16R1.596 O=C([O-])COCCCOCc1ccccc1 34a_100000691849_100020667443 [0,0,1,0,0,1|2,0,0]=4 2007 B16R1.146 C=CC[C@H](CO)NCOCc1ccccc1 2230a_100020615467_100000763385 [0,0,1,0,0,1|2,0,0]=4 2008 B16R2.2257 C1=CCC(C1)COCCc2ccccc2 34a_100000688395_100000765856 [1,0,0,0,0,1|2,0,0]=4 2009 B16R2.2257 C1=CCC(C1)NCOCc2ccccc2 2230a_100015188752_100000763385 [1,0,0,0,0,1|2,0,0]=4 2010 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 34a_100000210268_100011261433 [1,0,0,0,0,1|1,0,1]=4 2011 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 34a_100000740260_100000765856 [1,0,0,0,0,1|1,0,1]=4 2012 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 7a_100000210268_100000702531 [1,0,0,0,0,1|1,0,1]=4 2013 B16R2.2257 c1ccc(cc1)CCOCC2COCO2 34a_100011216627_100000765856 [1,0,0,0,0,1|1,0,1]=4 2014 B16R2.2257 c1ccc(cc1)CCOCc2ncon2 34a_100000210268_100000233494 [1,0,0,0,0,1|1,0,1]=4 2015 B16R2.2257 c1ccc(cc1)COCCC2CCOC2 34a_100011879284_100015291786 [1,0,0,0,0,1|1,0,1]=4 2016 B16R2.2257 c1ccc(cc1)COCN[C@@H]2CCOC2 2230a_200015188469_100000763385 [1,0,0,0,0,1|1,0,1]=4 2017 B16R2.2257 c1ccc(cc1)COCN[C@H]2CCOC2 2230a_100015188467_100000763385 [1,0,0,0,0,1|1,0,1]=4 2018 B16R2.2257 c1ccc(cc1)COCN[C@H]2CCOC2 34a_100015188467_100000763385 [1,0,0,0,0,1|1,0,1]=4 2019 B16R2.2257 c1ccc(cc1)COCO[C@H]2CCOC2 34a_100000717292_100000763385 [1,0,0,0,0,1|1,0,1]=4 2020 B16R2.2257 c1ccc(cc1)COCSC2CCOC2 62a_100000763385_100000690089 [1,0,0,0,0,1|1,0,1]=4 2021 B18R2.3701 O=C1N[C@H](CO1)COC/C=C/c2ccccc2 34a_100000210256_100015307671 [0,0,0,0,0,2|1,0,1]=4 2022 B18R2.3701 O=C1N[C@H](CO1)COCC#Cc2ccccc2 34a_100011217464_100015307671 [0,0,0,0,0,2|1,0,1]=4 2023 B18R2.3701 O=C1N[C@H](CO1)COCC#Cc2ccccc2 7a_100011217464_100015307671 [0,0,0,0,0,2|1,0,1]=4 2024 B18R2.3701 O=C1N[C@H](CO1)COCCCc2ccccc2 34a_100000210828_100015307671 [0,0,0,0,0,2|1,0,1]=4 2025 B18R2.3701 O=C1N[C@H](CO1)COCCCc2ccccc2 7a_100000210828_100015307671 [0,0,0,0,0,2|1,0,1]=4 2026 B18R2.3701 O=C1N[C@H](CO1)COCCNc2ccccc2 34a_100000211345_100015307671 [0,0,0,0,0,2|1,0,1]=4 2027 B18R2.3701 O=C1N[C@H](CO1)COCCOc2ccccc2 34a_100000210260_100015307671 [0,0,0,0,0,2|1,0,1]=4 2028 B18R2.3701 O=C1N[C@H](CO1)COCCOc2ccccc2 7a_100000210260_100015307671 [0,0,0,0,0,2|1,0,1]=4 2029 B18R2.3701 O=C1N[C@H](CO1)COCCSc2ccccc2 7a_100000230494_100015307671 [0,0,0,0,0,2|1,0,1]=4 2030 B18R2.3701 O=C1N[C@H](CO1)CSCOCc2ccccc2 62a_100000763385_100015307671 [0,0,0,0,0,2|1,0,1]=4 2031 B18R2.3701 O=C1N[C@H](CO1)CSCOCc2ccccc2 62a_100015307671_100000763385 [0,0,0,0,0,2|1,0,1]=4 2032 B18R2.3701 O=C1OCC(O1)COC/C=C/c2ccccc2 34a_100000210256_100000073702 [0,0,0,0,0,2|2,0,0]=4 2033 B18R2.3701 O=C1OCC(O1)COCC#Cc2ccccc2 34a_100011217464_100000073702 [0,0,0,0,0,2|2,0,0]=4 2034 B18R2.3701 O=C1OCC(O1)COCCCc2ccccc2 34a_100000210828_100000073702 [0,0,0,0,0,2|2,0,0]=4 2035 B18R2.3701 O=C1OCC(O1)COCCNc2ccccc2 34a_100000211345_100000073702 [0,0,0,0,0,2|2,0,0]=4 2036 B18R2.3701 O=C1OCC(O1)COCCOc2ccccc2 34a_100000210260_100000073702 [0,0,0,0,0,2|2,0,0]=4 2037 B18R2.3701 O=C1OCC(O1)CSCOCc2ccccc2 62a_100000073702_100000763385 [0,0,0,0,0,2|2,0,0]=4 2038 B18R2.3701 O=C1OCC(O1)CSCOCc2ccccc2 62a_100000763385_100000073702 [0,0,0,0,0,2|2,0,0]=4 2039 B18R2.3701 O=C1OCC(O1)NCCOCc2ccccc2 34a_100000753106_100000032252 [0,0,0,0,0,2|2,0,0]=4 2040 B18R2.3701 O=C1OCC(O1)OCCOCc2ccccc2 34a_100000759325_100000032252 [0,0,0,0,0,2|2,0,0]=4 2041 B18R2.3701 O=C1OCC(O1)SCCOCc2ccccc2 62a_100000234347_100000032252 [0,0,0,0,0,2|2,0,0]=4 2042 B18R2.6483 O=C1COCC(N1)COCCc2ccccc2 34a_200000101122_100000765856 [0,0,0,0,0,2|1,0,1]=4