0 B16R2.2832 Cc1nc(co1)CNCc2ccccc2 207a_100015324214_100011361629 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.2832 Cc1nc(co1)CNCc2ccccc2 270004a_100015324214_100011361629 [0,0,0,0,0,0|2,0,2]=4 2 B16R2.2832 Cc1nc(co1)COCc2ccccc2 34a_100012017233_100015291786 [0,0,0,0,0,0|2,0,2]=4 3 B16R2.2832 Cc1nc(no1)CCCc2ccccc2 270196a_200000738867_100000070787 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.2832 Cc1nc(no1)CNCc2ccccc2 2230a_100015324214_100000231061 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2832 Cc1nc(no1)CNCc2ccccc2 34a_100015324214_100000231061 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 Cc1nc(no1)COCc2ccccc2 270196a_100000747618_100000070787 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2832 Cc1nc(no1)COCc2ccccc2 34a_100000210790_100000231061 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.2832 Cc1nc(no1)COCc2ccccc2 7a_100000210790_100000231061 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.2832 Cc1nc(no1)CSCc2ccccc2 62a_100000211182_100000231061 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.2832 Cc1nc(no1)CSCc2ccccc2 62a_100000231061_100015291786 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.2832 Cc1nc(no1)NCCc2ccccc2 27a_100000106460_100012003639 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.2832 Cc1nc(no1)SCCc2ccccc2 62a_100000765856_100012003639 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.2832 Cc1nc(no1)SCCc2ccccc2 62a_100012003639_100011218657 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.2832 Cc1noc(n1)CCCc2ccccc2 270196a_100000212224_100011207963 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.2832 Nc1csc(n1)SCCc2ccccc2 62a_100000765856_200015188442 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.2832 Nc1csc(n1)SCCc2ccccc2 62a_200015188442_100011218657 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.2832 Nc1nc(cs1)SCCc2ccccc2 62a_100000765856_100011998049 [0,0,0,0,0,0|1,1,2]=4 18 B16R2.2832 Nc1nc(cs1)SCCc2ccccc2 62a_100011998049_100011218657 [0,0,0,0,0,0|1,1,2]=4 19 B16R2.2832 Nc1nc(n[nH]1)SCCc2ccccc2 62a_100000765856_100015184587 [0,0,0,0,0,0|3,0,1]=4 20 B16R2.2832 Nc1nc(n[nH]1)SCCc2ccccc2 62a_100015184587_100011218657 [0,0,0,0,0,0|3,0,1]=4 21 B16R2.2832 O=C1C=C(CO1)CNCc2ccccc2 34a_100015324214_100000716558 [0,0,0,0,0,0|3,0,1]=4 22 B16R2.2832 O=C1C=C(CO1)COCc2ccccc2 34a_100000210790_100000716558 [0,0,0,0,0,0|3,0,1]=4 23 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000211182_100000716558 [0,0,0,0,0,0|3,0,1]=4 24 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000716558_100015291786 [0,0,0,0,0,0|3,0,1]=4 25 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 207a_100016993742_100015611070 [0,0,0,0,0,0|4,0,0]=4 26 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 2230a_100016993742_100015291786 [0,0,0,0,0,0|4,0,0]=4 27 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 34a_100016993742_100015291786 [0,0,0,0,0,0|4,0,0]=4 28 B16R2.2832 O=C1CC(CN1)COCc2ccccc2 34a_100016041077_100015291786 [0,0,0,0,0,0|4,0,0]=4 29 B16R2.2832 O=C1CC(CN1)NCCc2ccccc2 2230a_100000697751_100000765856 [0,0,0,0,0,0|4,0,0]=4 30 B16R2.2832 O=C1CC(CN1)OCCc2ccccc2 34a_100000690082_100000765856 [0,0,0,0,0,0|4,0,0]=4 31 B16R2.2832 O=C1CCC(C1)OCCc2ccccc2 34a_100012614533_100000765856 [0,0,0,0,0,0|4,0,0]=4 32 B16R2.2832 O=C1CCC(N1)COCc2ccccc2 34a_100000737831_100015291786 [0,0,0,0,0,0|3,0,1]=4 33 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 207a_100015423886_100015611070 [0,0,0,0,0,0|3,0,1]=4 34 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 2230a_100015423886_100015291786 [0,0,0,0,0,0|3,0,1]=4 35 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 270004a_100015423886_100015611070 [0,0,0,0,0,0|3,0,1]=4 36 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 34a_100015423886_100015291786 [0,0,0,0,0,0|3,0,1]=4 37 B16R2.2832 O=C1CC[C@H](N1)CNCc2ccccc2 2230a_100015324214_100015189358 [0,0,0,0,0,0|3,0,1]=4 38 B16R2.2832 O=C1CC[C@H](N1)COCc2ccccc2 7a_100000210790_100015189358 [0,0,0,0,0,0|3,0,1]=4 39 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100000211182_100015189358 [0,0,0,0,0,0|3,0,1]=4 40 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100015189358_100015291786 [0,0,0,0,0,0|3,0,1]=4 41 B16R2.2832 O=C1CN(CN1)CCCc2ccccc2 2230a_200000708111_100000211621 [0,0,0,0,0,0|4,0,0]=4 42 B16R2.2832 O=C1NCC(O1)CNCc2ccccc2 2230a_100015324214_100000181169 [0,0,0,0,0,0|4,0,0]=4 43 B16R2.2832 O=C1NCC(O1)CNCc2ccccc2 34a_100015324214_100000181169 [0,0,0,0,0,0|4,0,0]=4 44 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 34a_100000210790_100000181169 [0,0,0,0,0,0|4,0,0]=4 45 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 34a_100011315639_100015291786 [0,0,0,0,0,0|4,0,0]=4 46 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 7a_100000210790_100000181169 [0,0,0,0,0,0|4,0,0]=4 47 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000181169_100015291786 [0,0,0,0,0,0|4,0,0]=4 48 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000211182_100000181169 [0,0,0,0,0,0|4,0,0]=4 49 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 2230a_100015324214_100015307671 [0,0,0,0,0,0|2,0,1]=3 50 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 34a_100015324214_100015307671 [0,0,0,0,0,0|2,0,1]=3 51 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 34a_100000210790_100015307671 [0,0,0,0,0,0|2,0,1]=3 52 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 7a_100000210790_100015307671 [0,0,0,0,0,0|2,0,1]=3 53 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100000211182_100015307671 [0,0,0,0,0,0|2,0,1]=3 54 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100015307671_100015291786 [0,0,0,0,0,0|2,0,1]=3 55 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100000721315_100015307671 [0,0,0,0,0,0|3,0,1]=4 56 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100015307671_100000721315 [0,0,0,0,0,0|3,0,1]=4 57 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100000741622_100015307671 [0,0,0,0,0,0|3,0,1]=4 58 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100015307671_100000741622 [0,0,0,0,0,0|3,0,1]=4 59 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015193705_100015307671 [0,0,0,0,0,0|3,0,1]=4 60 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015307671_100015193705 [0,0,0,0,0,0|3,0,1]=4 61 B16R2.2832 O=C1OCC(O1)CNCc2ccccc2 34a_100015324214_100000073702 [0,0,0,0,0,0|3,0,0]=3 62 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 34a_100000210790_100000073702 [0,0,0,0,0,0|3,0,0]=3 63 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000073702_100015291786 [0,0,0,0,0,0|3,0,0]=3 64 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000211182_100000073702 [0,0,0,0,0,0|3,0,0]=3 65 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000073702_100000721315 [0,0,0,0,0,0|4,0,0]=4 66 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000721315_100000073702 [0,0,0,0,0,0|4,0,0]=4 67 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000073702_100000741622 [0,0,0,0,0,0|4,0,0]=4 68 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000741622_100000073702 [0,0,0,0,0,0|4,0,0]=4 69 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100000073702_100015193705 [0,0,0,0,0,0|4,0,0]=4 70 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100015193705_100000073702 [0,0,0,0,0,0|4,0,0]=4 71 B16R2.2832 O=C1OCC(O1)NCCc2ccccc2 34a_100000106460_100000032252 [0,0,0,0,0,0|3,0,0]=3 72 B16R2.2832 O=C1OCC(O1)OCCc2ccccc2 34a_100000210268_100000032252 [0,0,0,0,0,0|3,0,0]=3 73 B16R2.2832 O=C1OCC(O1)OCCc2ccccn2 34a_100000210271_100000032252 [0,0,0,0,0,0|4,0,0]=4 74 B16R2.2832 O=C1OCC(O1)OCCc2cccnc2 34a_100011217484_100000032252 [0,0,0,0,0,0|4,0,0]=4 75 B16R2.2832 O=C1OCC(O1)OCCc2ccncc2 34a_100011216225_100000032252 [0,0,0,0,0,0|4,0,0]=4 76 B16R2.2832 O=C1OCC(O1)SCCc2ccccc2 62a_100000765856_100000032252 [0,0,0,0,0,0|3,0,0]=3 77 B16R2.2832 O=C1OCC(O1)SCCc2ccccn2 62a_100015183660_100000032252 [0,0,0,0,0,0|4,0,0]=4 78 B16R2.2832 O=C1OCC(O1)SCCc2cccnc2 62a_200011713674_100000032252 [0,0,0,0,0,0|4,0,0]=4 79 B16R2.2832 O=C1OCC(O1)SCCc2ccncc2 62a_100000723409_100000032252 [0,0,0,0,0,0|4,0,0]=4 80 B16R2.2832 O=C1OCC(O1)SCSc2ccccc2 62a_100011218342_100000032252 [0,0,0,0,0,0|4,0,0]=4 81 B16R2.2832 O=S1OCC(O1)CCOc2ccccc2 7a_100000210340_100009840081 [0,0,0,0,0,0|4,0,0]=4 82 B16R2.2832 O=S1OCC(O1)CCSc2ccccc2 62a_100000719477_100009840081 [0,0,0,0,0,0|4,0,0]=4 83 B16R2.2832 Oc1nc(no1)CCCc2ccccc2 270196a_200000738867_100015183105 [0,0,0,0,0,0|2,0,1]=3 84 B16R2.2832 Oc1nc(no1)COCc2ccccc2 270196a_100000747618_100015183105 [0,0,0,0,0,0|3,0,1]=4 85 B15R2.2196 C1=CCC(C1)COCc2ccccc2 34a_100000688395_100015291786 [1,0,0,0,0,0|3,0,0]=4 86 B15R2.2196 C1=CCC(C1)NCCc2ccccc2 2230a_100015188752_100000765856 [1,0,0,0,0,0|3,0,0]=4 87 B15R2.2196 C1=CCN(C1)CCCc2ccccc2 269982a_100015195280_100000211621 [1,0,0,0,0,0|3,0,0]=4 88 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 2230a_100000106460_100000731011 [1,0,0,0,0,0|2,0,1]=4 89 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 270004a_100000106460_100000752484 [1,0,0,0,0,0|2,0,1]=4 90 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 34a_100000106460_100000690089 [1,0,0,0,0,0|2,0,1]=4 91 B15R2.2196 c1ccc(cc1)CCN[C@@H]2CCOC2 2230a_200015188469_100000765856 [1,0,0,0,0,0|2,0,1]=4 92 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 2230a_100015188467_100000765856 [1,0,0,0,0,0|2,0,1]=4 93 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 34a_100015188467_100000765856 [1,0,0,0,0,0|2,0,1]=4 94 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 34a_100000210268_100000690089 [1,0,0,0,0,0|2,0,1]=4 95 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 7a_100000210268_100000731011 [1,0,0,0,0,0|2,0,1]=4 96 B15R2.2196 c1ccc(cc1)CCO[C@H]2CCOC2 34a_100000717292_100000765856 [1,0,0,0,0,0|2,0,1]=4 97 B15R2.2196 c1ccc(cc1)CCSC2CCOC2 62a_100000765856_100000690089 [1,0,0,0,0,0|2,0,1]=4 98 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 207a_100000737293_100015611070 [1,0,0,0,0,0|2,0,1]=4 99 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 2230a_100000737293_100015291786 [1,0,0,0,0,0|2,0,1]=4 100 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 2230a_100015324214_100000702531 [1,0,0,0,0,0|2,0,1]=4 101 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 270004a_100000737293_100015611070 [1,0,0,0,0,0|2,0,1]=4 102 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 34a_100000737293_100015291786 [1,0,0,0,0,0|2,0,1]=4 103 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 34a_100015324214_100011261433 [1,0,0,0,0,0|2,0,1]=4 104 B15R2.2196 c1ccc(cc1)CNCc2cocn2 207a_100015188801_100015611070 [1,0,0,0,0,0|1,0,2]=4 105 B15R2.2196 c1ccc(cc1)CNCc2cocn2 270004a_100015188801_100015611070 [1,0,0,0,0,0|1,0,2]=4 106 B15R2.2196 c1ccc(cc1)CNCc2cocn2 270004a_100015324214_100000050382 [1,0,0,0,0,0|1,0,2]=4 107 B15R2.2196 c1ccc(cc1)CNCc2ncon2 34a_100015324214_100000233494 [1,0,0,0,0,0|2,0,1]=4 108 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000210790_100011261433 [1,0,0,0,0,0|2,0,1]=4 109 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000740260_100015291786 [1,0,0,0,0,0|2,0,1]=4 110 B15R2.2196 c1ccc(cc1)COCC2CCOC2 7a_100000210790_100000702531 [1,0,0,0,0,0|2,0,1]=4 111 B15R2.2196 c1ccc(cc1)COCC2COCO2 34a_100011216627_100015291786 [1,0,0,0,0,0|2,0,1]=4 112 B15R2.2196 c1ccc(cc1)COCc2ncon2 34a_100000210790_100000233494 [1,0,0,0,0,0|2,0,1]=4 113 B15R2.2196 c1ccc(cc1)CSCC2CCOC2 62a_100000211182_100000702531 [1,0,0,0,0,0|2,0,1]=4 114 B15R2.2196 c1ccc(cc1)CSCC2CCOC2 62a_100000702531_100015291786 [1,0,0,0,0,0|2,0,1]=4 115 B15R2.2196 c1ccc(cc1)CSCc2ncon2 62a_100000211182_100000233494 [1,0,0,0,0,0|2,0,1]=4 116 B15R2.2196 c1ccc(cc1)CSCc2ncon2 62a_100000233494_100015291786 [1,0,0,0,0,0|2,0,1]=4 117 B17R2.212 Cc1ccc(cc1)CCNC2COC(=O)O2 34a_100000705350_100000032252 [0,1,0,0,0,0|3,0,0]=4 118 B17R2.212 Cc1ccc(cc1)CCOC2COC(=O)O2 34a_100000756670_100000032252 [0,1,0,0,0,0|3,0,0]=4 119 B17R2.212 Cc1ccc(cc1)CCSC2COC(=O)O2 62a_100011713686_100000032252 [0,1,0,0,0,0|3,0,0]=4 120 B17R2.212 Cc1ccc(cc1)CNCC2COC(=O)O2 34a_100000174908_100000073702 [0,1,0,0,0,0|3,0,0]=4 121 B17R2.212 Cc1ccc(cc1)CNC[C@H]2COC(=O)N2 2230a_100000174908_100015307671 [0,1,0,0,0,0|2,0,1]=4 122 B17R2.212 Cc1ccc(cc1)CNC[C@H]2COC(=O)N2 34a_100000174908_100015307671 [0,1,0,0,0,0|2,0,1]=4 123 B17R2.212 Cc1ccc(cc1)COCC2COC(=O)O2 34a_100011215236_100000073702 [0,1,0,0,0,0|3,0,0]=4 124 B17R2.212 Cc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215236_100015307671 [0,1,0,0,0,0|2,0,1]=4 125 B17R2.212 Cc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100011215236_100015307671 [0,1,0,0,0,0|2,0,1]=4 126 B17R2.212 Cc1ccc(cc1)CSCC2COC(=O)O2 62a_100000073702_100000210814 [0,1,0,0,0,0|3,0,0]=4 127 B17R2.212 Cc1ccc(cc1)CSCC2COC(=O)O2 62a_100000210814_100000073702 [0,1,0,0,0,0|3,0,0]=4 128 B17R2.212 Cc1ccc(cc1)CSC[C@H]2COC(=O)N2 62a_100000210814_100015307671 [0,1,0,0,0,0|2,0,1]=4 129 B17R2.212 Cc1ccc(cc1)CSC[C@H]2COC(=O)N2 62a_100015307671_100000210814 [0,1,0,0,0,0|2,0,1]=4 130 B17R2.212 Nc1ccc(cc1)CCOC2COC(=O)O2 34a_100011204434_100000032252 [0,1,0,0,0,0|3,0,0]=4 131 B17R2.212 Nc1ccc(cc1)COCC2COC(=O)O2 34a_100011215238_100000073702 [0,1,0,0,0,0|3,0,0]=4 132 B17R2.212 Nc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215238_100015307671 [0,1,0,0,0,0|2,0,1]=4 133 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Br 2230a_100000174875_100015307671 [0,1,0,0,0,0|2,0,1]=4 134 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Br 34a_100000174875_100015307671 [0,1,0,0,0,0|2,0,1]=4 135 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Cl 2230a_100000174871_100015307671 [0,1,0,0,0,0|2,0,1]=4 136 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Cl 34a_100000174871_100015307671 [0,1,0,0,0,0|2,0,1]=4 137 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)F 2230a_100000174882_100015307671 [0,1,0,0,0,0|2,0,1]=4 138 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)F 34a_100000174882_100015307671 [0,1,0,0,0,0|2,0,1]=4 139 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)I 2230a_100016989417_100015307671 [0,1,0,0,0,0|2,0,1]=4 140 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)I 34a_100016989417_100015307671 [0,1,0,0,0,0|2,0,1]=4 141 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)O 34a_100000185549_100015307671 [0,1,0,0,0,0|2,0,1]=4 142 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Br 34a_100000695286_100015307671 [0,1,0,0,0,0|2,0,1]=4 143 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Cl 34a_100000211118_100015307671 [0,1,0,0,0,0|2,0,1]=4 144 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Cl 7a_100000211118_100015307671 [0,1,0,0,0,0|2,0,1]=4 145 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)F 34a_100000210977_100015307671 [0,1,0,0,0,0|2,0,1]=4 146 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)F 7a_100000210977_100015307671 [0,1,0,0,0,0|2,0,1]=4 147 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)I 34a_100000690907_100015307671 [0,1,0,0,0,0|2,0,1]=4 148 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)I 7a_100000690907_100015307671 [0,1,0,0,0,0|2,0,1]=4 149 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Br 62a_100000189115_100015307671 [0,1,0,0,0,0|2,0,1]=4 150 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Br 62a_100015307671_100000189115 [0,1,0,0,0,0|2,0,1]=4 151 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Cl 62a_100000187161_100015307671 [0,1,0,0,0,0|2,0,1]=4 152 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Cl 62a_100015307671_100000187161 [0,1,0,0,0,0|2,0,1]=4 153 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)F 62a_100000198546_100015307671 [0,1,0,0,0,0|2,0,1]=4 154 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)F 62a_100015307671_100000187164 [0,1,0,0,0,0|2,0,1]=4 155 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)I 62a_100000189116_100015307671 [0,1,0,0,0,0|2,0,1]=4 156 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)I 62a_100015307671_100000189116 [0,1,0,0,0,0|2,0,1]=4 157 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)Br 34a_100000174875_100000073702 [0,1,0,0,0,0|3,0,0]=4 158 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)Cl 34a_100000174871_100000073702 [0,1,0,0,0,0|3,0,0]=4 159 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)F 34a_100000174882_100000073702 [0,1,0,0,0,0|3,0,0]=4 160 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)I 34a_100016989417_100000073702 [0,1,0,0,0,0|3,0,0]=4 161 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)O 34a_100000185549_100000073702 [0,1,0,0,0,0|3,0,0]=4 162 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)Br 34a_100000695286_100000073702 [0,1,0,0,0,0|3,0,0]=4 163 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)Cl 34a_100000211118_100000073702 [0,1,0,0,0,0|3,0,0]=4 164 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)F 34a_100000210977_100000073702 [0,1,0,0,0,0|3,0,0]=4 165 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)I 34a_100000690907_100000073702 [0,1,0,0,0,0|3,0,0]=4 166 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Br 62a_100000073702_100000189115 [0,1,0,0,0,0|3,0,0]=4 167 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Br 62a_100000189115_100000073702 [0,1,0,0,0,0|3,0,0]=4 168 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Cl 62a_100000073702_100000187161 [0,1,0,0,0,0|3,0,0]=4 169 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Cl 62a_100000187161_100000073702 [0,1,0,0,0,0|3,0,0]=4 170 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)F 62a_100000073702_100000187164 [0,1,0,0,0,0|3,0,0]=4 171 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)F 62a_100000198546_100000073702 [0,1,0,0,0,0|3,0,0]=4 172 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)I 62a_100000073702_100000189116 [0,1,0,0,0,0|3,0,0]=4 173 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)I 62a_100000189116_100000073702 [0,1,0,0,0,0|3,0,0]=4 174 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)Br 34a_100000755846_100000032252 [0,1,0,0,0,0|3,0,0]=4 175 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)Cl 34a_100000185265_100000032252 [0,1,0,0,0,0|3,0,0]=4 176 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)F 34a_100000199005_100000032252 [0,1,0,0,0,0|3,0,0]=4 177 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)O 34a_100000743037_100000032252 [0,1,0,0,0,0|3,0,0]=4 178 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)Br 34a_100000766406_100000032252 [0,1,0,0,0,0|3,0,0]=4 179 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)Cl 34a_100011219627_100000032252 [0,1,0,0,0,0|3,0,0]=4 180 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)F 34a_100000754732_100000032252 [0,1,0,0,0,0|3,0,0]=4 181 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)I 34a_100012291149_100000032252 [0,1,0,0,0,0|3,0,0]=4 182 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)Br 62a_100011740612_100000032252 [0,1,0,0,0,0|3,0,0]=4 183 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)Cl 62a_100011713675_100000032252 [0,1,0,0,0,0|3,0,0]=4 184 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)F 62a_100011217392_100000032252 [0,1,0,0,0,0|3,0,0]=4 185 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)O 62a_100009816426_100000032252 [0,1,0,0,0,0|3,0,0]=4 186 B17R2.2523 CCc1nc(no1)CCCc2ccccc2 270196a_200000738867_100000210414 [0,1,0,0,0,0|2,0,1]=4 187 B17R2.2523 OCc1nc(no1)CCCc2ccccc2 270196a_200000738867_100000210174 [0,1,0,0,0,0|2,0,1]=4 188 B17R2.3229 CC(Cc1ccccc1)OC2COC(=O)O2 34a_100000748627_100000032252 [0,1,0,0,0,0|3,0,0]=4 189 B17R2.3229 CC(Cc1ccccc1)SC2COC(=O)O2 62a_200011218536_100000032252 [0,1,0,0,0,0|3,0,0]=4 190 B17R2.3229 CN(Cc1ccccc1)CC2COC(=O)O2 269982a_100000186898_100000073702 [0,1,0,0,0,0|3,0,0]=4 191 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 2230a_100000186898_100015307671 [0,1,0,0,0,0|2,0,1]=4 192 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 269982a_100000186898_100015307671 [0,1,0,0,0,0|2,0,1]=4 193 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccccc2 1458a_100000002200_100000765856 [0,1,0,0,0,0|0,1,1]=3 194 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccccn2 1458a_100000002200_100015183660 [0,1,0,0,0,0|1,1,1]=4 195 B17R2.3231 NC1=NC(CS1)C(=O)CCc2cccnc2 1458a_100000002200_200011713674 [0,1,0,0,0,0|1,1,1]=4 196 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccncc2 1458a_100000002200_100000723409 [0,1,0,0,0,0|1,1,1]=4 197 B17R2.3231 NC1=NC(CS1)C(=O)NCc2ccccc2 240690a_100015324214_100000002200 [0,1,0,0,0,0|1,1,1]=4 198 B17R2.3241 CC(CNC1COC(=O)O1)c2ccccc2 34a_100000701038_100000032252 [0,1,0,0,0,0|3,0,0]=4 199 B17R2.3241 CC(COC1COC(=O)O1)c2ccccc2 34a_100011215166_100000032252 [0,1,0,0,0,0|3,0,0]=4 200 B17R2.3241 CC(CSC1COC(=O)O1)c2ccccc2 62a_100000756946_100000032252 [0,1,0,0,0,0|3,0,0]=4 201 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000230085 [0,1,0,0,0,0|3,0,0]=4 202 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000230085_100000073702 [0,1,0,0,0,0|3,0,0]=4 203 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100000230085_100015307671 [0,1,0,0,0,0|2,0,1]=4 204 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000230085 [0,1,0,0,0,0|2,0,1]=4 205 B17R2.3241 C[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000751104_100015307671 [0,1,0,0,0,0|2,0,1]=4 206 B17R2.3241 C[C@@H](OCC1COC(=O)O1)c2ccccc2 34a_100000761318_100000073702 [0,1,0,0,0,0|3,0,0]=4 207 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000761318_100015307671 [0,1,0,0,0,0|2,0,1]=4 208 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000761318_100015307671 [0,1,0,0,0,0|2,0,1]=4 209 B17R2.3241 N[C@H](COC1COC(=O)O1)c2ccccc2 34a_100000751927_100000032252 [0,1,0,0,0,0|3,0,0]=4 210 B17R2.3241 O=C1OCC(O1)SCC(O)c2ccccc2 62a_100000185958_100000032252 [0,1,0,0,0,0|3,0,0]=4 211 B17R2.3241 O=C1OCC(O1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000032252 [0,1,0,0,0,0|3,0,0]=4 212 B17R2.5296 Cc1cccc(c1)CCNC2COC(=O)O2 34a_100000749837_100000032252 [0,1,0,0,0,0|3,0,0]=4 213 B17R2.5296 Cc1cccc(c1)CCOC2COC(=O)O2 34a_100011217157_100000032252 [0,1,0,0,0,0|3,0,0]=4 214 B17R2.5296 Cc1cccc(c1)CCSC2COC(=O)O2 62a_100011713685_100000032252 [0,1,0,0,0,0|3,0,0]=4 215 B17R2.5296 Cc1cccc(c1)CNCC2COC(=O)O2 34a_100000185548_100000073702 [0,1,0,0,0,0|3,0,0]=4 216 B17R2.5296 Cc1cccc(c1)CNC[C@H]2COC(=O)N2 2230a_100000185548_100015307671 [0,1,0,0,0,0|2,0,1]=4 217 B17R2.5296 Cc1cccc(c1)CNC[C@H]2COC(=O)N2 34a_100000185548_100015307671 [0,1,0,0,0,0|2,0,1]=4 218 B17R2.5296 Cc1cccc(c1)COCC2COC(=O)O2 34a_100011217746_100000073702 [0,1,0,0,0,0|3,0,0]=4 219 B17R2.5296 Cc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100011217746_100015307671 [0,1,0,0,0,0|2,0,1]=4 220 B17R2.5296 Cc1cccc(c1)COC[C@H]2COC(=O)N2 7a_100011217746_100015307671 [0,1,0,0,0,0|2,0,1]=4 221 B17R2.5296 Cc1cccc(c1)CSCC2COC(=O)O2 62a_100000073702_100000211840 [0,1,0,0,0,0|3,0,0]=4 222 B17R2.5296 Cc1cccc(c1)CSCC2COC(=O)O2 62a_100000211840_100000073702 [0,1,0,0,0,0|3,0,0]=4 223 B17R2.5296 Cc1cccc(c1)CSC[C@H]2COC(=O)N2 62a_100000211840_100015307671 [0,1,0,0,0,0|2,0,1]=4 224 B17R2.5296 Cc1cccc(c1)CSC[C@H]2COC(=O)N2 62a_100015307671_100000211840 [0,1,0,0,0,0|2,0,1]=4 225 B17R2.5296 Nc1cccc(c1)CCOC2COC(=O)O2 34a_100011996697_100000032252 [0,1,0,0,0,0|3,0,0]=4 226 B17R2.5296 Nc1cccc(c1)COCC2COC(=O)O2 34a_100000211919_100000073702 [0,1,0,0,0,0|3,0,0]=4 227 B17R2.5296 Nc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100000211919_100015307671 [0,1,0,0,0,0|2,0,1]=4 228 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Br 2230a_100000174977_100015307671 [0,1,0,0,0,0|2,0,1]=4 229 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Br 34a_100000174977_100015307671 [0,1,0,0,0,0|2,0,1]=4 230 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Cl 2230a_100000174878_100015307671 [0,1,0,0,0,0|2,0,1]=4 231 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Cl 34a_100000174878_100015307671 [0,1,0,0,0,0|2,0,1]=4 232 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)F 2230a_100000174948_100015307671 [0,1,0,0,0,0|2,0,1]=4 233 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)F 34a_100000174948_100015307671 [0,1,0,0,0,0|2,0,1]=4 234 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)I 2230a_100000106179_100015307671 [0,1,0,0,0,0|2,0,1]=4 235 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)I 34a_100000106179_100015307671 [0,1,0,0,0,0|2,0,1]=4 236 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)O 2230a_100000743036_100015307671 [0,1,0,0,0,0|2,0,1]=4 237 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)O 34a_100000743036_100015307671 [0,1,0,0,0,0|2,0,1]=4 238 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Br 34a_100000687537_100015307671 [0,1,0,0,0,0|2,0,1]=4 239 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Br 7a_100000687537_100015307671 [0,1,0,0,0,0|2,0,1]=4 240 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Cl 34a_100000241301_100015307671 [0,1,0,0,0,0|2,0,1]=4 241 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Cl 7a_100000241301_100015307671 [0,1,0,0,0,0|2,0,1]=4 242 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)F 34a_100000210976_100015307671 [0,1,0,0,0,0|2,0,1]=4 243 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)F 7a_100000210976_100015307671 [0,1,0,0,0,0|2,0,1]=4 244 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)I 34a_100011215336_100015307671 [0,1,0,0,0,0|2,0,1]=4 245 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)I 7a_100011215336_100015307671 [0,1,0,0,0,0|2,0,1]=4 246 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Br 62a_100000211773_100015307671 [0,1,0,0,0,0|2,0,1]=4 247 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Br 62a_100015307671_100000211773 [0,1,0,0,0,0|2,0,1]=4 248 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Cl 62a_100000187163_100015307671 [0,1,0,0,0,0|2,0,1]=4 249 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Cl 62a_100015307671_100000187163 [0,1,0,0,0,0|2,0,1]=4 250 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)F 62a_100000230114_100015307671 [0,1,0,0,0,0|2,0,1]=4 251 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)F 62a_100015307671_100000230114 [0,1,0,0,0,0|2,0,1]=4 252 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)I 62a_100011218688_100015307671 [0,1,0,0,0,0|2,0,1]=4 253 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)I 62a_100015307671_100011218688 [0,1,0,0,0,0|2,0,1]=4 254 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)O 62a_100011660834_100015307671 [0,1,0,0,0,0|2,0,1]=4 255 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)O 62a_100015307671_100011660834 [0,1,0,0,0,0|2,0,1]=4 256 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)Br 34a_100000174977_100000073702 [0,1,0,0,0,0|3,0,0]=4 257 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)Cl 34a_100000174878_100000073702 [0,1,0,0,0,0|3,0,0]=4 258 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)F 34a_100000174948_100000073702 [0,1,0,0,0,0|3,0,0]=4 259 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)I 34a_100000106179_100000073702 [0,1,0,0,0,0|3,0,0]=4 260 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)O 34a_100000743036_100000073702 [0,1,0,0,0,0|3,0,0]=4 261 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)Br 34a_100000687537_100000073702 [0,1,0,0,0,0|3,0,0]=4 262 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)Cl 34a_100000241301_100000073702 [0,1,0,0,0,0|3,0,0]=4 263 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)F 34a_100000210976_100000073702 [0,1,0,0,0,0|3,0,0]=4 264 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)I 34a_100011215336_100000073702 [0,1,0,0,0,0|3,0,0]=4 265 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Br 62a_100000073702_100000211773 [0,1,0,0,0,0|3,0,0]=4 266 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Br 62a_100000211773_100000073702 [0,1,0,0,0,0|3,0,0]=4 267 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Cl 62a_100000073702_100000187163 [0,1,0,0,0,0|3,0,0]=4 268 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Cl 62a_100000187163_100000073702 [0,1,0,0,0,0|3,0,0]=4 269 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)F 62a_100000073702_100000230114 [0,1,0,0,0,0|3,0,0]=4 270 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)F 62a_100000230114_100000073702 [0,1,0,0,0,0|3,0,0]=4 271 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)I 62a_100000073702_100011218688 [0,1,0,0,0,0|3,0,0]=4 272 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)I 62a_100011218688_100000073702 [0,1,0,0,0,0|3,0,0]=4 273 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)O 62a_100000073702_100011660834 [0,1,0,0,0,0|3,0,0]=4 274 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)O 62a_100011660834_100000073702 [0,1,0,0,0,0|3,0,0]=4 275 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)Br 34a_100011207229_100000032252 [0,1,0,0,0,0|3,0,0]=4 276 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)Cl 34a_100000185263_100000032252 [0,1,0,0,0,0|3,0,0]=4 277 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)F 34a_100000205154_100000032252 [0,1,0,0,0,0|3,0,0]=4 278 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)O 34a_100000747277_100000032252 [0,1,0,0,0,0|3,0,0]=4 279 B17R2.5296 O=C1OCC(O1)OCCc2cccc(c2)Br 34a_100011217444_100000032252 [0,1,0,0,0,0|3,0,0]=4 280 B17R2.5296 O=C1OCC(O1)OCCc2cccc(c2)Cl 34a_100000754733_100000032252 [0,1,0,0,0,0|3,0,0]=4 281 B17R2.5296 O=C1OCC(O1)OCCc2cccc(c2)F 34a_100000763591_100000032252 [0,1,0,0,0,0|3,0,0]=4 282 B17R2.5296 O=C1OCC(O1)SCCc2cccc(c2)Br 62a_100011740638_100000032252 [0,1,0,0,0,0|3,0,0]=4 283 B17R2.5296 O=C1OCC(O1)SCCc2cccc(c2)Cl 62a_100011713710_100000032252 [0,1,0,0,0,0|3,0,0]=4 284 B17R2.5296 O=C1OCC(O1)SCCc2cccc(c2)F 62a_100011217235_100000032252 [0,1,0,0,0,0|3,0,0]=4 285 B17R2.18638 Cc1ccccc1CCNC2COC(=O)O2 34a_100000685071_100000032252 [0,1,0,0,0,0|3,0,0]=4 286 B17R2.18638 Cc1ccccc1CCOC2COC(=O)O2 34a_100011220023_100000032252 [0,1,0,0,0,0|3,0,0]=4 287 B17R2.18638 Cc1ccccc1CCSC2COC(=O)O2 62a_100011713688_100000032252 [0,1,0,0,0,0|3,0,0]=4 288 B17R2.18638 Cc1ccccc1CNCC2COC(=O)O2 34a_100000174972_100000073702 [0,1,0,0,0,0|3,0,0]=4 289 B17R2.18638 Cc1ccccc1CNC[C@H]2COC(=O)N2 34a_100000174972_100015307671 [0,1,0,0,0,0|2,0,1]=4 290 B17R2.18638 Cc1ccccc1COCC2COC(=O)O2 34a_100000698903_100000073702 [0,1,0,0,0,0|3,0,0]=4 291 B17R2.18638 Cc1ccccc1COC[C@H]2COC(=O)N2 34a_100000698903_100015307671 [0,1,0,0,0,0|2,0,1]=4 292 B17R2.18638 Cc1ccccc1COC[C@H]2COC(=O)N2 7a_100000698903_100015307671 [0,1,0,0,0,0|2,0,1]=4 293 B17R2.18638 Cc1ccccc1CSCC2COC(=O)O2 62a_100000073702_100000211839 [0,1,0,0,0,0|3,0,0]=4 294 B17R2.18638 Cc1ccccc1CSCC2COC(=O)O2 62a_100000211839_100000073702 [0,1,0,0,0,0|3,0,0]=4 295 B17R2.18638 Cc1ccccc1CSC[C@H]2COC(=O)N2 62a_100000211839_100015307671 [0,1,0,0,0,0|2,0,1]=4 296 B17R2.18638 Cc1ccccc1CSC[C@H]2COC(=O)N2 62a_100015307671_100000211839 [0,1,0,0,0,0|2,0,1]=4 297 B17R2.18638 Nc1ccccc1CCOC2COC(=O)O2 34a_100011215289_100000032252 [0,1,0,0,0,0|3,0,0]=4 298 B17R2.18638 Nc1ccccc1COCC2COC(=O)O2 34a_100000212039_100000073702 [0,1,0,0,0,0|3,0,0]=4 299 B17R2.18638 Nc1ccccc1COC[C@H]2COC(=O)N2 34a_100000212039_100015307671 [0,1,0,0,0,0|2,0,1]=4 300 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Br 2230a_100000689332_100015307671 [0,1,0,0,0,0|2,0,1]=4 301 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Br 34a_100000689332_100015307671 [0,1,0,0,0,0|2,0,1]=4 302 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Cl 2230a_100000174879_100015307671 [0,1,0,0,0,0|2,0,1]=4 303 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Cl 34a_100000174879_100015307671 [0,1,0,0,0,0|2,0,1]=4 304 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2F 34a_100000174869_100015307671 [0,1,0,0,0,0|2,0,1]=4 305 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2O 34a_100000185550_100015307671 [0,1,0,0,0,0|2,0,1]=4 306 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Br 34a_100000756307_100015307671 [0,1,0,0,0,0|2,0,1]=4 307 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Br 7a_100000756307_100015307671 [0,1,0,0,0,0|2,0,1]=4 308 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Cl 34a_100000210847_100015307671 [0,1,0,0,0,0|2,0,1]=4 309 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Cl 7a_100000210847_100015307671 [0,1,0,0,0,0|2,0,1]=4 310 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2F 34a_100000211962_100015307671 [0,1,0,0,0,0|2,0,1]=4 311 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2F 7a_100000211962_100015307671 [0,1,0,0,0,0|2,0,1]=4 312 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2I 34a_100000187465_100015307671 [0,1,0,0,0,0|2,0,1]=4 313 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2I 7a_100000187465_100015307671 [0,1,0,0,0,0|2,0,1]=4 314 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Br 62a_100000184730_100015307671 [0,1,0,0,0,0|2,0,1]=4 315 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Br 62a_100015307671_100000184730 [0,1,0,0,0,0|2,0,1]=4 316 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Cl 62a_100000187162_100015307671 [0,1,0,0,0,0|2,0,1]=4 317 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Cl 62a_100015307671_100000187162 [0,1,0,0,0,0|2,0,1]=4 318 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2F 62a_100000211605_100015307671 [0,1,0,0,0,0|2,0,1]=4 319 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2F 62a_100015307671_100000211605 [0,1,0,0,0,0|2,0,1]=4 320 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2I 62a_100011216222_100015307671 [0,1,0,0,0,0|2,0,1]=4 321 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2I 62a_100015307671_100011216222 [0,1,0,0,0,0|2,0,1]=4 322 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2Br 34a_100000689332_100000073702 [0,1,0,0,0,0|3,0,0]=4 323 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2Cl 34a_100000174879_100000073702 [0,1,0,0,0,0|3,0,0]=4 324 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2F 34a_100000174869_100000073702 [0,1,0,0,0,0|3,0,0]=4 325 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2O 34a_100000185550_100000073702 [0,1,0,0,0,0|3,0,0]=4 326 B17R2.18638 O=C1OCC(O1)COCc2ccccc2Br 34a_100000756307_100000073702 [0,1,0,0,0,0|3,0,0]=4 327 B17R2.18638 O=C1OCC(O1)COCc2ccccc2Cl 34a_100000210847_100000073702 [0,1,0,0,0,0|3,0,0]=4 328 B17R2.18638 O=C1OCC(O1)COCc2ccccc2F 34a_100000211962_100000073702 [0,1,0,0,0,0|3,0,0]=4 329 B17R2.18638 O=C1OCC(O1)COCc2ccccc2I 34a_100000187465_100000073702 [0,1,0,0,0,0|3,0,0]=4 330 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Br 62a_100000073702_100000184730 [0,1,0,0,0,0|3,0,0]=4 331 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Br 62a_100000184730_100000073702 [0,1,0,0,0,0|3,0,0]=4 332 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Cl 62a_100000073702_100000187162 [0,1,0,0,0,0|3,0,0]=4 333 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Cl 62a_100000187162_100000073702 [0,1,0,0,0,0|3,0,0]=4 334 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2F 62a_100000073702_100000211605 [0,1,0,0,0,0|3,0,0]=4 335 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2F 62a_100000211605_100000073702 [0,1,0,0,0,0|3,0,0]=4 336 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2I 62a_100000073702_100011216222 [0,1,0,0,0,0|3,0,0]=4 337 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2I 62a_100011216222_100000073702 [0,1,0,0,0,0|3,0,0]=4 338 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2Br 34a_100000747383_100000032252 [0,1,0,0,0,0|3,0,0]=4 339 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2Cl 34a_100011207228_100000032252 [0,1,0,0,0,0|3,0,0]=4 340 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2F 34a_100000185272_100000032252 [0,1,0,0,0,0|3,0,0]=4 341 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2O 34a_100011207237_100000032252 [0,1,0,0,0,0|3,0,0]=4 342 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2Br 34a_100000731337_100000032252 [0,1,0,0,0,0|3,0,0]=4 343 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2Cl 34a_100011215284_100000032252 [0,1,0,0,0,0|3,0,0]=4 344 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2F 34a_100000753711_100000032252 [0,1,0,0,0,0|3,0,0]=4 345 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2I 34a_100010255290_100000032252 [0,1,0,0,0,0|3,0,0]=4 346 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2Br 62a_100012161201_100000032252 [0,1,0,0,0,0|3,0,0]=4 347 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2Cl 62a_100011713703_100000032252 [0,1,0,0,0,0|3,0,0]=4 348 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2F 62a_100011713696_100000032252 [0,1,0,0,0,0|3,0,0]=4 349 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2O 62a_100000722297_100000032252 [0,1,0,0,0,0|3,0,0]=4 350 B15R1.504 CC(=O)CCCCCCc1ccccc1 1458a_100000036270_200000210301 [0,0,1,0,0,0|3,0,0]=4 351 B15R1.504 CC(=O)CCCCCCc1ccccc1 1458a_100000070787_100011218729 [0,0,1,0,0,0|3,0,0]=4 352 B15R1.504 CC(=O)NCCCCCc1ccccc1 11a_100000750932_100015343762 [0,0,1,0,0,0|3,0,0]=4 353 B15R1.504 CC(=O)NCCCCCc1ccccc1 1626a_100000750932_100015343762 [0,0,1,0,0,0|3,0,0]=4 354 B15R1.504 CC(=O)NCCCCCc1ccccc1 240690a_100000750932_100015343762 [0,0,1,0,0,0|3,0,0]=4 355 B15R1.504 CC(=O)NCCCCCc1ccccc1 527a_100000750932_100103153847 [0,0,1,0,0,0|3,0,0]=4 356 B15R1.504 CC(=O)OCCCCNc1ccccc1 34a_100000106764_100000033659 [0,0,1,0,0,0|3,0,0]=4 357 B15R1.504 CC(=O)OCCCCOc1ccccc1 34a_100000210340_100000033659 [0,0,1,0,0,0|3,0,0]=4 358 B15R1.504 CC(=O)OCCCCOc1ccccc1 7a_100000210340_100000033659 [0,0,1,0,0,0|3,0,0]=4 359 B15R1.504 CC(=O)OCCCCSc1ccccc1 62a_100000033659_100000041952 [0,0,1,0,0,0|3,0,0]=4 360 B15R1.504 CC(=O)OCCCCSc1ccccc1 62a_100000719477_100000033659 [0,0,1,0,0,0|3,0,0]=4 361 B15R1.504 CC(=O)OCCCNCc1ccccc1 34a_100015324214_100000042594 [0,0,1,0,0,0|3,0,0]=4 362 B15R1.504 CC(=O)OCCCOCc1ccccc1 34a_100000210790_100000042594 [0,0,1,0,0,0|3,0,0]=4 363 B15R1.504 CC(=O)OCCCOCc1ccccc1 7a_100000210790_100000042594 [0,0,1,0,0,0|3,0,0]=4 364 B15R1.504 CC(=O)OCCCSCc1ccccc1 62a_100000042594_100015291786 [0,0,1,0,0,0|3,0,0]=4 365 B15R1.504 CC(=O)OCCCSCc1ccccc1 62a_100000211182_100000042594 [0,0,1,0,0,0|3,0,0]=4 366 B15R1.504 CC(=O)OCCNCCc1ccccc1 34a_100000106460_100009814007 [0,0,1,0,0,0|3,0,0]=4 367 B15R1.504 CC(=O)OCCOCCc1ccccc1 34a_100000210268_100009814007 [0,0,1,0,0,0|3,0,0]=4 368 B15R1.504 CC(=O)OCCOCCc1ccccc1 7a_100000210268_100009814007 [0,0,1,0,0,0|3,0,0]=4 369 B15R1.504 CC(=O)OCCSCCc1ccccc1 62a_100000765856_100009814007 [0,0,1,0,0,0|3,0,0]=4 370 B15R1.504 CC(=O)OCCSCCc1ccccc1 62a_100009814007_100011218657 [0,0,1,0,0,0|3,0,0]=4 371 B15R1.504 CC(=O)OCNCCCc1ccccc1 34a_100000211184_100009813279 [0,0,1,0,0,0|3,0,0]=4 372 B15R1.504 CC(=O)OCOCCCc1ccccc1 34a_100000210828_100009813279 [0,0,1,0,0,0|3,0,0]=4 373 B15R1.504 CC(=O)OCSCCCc1ccccc1 62a_100000076356_100000211621 [0,0,1,0,0,0|3,0,0]=4 374 B15R1.504 CC(=O)OCSCCCc1ccccc1 62a_100000211621_100000076356 [0,0,1,0,0,0|3,0,0]=4 375 B15R1.504 CC(=S)OCCCNCc1ccccc1 2230a_100015324214_200135323944 [0,0,1,0,0,0|3,0,0]=4 376 B15R1.504 CC(=S)OCCCNCc1ccccc1 34a_100015324214_200135323944 [0,0,1,0,0,0|3,0,0]=4 377 B15R1.504 CC(=S)OCCCOCc1ccccc1 34a_100000210790_200135323944 [0,0,1,0,0,0|3,0,0]=4 378 B15R1.504 CC(=S)OCCCOCc1ccccc1 7a_100000210790_200135323944 [0,0,1,0,0,0|3,0,0]=4 379 B15R1.504 CC(=S)OCCCSCc1ccccc1 62a_100000211182_200135323944 [0,0,1,0,0,0|3,0,0]=4 380 B15R1.504 CC(=S)OCCCSCc1ccccc1 62a_200135323944_100015291786 [0,0,1,0,0,0|3,0,0]=4 381 B15R1.504 CC(C)OCCCCCc1ccccc1 34a_100000212225_200011217138 [0,0,1,0,0,0|2,0,1]=4 382 B15R1.504 CC(C)OCCCCCc1ccccc1 34a_200011219639_100000210206 [0,0,1,0,0,0|2,0,1]=4 383 B15R1.504 CC(C)OCCCCCc1ccccc1 7a_200011219639_100000210206 [0,0,1,0,0,0|2,0,1]=4 384 B15R1.504 NC(=O)CCCCCNc1ccccc1 34a_100000106764_100009817443 [0,0,1,0,0,0|3,0,0]=4 385 B15R1.504 NC(=O)CCCCCOc1ccccc1 34a_100000210340_100009817443 [0,0,1,0,0,0|3,0,0]=4 386 B15R1.504 NC(=O)CCCCCOc1ccccc1 7a_100000210340_100009817443 [0,0,1,0,0,0|3,0,0]=4 387 B15R1.504 NC(=O)CCCCCSc1ccccc1 62a_100000719477_100009817443 [0,0,1,0,0,0|3,0,0]=4 388 B15R1.504 NC(=O)CCCCCSc1ccccc1 62a_100009817443_100000041952 [0,0,1,0,0,0|3,0,0]=4 389 B15R1.504 NC(=O)CCCCNCc1ccccc1 207a_100000696515_100015611070 [0,0,1,0,0,0|3,0,0]=4 390 B15R1.504 NC(=O)CCCCNCc1ccccc1 270004a_100000696515_100015611070 [0,0,1,0,0,0|3,0,0]=4 391 B15R1.504 NC(=O)CCCCNCc1ccccc1 34a_100000696515_100015291786 [0,0,1,0,0,0|3,0,0]=4 392 B15R1.504 NC(=O)CCCCOCc1ccccc1 34a_100012022536_100015291786 [0,0,1,0,0,0|3,0,0]=4 393 B15R1.504 NC(=O)CCCCOCc1ccccc1 7a_100012022536_100000211182 [0,0,1,0,0,0|3,0,0]=4 394 B15R1.504 NC(=O)CCCNCCc1ccccc1 34a_100000106460_100102525003 [0,0,1,0,0,0|3,0,0]=4 395 B15R1.504 NC(=O)CCCNCCc1ccccc1 34a_100000739312_100000765856 [0,0,1,0,0,0|3,0,0]=4 396 B15R1.504 NC(=O)CCCOCCc1ccccc1 34a_100000210268_100102525003 [0,0,1,0,0,0|3,0,0]=4 397 B15R1.504 NC(=O)CCCOCCc1ccccc1 7a_100000210268_100102525003 [0,0,1,0,0,0|3,0,0]=4 398 B15R1.504 NC(=O)CCCSCCc1ccccc1 62a_100000765856_100102525003 [0,0,1,0,0,0|3,0,0]=4 399 B15R1.504 NC(=O)CCCSCCc1ccccc1 62a_100102525003_100011218657 [0,0,1,0,0,0|3,0,0]=4 400 B15R1.504 NC(=O)CCNCCCc1ccccc1 2230a_100000211184_100000744528 [0,0,1,0,0,0|3,0,0]=4 401 B15R1.504 NC(=O)CCNCCCc1ccccc1 34a_100000211184_100000731001 [0,0,1,0,0,0|3,0,0]=4 402 B15R1.504 NC(=O)CCOCCCc1ccccc1 34a_100000210828_100000731001 [0,0,1,0,0,0|3,0,0]=4 403 B15R1.504 NC(=O)CCOCCCc1ccccc1 34a_100000757172_100000211621 [0,0,1,0,0,0|3,0,0]=4 404 B15R1.504 NC(=O)CCOCCCc1ccccc1 7a_100000210828_100000744528 [0,0,1,0,0,0|3,0,0]=4 405 B15R1.504 NC(=O)CCOCCCc1ccccc1 7a_100000757172_100000211621 [0,0,1,0,0,0|3,0,0]=4 406 B15R1.504 NC(=O)CCSCCCc1ccccc1 62a_100000211621_100000744528 [0,0,1,0,0,0|3,0,0]=4 407 B15R1.504 NC(=O)CCSCCCc1ccccc1 62a_100000744528_100000211621 [0,0,1,0,0,0|3,0,0]=4 408 B15R1.504 NC(=O)CNCCCCc1ccccc1 2230a_100000711301_100000701786 [0,0,1,0,0,0|3,0,0]=4 409 B15R1.504 NC(=O)CNCCCCc1ccccc1 2230a_100015280158_100000747473 [0,0,1,0,0,0|3,0,0]=4 410 B15R1.504 NC(=O)CNCCCCc1ccccc1 34a_100015280158_100000187820 [0,0,1,0,0,0|3,0,0]=4 411 B15R1.504 NC(=O)COCCCCc1ccccc1 34a_100000703073_100000187820 [0,0,1,0,0,0|3,0,0]=4 412 B15R1.504 NC(=O)COCCCCc1ccccc1 7a_100000703073_100000187820 [0,0,1,0,0,0|3,0,0]=4 413 B15R1.504 NC(=O)CSCCCCc1ccccc1 62a_100000701786_100000747473 [0,0,1,0,0,0|3,0,0]=4 414 B15R1.504 NC(=O)CSCCCCc1ccccc1 62a_100000747473_100000701786 [0,0,1,0,0,0|3,0,0]=4 415 B15R1.504 NC(=O)NCCNCCc1ccccc1 2230a_100000106460_200000034859 [0,0,1,0,0,0|3,0,0]=4 416 B15R1.504 NC(=O)NCCNCCc1ccccc1 34a_100020590234_100000765856 [0,0,1,0,0,0|3,0,0]=4 417 B15R1.504 NC(=O)NCCOCCc1ccccc1 34a_100000181757_100000765856 [0,0,1,0,0,0|3,0,0]=4 418 B15R1.504 NC(=O)NCCOCCc1ccccc1 7a_100000210268_200000034859 [0,0,1,0,0,0|3,0,0]=4 419 B15R1.504 NC(=O)NCCSCCc1ccccc1 62a_100000765856_200000034859 [0,0,1,0,0,0|3,0,0]=4 420 B15R1.504 NC(=O)NCCSCCc1ccccc1 62a_200000034859_100011218657 [0,0,1,0,0,0|3,0,0]=4 421 B15R1.504 NC(=O)OCCNCCc1ccccc1 34a_100000106460_200011214921 [0,0,1,0,0,0|2,0,0]=3 422 B15R1.504 NC(=O)OCCOCCc1ccccc1 34a_100000210268_200011214921 [0,0,1,0,0,0|2,0,0]=3 423 B15R1.504 NC(=O)OCCOCCc1ccccc1 7a_100000210268_200011214921 [0,0,1,0,0,0|2,0,0]=3 424 B15R1.504 NC(=O)OCCOCCc1ccccc1 7a_100000766696_100000765856 [0,0,1,0,0,0|2,0,0]=3 425 B15R1.504 NC(=O)OCCOCCc1ccccn1 34a_100000210271_200011214921 [0,0,1,0,0,0|3,0,0]=4 426 B15R1.504 NC(=O)OCCOCCc1ccccn1 7a_100000766696_100015183660 [0,0,1,0,0,0|3,0,0]=4 427 B15R1.504 NC(=O)OCCOCCc1cccnc1 34a_100011217484_200011214921 [0,0,1,0,0,0|3,0,0]=4 428 B15R1.504 NC(=O)OCCOCCc1cccnc1 7a_100000766696_200011713674 [0,0,1,0,0,0|3,0,0]=4 429 B15R1.504 NC(=O)OCCOCCc1ccncc1 34a_100011216225_200011214921 [0,0,1,0,0,0|3,0,0]=4 430 B15R1.504 NC(=O)OCCOCCc1ccncc1 7a_100000766696_100000723409 [0,0,1,0,0,0|3,0,0]=4 431 B15R1.504 NC(=O)OCCSCCc1ccccc1 62a_100000765856_200011214921 [0,0,1,0,0,0|2,0,0]=3 432 B15R1.504 NC(=O)OCCSCCc1ccccc1 62a_200011214921_100011218657 [0,0,1,0,0,0|2,0,0]=3 433 B15R1.504 NC(=O)OCCSCCc1ccccn1 62a_100015183660_200011214921 [0,0,1,0,0,0|3,0,0]=4 434 B15R1.504 NC(=O)OCCSCCc1ccccn1 62a_200011214921_100015183660 [0,0,1,0,0,0|3,0,0]=4 435 B15R1.504 NC(=O)OCCSCCc1cccnc1 62a_200011214921_200011713674 [0,0,1,0,0,0|3,0,0]=4 436 B15R1.504 NC(=O)OCCSCCc1cccnc1 62a_200011713674_200011214921 [0,0,1,0,0,0|3,0,0]=4 437 B15R1.504 NC(=O)OCCSCCc1ccncc1 62a_100000723409_200011214921 [0,0,1,0,0,0|3,0,0]=4 438 B15R1.504 NC(=O)OCCSCCc1ccncc1 62a_200011214921_100000723409 [0,0,1,0,0,0|3,0,0]=4 439 B15R1.504 NC(=O)OCCSCSc1ccccc1 62a_100011218342_200011214921 [0,0,1,0,0,0|3,0,0]=4 440 B15R1.504 NC(=O)OCCSCSc1ccccc1 62a_200011214921_100011218342 [0,0,1,0,0,0|3,0,0]=4 441 B15R1.504 [13CH3]C(=O)CCCCCCc1ccccc1 1458a_100000036270_200025704644 [0,0,1,0,0,0|3,0,0]=4 442 B15R1.962 CCC(=O)CCCCCc1ccccc1 1458a_100000210414_200011217138 [0,0,1,0,0,0|3,0,0]=4 443 B15R1.962 CCC(=O)CCCCCc1ccccc1 1458a_100011216832_100000210202 [0,0,1,0,0,0|3,0,0]=4 444 B15R1.962 CCC(=O)NCCCCc1ccccc1 11a_100015280158_100000210414 [0,0,1,0,0,0|2,0,1]=4 445 B15R1.962 CCC(=O)NCCCCc1ccccc1 1626a_100015280158_100000210414 [0,0,1,0,0,0|2,0,1]=4 446 B15R1.962 CCC(=O)NCCCCc1ccccc1 240690a_100015280158_100000210414 [0,0,1,0,0,0|2,0,1]=4 447 B15R1.962 CCC(=O)NCCCCc1ccccc1 527a_100015280158_100000210414 [0,0,1,0,0,0|2,0,1]=4 448 B15R1.962 CNC(=O)CCCCCc1ccccc1 11a_106832991635_100011216832 [0,0,1,0,0,0|3,0,0]=4 449 B15R1.962 CNC(=O)CCCCCc1ccccc1 1626a_100102657272_100011216832 [0,0,1,0,0,0|3,0,0]=4 450 B15R1.962 CNC(=O)CCCCCc1ccccc1 240690a_100102657272_100011216832 [0,0,1,0,0,0|3,0,0]=4 451 B15R1.962 CNC(=O)CCCCCc1ccccc1 527a_100102657272_100011216832 [0,0,1,0,0,0|3,0,0]=4 452 B15R1.962 CNC(=O)NCCCCc1ccccc1 2708a_100015280158_106832991635 [0,0,1,0,0,0|2,0,1]=4 453 B15R1.962 CNC(=O)NCCCCc1ccccc1 2708a_100102657272_100015280158 [0,0,1,0,0,0|2,0,1]=4 454 B15R1.962 CNC(=O)NCCCCc1ccccc1 273464a_100015280158_100102657272 [0,0,1,0,0,0|2,0,1]=4 455 B15R1.962 CNC(=O)NCCCCc1ccccc1 273464a_100102657272_100015280158 [0,0,1,0,0,0|2,0,1]=4 456 B15R1.962 CNC(=O)NCCCCc1ccccc1 512a_100015280158_100102657272 [0,0,1,0,0,0|2,0,1]=4 457 B15R1.962 CNC(=O)NCCCCc1ccccc1 512a_106832991638_100015280158 [0,0,1,0,0,0|2,0,1]=4 458 B15R1.962 COC(=O)CCCCNc1ccccc1 34a_100000106764_100000204269 [0,0,1,0,0,0|3,0,0]=4 459 B15R1.962 COC(=O)CCCCOc1ccccc1 34a_100000210340_100000204269 [0,0,1,0,0,0|3,0,0]=4 460 B15R1.962 COC(=O)CCCCOc1ccccc1 7a_100000210340_100000204269 [0,0,1,0,0,0|3,0,0]=4 461 B15R1.962 COC(=O)CCCCSc1ccccc1 62a_100000204269_100000041952 [0,0,1,0,0,0|3,0,0]=4 462 B15R1.962 COC(=O)CCCCSc1ccccc1 62a_100000719477_100000204269 [0,0,1,0,0,0|3,0,0]=4 463 B15R1.962 COC(=O)CCCNCc1ccccc1 2230a_100015324214_100011218270 [0,0,1,0,0,0|3,0,0]=4 464 B15R1.962 COC(=O)CCCNCc1ccccc1 34a_100015324214_100000742333 [0,0,1,0,0,0|3,0,0]=4 465 B15R1.962 COC(=O)CCCOCc1ccccc1 34a_100000210790_100000742333 [0,0,1,0,0,0|3,0,0]=4 466 B15R1.962 COC(=O)CCCOCc1ccccc1 7a_100000210790_100011218270 [0,0,1,0,0,0|3,0,0]=4 467 B15R1.962 COC(=O)CCCSCc1ccccc1 62a_100000211182_100011218270 [0,0,1,0,0,0|3,0,0]=4 468 B15R1.962 COC(=O)CCCSCc1ccccc1 62a_100011218270_100015291786 [0,0,1,0,0,0|3,0,0]=4 469 B15R1.962 COC(=O)CCNCCc1ccccc1 2230a_100000106460_100000204255 [0,0,1,0,0,0|3,0,0]=4 470 B15R1.962 COC(=O)CCNCCc1ccccc1 34a_100000106460_100000742370 [0,0,1,0,0,0|3,0,0]=4 471 B15R1.962 COC(=O)CCOCCc1ccccc1 34a_100000210268_100000742370 [0,0,1,0,0,0|3,0,0]=4 472 B15R1.962 COC(=O)CCOCCc1ccccc1 7a_100000210268_100000204255 [0,0,1,0,0,0|3,0,0]=4 473 B15R1.962 COC(=O)CCSCCc1ccccc1 62a_100000204255_100011218657 [0,0,1,0,0,0|3,0,0]=4 474 B15R1.962 COC(=O)CCSCCc1ccccc1 62a_100000765856_100000204255 [0,0,1,0,0,0|3,0,0]=4 475 B15R1.962 COC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747449 [0,0,1,0,0,0|3,0,0]=4 476 B15R1.962 COC(=O)CNCCCc1ccccc1 34a_100000211184_100000747449 [0,0,1,0,0,0|3,0,0]=4 477 B15R1.962 COC(=O)COCCCc1ccccc1 34a_100000210828_100000747449 [0,0,1,0,0,0|3,0,0]=4 478 B15R1.962 COC(=O)COCCCc1ccccc1 7a_100000210828_100000747449 [0,0,1,0,0,0|3,0,0]=4 479 B15R1.962 COC(=O)CSCCCc1ccccc1 62a_100000211621_100000747449 [0,0,1,0,0,0|3,0,0]=4 480 B15R1.962 COC(=O)CSCCCc1ccccc1 62a_100000747449_100000211621 [0,0,1,0,0,0|3,0,0]=4 481 B15R1.962 COC(=O)NCCOCc1ccccc1 34a_100000757965_100015291786 [0,0,1,0,0,0|2,0,1]=4 482 B15R1.962 COC(=O)OCCOCc1ccccc1 34a_100010262106_100015291786 [0,0,1,0,0,0|3,0,0]=4 483 B15R1.962 COC(=O)OCSCCc1ccccc1 62a_100000765856_100000139417 [0,0,1,0,0,0|3,0,0]=4 484 B15R1.962 COC(C)SCCCCc1ccccc1 62a_100000701786_100009879195 [0,0,1,0,0,0|2,0,1]=4 485 B15R1.962 COC(C)SCCCCc1ccccc1 62a_100009879195_100000701786 [0,0,1,0,0,0|2,0,1]=4 486 B15R1.1306 C=CC[C@H](CO)NCCc1ccccc1 2230a_100020615467_100000765856 [0,0,1,0,0,0|3,0,0]=4 487 B15R1.9084 CN(CCCc1ccccc1)CC(=O)N 2230a_100000693637_100000747473 [0,0,1,0,0,0|2,0,1]=4 488 B15R1.9084 CN(CCCc1ccccc1)CC(=O)N 2230a_100000739694_100000211621 [0,0,1,0,0,0|2,0,1]=4 489 B15R1.9084 CN(CCCc1ccccc1)CC(=O)N 269982a_100000693637_100000187820 [0,0,1,0,0,0|2,0,1]=4 490 B15R1.9084 CN(CCCc1ccccc1)CC(=O)O 269956a_100000746989_100000211621 [0,0,1,0,0,0|3,0,0]=4 491 B17R3.2396 O=C1OCC(O1)SC2Cc3c2cccc3 62a_100009813401_100000032252 [0,0,0,1,0,0|3,0,0]=4 492 B15R2.283 Cc1nc(no1)CCc2ccccc2 270196a_100000212256_100000070787 [0,0,0,0,1,0|2,0,1]=4 493 B15R2.283 O=C1N[C@H](CO1)CNc2ccccc2 34a_100000106764_100015307671 [0,0,0,0,1,0|2,0,1]=4 494 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 34a_100000210340_100015307671 [0,0,0,0,1,0|2,0,1]=4 495 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 7a_100000210340_100015307671 [0,0,0,0,1,0|2,0,1]=4 496 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100000719477_100015307671 [0,0,0,0,1,0|2,0,1]=4 497 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100015307671_100000041952 [0,0,0,0,1,0|2,0,1]=4 498 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,0,1,0|3,0,0]=4 499 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,0,1,0|3,0,0]=4 500 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,0,1,0|3,0,0]=4 501 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,0,1,0|3,0,0]=4 502 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,0,1,0|3,0,0]=4 503 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,0,1,0|3,0,0]=4 504 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,0,1,0|3,0,0]=4 505 B15R2.283 Oc1nc(no1)CCc2ccccc2 270196a_100000212256_100015183105 [0,0,0,0,1,0|2,0,1]=4 506 B15R2.342 O=C1CCC1CCOc2ccccc2 7a_100000210340_200016118888 [0,0,0,0,1,0|3,0,0]=4 507 B15R2.342 O=C1CCC1CCSc2ccccc2 62a_100000719477_200016118888 [0,0,0,0,1,0|3,0,0]=4 508 B15R2.342 O=C1CCC1CCSc2ccccc2 62a_200016118888_100000041952 [0,0,0,0,1,0|3,0,0]=4 509 B15R2.342 O=C1CCC1NCCc2ccccc2 34a_100000106460_100009892977 [0,0,0,0,1,0|3,0,0]=4 510 B15R2.342 O=C1CCC1OCCc2ccccc2 34a_100000210268_100009892977 [0,0,0,0,1,0|3,0,0]=4 511 B15R2.342 O=C1CCC1OCCc2ccccc2 7a_100000210268_100009892977 [0,0,0,0,1,0|3,0,0]=4 512 B15R2.342 O=C1CCC1SCCc2ccccc2 62a_100000765856_100009892977 [0,0,0,0,1,0|3,0,0]=4 513 B15R2.342 O=C1CCC1SCCc2ccccc2 62a_100009892977_100011218657 [0,0,0,0,1,0|3,0,0]=4 514 B15R2.617 C=C1CC(C1)CNCc2ccccc2 207a_100102567296_100015611070 [0,0,0,0,1,0|3,0,0]=4 515 B15R2.617 C=C1CC(C1)CNCc2ccccc2 2230a_100102567296_100015291786 [0,0,0,0,1,0|3,0,0]=4 516 B15R2.617 C=C1CC(C1)CNCc2ccccc2 270004a_100102567296_100015611070 [0,0,0,0,1,0|3,0,0]=4 517 B15R2.617 C=C1CC(C1)CNCc2ccccc2 34a_100102567296_100015291786 [0,0,0,0,1,0|3,0,0]=4 518 B15R2.617 C=C1CC(C1)COCc2ccccc2 34a_100011011225_100015291786 [0,0,0,0,1,0|3,0,0]=4 519 B15R2.617 C=C1CC(C1)NCCc2ccccc2 2230a_100132301982_100000765856 [0,0,0,0,1,0|3,0,0]=4 520 B15R2.617 O=C1CC(C1)CNCc2ccccc2 2230a_100015324214_100009874392 [0,0,0,0,1,0|3,0,0]=4 521 B15R2.617 O=C1CC(C1)COCc2ccccc2 34a_100000101936_100015291786 [0,0,0,0,1,0|3,0,0]=4 522 B15R2.617 O=C1CC(C1)COCc2ccccc2 7a_100000210790_100009874392 [0,0,0,0,1,0|3,0,0]=4 523 B15R2.617 O=C1CC(C1)CSCc2ccccc2 62a_100000211182_100009874392 [0,0,0,0,1,0|3,0,0]=4 524 B15R2.617 O=C1CC(C1)CSCc2ccccc2 62a_100009874392_100015291786 [0,0,0,0,1,0|3,0,0]=4 525 B15R2.617 O=C1CC(C1)SCCc2ccccc2 62a_100009894365_100011218657 [0,0,0,0,1,0|3,0,0]=4 526 B17R2.3230 Cc1nc(co1)CNCCc2ccccc2 207a_100000106460_100011361629 [0,0,0,0,0,1|1,0,2]=4 527 B17R2.3230 Cc1nc(co1)CNCCc2ccccc2 270004a_100000106460_100011361629 [0,0,0,0,0,1|1,0,2]=4 528 B17R2.3230 Cc1nc(co1)COCCc2ccccc2 34a_100012017233_100000765856 [0,0,0,0,0,1|1,0,2]=4 529 B17R2.3230 Cc1nc(no1)CCCSc2ccccc2 270196a_200000172413_100000070787 [0,0,0,0,0,1|2,0,1]=4 530 B17R2.3230 Cc1nc(no1)CCOCc2ccccc2 270196a_100000740352_100000070787 [0,0,0,0,0,1|2,0,1]=4 531 B17R2.3230 Cc1nc(no1)CCSCc2ccccc2 270196a_200000172150_100000070787 [0,0,0,0,0,1|2,0,1]=4 532 B17R2.3230 Cc1nc(no1)CNCCc2ccccc2 2230a_100000106460_100000231061 [0,0,0,0,0,1|2,0,1]=4 533 B17R2.3230 Cc1nc(no1)CNCCc2ccccc2 34a_100000106460_100000231061 [0,0,0,0,0,1|2,0,1]=4 534 B17R2.3230 Cc1nc(no1)COCCc2ccccc2 34a_100000210268_100000231061 [0,0,0,0,0,1|2,0,1]=4 535 B17R2.3230 Cc1nc(no1)COCCc2ccccc2 7a_100000210268_100000231061 [0,0,0,0,0,1|2,0,1]=4 536 B17R2.3230 Cc1nc(no1)CSCCc2ccccc2 62a_100000231061_100011218657 [0,0,0,0,0,1|2,0,1]=4 537 B17R2.3230 Cc1nc(no1)CSCCc2ccccc2 62a_100000765856_100000231061 [0,0,0,0,0,1|2,0,1]=4 538 B17R2.3230 Cc1nc(no1)NCCCc2ccccc2 27a_100000211184_100012003639 [0,0,0,0,0,1|2,0,1]=4 539 B17R2.3230 Cc1nc(no1)SCCCc2ccccc2 62a_100000211621_100012003639 [0,0,0,0,0,1|2,0,1]=4 540 B17R2.3230 Cc1nc(no1)SCCCc2ccccc2 62a_100012003639_100000211621 [0,0,0,0,0,1|2,0,1]=4 541 B17R2.3230 Nc1ccn(n1)CCOCc2ccccc2 34a_100000752724_100015291786 [0,0,0,0,0,1|2,0,1]=4 542 B17R2.3230 Nc1csc(n1)SCCCc2ccccc2 62a_100000211621_200015188442 [0,0,0,0,0,1|2,0,1]=4 543 B17R2.3230 Nc1csc(n1)SCCCc2ccccc2 62a_200015188442_100000211621 [0,0,0,0,0,1|2,0,1]=4 544 B17R2.3230 Nc1nc(cs1)SCCCc2ccccc2 62a_100000211621_100011998049 [0,0,0,0,0,1|0,1,2]=4 545 B17R2.3230 Nc1nc(cs1)SCCCc2ccccc2 62a_100011998049_100000211621 [0,0,0,0,0,1|0,1,2]=4 546 B17R2.3230 Nc1nc(n[nH]1)SCCCc2ccccc2 62a_100000211621_100015184587 [0,0,0,0,0,1|2,0,1]=4 547 B17R2.3230 Nc1nc(n[nH]1)SCCCc2ccccc2 62a_100015184587_100000211621 [0,0,0,0,0,1|2,0,1]=4 548 B17R2.3230 O=C1C=C(CO1)CNCCc2ccccc2 34a_100000106460_100000716558 [0,0,0,0,0,1|2,0,1]=4 549 B17R2.3230 O=C1C=C(CO1)COCCc2ccccc2 34a_100000210268_100000716558 [0,0,0,0,0,1|2,0,1]=4 550 B17R2.3230 O=C1C=C(CO1)CSCCc2ccccc2 62a_100000716558_100011218657 [0,0,0,0,0,1|2,0,1]=4 551 B17R2.3230 O=C1C=C(CO1)CSCCc2ccccc2 62a_100000765856_100000716558 [0,0,0,0,0,1|2,0,1]=4 552 B17R2.3230 O=C1CC(CN1)CNCCc2ccccc2 2230a_100016993742_100000765856 [0,0,0,0,0,1|3,0,0]=4 553 B17R2.3230 O=C1CC(CN1)CNCCc2ccccc2 34a_100016993742_100000765856 [0,0,0,0,0,1|3,0,0]=4 554 B17R2.3230 O=C1CC(CN1)COCCc2ccccc2 34a_100016041077_100000765856 [0,0,0,0,0,1|3,0,0]=4 555 B17R2.3230 O=C1CC(CN1)NCCCc2ccccc2 2230a_100000697751_100000211621 [0,0,0,0,0,1|3,0,0]=4 556 B17R2.3230 O=C1CC(CN1)OCCCc2ccccc2 34a_100000690082_100000211621 [0,0,0,0,0,1|3,0,0]=4 557 B17R2.3230 O=C1CCC(C1)OCCCc2ccccc2 34a_100012614533_100000211621 [0,0,0,0,0,1|3,0,0]=4 558 B17R2.3230 O=C1CCC(N1)COCCc2ccccc2 34a_100000737831_100000765856 [0,0,0,0,0,1|2,0,1]=4 559 B17R2.3230 O=C1CC[C@@H](N1)CNCCc2ccccc2 2230a_100015423886_100000765856 [0,0,0,0,0,1|2,0,1]=4 560 B17R2.3230 O=C1CC[C@@H](N1)CNCCc2ccccc2 34a_100015423886_100000765856 [0,0,0,0,0,1|2,0,1]=4 561 B17R2.3230 O=C1CC[C@H](N1)CNCCc2ccccc2 2230a_100000106460_100015189358 [0,0,0,0,0,1|2,0,1]=4 562 B17R2.3230 O=C1CC[C@H](N1)COCCc2ccccc2 7a_100000210268_100015189358 [0,0,0,0,0,1|2,0,1]=4 563 B17R2.3230 O=C1CC[C@H](N1)CSCCc2ccccc2 62a_100000765856_100015189358 [0,0,0,0,0,1|2,0,1]=4 564 B17R2.3230 O=C1CC[C@H](N1)CSCCc2ccccc2 62a_100015189358_100011218657 [0,0,0,0,0,1|2,0,1]=4 565 B17R2.3230 O=C1NCC(O1)CNCCc2ccccc2 2230a_100000106460_100000181169 [0,0,0,0,0,1|3,0,0]=4 566 B17R2.3230 O=C1NCC(O1)CNCCc2ccccc2 34a_100000106460_100000181169 [0,0,0,0,0,1|3,0,0]=4 567 B17R2.3230 O=C1NCC(O1)COCCc2ccccc2 34a_100000210268_100000181169 [0,0,0,0,0,1|3,0,0]=4 568 B17R2.3230 O=C1NCC(O1)COCCc2ccccc2 34a_100011315639_100000765856 [0,0,0,0,0,1|3,0,0]=4 569 B17R2.3230 O=C1NCC(O1)COCCc2ccccc2 7a_100000210268_100000181169 [0,0,0,0,0,1|3,0,0]=4 570 B17R2.3230 O=C1NCC(O1)CSCCc2ccccc2 62a_100000181169_100011218657 [0,0,0,0,0,1|3,0,0]=4 571 B17R2.3230 O=C1NCC(O1)CSCCc2ccccc2 62a_100000765856_100000181169 [0,0,0,0,0,1|3,0,0]=4 572 B17R2.3230 O=C1N[C@H](CO1)CNCCc2ccccc2 2230a_100000106460_100015307671 [0,0,0,0,0,1|1,0,1]=3 573 B17R2.3230 O=C1N[C@H](CO1)CNCCc2ccccc2 34a_100000106460_100015307671 [0,0,0,0,0,1|1,0,1]=3 574 B17R2.3230 O=C1N[C@H](CO1)CNCCc2cccnc2 2230a_100000736294_100015307671 [0,0,0,0,0,1|2,0,1]=4 575 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccc2 34a_100000210268_100015307671 [0,0,0,0,0,1|1,0,1]=3 576 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccc2 7a_100000210268_100015307671 [0,0,0,0,0,1|1,0,1]=3 577 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccn2 34a_100000210271_100015307671 [0,0,0,0,0,1|2,0,1]=4 578 B17R2.3230 O=C1N[C@H](CO1)COCCc2cccnc2 34a_100011217484_100015307671 [0,0,0,0,0,1|2,0,1]=4 579 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccncc2 34a_100011216225_100015307671 [0,0,0,0,0,1|2,0,1]=4 580 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccc2 62a_100000765856_100015307671 [0,0,0,0,0,1|1,0,1]=3 581 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccc2 62a_100015307671_100011218657 [0,0,0,0,0,1|1,0,1]=3 582 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccn2 62a_100015183660_100015307671 [0,0,0,0,0,1|2,0,1]=4 583 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccn2 62a_100015307671_100015183660 [0,0,0,0,0,1|2,0,1]=4 584 B17R2.3230 O=C1N[C@H](CO1)CSCCc2cccnc2 62a_100015307671_200011713674 [0,0,0,0,0,1|2,0,1]=4 585 B17R2.3230 O=C1N[C@H](CO1)CSCCc2cccnc2 62a_200011713674_100015307671 [0,0,0,0,0,1|2,0,1]=4 586 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccncc2 62a_100000723409_100015307671 [0,0,0,0,0,1|2,0,1]=4 587 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccncc2 62a_100015307671_100000723409 [0,0,0,0,0,1|2,0,1]=4 588 B17R2.3230 O=C1N[C@H](CO1)CSCSc2ccccc2 62a_100011218342_100015307671 [0,0,0,0,0,1|2,0,1]=4 589 B17R2.3230 O=C1N[C@H](CO1)CSCSc2ccccc2 62a_100015307671_100011218342 [0,0,0,0,0,1|2,0,1]=4 590 B17R2.3230 O=C1OCC(O1)CNCCc2ccccc2 34a_100000106460_100000073702 [0,0,0,0,0,1|2,0,0]=3 591 B17R2.3230 O=C1OCC(O1)COCCc2ccccc2 34a_100000210268_100000073702 [0,0,0,0,0,1|2,0,0]=3 592 B17R2.3230 O=C1OCC(O1)COCCc2ccccn2 34a_100000210271_100000073702 [0,0,0,0,0,1|3,0,0]=4 593 B17R2.3230 O=C1OCC(O1)COCCc2cccnc2 34a_100011217484_100000073702 [0,0,0,0,0,1|3,0,0]=4 594 B17R2.3230 O=C1OCC(O1)COCCc2ccncc2 34a_100011216225_100000073702 [0,0,0,0,0,1|3,0,0]=4 595 B17R2.3230 O=C1OCC(O1)CSCCc2ccccc2 62a_100000073702_100011218657 [0,0,0,0,0,1|2,0,0]=3 596 B17R2.3230 O=C1OCC(O1)CSCCc2ccccc2 62a_100000765856_100000073702 [0,0,0,0,0,1|2,0,0]=3 597 B17R2.3230 O=C1OCC(O1)CSCCc2ccccn2 62a_100000073702_100015183660 [0,0,0,0,0,1|3,0,0]=4 598 B17R2.3230 O=C1OCC(O1)CSCCc2ccccn2 62a_100015183660_100000073702 [0,0,0,0,0,1|3,0,0]=4 599 B17R2.3230 O=C1OCC(O1)CSCCc2cccnc2 62a_100000073702_200011713674 [0,0,0,0,0,1|3,0,0]=4 600 B17R2.3230 O=C1OCC(O1)CSCCc2cccnc2 62a_200011713674_100000073702 [0,0,0,0,0,1|3,0,0]=4 601 B17R2.3230 O=C1OCC(O1)CSCCc2ccncc2 62a_100000073702_100000723409 [0,0,0,0,0,1|3,0,0]=4 602 B17R2.3230 O=C1OCC(O1)CSCCc2ccncc2 62a_100000723409_100000073702 [0,0,0,0,0,1|3,0,0]=4 603 B17R2.3230 O=C1OCC(O1)CSCSc2ccccc2 62a_100000073702_100011218342 [0,0,0,0,0,1|3,0,0]=4 604 B17R2.3230 O=C1OCC(O1)CSCSc2ccccc2 62a_100011218342_100000073702 [0,0,0,0,0,1|3,0,0]=4 605 B17R2.3230 O=C1OCC(O1)NCCCc2ccccc2 34a_100000211184_100000032252 [0,0,0,0,0,1|2,0,0]=3 606 B17R2.3230 O=C1OCC(O1)NCCCc2cccnc2 34a_100011532358_100000032252 [0,0,0,0,0,1|3,0,0]=4 607 B17R2.3230 O=C1OCC(O1)NCCOc2ccccc2 34a_100000174943_100000032252 [0,0,0,0,0,1|3,0,0]=4 608 B17R2.3230 O=C1OCC(O1)OCCCc2ccccc2 34a_100000210828_100000032252 [0,0,0,0,0,1|2,0,0]=3 609 B17R2.3230 O=C1OCC(O1)OCCCc2ccccn2 34a_100011215068_100000032252 [0,0,0,0,0,1|3,0,0]=4 610 B17R2.3230 O=C1OCC(O1)OCCCc2cccnc2 34a_100000211284_100000032252 [0,0,0,0,0,1|3,0,0]=4 611 B17R2.3230 O=C1OCC(O1)OCCCc2ccncc2 34a_100000210659_100000032252 [0,0,0,0,0,1|3,0,0]=4 612 B17R2.3230 O=C1OCC(O1)OCCNc2ccccc2 34a_100000211345_100000032252 [0,0,0,0,0,1|3,0,0]=4 613 B17R2.3230 O=C1OCC(O1)OCCOc2ccccc2 34a_100000210260_100000032252 [0,0,0,0,0,1|3,0,0]=4 614 B17R2.3230 O=C1OCC(O1)SCCCc2ccccc2 62a_100000211621_100000032252 [0,0,0,0,0,1|2,0,0]=3 615 B17R2.3230 O=C1OCC(O1)SCCOc2ccccc2 62a_100000184471_100000032252 [0,0,0,0,0,1|3,0,0]=4 616 B17R2.3230 O=C1OCC(O1)SCCSc2ccccc2 62a_100000246102_100000032252 [0,0,0,0,0,1|3,0,0]=4 617 B17R2.3230 O=C1OCC(O1)SCOCc2ccccc2 62a_100000763385_100000032252 [0,0,0,0,0,1|3,0,0]=4 618 B17R2.3230 O=C1OCC(O1)SCSCc2ccccc2 62a_200011217039_100000032252 [0,0,0,0,0,1|3,0,0]=4 619 B17R2.3230 O=S1OCC(O1)CCOCc2ccccc2 7a_100000210790_100009840081 [0,0,0,0,0,1|3,0,0]=4 620 B17R2.3230 O=S1OCC(O1)CCSCc2ccccc2 62a_100000211182_100009840081 [0,0,0,0,0,1|3,0,0]=4 621 B17R2.3230 Oc1nc(no1)CCCSc2ccccc2 270196a_200000172413_100015183105 [0,0,0,0,0,1|2,0,1]=4 622 B17R2.3230 Oc1nc(no1)CCOCc2ccccc2 270196a_100000740352_100015183105 [0,0,0,0,0,1|2,0,1]=4 623 B17R2.3230 Oc1nc(no1)CCSCc2ccccc2 270196a_200000172150_100015183105 [0,0,0,0,0,1|2,0,1]=4 624 B17R2.5301 O=C1CN(CCO1)CCCc2ccccc2 2230a_100000131268_100000211621 [0,0,0,0,0,1|3,0,0]=4 625 B17R2.5301 O=C1COCC(N1)COCc2ccccc2 34a_200000101122_100015291786 [0,0,0,0,0,1|2,0,1]=4 626 B14R1.123 C=COCCCNCc1ccccc1 207a_100000210767_100015611070 [1,0,1,0,0,0|2,0,0]=4 627 B14R1.123 C=COCCCNCc1ccccc1 2230a_100000210767_100015291786 [1,0,1,0,0,0|2,0,0]=4 628 B14R1.123 C=COCCCNCc1ccccc1 270004a_100000210767_100015611070 [1,0,1,0,0,0|2,0,0]=4 629 B14R1.123 C=COCCCNCc1ccccc1 34a_100000210767_100015291786 [1,0,1,0,0,0|2,0,0]=4 630 B14R1.123 C=COCCNCCc1ccccc1 2230a_100000106460_100000039644 [1,0,1,0,0,0|2,0,0]=4 631 B14R1.123 C=COCCNCCc1ccccc1 34a_100000106460_100000039644 [1,0,1,0,0,0|2,0,0]=4 632 B14R1.123 C=COCCOCCc1ccccc1 34a_100000033082_100000765856 [1,0,1,0,0,0|2,0,0]=4 633 B14R1.123 C=COCCOCCc1ccccc1 34a_100000210268_100000039644 [1,0,1,0,0,0|2,0,0]=4 634 B14R1.123 C=COCCOCCc1ccccc1 7a_100000210268_100000039644 [1,0,1,0,0,0|2,0,0]=4 635 B14R1.123 C=COCCSCCc1ccccc1 62a_100000039644_100011218657 [1,0,1,0,0,0|2,0,0]=4 636 B14R1.123 C=COCCSCCc1ccccc1 62a_100000765856_100000039644 [1,0,1,0,0,0|2,0,0]=4 637 B14R1.123 CCOCCCCCc1ccccc1 34a_100121572206_200011217138 [1,0,1,0,0,0|1,0,1]=4 638 B14R1.123 CCOCCCCCc1ccccc1 34a_200011219639_100000210202 [1,0,1,0,0,0|1,0,1]=4 639 B14R1.123 CCOCCCCCc1ccccc1 7a_200011219639_100000210202 [1,0,1,0,0,0|1,0,1]=4 640 B14R1.123 COCCCCCCc1ccccc1 34a_100011215581_200000210301 [1,0,1,0,0,0|1,0,1]=4 641 B14R1.123 COCCCCCCc1ccccc1 34a_100138415774_100011218729 [1,0,1,0,0,0|1,0,1]=4 642 B14R1.123 COCCCCCCc1ccccc1 7a_100011215581_200000210301 [1,0,1,0,0,0|1,0,1]=4 643 B14R1.123 COCNCCCCc1ccccc1 2230a_100015280158_100000766300 [1,0,1,0,0,0|0,0,2]=4 644 B14R1.123 COCSCCCCc1ccccc1 62a_100000701786_100000766300 [1,0,1,0,0,0|1,0,1]=4 645 B14R1.123 COCSCCCCc1ccccc1 62a_100000766300_100000701786 [1,0,1,0,0,0|1,0,1]=4 646 B14R1.123 FCOCCCCCc1ccccc1 34a_200011219639_100015361967 [1,0,1,0,0,0|1,0,1]=4 647 B14R1.123 FCOCCCCCc1ccccc1 7a_200011219639_100015361967 [1,0,1,0,0,0|1,0,1]=4 648 B14R1.123 [13CH3]OCCCCCCc1ccccc1 34a_100011215581_200025704644 [1,0,1,0,0,0|1,0,1]=4 649 B14R1.123 [13CH3]OCCCCCCc1ccccc1 7a_100011215581_200025704644 [1,0,1,0,0,0|1,0,1]=4 650 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [1,0,1,0,0,0|2,0,0]=4 651 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [1,0,1,0,0,0|2,0,0]=4 652 B14R1.422 CC(=O)NCCCCc1ccccc1 11a_100015280158_100015343762 [1,0,1,0,0,0|1,0,1]=4 653 B14R1.422 CC(=O)NCCCCc1ccccc1 1626a_100015280158_100015343762 [1,0,1,0,0,0|1,0,1]=4 654 B14R1.422 CC(=O)NCCCCc1ccccc1 240690a_100015280158_100015343762 [1,0,1,0,0,0|1,0,1]=4 655 B14R1.422 CC(=O)NCCCCc1ccccc1 527a_100015280158_100103153847 [1,0,1,0,0,0|1,0,1]=4 656 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [1,0,1,0,0,0|2,0,0]=4 657 B14R1.546 C=C[C@@H](CO)NCCc1ccccc1 2230a_100016989147_100000765856 [1,0,1,0,0,0|2,0,0]=4 658 B14R1.546 C=C[C@@H](CO)NCCc1ccccc1 34a_100016989147_100000765856 [1,0,1,0,0,0|2,0,0]=4 659 B16R1.77 Cc1ccc(cc1)CCNCCOC(=O)N 34a_100000705350_200011214921 [0,1,1,0,0,0|2,0,0]=4 660 B16R1.77 Cc1ccc(cc1)CCOCCOC(=O)N 34a_100000756670_200011214921 [0,1,1,0,0,0|2,0,0]=4 661 B16R1.77 Cc1ccc(cc1)CCOCCOC(=O)N 7a_100000756670_200011214921 [0,1,1,0,0,0|2,0,0]=4 662 B16R1.77 Cc1ccc(cc1)CCOCCOC(=O)N 7a_100000766696_100011713686 [0,1,1,0,0,0|2,0,0]=4 663 B16R1.77 Cc1ccc(cc1)CCSCCOC(=O)N 62a_100011713686_200011214921 [0,1,1,0,0,0|2,0,0]=4 664 B16R1.77 Cc1ccc(cc1)CCSCCOC(=O)N 62a_200011214921_100011713686 [0,1,1,0,0,0|2,0,0]=4 665 B16R1.77 NC(=O)OCCNCCc1ccc(cc1)Br 34a_100000755846_200011214921 [0,1,1,0,0,0|2,0,0]=4 666 B16R1.77 NC(=O)OCCNCCc1ccc(cc1)Cl 34a_100000185265_200011214921 [0,1,1,0,0,0|2,0,0]=4 667 B16R1.77 NC(=O)OCCNCCc1ccc(cc1)F 34a_100000199005_200011214921 [0,1,1,0,0,0|2,0,0]=4 668 B16R1.77 NC(=O)OCCNCCc1ccc(cc1)O 34a_100000743037_200011214921 [0,1,1,0,0,0|2,0,0]=4 669 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)Br 34a_100000766406_200011214921 [0,1,1,0,0,0|2,0,0]=4 670 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)Br 7a_100000766406_200011214921 [0,1,1,0,0,0|2,0,0]=4 671 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)Br 7a_100000766696_100011740612 [0,1,1,0,0,0|2,0,0]=4 672 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)Cl 34a_100011219627_200011214921 [0,1,1,0,0,0|2,0,0]=4 673 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)Cl 7a_100000766696_100011713675 [0,1,1,0,0,0|2,0,0]=4 674 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)Cl 7a_100011219627_200011214921 [0,1,1,0,0,0|2,0,0]=4 675 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)F 34a_100000754732_200011214921 [0,1,1,0,0,0|2,0,0]=4 676 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)F 7a_100000754732_200011214921 [0,1,1,0,0,0|2,0,0]=4 677 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)F 7a_100000766696_100011217392 [0,1,1,0,0,0|2,0,0]=4 678 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)I 34a_100012291149_200011214921 [0,1,1,0,0,0|2,0,0]=4 679 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)I 7a_100012291149_200011214921 [0,1,1,0,0,0|2,0,0]=4 680 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)N 34a_100011204434_200011214921 [0,1,1,0,0,0|2,0,0]=4 681 B16R1.77 NC(=O)OCCOCCc1ccc(cc1)O 7a_100000766696_100009816426 [0,1,1,0,0,0|2,0,0]=4 682 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)Br 62a_100011740612_200011214921 [0,1,1,0,0,0|2,0,0]=4 683 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)Br 62a_200011214921_100011740612 [0,1,1,0,0,0|2,0,0]=4 684 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)Cl 62a_100011713675_200011214921 [0,1,1,0,0,0|2,0,0]=4 685 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)Cl 62a_200011214921_100011713675 [0,1,1,0,0,0|2,0,0]=4 686 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)F 62a_100011217392_200011214921 [0,1,1,0,0,0|2,0,0]=4 687 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)F 62a_200011214921_100011217392 [0,1,1,0,0,0|2,0,0]=4 688 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)O 62a_100009816426_200011214921 [0,1,1,0,0,0|2,0,0]=4 689 B16R1.77 NC(=O)OCCSCCc1ccc(cc1)O 62a_200011214921_100009816426 [0,1,1,0,0,0|2,0,0]=4 690 B16R1.83 Cc1cccc(c1)CCNCCOC(=O)N 34a_100000749837_200011214921 [0,1,1,0,0,0|2,0,0]=4 691 B16R1.83 Cc1cccc(c1)CCOCCOC(=O)N 34a_100011217157_200011214921 [0,1,1,0,0,0|2,0,0]=4 692 B16R1.83 Cc1cccc(c1)CCOCCOC(=O)N 7a_100000766696_100011713685 [0,1,1,0,0,0|2,0,0]=4 693 B16R1.83 Cc1cccc(c1)CCOCCOC(=O)N 7a_100011217157_200011214921 [0,1,1,0,0,0|2,0,0]=4 694 B16R1.83 Cc1cccc(c1)CCSCCOC(=O)N 62a_100011713685_200011214921 [0,1,1,0,0,0|2,0,0]=4 695 B16R1.83 Cc1cccc(c1)CCSCCOC(=O)N 62a_200011214921_100011713685 [0,1,1,0,0,0|2,0,0]=4 696 B16R1.83 NC(=O)OCCNCCc1cccc(c1)Br 34a_100011207229_200011214921 [0,1,1,0,0,0|2,0,0]=4 697 B16R1.83 NC(=O)OCCNCCc1cccc(c1)Cl 34a_100000185263_200011214921 [0,1,1,0,0,0|2,0,0]=4 698 B16R1.83 NC(=O)OCCNCCc1cccc(c1)F 34a_100000205154_200011214921 [0,1,1,0,0,0|2,0,0]=4 699 B16R1.83 NC(=O)OCCNCCc1cccc(c1)O 34a_100000747277_200011214921 [0,1,1,0,0,0|2,0,0]=4 700 B16R1.83 NC(=O)OCCOCCc1cccc(c1)Br 34a_100011217444_200011214921 [0,1,1,0,0,0|2,0,0]=4 701 B16R1.83 NC(=O)OCCOCCc1cccc(c1)Br 7a_100000766696_100011740638 [0,1,1,0,0,0|2,0,0]=4 702 B16R1.83 NC(=O)OCCOCCc1cccc(c1)Br 7a_100011217444_200011214921 [0,1,1,0,0,0|2,0,0]=4 703 B16R1.83 NC(=O)OCCOCCc1cccc(c1)Cl 34a_100000754733_200011214921 [0,1,1,0,0,0|2,0,0]=4 704 B16R1.83 NC(=O)OCCOCCc1cccc(c1)Cl 7a_100000754733_200011214921 [0,1,1,0,0,0|2,0,0]=4 705 B16R1.83 NC(=O)OCCOCCc1cccc(c1)Cl 7a_100000766696_100011713710 [0,1,1,0,0,0|2,0,0]=4 706 B16R1.83 NC(=O)OCCOCCc1cccc(c1)F 34a_100000763591_200011214921 [0,1,1,0,0,0|2,0,0]=4 707 B16R1.83 NC(=O)OCCOCCc1cccc(c1)F 7a_100000763591_200011214921 [0,1,1,0,0,0|2,0,0]=4 708 B16R1.83 NC(=O)OCCOCCc1cccc(c1)F 7a_100000766696_100011217235 [0,1,1,0,0,0|2,0,0]=4 709 B16R1.83 NC(=O)OCCOCCc1cccc(c1)N 34a_100011996697_200011214921 [0,1,1,0,0,0|2,0,0]=4 710 B16R1.83 NC(=O)OCCSCCc1cccc(c1)Br 62a_100011740638_200011214921 [0,1,1,0,0,0|2,0,0]=4 711 B16R1.83 NC(=O)OCCSCCc1cccc(c1)Br 62a_200011214921_100011740638 [0,1,1,0,0,0|2,0,0]=4 712 B16R1.83 NC(=O)OCCSCCc1cccc(c1)Cl 62a_100011713710_200011214921 [0,1,1,0,0,0|2,0,0]=4 713 B16R1.83 NC(=O)OCCSCCc1cccc(c1)Cl 62a_200011214921_100011713710 [0,1,1,0,0,0|2,0,0]=4 714 B16R1.83 NC(=O)OCCSCCc1cccc(c1)F 62a_100011217235_200011214921 [0,1,1,0,0,0|2,0,0]=4 715 B16R1.83 NC(=O)OCCSCCc1cccc(c1)F 62a_200011214921_100011217235 [0,1,1,0,0,0|2,0,0]=4 716 B16R1.290 Cc1ccccc1CCNCCOC(=O)N 34a_100000685071_200011214921 [0,1,1,0,0,0|2,0,0]=4 717 B16R1.290 Cc1ccccc1CCOCCOC(=O)N 34a_100011220023_200011214921 [0,1,1,0,0,0|2,0,0]=4 718 B16R1.290 Cc1ccccc1CCOCCOC(=O)N 7a_100000766696_100011713688 [0,1,1,0,0,0|2,0,0]=4 719 B16R1.290 Cc1ccccc1CCOCCOC(=O)N 7a_100011220023_200011214921 [0,1,1,0,0,0|2,0,0]=4 720 B16R1.290 Cc1ccccc1CCSCCOC(=O)N 62a_100011713688_200011214921 [0,1,1,0,0,0|2,0,0]=4 721 B16R1.290 Cc1ccccc1CCSCCOC(=O)N 62a_200011214921_100011713688 [0,1,1,0,0,0|2,0,0]=4 722 B16R1.290 NC(=O)OCCNCCc1ccccc1Br 34a_100000747383_200011214921 [0,1,1,0,0,0|2,0,0]=4 723 B16R1.290 NC(=O)OCCNCCc1ccccc1Cl 34a_100011207228_200011214921 [0,1,1,0,0,0|2,0,0]=4 724 B16R1.290 NC(=O)OCCNCCc1ccccc1F 34a_100000185272_200011214921 [0,1,1,0,0,0|2,0,0]=4 725 B16R1.290 NC(=O)OCCNCCc1ccccc1O 34a_100011207237_200011214921 [0,1,1,0,0,0|2,0,0]=4 726 B16R1.290 NC(=O)OCCOCCc1ccccc1Br 34a_100000731337_200011214921 [0,1,1,0,0,0|2,0,0]=4 727 B16R1.290 NC(=O)OCCOCCc1ccccc1Br 7a_100000731337_200011214921 [0,1,1,0,0,0|2,0,0]=4 728 B16R1.290 NC(=O)OCCOCCc1ccccc1Br 7a_100000766696_100012161201 [0,1,1,0,0,0|2,0,0]=4 729 B16R1.290 NC(=O)OCCOCCc1ccccc1Cl 34a_100011215284_200011214921 [0,1,1,0,0,0|2,0,0]=4 730 B16R1.290 NC(=O)OCCOCCc1ccccc1Cl 7a_100000766696_100011713703 [0,1,1,0,0,0|2,0,0]=4 731 B16R1.290 NC(=O)OCCOCCc1ccccc1Cl 7a_100011215284_200011214921 [0,1,1,0,0,0|2,0,0]=4 732 B16R1.290 NC(=O)OCCOCCc1ccccc1F 34a_100000753711_200011214921 [0,1,1,0,0,0|2,0,0]=4 733 B16R1.290 NC(=O)OCCOCCc1ccccc1F 7a_100000753711_200011214921 [0,1,1,0,0,0|2,0,0]=4 734 B16R1.290 NC(=O)OCCOCCc1ccccc1F 7a_100000766696_100000720011 [0,1,1,0,0,0|2,0,0]=4 735 B16R1.290 NC(=O)OCCOCCc1ccccc1I 34a_100010255290_200011214921 [0,1,1,0,0,0|2,0,0]=4 736 B16R1.290 NC(=O)OCCOCCc1ccccc1I 7a_100010255290_200011214921 [0,1,1,0,0,0|2,0,0]=4 737 B16R1.290 NC(=O)OCCOCCc1ccccc1N 34a_100011215289_200011214921 [0,1,1,0,0,0|2,0,0]=4 738 B16R1.290 NC(=O)OCCOCCc1ccccc1O 7a_100000766696_100000722297 [0,1,1,0,0,0|2,0,0]=4 739 B16R1.290 NC(=O)OCCSCCc1ccccc1Br 62a_100012161201_200011214921 [0,1,1,0,0,0|2,0,0]=4 740 B16R1.290 NC(=O)OCCSCCc1ccccc1Br 62a_200011214921_100012161201 [0,1,1,0,0,0|2,0,0]=4 741 B16R1.290 NC(=O)OCCSCCc1ccccc1Cl 62a_100011713703_200011214921 [0,1,1,0,0,0|2,0,0]=4 742 B16R1.290 NC(=O)OCCSCCc1ccccc1Cl 62a_200011214921_100011713703 [0,1,1,0,0,0|2,0,0]=4 743 B16R1.290 NC(=O)OCCSCCc1ccccc1F 62a_100011713696_200011214921 [0,1,1,0,0,0|2,0,0]=4 744 B16R1.290 NC(=O)OCCSCCc1ccccc1F 62a_200011214921_100011713696 [0,1,1,0,0,0|2,0,0]=4 745 B16R1.290 NC(=O)OCCSCCc1ccccc1O 62a_100000722297_200011214921 [0,1,1,0,0,0|2,0,0]=4 746 B16R1.290 NC(=O)OCCSCCc1ccccc1O 62a_200011214921_100000722297 [0,1,1,0,0,0|2,0,0]=4 747 B16R1.608 CN(CCOC(=O)N)CCc1ccccc1 269982a_100000207497_200011214921 [0,1,1,0,0,0|2,0,0]=4 748 B16R1.608 NC(=O)OCCC(=O)CCc1ccccc1 1458a_100000185753_200011214921 [0,1,1,0,0,0|1,0,1]=4 749 B16R1.609 CC(CNCCOC(=O)N)c1ccccc1 34a_100000701038_200011214921 [0,1,1,0,0,0|2,0,0]=4 750 B16R1.609 CC(COCCOC(=O)N)c1ccccc1 34a_100011215166_200011214921 [0,1,1,0,0,0|2,0,0]=4 751 B16R1.609 CC(COCCOC(=O)N)c1ccccc1 7a_100000766696_100000756946 [0,1,1,0,0,0|2,0,0]=4 752 B16R1.609 CC(COCCOC(=O)N)c1ccccc1 7a_100011215166_200011214921 [0,1,1,0,0,0|2,0,0]=4 753 B16R1.609 CC(CSCCOC(=O)N)c1ccccc1 62a_100000756946_200011214921 [0,1,1,0,0,0|2,0,0]=4 754 B16R1.609 CC(CSCCOC(=O)N)c1ccccc1 62a_200011214921_100000756946 [0,1,1,0,0,0|2,0,0]=4 755 B16R1.609 NC(=O)OCCOCC(O)c1ccccc1 7a_100000766696_100000185958 [0,1,1,0,0,0|2,0,0]=4 756 B16R1.609 NC(=O)OCCOC[C@@H](N)c1ccccc1 34a_100000751927_200011214921 [0,1,1,0,0,0|2,0,0]=4 757 B16R1.609 NC(=O)OCCOC[C@@H](O)c1ccccc1 7a_100000766696_100011933945 [0,1,1,0,0,0|2,0,0]=4 758 B16R1.609 NC(=O)OCCSCC(O)c1ccccc1 62a_100000185958_200011214921 [0,1,1,0,0,0|2,0,0]=4 759 B16R1.609 NC(=O)OCCSCC(O)c1ccccc1 62a_200011214921_100000185958 [0,1,1,0,0,0|2,0,0]=4 760 B16R1.609 NC(=O)OCCSC[C@@H](O)c1ccccc1 62a_100011933945_200011214921 [0,1,1,0,0,0|2,0,0]=4 761 B16R1.609 NC(=O)OCCSC[C@@H](O)c1ccccc1 62a_200011214921_100011933945 [0,1,1,0,0,0|2,0,0]=4 762 B16R1.610 CC(Cc1ccccc1)OCCOC(=O)N 34a_100000748627_200011214921 [0,1,1,0,0,0|2,0,0]=4 763 B16R1.610 CC(Cc1ccccc1)OCCOC(=O)N 7a_100000748627_200011214921 [0,1,1,0,0,0|2,0,0]=4 764 B16R1.610 CC(Cc1ccccc1)OCCOC(=O)N 7a_100000766696_200011218536 [0,1,1,0,0,0|2,0,0]=4 765 B16R1.610 CC(Cc1ccccc1)SCCOC(=O)N 62a_200011214921_200011218536 [0,1,1,0,0,0|2,0,0]=4 766 B16R1.610 CC(Cc1ccccc1)SCCOC(=O)N 62a_200011218536_200011214921 [0,1,1,0,0,0|2,0,0]=4 767 B16R1.1166 CC(CN)OCCCCCc1ccccc1 34a_100000210904_200011217138 [0,1,1,0,0,0|1,0,1]=4 768 B16R1.1166 CNC(=O)CCCCCCc1ccccc1 11a_106832991635_100000036270 [0,1,1,0,0,0|2,0,0]=4 769 B16R1.1166 CNC(=O)CCCCCCc1ccccc1 1626a_100102657272_100000036270 [0,1,1,0,0,0|2,0,0]=4 770 B16R1.1166 CNC(=O)CCCCCCc1ccccc1 240690a_100102657272_100000036270 [0,1,1,0,0,0|2,0,0]=4 771 B16R1.1166 CNC(=O)CCCCCCc1ccccc1 527a_100102657272_100000036270 [0,1,1,0,0,0|2,0,0]=4 772 B16R1.1166 CNC(=O)NCCCCCc1ccccc1 2708a_100000750932_106832991635 [0,1,1,0,0,0|2,0,0]=4 773 B16R1.1166 CNC(=O)NCCCCCc1ccccc1 2708a_100102657272_100000750932 [0,1,1,0,0,0|2,0,0]=4 774 B16R1.1166 CNC(=O)NCCCCCc1ccccc1 273464a_100000750932_100102657272 [0,1,1,0,0,0|2,0,0]=4 775 B16R1.1166 CNC(=O)NCCCCCc1ccccc1 273464a_100102657272_100000750932 [0,1,1,0,0,0|2,0,0]=4 776 B16R1.1166 CNC(=O)NCCCCCc1ccccc1 512a_100000750932_100102657272 [0,1,1,0,0,0|2,0,0]=4 777 B16R1.1166 CNC(=O)NCCCCCc1ccccc1 512a_106832991638_100000750932 [0,1,1,0,0,0|2,0,0]=4 778 B16R1.1166 CNC(=O)OCCNCCc1ccccc1 34a_100000106460_200011997002 [0,1,1,0,0,0|2,0,0]=4 779 B16R1.1166 CNC(=O)OCCOCCc1ccccc1 34a_100000210268_200011997002 [0,1,1,0,0,0|2,0,0]=4 780 B16R1.1166 CNC(=O)OCCOCCc1ccccc1 7a_100000210268_200011997002 [0,1,1,0,0,0|2,0,0]=4 781 B16R1.1166 CNC(=O)OCCSCCc1ccccc1 62a_100000765856_200011997002 [0,1,1,0,0,0|2,0,0]=4 782 B16R1.1166 CNC(=O)OCCSCCc1ccccc1 62a_200011997002_100011218657 [0,1,1,0,0,0|2,0,0]=4 783 B16R1.1166 NC(=NO)CCOCCCc1ccccc1 34a_100000749954_100000211621 [0,1,1,0,0,0|2,0,0]=4 784 B16R1.932 COCC(=O)CCCCCc1ccccc1 1458a_100000210968_200011217138 [0,1,1,0,0,0|2,0,0]=4 785 B16R1.932 COCC(=O)NCCCCc1ccccc1 11a_100015280158_100000210968 [0,1,1,0,0,0|1,0,1]=4 786 B16R1.932 COCC(=O)NCCCCc1ccccc1 1626a_100015280158_100000210968 [0,1,1,0,0,0|1,0,1]=4 787 B16R1.932 COCC(=O)NCCCCc1ccccc1 240690a_100015280158_100000210968 [0,1,1,0,0,0|1,0,1]=4 788 B16R1.932 COCC(=O)NCCCCc1ccccc1 527a_100015280158_100000210968 [0,1,1,0,0,0|1,0,1]=4 789 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccc2 1458a_100000002200_100015291786 [0,1,0,0,1,0|0,1,1]=4 790 B18R2.3700 CC(COC1COC(=O)O1)Cc2ccccc2 34a_100012125295_100000032252 [0,1,0,0,0,1|2,0,0]=4 791 B18R2.3700 CC(Cc1ccccc1)OCC2COC(=O)O2 34a_100000748627_100000073702 [0,1,0,0,0,1|2,0,0]=4 792 B18R2.3700 CC(Cc1ccccc1)OC[C@H]2COC(=O)N2 34a_100000748627_100015307671 [0,1,0,0,0,1|1,0,1]=4 793 B18R2.3700 CC(Cc1ccccc1)OC[C@H]2COC(=O)N2 7a_100000748627_100015307671 [0,1,0,0,0,1|1,0,1]=4 794 B18R2.3700 CC(Cc1ccccc1)SCC2COC(=O)O2 62a_100000073702_200011218536 [0,1,0,0,0,1|2,0,0]=4 795 B18R2.3700 CC(Cc1ccccc1)SCC2COC(=O)O2 62a_200011218536_100000073702 [0,1,0,0,0,1|2,0,0]=4 796 B18R2.3700 CC(Cc1ccccc1)SC[C@H]2COC(=O)N2 62a_100015307671_200011218536 [0,1,0,0,0,1|1,0,1]=4 797 B18R2.3700 CC(Cc1ccccc1)SC[C@H]2COC(=O)N2 62a_200011218536_100015307671 [0,1,0,0,0,1|1,0,1]=4 798 B18R2.3700 NC(COC1COC(=O)O1)Cc2ccccc2 34a_100000739027_100000032252 [0,1,0,0,0,1|2,0,0]=4 799 B18R2.3700 O=C1OCC(O1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000032252 [0,1,0,0,0,1|2,0,0]=4 800 B18R2.3709 CC(CNCC1COC(=O)O1)c2ccccc2 34a_100000701038_100000073702 [0,1,0,0,0,1|2,0,0]=4 801 B18R2.3709 CC(CNC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000701038_100015307671 [0,1,0,0,0,1|1,0,1]=4 802 B18R2.3709 CC(CNC[C@H]1COC(=O)N1)c2ccccc2 34a_100000701038_100015307671 [0,1,0,0,0,1|1,0,1]=4 803 B18R2.3709 CC(COCC1COC(=O)O1)c2ccccc2 34a_100011215166_100000073702 [0,1,0,0,0,1|2,0,0]=4 804 B18R2.3709 CC(COC[C@H]1COC(=O)N1)c2ccccc2 34a_100011215166_100015307671 [0,1,0,0,0,1|1,0,1]=4 805 B18R2.3709 CC(COC[C@H]1COC(=O)N1)c2ccccc2 7a_100011215166_100015307671 [0,1,0,0,0,1|1,0,1]=4 806 B18R2.3709 CC(CSCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000756946 [0,1,0,0,0,1|2,0,0]=4 807 B18R2.3709 CC(CSCC1COC(=O)O1)c2ccccc2 62a_100000756946_100000073702 [0,1,0,0,0,1|2,0,0]=4 808 B18R2.3709 CC(CSC[C@H]1COC(=O)N1)c2ccccc2 62a_100000756946_100015307671 [0,1,0,0,0,1|1,0,1]=4 809 B18R2.3709 CC(CSC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000756946 [0,1,0,0,0,1|1,0,1]=4 810 B18R2.3709 N[C@@H](CCOC1COC(=O)O1)c2ccccc2 34a_100025705951_100000032252 [0,1,0,0,0,1|2,0,0]=4 811 B18R2.3709 N[C@H](COCC1COC(=O)O1)c2ccccc2 34a_100000751927_100000073702 [0,1,0,0,0,1|2,0,0]=4 812 B18R2.3709 N[C@H](COC[C@H]1COC(=O)N1)c2ccccc2 34a_100000751927_100015307671 [0,1,0,0,0,1|1,0,1]=4 813 B18R2.3709 O=C1N[C@H](CO1)CNCC(O)c2ccccc2 2230a_100000210709_100015307671 [0,1,0,0,0,1|1,0,1]=4 814 B18R2.3709 O=C1N[C@H](CO1)CSCC(O)c2ccccc2 62a_100000185958_100015307671 [0,1,0,0,0,1|1,0,1]=4 815 B18R2.3709 O=C1N[C@H](CO1)CSCC(O)c2ccccc2 62a_100015307671_100000185958 [0,1,0,0,0,1|1,0,1]=4 816 B18R2.3709 O=C1N[C@H](CO1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100015307671 [0,1,0,0,0,1|1,0,1]=4 817 B18R2.3709 O=C1N[C@H](CO1)CSC[C@@H](O)c2ccccc2 62a_100015307671_100011933945 [0,1,0,0,0,1|1,0,1]=4 818 B18R2.3709 O=C1OCC(O1)CSCC(O)c2ccccc2 62a_100000073702_100000185958 [0,1,0,0,0,1|2,0,0]=4 819 B18R2.3709 O=C1OCC(O1)CSCC(O)c2ccccc2 62a_100000185958_100000073702 [0,1,0,0,0,1|2,0,0]=4 820 B18R2.3709 O=C1OCC(O1)CSC[C@@H](O)c2ccccc2 62a_100000073702_100011933945 [0,1,0,0,0,1|2,0,0]=4 821 B18R2.3709 O=C1OCC(O1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000073702 [0,1,0,0,0,1|2,0,0]=4 822 B18R2.3709 O=C1OCC(O1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000032252 [0,1,0,0,0,1|2,0,0]=4 823 B18R2.3723 CC(CCc1ccccc1)NC2COC(=O)O2 34a_100000210798_100000032252 [0,1,0,0,0,1|2,0,0]=4 824 B18R2.3723 CN(CCc1ccccc1)CC2COC(=O)O2 269982a_100000207497_100000073702 [0,1,0,0,0,1|2,0,0]=4 825 B18R2.3723 CN(CCc1ccccc1)C[C@H]2COC(=O)N2 2230a_100000207497_100015307671 [0,1,0,0,0,1|1,0,1]=4 826 B18R2.3723 CN(CCc1ccccc1)C[C@H]2COC(=O)N2 269982a_100000207497_100015307671 [0,1,0,0,0,1|1,0,1]=4 827 B18R2.3723 C[C@@H](CCc1ccccc1)OC2COC(=O)O2 34a_100009815974_100000032252 [0,1,0,0,0,1|2,0,0]=4 828 B18R2.3723 O=C(CCc1ccccc1)CC2COC(=O)O2 1458a_100000185753_100000073702 [0,1,0,0,0,1|2,0,0]=4 829 B18R2.3723 O=C(CCc1ccccc1)C[C@H]2COC(=O)N2 1458a_100000185753_100015307671 [0,1,0,0,0,1|1,0,1]=4 830 B18R2.3732 NC1=NC(CS1)C(=O)CCCc2ccccc2 1458a_100000002200_100000211621 [0,1,0,0,0,1|0,1,0]=3 831 B18R2.3732 NC1=NC(CS1)C(=O)CCOc2ccccc2 1458a_100000002200_100000184471 [0,1,0,0,0,1|0,1,1]=4 832 B18R2.3732 NC1=NC(CS1)C(=O)CCSc2ccccc2 1458a_100000002200_100000246102 [0,1,0,0,0,1|0,1,1]=4 833 B18R2.3732 NC1=NC(CS1)C(=O)CSCc2ccccc2 1458a_100000002200_200011217039 [0,1,0,0,0,1|0,1,1]=4 834 B18R2.3732 NC1=NC(CS1)C(=O)NCCc2ccccc2 240690a_100000106460_100000002200 [0,1,0,0,0,1|0,1,1]=4 835 B18R2.3895 Cc1cccc(c1)CCCNC2COC(=O)O2 34a_103496528808_100000032252 [0,1,0,0,0,1|2,0,0]=4 836 B18R2.3895 Cc1cccc(c1)CCNCC2COC(=O)O2 34a_100000749837_100000073702 [0,1,0,0,0,1|2,0,0]=4 837 B18R2.3895 Cc1cccc(c1)CCNC[C@H]2COC(=O)N2 2230a_100000749837_100015307671 [0,1,0,0,0,1|1,0,1]=4 838 B18R2.3895 Cc1cccc(c1)CCNC[C@H]2COC(=O)N2 34a_100000749837_100015307671 [0,1,0,0,0,1|1,0,1]=4 839 B18R2.3895 Cc1cccc(c1)CCOCC2COC(=O)O2 34a_100011217157_100000073702 [0,1,0,0,0,1|2,0,0]=4 840 B18R2.3895 Cc1cccc(c1)CCOC[C@H]2COC(=O)N2 34a_100011217157_100015307671 [0,1,0,0,0,1|1,0,1]=4 841 B18R2.3895 Cc1cccc(c1)CCOC[C@H]2COC(=O)N2 7a_100011217157_100015307671 [0,1,0,0,0,1|1,0,1]=4 842 B18R2.3895 Cc1cccc(c1)CCSCC2COC(=O)O2 62a_100000073702_100011713685 [0,1,0,0,0,1|2,0,0]=4 843 B18R2.3895 Cc1cccc(c1)CCSCC2COC(=O)O2 62a_100011713685_100000073702 [0,1,0,0,0,1|2,0,0]=4 844 B18R2.3895 Cc1cccc(c1)CCSC[C@H]2COC(=O)N2 62a_100011713685_100015307671 [0,1,0,0,0,1|1,0,1]=4 845 B18R2.3895 Cc1cccc(c1)CCSC[C@H]2COC(=O)N2 62a_100015307671_100011713685 [0,1,0,0,0,1|1,0,1]=4 846 B18R2.3895 Nc1cccc(c1)CCCOC2COC(=O)O2 34a_200000698965_100000032252 [0,1,0,0,0,1|2,0,0]=4 847 B18R2.3895 Nc1cccc(c1)CCOCC2COC(=O)O2 34a_100011996697_100000073702 [0,1,0,0,0,1|2,0,0]=4 848 B18R2.3895 Nc1cccc(c1)CCOC[C@H]2COC(=O)N2 34a_100011996697_100015307671 [0,1,0,0,0,1|1,0,1]=4 849 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)Br 2230a_100011207229_100015307671 [0,1,0,0,0,1|1,0,1]=4 850 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)Br 34a_100011207229_100015307671 [0,1,0,0,0,1|1,0,1]=4 851 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)Cl 2230a_100000185263_100015307671 [0,1,0,0,0,1|1,0,1]=4 852 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)Cl 34a_100000185263_100015307671 [0,1,0,0,0,1|1,0,1]=4 853 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)F 2230a_100000205154_100015307671 [0,1,0,0,0,1|1,0,1]=4 854 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)F 34a_100000205154_100015307671 [0,1,0,0,0,1|1,0,1]=4 855 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)O 2230a_100000747277_100015307671 [0,1,0,0,0,1|1,0,1]=4 856 B18R2.3895 O=C1N[C@H](CO1)CNCCc2cccc(c2)O 34a_100000747277_100015307671 [0,1,0,0,0,1|1,0,1]=4 857 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Br 34a_100011217444_100015307671 [0,1,0,0,0,1|1,0,1]=4 858 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Br 7a_100011217444_100015307671 [0,1,0,0,0,1|1,0,1]=4 859 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Cl 34a_100000754733_100015307671 [0,1,0,0,0,1|1,0,1]=4 860 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)Cl 7a_100000754733_100015307671 [0,1,0,0,0,1|1,0,1]=4 861 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)F 34a_100000763591_100015307671 [0,1,0,0,0,1|1,0,1]=4 862 B18R2.3895 O=C1N[C@H](CO1)COCCc2cccc(c2)F 7a_100000763591_100015307671 [0,1,0,0,0,1|1,0,1]=4 863 B18R2.3895 O=C1N[C@H](CO1)CSCCc2cccc(c2)Br 62a_100011740638_100015307671 [0,1,0,0,0,1|1,0,1]=4 864 B18R2.3895 O=C1N[C@H](CO1)CSCCc2cccc(c2)Br 62a_100015307671_100011740638 [0,1,0,0,0,1|1,0,1]=4 865 B18R2.3895 O=C1N[C@H](CO1)CSCCc2cccc(c2)Cl 62a_100011713710_100015307671 [0,1,0,0,0,1|1,0,1]=4 866 B18R2.3895 O=C1N[C@H](CO1)CSCCc2cccc(c2)Cl 62a_100015307671_100011713710 [0,1,0,0,0,1|1,0,1]=4 867 B18R2.3895 O=C1N[C@H](CO1)CSCCc2cccc(c2)F 62a_100011217235_100015307671 [0,1,0,0,0,1|1,0,1]=4 868 B18R2.3895 O=C1N[C@H](CO1)CSCCc2cccc(c2)F 62a_100015307671_100011217235 [0,1,0,0,0,1|1,0,1]=4 869 B18R2.3895 O=C1OCC(O1)CNCCc2cccc(c2)Br 34a_100011207229_100000073702 [0,1,0,0,0,1|2,0,0]=4 870 B18R2.3895 O=C1OCC(O1)CNCCc2cccc(c2)Cl 34a_100000185263_100000073702 [0,1,0,0,0,1|2,0,0]=4 871 B18R2.3895 O=C1OCC(O1)CNCCc2cccc(c2)F 34a_100000205154_100000073702 [0,1,0,0,0,1|2,0,0]=4 872 B18R2.3895 O=C1OCC(O1)CNCCc2cccc(c2)O 34a_100000747277_100000073702 [0,1,0,0,0,1|2,0,0]=4 873 B18R2.3895 O=C1OCC(O1)COCCc2cccc(c2)Br 34a_100011217444_100000073702 [0,1,0,0,0,1|2,0,0]=4 874 B18R2.3895 O=C1OCC(O1)COCCc2cccc(c2)Cl 34a_100000754733_100000073702 [0,1,0,0,0,1|2,0,0]=4 875 B18R2.3895 O=C1OCC(O1)COCCc2cccc(c2)F 34a_100000763591_100000073702 [0,1,0,0,0,1|2,0,0]=4 876 B18R2.3895 O=C1OCC(O1)CSCCc2cccc(c2)Br 62a_100000073702_100011740638 [0,1,0,0,0,1|2,0,0]=4 877 B18R2.3895 O=C1OCC(O1)CSCCc2cccc(c2)Br 62a_100011740638_100000073702 [0,1,0,0,0,1|2,0,0]=4 878 B18R2.3895 O=C1OCC(O1)CSCCc2cccc(c2)Cl 62a_100000073702_100011713710 [0,1,0,0,0,1|2,0,0]=4 879 B18R2.3895 O=C1OCC(O1)CSCCc2cccc(c2)Cl 62a_100011713710_100000073702 [0,1,0,0,0,1|2,0,0]=4 880 B18R2.3895 O=C1OCC(O1)CSCCc2cccc(c2)F 62a_100000073702_100011217235 [0,1,0,0,0,1|2,0,0]=4 881 B18R2.3895 O=C1OCC(O1)CSCCc2cccc(c2)F 62a_100011217235_100000073702 [0,1,0,0,0,1|2,0,0]=4 882 B18R2.3895 O=C1OCC(O1)NCCCc2cccc(c2)Br 34a_100000753791_100000032252 [0,1,0,0,0,1|2,0,0]=4 883 B18R2.3895 O=C1OCC(O1)NCCCc2cccc(c2)Cl 34a_100000704586_100000032252 [0,1,0,0,0,1|2,0,0]=4 884 B18R2.3895 O=C1OCC(O1)NCCCc2cccc(c2)F 34a_100000754185_100000032252 [0,1,0,0,0,1|2,0,0]=4 885 B18R2.3895 O=C1OCC(O1)OCCCc2cccc(c2)Br 34a_100011709248_100000032252 [0,1,0,0,0,1|2,0,0]=4 886 B18R2.3895 O=C1OCC(O1)OCCCc2cccc(c2)Cl 34a_100011709246_100000032252 [0,1,0,0,0,1|2,0,0]=4 887 B18R2.3895 O=C1OCC(O1)SCCCc2cccc(c2)Br 62a_100011713683_100000032252 [0,1,0,0,0,1|2,0,0]=4 888 B18R2.3895 O=C1OCC(O1)SCCCc2cccc(c2)F 62a_200000698031_100000032252 [0,1,0,0,0,1|2,0,0]=4 889 B18R2.8986 Cc1ccc(cc1)CCCNC2COC(=O)O2 34a_100011236272_100000032252 [0,1,0,0,0,1|2,0,0]=4 890 B18R2.8986 Cc1ccc(cc1)CCCOC2COC(=O)O2 34a_100000189427_100000032252 [0,1,0,0,0,1|2,0,0]=4 891 B18R2.8986 Cc1ccc(cc1)CCNCC2COC(=O)O2 34a_100000705350_100000073702 [0,1,0,0,0,1|2,0,0]=4 892 B18R2.8986 Cc1ccc(cc1)CCNC[C@H]2COC(=O)N2 2230a_100000705350_100015307671 [0,1,0,0,0,1|1,0,1]=4 893 B18R2.8986 Cc1ccc(cc1)CCNC[C@H]2COC(=O)N2 34a_100000705350_100015307671 [0,1,0,0,0,1|1,0,1]=4 894 B18R2.8986 Cc1ccc(cc1)CCOCC2COC(=O)O2 34a_100000756670_100000073702 [0,1,0,0,0,1|2,0,0]=4 895 B18R2.8986 Cc1ccc(cc1)CCOC[C@H]2COC(=O)N2 34a_100000756670_100015307671 [0,1,0,0,0,1|1,0,1]=4 896 B18R2.8986 Cc1ccc(cc1)CCOC[C@H]2COC(=O)N2 7a_100000756670_100015307671 [0,1,0,0,0,1|1,0,1]=4 897 B18R2.8986 Cc1ccc(cc1)CCSCC2COC(=O)O2 62a_100000073702_100011713686 [0,1,0,0,0,1|2,0,0]=4 898 B18R2.8986 Cc1ccc(cc1)CCSCC2COC(=O)O2 62a_100011713686_100000073702 [0,1,0,0,0,1|2,0,0]=4 899 B18R2.8986 Cc1ccc(cc1)CCSC[C@H]2COC(=O)N2 62a_100011713686_100015307671 [0,1,0,0,0,1|1,0,1]=4 900 B18R2.8986 Cc1ccc(cc1)CCSC[C@H]2COC(=O)N2 62a_100015307671_100011713686 [0,1,0,0,0,1|1,0,1]=4 901 B18R2.8986 Nc1ccc(cc1)CCOCC2COC(=O)O2 34a_100011204434_100000073702 [0,1,0,0,0,1|2,0,0]=4 902 B18R2.8986 Nc1ccc(cc1)CCOC[C@H]2COC(=O)N2 34a_100011204434_100015307671 [0,1,0,0,0,1|1,0,1]=4 903 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)Br 2230a_100000755846_100015307671 [0,1,0,0,0,1|1,0,1]=4 904 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)Br 34a_100000755846_100015307671 [0,1,0,0,0,1|1,0,1]=4 905 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)Cl 2230a_100000185265_100015307671 [0,1,0,0,0,1|1,0,1]=4 906 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)Cl 34a_100000185265_100015307671 [0,1,0,0,0,1|1,0,1]=4 907 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)F 2230a_100000199005_100015307671 [0,1,0,0,0,1|1,0,1]=4 908 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)F 34a_100000199005_100015307671 [0,1,0,0,0,1|1,0,1]=4 909 B18R2.8986 O=C1N[C@H](CO1)CNCCc2ccc(cc2)O 34a_100000743037_100015307671 [0,1,0,0,0,1|1,0,1]=4 910 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Br 34a_100000766406_100015307671 [0,1,0,0,0,1|1,0,1]=4 911 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Br 7a_100000766406_100015307671 [0,1,0,0,0,1|1,0,1]=4 912 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Cl 34a_100011219627_100015307671 [0,1,0,0,0,1|1,0,1]=4 913 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)Cl 7a_100011219627_100015307671 [0,1,0,0,0,1|1,0,1]=4 914 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)F 34a_100000754732_100015307671 [0,1,0,0,0,1|1,0,1]=4 915 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)F 7a_100000754732_100015307671 [0,1,0,0,0,1|1,0,1]=4 916 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)I 34a_100012291149_100015307671 [0,1,0,0,0,1|1,0,1]=4 917 B18R2.8986 O=C1N[C@H](CO1)COCCc2ccc(cc2)I 7a_100012291149_100015307671 [0,1,0,0,0,1|1,0,1]=4 918 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)Br 62a_100011740612_100015307671 [0,1,0,0,0,1|1,0,1]=4 919 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)Br 62a_100015307671_100011740612 [0,1,0,0,0,1|1,0,1]=4 920 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)Cl 62a_100011713675_100015307671 [0,1,0,0,0,1|1,0,1]=4 921 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)Cl 62a_100015307671_100011713675 [0,1,0,0,0,1|1,0,1]=4 922 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)F 62a_100011217392_100015307671 [0,1,0,0,0,1|1,0,1]=4 923 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)F 62a_100015307671_100011217392 [0,1,0,0,0,1|1,0,1]=4 924 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)O 62a_100009816426_100015307671 [0,1,0,0,0,1|1,0,1]=4 925 B18R2.8986 O=C1N[C@H](CO1)CSCCc2ccc(cc2)O 62a_100015307671_100009816426 [0,1,0,0,0,1|1,0,1]=4 926 B18R2.8986 O=C1OCC(O1)CNCCc2ccc(cc2)Br 34a_100000755846_100000073702 [0,1,0,0,0,1|2,0,0]=4 927 B18R2.8986 O=C1OCC(O1)CNCCc2ccc(cc2)Cl 34a_100000185265_100000073702 [0,1,0,0,0,1|2,0,0]=4 928 B18R2.8986 O=C1OCC(O1)CNCCc2ccc(cc2)F 34a_100000199005_100000073702 [0,1,0,0,0,1|2,0,0]=4 929 B18R2.8986 O=C1OCC(O1)CNCCc2ccc(cc2)O 34a_100000743037_100000073702 [0,1,0,0,0,1|2,0,0]=4 930 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)Br 34a_100000766406_100000073702 [0,1,0,0,0,1|2,0,0]=4 931 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)Cl 34a_100011219627_100000073702 [0,1,0,0,0,1|2,0,0]=4 932 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)F 34a_100000754732_100000073702 [0,1,0,0,0,1|2,0,0]=4 933 B18R2.8986 O=C1OCC(O1)COCCc2ccc(cc2)I 34a_100012291149_100000073702 [0,1,0,0,0,1|2,0,0]=4 934 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)Br 62a_100000073702_100011740612 [0,1,0,0,0,1|2,0,0]=4 935 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)Br 62a_100011740612_100000073702 [0,1,0,0,0,1|2,0,0]=4 936 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)Cl 62a_100000073702_100011713675 [0,1,0,0,0,1|2,0,0]=4 937 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)Cl 62a_100011713675_100000073702 [0,1,0,0,0,1|2,0,0]=4 938 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)F 62a_100000073702_100011217392 [0,1,0,0,0,1|2,0,0]=4 939 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)F 62a_100011217392_100000073702 [0,1,0,0,0,1|2,0,0]=4 940 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)O 62a_100000073702_100009816426 [0,1,0,0,0,1|2,0,0]=4 941 B18R2.8986 O=C1OCC(O1)CSCCc2ccc(cc2)O 62a_100009816426_100000073702 [0,1,0,0,0,1|2,0,0]=4 942 B18R2.8986 O=C1OCC(O1)NCCCc2ccc(cc2)Br 34a_100011297623_100000032252 [0,1,0,0,0,1|2,0,0]=4 943 B18R2.8986 O=C1OCC(O1)NCCCc2ccc(cc2)Cl 34a_100000748451_100000032252 [0,1,0,0,0,1|2,0,0]=4 944 B18R2.8986 O=C1OCC(O1)NCCCc2ccc(cc2)F 34a_100025745824_100000032252 [0,1,0,0,0,1|2,0,0]=4 945 B18R2.8986 O=C1OCC(O1)OCCCc2ccc(cc2)Br 34a_100011709247_100000032252 [0,1,0,0,0,1|2,0,0]=4 946 B18R2.8986 O=C1OCC(O1)OCCCc2ccc(cc2)Cl 34a_100011217485_100000032252 [0,1,0,0,0,1|2,0,0]=4 947 B18R2.8986 O=C1OCC(O1)OCCCc2ccc(cc2)F 34a_100000757351_100000032252 [0,1,0,0,0,1|2,0,0]=4 948 B18R2.8986 O=C1OCC(O1)SCCCc2ccc(cc2)Br 62a_100011713682_100000032252 [0,1,0,0,0,1|2,0,0]=4 949 B18R2.8986 O=C1OCC(O1)SCCCc2ccc(cc2)Cl 62a_100000759440_100000032252 [0,1,0,0,0,1|2,0,0]=4 950 B18R2.8986 O=C1OCC(O1)SCCCc2ccc(cc2)F 62a_200011713563_100000032252 [0,1,0,0,0,1|2,0,0]=4 951 B18R2.29582 Cc1ccccc1CCNCC2COC(=O)O2 34a_100000685071_100000073702 [0,1,0,0,0,1|2,0,0]=4 952 B18R2.29582 Cc1ccccc1CCNC[C@H]2COC(=O)N2 2230a_100000685071_100015307671 [0,1,0,0,0,1|1,0,1]=4 953 B18R2.29582 Cc1ccccc1CCNC[C@H]2COC(=O)N2 34a_100000685071_100015307671 [0,1,0,0,0,1|1,0,1]=4 954 B18R2.29582 Cc1ccccc1CCOCC2COC(=O)O2 34a_100011220023_100000073702 [0,1,0,0,0,1|2,0,0]=4 955 B18R2.29582 Cc1ccccc1CCOC[C@H]2COC(=O)N2 34a_100011220023_100015307671 [0,1,0,0,0,1|1,0,1]=4 956 B18R2.29582 Cc1ccccc1CCOC[C@H]2COC(=O)N2 7a_100011220023_100015307671 [0,1,0,0,0,1|1,0,1]=4 957 B18R2.29582 Cc1ccccc1CCSCC2COC(=O)O2 62a_100000073702_100011713688 [0,1,0,0,0,1|2,0,0]=4 958 B18R2.29582 Cc1ccccc1CCSCC2COC(=O)O2 62a_100011713688_100000073702 [0,1,0,0,0,1|2,0,0]=4 959 B18R2.29582 Cc1ccccc1CCSC[C@H]2COC(=O)N2 62a_100011713688_100015307671 [0,1,0,0,0,1|1,0,1]=4 960 B18R2.29582 Cc1ccccc1CCSC[C@H]2COC(=O)N2 62a_100015307671_100011713688 [0,1,0,0,0,1|1,0,1]=4 961 B18R2.29582 Nc1ccccc1CCOCC2COC(=O)O2 34a_100011215289_100000073702 [0,1,0,0,0,1|2,0,0]=4 962 B18R2.29582 Nc1ccccc1CCOC[C@H]2COC(=O)N2 34a_100011215289_100015307671 [0,1,0,0,0,1|1,0,1]=4 963 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2Br 2230a_100000747383_100015307671 [0,1,0,0,0,1|1,0,1]=4 964 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2Br 34a_100000747383_100015307671 [0,1,0,0,0,1|1,0,1]=4 965 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2Cl 2230a_100011207228_100015307671 [0,1,0,0,0,1|1,0,1]=4 966 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2Cl 34a_100011207228_100015307671 [0,1,0,0,0,1|1,0,1]=4 967 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2F 2230a_100000185272_100015307671 [0,1,0,0,0,1|1,0,1]=4 968 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2F 34a_100000185272_100015307671 [0,1,0,0,0,1|1,0,1]=4 969 B18R2.29582 O=C1N[C@H](CO1)CNCCc2ccccc2O 34a_100011207237_100015307671 [0,1,0,0,0,1|1,0,1]=4 970 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Br 34a_100000731337_100015307671 [0,1,0,0,0,1|1,0,1]=4 971 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Br 7a_100000731337_100015307671 [0,1,0,0,0,1|1,0,1]=4 972 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Cl 34a_100011215284_100015307671 [0,1,0,0,0,1|1,0,1]=4 973 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2Cl 7a_100011215284_100015307671 [0,1,0,0,0,1|1,0,1]=4 974 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2F 34a_100000753711_100015307671 [0,1,0,0,0,1|1,0,1]=4 975 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2F 7a_100000753711_100015307671 [0,1,0,0,0,1|1,0,1]=4 976 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2I 34a_100010255290_100015307671 [0,1,0,0,0,1|1,0,1]=4 977 B18R2.29582 O=C1N[C@H](CO1)COCCc2ccccc2I 7a_100010255290_100015307671 [0,1,0,0,0,1|1,0,1]=4 978 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2Br 62a_100012161201_100015307671 [0,1,0,0,0,1|1,0,1]=4 979 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2Br 62a_100015307671_100012161201 [0,1,0,0,0,1|1,0,1]=4 980 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2Cl 62a_100011713703_100015307671 [0,1,0,0,0,1|1,0,1]=4 981 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2Cl 62a_100015307671_100011713703 [0,1,0,0,0,1|1,0,1]=4 982 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2F 62a_100011713696_100015307671 [0,1,0,0,0,1|1,0,1]=4 983 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2F 62a_100015307671_100011713696 [0,1,0,0,0,1|1,0,1]=4 984 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2O 62a_100000722297_100015307671 [0,1,0,0,0,1|1,0,1]=4 985 B18R2.29582 O=C1N[C@H](CO1)CSCCc2ccccc2O 62a_100015307671_100000722297 [0,1,0,0,0,1|1,0,1]=4 986 B18R2.29582 O=C1OCC(O1)CNCCc2ccccc2Br 34a_100000747383_100000073702 [0,1,0,0,0,1|2,0,0]=4 987 B18R2.29582 O=C1OCC(O1)CNCCc2ccccc2Cl 34a_100011207228_100000073702 [0,1,0,0,0,1|2,0,0]=4 988 B18R2.29582 O=C1OCC(O1)CNCCc2ccccc2F 34a_100000185272_100000073702 [0,1,0,0,0,1|2,0,0]=4 989 B18R2.29582 O=C1OCC(O1)CNCCc2ccccc2O 34a_100011207237_100000073702 [0,1,0,0,0,1|2,0,0]=4 990 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2Br 34a_100000731337_100000073702 [0,1,0,0,0,1|2,0,0]=4 991 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2Cl 34a_100011215284_100000073702 [0,1,0,0,0,1|2,0,0]=4 992 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2F 34a_100000753711_100000073702 [0,1,0,0,0,1|2,0,0]=4 993 B18R2.29582 O=C1OCC(O1)COCCc2ccccc2I 34a_100010255290_100000073702 [0,1,0,0,0,1|2,0,0]=4 994 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2Br 62a_100000073702_100012161201 [0,1,0,0,0,1|2,0,0]=4 995 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2Br 62a_100012161201_100000073702 [0,1,0,0,0,1|2,0,0]=4 996 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2Cl 62a_100000073702_100011713703 [0,1,0,0,0,1|2,0,0]=4 997 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2Cl 62a_100011713703_100000073702 [0,1,0,0,0,1|2,0,0]=4 998 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2F 62a_100000073702_100011713696 [0,1,0,0,0,1|2,0,0]=4 999 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2F 62a_100011713696_100000073702 [0,1,0,0,0,1|2,0,0]=4 1000 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2O 62a_100000073702_100000722297 [0,1,0,0,0,1|2,0,0]=4 1001 B18R2.29582 O=C1OCC(O1)CSCCc2ccccc2O 62a_100000722297_100000073702 [0,1,0,0,0,1|2,0,0]=4 1002 B18R2.29582 O=C1OCC(O1)NCCCc2ccccc2F 34a_100000724733_100000032252 [0,1,0,0,0,1|2,0,0]=4 1003 B18R2.29582 O=C1OCC(O1)OCCCc2ccccc2Br 34a_100000699526_100000032252 [0,1,0,0,0,1|2,0,0]=4 1004 B18R2.29582 O=C1OCC(O1)OCCCc2ccccc2Cl 34a_100011709251_100000032252 [0,1,0,0,0,1|2,0,0]=4 1005 B18R2.29582 O=C1OCC(O1)OCCCc2ccccc2F 34a_100011709249_100000032252 [0,1,0,0,0,1|2,0,0]=4 1006 B18R2.29582 O=C1OCC(O1)SCCCc2ccccc2Br 62a_200011713681_100000032252 [0,1,0,0,0,1|2,0,0]=4 1007 B18R2.258 Cc1ccc(cc1)CCC(=O)C2CSC(=N2)N 1458a_100000002200_100011713686 [0,2,0,0,0,0|0,1,1]=4 1008 B18R2.258 NC1=NC(CS1)C(=O)CCc2ccc(cc2)Br 1458a_100000002200_100011740612 [0,2,0,0,0,0|0,1,1]=4 1009 B18R2.258 NC1=NC(CS1)C(=O)CCc2ccc(cc2)Cl 1458a_100000002200_100011713675 [0,2,0,0,0,0|0,1,1]=4 1010 B18R2.258 NC1=NC(CS1)C(=O)CCc2ccc(cc2)F 1458a_100000002200_100011217392 [0,2,0,0,0,0|0,1,1]=4 1011 B18R2.258 NC1=NC(CS1)C(=O)CCc2ccc(cc2)O 1458a_100000002200_100009816426 [0,2,0,0,0,0|0,1,1]=4 1012 B18R2.7060 NC(=O)c1nc(no1)CCCc2ccccc2 270196a_200000738867_100011215815 [0,2,0,0,0,0|1,0,1]=4 1013 B18R2.3715 CC(Cc1ccccc1)C(=O)C2CSC(=N2)N 1458a_100000002200_200011218536 [0,2,0,0,0,0|0,1,1]=4 1014 B18R2.3702 CC(CC(=O)C1CSC(=N1)N)c2ccccc2 1458a_100000002200_100000756946 [0,2,0,0,0,0|0,1,1]=4 1015 B18R2.3702 NC1=NC(CS1)C(=O)CC(O)c2ccccc2 1458a_100000002200_100000185958 [0,2,0,0,0,0|0,1,1]=4 1016 B18R2.3702 NC1=NC(CS1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000002200_100011933945 [0,2,0,0,0,0|0,1,1]=4 1017 B18R2.6468 Cc1cccc(c1)CCC(=O)C2CSC(=N2)N 1458a_100000002200_100011713685 [0,2,0,0,0,0|0,1,1]=4 1018 B18R2.6468 NC1=NC(CS1)C(=O)CCc2cccc(c2)Br 1458a_100000002200_100011740638 [0,2,0,0,0,0|0,1,1]=4 1019 B18R2.6468 NC1=NC(CS1)C(=O)CCc2cccc(c2)Cl 1458a_100000002200_100011713710 [0,2,0,0,0,0|0,1,1]=4 1020 B18R2.6468 NC1=NC(CS1)C(=O)CCc2cccc(c2)F 1458a_100000002200_100011217235 [0,2,0,0,0,0|0,1,1]=4 1021 B18R2.29839 Cc1ccccc1CCC(=O)C2CSC(=N2)N 1458a_100000002200_100011713688 [0,2,0,0,0,0|0,1,1]=4 1022 B18R2.29839 NC1=NC(CS1)C(=O)CCc2ccccc2Br 1458a_100000002200_100012161201 [0,2,0,0,0,0|0,1,1]=4 1023 B18R2.29839 NC1=NC(CS1)C(=O)CCc2ccccc2Cl 1458a_100000002200_100011713703 [0,2,0,0,0,0|0,1,1]=4 1024 B18R2.29839 NC1=NC(CS1)C(=O)CCc2ccccc2F 1458a_100000002200_100000720011 [0,2,0,0,0,0|0,1,1]=4 1025 B18R2.29839 NC1=NC(CS1)C(=O)CCc2ccccc2O 1458a_100000002200_100000722297 [0,2,0,0,0,0|0,1,1]=4 1026 B16R2.180471 NC(=O)OCCOC1Cc2c1cccc2 7a_100000766696_100009813401 [0,0,1,1,0,0|2,0,0]=4 1027 B16R2.180471 NC(=O)OCCSC1Cc2c1cccc2 62a_100009813401_200011214921 [0,0,1,1,0,0|2,0,0]=4 1028 B16R2.180471 NC(=O)OCCSC1Cc2c1cccc2 62a_200011214921_100009813401 [0,0,1,1,0,0|2,0,0]=4 1029 B18R3.2886 O=C1OCC(O1)N[C@H]2CCc3c2cccc3 34a_100016989578_100000032252 [0,0,0,1,0,1|2,0,0]=4 1030 B18R3.2886 O=C1OCC(O1)OC2CCc3c2cccc3 34a_100000212247_100000032252 [0,0,0,1,0,1|2,0,0]=4 1031 B18R3.2887 O=C1OCC(O1)N2C[C@@H]2Cc3ccccc3 34a_100016998360_100000032252 [0,0,0,1,0,1|2,0,0]=4 1032 B18R3.2894 O=C1N[C@H](CO1)CSC2Cc3c2cccc3 62a_100009813401_100015307671 [0,0,0,1,0,1|1,0,1]=4 1033 B18R3.2894 O=C1N[C@H](CO1)CSC2Cc3c2cccc3 62a_100015307671_100009813401 [0,0,0,1,0,1|1,0,1]=4 1034 B18R3.2894 O=C1OCC(O1)CSC2Cc3c2cccc3 62a_100000073702_100009813401 [0,0,0,1,0,1|2,0,0]=4 1035 B18R3.2894 O=C1OCC(O1)CSC2Cc3c2cccc3 62a_100009813401_100000073702 [0,0,0,1,0,1|2,0,0]=4 1036 B18R3.2894 O=C1OCC(O1)OCC2Cc3c2cccc3 34a_100012476685_100000032252 [0,0,0,1,0,1|2,0,0]=4 1037 B18R3.2940 O=C1OCC(O1)N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000032252 [0,0,0,1,0,1|2,0,0]=4 1038 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,0,1,0,1,0|2,0,0]=4 1039 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,0,1,0,1,0|2,0,0]=4 1040 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,0,1,0,1,0|2,0,0]=4 1041 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,0,1,0,1,0|2,0,0]=4 1042 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,0,1,0,1,0|2,0,0]=4 1043 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,0,1,0,1,0|2,0,0]=4 1044 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,0,1,0,1,0|2,0,0]=4 1045 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,0,1,0,1,0|2,0,0]=4 1046 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,0,1,0,1,0|2,0,0]=4 1047 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,0,1,0,1,0|2,0,0]=4 1048 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,0,1,0,1,0|2,0,0]=4 1049 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,0,1,0,1,0|2,0,0]=4 1050 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,0,1,0,1,0|2,0,0]=4 1051 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,1,0,1,0|2,0,0]=4 1052 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,1,0,1,0|2,0,0]=4 1053 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,0,1,0,1,0|2,0,0]=4 1054 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,0,1,0,1,0|2,0,0]=4 1055 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,0,1,0,1,0|2,0,0]=4 1056 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,0,1,0,1,0|2,0,0]=4 1057 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,0,1,0,1,0|2,0,0]=4 1058 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,0,1,0,1,0|2,0,0]=4 1059 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,0,1,0,1,0|2,0,0]=4 1060 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,0,1,0,1,0|2,0,0]=4 1061 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,0,1,0,1,0|1,0,1]=4 1062 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,0,1,0,1,0|2,0,0]=4 1063 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702099 [0,0,1,0,1,0|1,0,1]=4 1064 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702099 [0,0,1,0,1,0|1,0,1]=4 1065 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,0,1,0,1,0|1,0,1]=4 1066 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,0,1,0,1,0|1,0,1]=4 1067 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000702099_100011218657 [0,0,1,0,1,0|1,0,1]=4 1068 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000765856_100000702099 [0,0,1,0,1,0|1,0,1]=4 1069 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 2230a_100000119354_100000765856 [0,0,1,0,1,0|1,0,1]=4 1070 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 34a_100000119354_100000765856 [0,0,1,0,1,0|1,0,1]=4 1071 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,0,1,0,1,0|1,0,1]=4 1072 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,0,1,0,1,0|1,0,1]=4 1073 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,0,1,0,1,0|2,0,0]=4 1074 B14R2.3019 c1ccc(cc1)CCNC2COC2 2230a_100016991112_100000765856 [1,0,0,0,1,0|1,0,1]=4 1075 B14R2.3019 c1ccc(cc1)CCNC2COC2 34a_100000106460_100009818527 [1,0,0,0,1,0|1,0,1]=4 1076 B14R2.3019 c1ccc(cc1)CCOC2COC2 34a_100000210268_100009818527 [1,0,0,0,1,0|1,0,1]=4 1077 B14R2.3019 c1ccc(cc1)CCOC2COC2 7a_100000210268_100009818527 [1,0,0,0,1,0|1,0,1]=4 1078 B14R2.3019 c1ccc(cc1)CCSC2COC2 62a_100000765856_100009818527 [1,0,0,0,1,0|1,0,1]=4 1079 B14R2.3019 c1ccc(cc1)CNCC2COC2 207a_100015281925_100015611070 [1,0,0,0,1,0|1,0,1]=4 1080 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015281925_100015291786 [1,0,0,0,1,0|1,0,1]=4 1081 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015324214_100010264016 [1,0,0,0,1,0|1,0,1]=4 1082 B14R2.3019 c1ccc(cc1)CNCC2COC2 270004a_100015281925_100015611070 [1,0,0,0,1,0|1,0,1]=4 1083 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015281925_100015291786 [1,0,0,0,1,0|1,0,1]=4 1084 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015324214_100010264016 [1,0,0,0,1,0|1,0,1]=4 1085 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000060846_100015291786 [1,0,0,0,1,0|1,0,1]=4 1086 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000210790_100010264016 [1,0,0,0,1,0|1,0,1]=4 1087 B14R2.3019 c1ccc(cc1)COCC2COC2 7a_100000210790_100010264016 [1,0,0,0,1,0|1,0,1]=4 1088 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100000211182_100010264016 [1,0,0,0,1,0|1,0,1]=4 1089 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100010264016_100015291786 [1,0,0,0,1,0|1,0,1]=4 1090 B16R1.596 C=C(C)COCCCCCc1ccccc1 34a_100000210245_200011217138 [0,0,1,0,0,1|2,0,0]=4 1091 B16R1.596 C=C(C)COCCCCCc1ccccc1 34a_200011219639_100000748629 [0,0,1,0,0,1|2,0,0]=4 1092 B16R1.596 C=C(C)COCCCCCc1ccccc1 7a_200011219639_100000748629 [0,0,1,0,0,1|2,0,0]=4 1093 B16R1.596 C=C(F)COCCCCCc1ccccc1 34a_200010262243_200011217138 [0,0,1,0,0,1|2,0,0]=4 1094 B16R1.596 C=C(F)COCCCCCc1ccccc1 34a_200011219639_100009893438 [0,0,1,0,0,1|2,0,0]=4 1095 B16R1.596 C=C(F)COCCCCCc1ccccc1 7a_200011219639_100000042424 [0,0,1,0,0,1|2,0,0]=4 1096 B16R1.596 CC(=O)COCCCCCc1ccccc1 34a_100000211253_200011217138 [0,0,1,0,0,1|2,0,0]=4 1097 B16R1.596 CC(=O)OCCCCCNc1ccccc1 34a_100000106764_100000033007 [0,0,1,0,0,1|2,0,0]=4 1098 B16R1.596 CC(=O)OCCCCCOc1ccccc1 34a_100000210340_100000033007 [0,0,1,0,0,1|2,0,0]=4 1099 B16R1.596 CC(=O)OCCCCCOc1ccccc1 7a_100000210340_100000033007 [0,0,1,0,0,1|2,0,0]=4 1100 B16R1.596 CC(=O)OCCCCCSc1ccccc1 62a_100000033007_100000041952 [0,0,1,0,0,1|2,0,0]=4 1101 B16R1.596 CC(=O)OCCCCCSc1ccccc1 62a_100000719477_100000033007 [0,0,1,0,0,1|2,0,0]=4 1102 B16R1.596 CC(=O)OCCCCNCc1ccccc1 34a_100015324214_100000033659 [0,0,1,0,0,1|2,0,0]=4 1103 B16R1.596 CC(=O)OCCCCOCc1ccccc1 34a_100000073216_100015291786 [0,0,1,0,0,1|2,0,0]=4 1104 B16R1.596 CC(=O)OCCCCOCc1ccccc1 34a_100000210790_100000033659 [0,0,1,0,0,1|2,0,0]=4 1105 B16R1.596 CC(=O)OCCCCOCc1ccccc1 7a_100000073216_100000211182 [0,0,1,0,0,1|2,0,0]=4 1106 B16R1.596 CC(=O)OCCCCOCc1ccccc1 7a_100000210790_100000033659 [0,0,1,0,0,1|2,0,0]=4 1107 B16R1.596 CC(=O)OCCCCSCc1ccccc1 62a_100000033659_100015291786 [0,0,1,0,0,1|2,0,0]=4 1108 B16R1.596 CC(=O)OCCCCSCc1ccccc1 62a_100000211182_100000033659 [0,0,1,0,0,1|2,0,0]=4 1109 B16R1.596 CC(=O)OCCCNCCc1ccccc1 34a_100000106460_100000042594 [0,0,1,0,0,1|2,0,0]=4 1110 B16R1.596 CC(=O)OCCCOCCc1ccccc1 34a_100000210268_100000042594 [0,0,1,0,0,1|2,0,0]=4 1111 B16R1.596 CC(=O)OCCCOCCc1ccccc1 7a_100000210268_100000042594 [0,0,1,0,0,1|2,0,0]=4 1112 B16R1.596 CC(=O)OCCCSCCc1ccccc1 62a_100000042594_100011218657 [0,0,1,0,0,1|2,0,0]=4 1113 B16R1.596 CC(=O)OCCCSCCc1ccccc1 62a_100000765856_100000042594 [0,0,1,0,0,1|2,0,0]=4 1114 B16R1.596 CC(=O)OCCNCCCc1ccccc1 34a_100000211184_100009814007 [0,0,1,0,0,1|2,0,0]=4 1115 B16R1.596 CC(=O)OCCOCCCc1ccccc1 34a_100000210828_100009814007 [0,0,1,0,0,1|2,0,0]=4 1116 B16R1.596 CC(=O)OCCOCCCc1ccccc1 7a_100000210828_100009814007 [0,0,1,0,0,1|2,0,0]=4 1117 B16R1.596 CC(=O)OCCSCCCc1ccccc1 62a_100000211621_100009814007 [0,0,1,0,0,1|2,0,0]=4 1118 B16R1.596 CC(=O)OCCSCCCc1ccccc1 62a_100009814007_100000211621 [0,0,1,0,0,1|2,0,0]=4 1119 B16R1.596 CC(=O)OCNCCCCc1ccccc1 34a_100015280158_100009813279 [0,0,1,0,0,1|2,0,0]=4 1120 B16R1.596 CC(=O)OCOCCCCc1ccccc1 34a_100000703073_100009813279 [0,0,1,0,0,1|2,0,0]=4 1121 B16R1.596 CC(=O)OCSCCCCc1ccccc1 62a_100000076356_100000701786 [0,0,1,0,0,1|2,0,0]=4 1122 B16R1.596 CC(=O)OCSCCCCc1ccccc1 62a_100000701786_100000076356 [0,0,1,0,0,1|2,0,0]=4 1123 B16R1.596 CC(=S)OCCCNCCc1ccccc1 2230a_100000106460_200135323944 [0,0,1,0,0,1|2,0,0]=4 1124 B16R1.596 CC(=S)OCCCNCCc1ccccc1 34a_100000106460_200135323944 [0,0,1,0,0,1|2,0,0]=4 1125 B16R1.596 CC(=S)OCCCOCCc1ccccc1 34a_100000210268_200135323944 [0,0,1,0,0,1|2,0,0]=4 1126 B16R1.596 CC(=S)OCCCOCCc1ccccc1 7a_100000210268_200135323944 [0,0,1,0,0,1|2,0,0]=4 1127 B16R1.596 CC(=S)OCCCSCCc1ccccc1 62a_100000765856_200135323944 [0,0,1,0,0,1|2,0,0]=4 1128 B16R1.596 CC(=S)OCCCSCCc1ccccc1 62a_200135323944_100011218657 [0,0,1,0,0,1|2,0,0]=4 1129 B16R1.596 C[C@@H](N)COCCCCCc1ccccc1 34a_100000737577_200011217138 [0,0,1,0,0,1|1,0,1]=4 1130 B16R1.596 NC(=O)CCCCCNCc1ccccc1 2230a_100015324214_100009817443 [0,0,1,0,0,1|2,0,0]=4 1131 B16R1.596 NC(=O)CCCCCNCc1ccccc1 34a_100015324214_100009817443 [0,0,1,0,0,1|2,0,0]=4 1132 B16R1.596 NC(=O)CCCCCOCc1ccccc1 34a_100000123541_100015291786 [0,0,1,0,0,1|2,0,0]=4 1133 B16R1.596 NC(=O)CCCCCOCc1ccccc1 34a_100000210790_100009817443 [0,0,1,0,0,1|2,0,0]=4 1134 B16R1.596 NC(=O)CCCCCOCc1ccccc1 7a_100000123541_100000211182 [0,0,1,0,0,1|2,0,0]=4 1135 B16R1.596 NC(=O)CCCCCOCc1ccccc1 7a_100000210790_100009817443 [0,0,1,0,0,1|2,0,0]=4 1136 B16R1.596 NC(=O)CCCCCSCc1ccccc1 62a_100000211182_100009817443 [0,0,1,0,0,1|2,0,0]=4 1137 B16R1.596 NC(=O)CCCCCSCc1ccccc1 62a_100009817443_100015291786 [0,0,1,0,0,1|2,0,0]=4 1138 B16R1.596 NC(=O)CCCCNCCc1ccccc1 34a_100000696515_100000765856 [0,0,1,0,0,1|2,0,0]=4 1139 B16R1.596 NC(=O)CCCCOCCc1ccccc1 34a_100012022536_100000765856 [0,0,1,0,0,1|2,0,0]=4 1140 B16R1.596 NC(=O)CCCCOCCc1ccccc1 7a_100012022536_100000765856 [0,0,1,0,0,1|2,0,0]=4 1141 B16R1.596 NC(=O)CCCNCCCc1ccccc1 34a_100000211184_100102525003 [0,0,1,0,0,1|2,0,0]=4 1142 B16R1.596 NC(=O)CCCNCCCc1ccccc1 34a_100000739312_100000211621 [0,0,1,0,0,1|2,0,0]=4 1143 B16R1.596 NC(=O)CCCOCCCc1ccccc1 34a_100000210828_100102525003 [0,0,1,0,0,1|2,0,0]=4 1144 B16R1.596 NC(=O)CCCOCCCc1ccccc1 7a_100000210828_100102525003 [0,0,1,0,0,1|2,0,0]=4 1145 B16R1.596 NC(=O)CCCSCCCc1ccccc1 62a_100000211621_100102525003 [0,0,1,0,0,1|2,0,0]=4 1146 B16R1.596 NC(=O)CCCSCCCc1ccccc1 62a_100102525003_100000211621 [0,0,1,0,0,1|2,0,0]=4 1147 B16R1.596 NC(=O)CCNCCCCc1ccccc1 2230a_100015280158_100000744528 [0,0,1,0,0,1|2,0,0]=4 1148 B16R1.596 NC(=O)CCNCCCCc1ccccc1 34a_100015280158_100000731001 [0,0,1,0,0,1|2,0,0]=4 1149 B16R1.596 NC(=O)CCOCCCCc1ccccc1 34a_100000703073_100000731001 [0,0,1,0,0,1|2,0,0]=4 1150 B16R1.596 NC(=O)CCOCCCCc1ccccc1 34a_100000757172_100000701786 [0,0,1,0,0,1|2,0,0]=4 1151 B16R1.596 NC(=O)CCOCCCCc1ccccc1 7a_100000703073_100000744528 [0,0,1,0,0,1|2,0,0]=4 1152 B16R1.596 NC(=O)CCOCCCCc1ccccc1 7a_100000757172_100000701786 [0,0,1,0,0,1|2,0,0]=4 1153 B16R1.596 NC(=O)CCSCCCCc1ccccc1 62a_100000701786_100000744528 [0,0,1,0,0,1|2,0,0]=4 1154 B16R1.596 NC(=O)CCSCCCCc1ccccc1 62a_100000744528_100000701786 [0,0,1,0,0,1|2,0,0]=4 1155 B16R1.596 NC(=O)CNCCCCCc1ccccc1 2230a_100000711301_200011217138 [0,0,1,0,0,1|2,0,0]=4 1156 B16R1.596 NC(=O)CNCCCCCc1ccccc1 2230a_100000750932_100000747473 [0,0,1,0,0,1|2,0,0]=4 1157 B16R1.596 NC(=O)CNCCCCCc1ccccc1 34a_100000750932_100000187820 [0,0,1,0,0,1|2,0,0]=4 1158 B16R1.596 NC(=O)COCCCCCc1ccccc1 34a_200011219639_100000187820 [0,0,1,0,0,1|1,0,0]=3 1159 B16R1.596 NC(=O)COCCCCCc1ccccc1 7a_200011219639_100000187820 [0,0,1,0,0,1|1,0,0]=3 1160 B16R1.596 NC(=O)COCCCCOc1ccccc1 34a_100000752354_100000187820 [0,0,1,0,0,1|2,0,0]=4 1161 B16R1.596 NC(=O)COCCCCOc1ccccc1 7a_100000752354_100000187820 [0,0,1,0,0,1|2,0,0]=4 1162 B16R1.596 NC(=O)COCCCNCc1ccccc1 34a_100000185501_100000187820 [0,0,1,0,0,1|2,0,0]=4 1163 B16R1.596 NC(=O)COCCCOCc1ccccc1 34a_100000691849_100000187820 [0,0,1,0,0,1|2,0,0]=4 1164 B16R1.596 NC(=O)COCCCOCc1ccccc1 7a_100000691849_100000187820 [0,0,1,0,0,1|2,0,0]=4 1165 B16R1.596 NC(=O)COCCNCCc1ccccc1 2230a_100000106460_100000076697 [0,0,1,0,0,1|2,0,0]=4 1166 B16R1.596 NC(=O)COCCNCCc1ccccc1 34a_100000106460_100000076697 [0,0,1,0,0,1|2,0,0]=4 1167 B16R1.596 NC(=O)COCCOCCc1ccccc1 34a_100000210268_100000076697 [0,0,1,0,0,1|2,0,0]=4 1168 B16R1.596 NC(=O)COCCOCCc1ccccc1 7a_100000210268_100000076697 [0,0,1,0,0,1|2,0,0]=4 1169 B16R1.596 NC(=O)COCCSCCc1ccccc1 62a_100000076697_100011218657 [0,0,1,0,0,1|2,0,0]=4 1170 B16R1.596 NC(=O)COCCSCCc1ccccc1 62a_100000765856_100000076697 [0,0,1,0,0,1|2,0,0]=4 1171 B16R1.596 NC(=O)CSCCCCCc1ccccc1 62a_100000747473_200011217138 [0,0,1,0,0,1|1,1,0]=4 1172 B16R1.596 NC(=O)CSCCCCCc1ccccc1 62a_200011217138_100000747473 [0,0,1,0,0,1|1,1,0]=4 1173 B16R1.596 NC(=O)NCCNCCCc1ccccc1 2230a_100000211184_200000034859 [0,0,1,0,0,1|2,0,0]=4 1174 B16R1.596 NC(=O)NCCNCCCc1ccccc1 34a_100020590234_100000211621 [0,0,1,0,0,1|2,0,0]=4 1175 B16R1.596 NC(=O)NCCOCCCc1ccccc1 34a_100000181757_100000211621 [0,0,1,0,0,1|2,0,0]=4 1176 B16R1.596 NC(=O)NCCOCCCc1ccccc1 7a_100000210828_200000034859 [0,0,1,0,0,1|2,0,0]=4 1177 B16R1.596 NC(=O)NCCSCCCc1ccccc1 62a_100000211621_200000034859 [0,0,1,0,0,1|2,0,0]=4 1178 B16R1.596 NC(=O)NCCSCCCc1ccccc1 62a_200000034859_100000211621 [0,0,1,0,0,1|2,0,0]=4 1179 B16R1.596 NC(=O)OCCNCCCc1ccccc1 34a_100000211184_200011214921 [0,0,1,0,0,1|1,0,0]=3 1180 B16R1.596 NC(=O)OCCNCCCc1cccnc1 34a_100011532358_200011214921 [0,0,1,0,0,1|2,0,0]=4 1181 B16R1.596 NC(=O)OCCNCCOc1ccccc1 34a_100000174943_200011214921 [0,0,1,0,0,1|2,0,0]=4 1182 B16R1.596 NC(=O)OCCOCCCc1ccccc1 34a_100000210828_200011214921 [0,0,1,0,0,1|1,0,0]=3 1183 B16R1.596 NC(=O)OCCOCCCc1ccccc1 7a_100000210828_200011214921 [0,0,1,0,0,1|1,0,0]=3 1184 B16R1.596 NC(=O)OCCOCCCc1ccccc1 7a_100000766696_100000211621 [0,0,1,0,0,1|1,0,0]=3 1185 B16R1.596 NC(=O)OCCOCCCc1ccccn1 34a_100011215068_200011214921 [0,0,1,0,0,1|2,0,0]=4 1186 B16R1.596 NC(=O)OCCOCCCc1cccnc1 34a_100000211284_200011214921 [0,0,1,0,0,1|2,0,0]=4 1187 B16R1.596 NC(=O)OCCOCCCc1ccncc1 34a_100000210659_200011214921 [0,0,1,0,0,1|2,0,0]=4 1188 B16R1.596 NC(=O)OCCOCCNc1ccccc1 34a_100000211345_200011214921 [0,0,1,0,0,1|2,0,0]=4 1189 B16R1.596 NC(=O)OCCOCCOc1ccccc1 34a_100000210260_200011214921 [0,0,1,0,0,1|2,0,0]=4 1190 B16R1.596 NC(=O)OCCOCCOc1ccccc1 7a_100000210260_200011214921 [0,0,1,0,0,1|2,0,0]=4 1191 B16R1.596 NC(=O)OCCOCCOc1ccccc1 7a_100000766696_100000184471 [0,0,1,0,0,1|2,0,0]=4 1192 B16R1.596 NC(=O)OCCOCCSc1ccccc1 7a_100000230494_200011214921 [0,0,1,0,0,1|2,0,0]=4 1193 B16R1.596 NC(=O)OCCOCCSc1ccccc1 7a_100000766696_100000246102 [0,0,1,0,0,1|2,0,0]=4 1194 B16R1.596 NC(=O)OCCSCCCc1ccccc1 62a_100000211621_200011214921 [0,0,1,0,0,1|1,0,0]=3 1195 B16R1.596 NC(=O)OCCSCCCc1ccccc1 62a_200011214921_100000211621 [0,0,1,0,0,1|1,0,0]=3 1196 B16R1.596 NC(=O)OCCSCCOc1ccccc1 62a_100000184471_200011214921 [0,0,1,0,0,1|2,0,0]=4 1197 B16R1.596 NC(=O)OCCSCCOc1ccccc1 62a_200011214921_100000184471 [0,0,1,0,0,1|2,0,0]=4 1198 B16R1.596 NC(=O)OCCSCCSc1ccccc1 62a_100000246102_200011214921 [0,0,1,0,0,1|2,0,0]=4 1199 B16R1.596 NC(=O)OCCSCCSc1ccccc1 62a_200011214921_100000246102 [0,0,1,0,0,1|2,0,0]=4 1200 B16R1.596 NC(=O)OCCSCOCc1ccccc1 62a_100000763385_200011214921 [0,0,1,0,0,1|2,0,0]=4 1201 B16R1.596 NC(=O)OCCSCOCc1ccccc1 62a_200011214921_100000763385 [0,0,1,0,0,1|2,0,0]=4 1202 B16R1.596 NC(=O)OCCSCSCc1ccccc1 62a_200011214921_200011217039 [0,0,1,0,0,1|2,0,0]=4 1203 B16R1.596 NC(=O)OCCSCSCc1ccccc1 62a_200011217039_200011214921 [0,0,1,0,0,1|2,0,0]=4 1204 B16R1.596 O=C([O-])COCCCCCc1ccccc1 34a_200011219639_100020667443 [0,0,1,0,0,1|2,0,0]=4 1205 B16R1.146 C=CC[C@H](CO)NCCCc1ccccc1 2230a_100020615467_100000211621 [0,0,1,0,0,1|2,0,0]=4 1206 B16R2.2257 C1=CCC(C1)COCCc2ccccc2 34a_100000688395_100000765856 [1,0,0,0,0,1|2,0,0]=4 1207 B16R2.2257 C1=CCC(C1)NCCCc2ccccc2 2230a_100015188752_100000211621 [1,0,0,0,0,1|2,0,0]=4 1208 B16R2.2257 c1ccc(cc1)CCCNC2CCOC2 2230a_100000211184_100000731011 [1,0,0,0,0,1|1,0,1]=4 1209 B16R2.2257 c1ccc(cc1)CCCNC2CCOC2 270004a_100000211184_100000752484 [1,0,0,0,0,1|1,0,1]=4 1210 B16R2.2257 c1ccc(cc1)CCCNC2CCOC2 34a_100000211184_100000690089 [1,0,0,0,0,1|1,0,1]=4 1211 B16R2.2257 c1ccc(cc1)CCCN[C@@H]2CCOC2 2230a_200015188469_100000211621 [1,0,0,0,0,1|1,0,1]=4 1212 B16R2.2257 c1ccc(cc1)CCCN[C@H]2CCOC2 2230a_100015188467_100000211621 [1,0,0,0,0,1|1,0,1]=4 1213 B16R2.2257 c1ccc(cc1)CCCN[C@H]2CCOC2 34a_100015188467_100000211621 [1,0,0,0,0,1|1,0,1]=4 1214 B16R2.2257 c1ccc(cc1)CCCOC2CCOC2 34a_100000210828_100000690089 [1,0,0,0,0,1|1,0,1]=4 1215 B16R2.2257 c1ccc(cc1)CCCOC2CCOC2 7a_100000210828_100000731011 [1,0,0,0,0,1|1,0,1]=4 1216 B16R2.2257 c1ccc(cc1)CCCO[C@H]2CCOC2 34a_100000717292_100000211621 [1,0,0,0,0,1|1,0,1]=4 1217 B16R2.2257 c1ccc(cc1)CCCSC2CCOC2 62a_100000211621_100000690089 [1,0,0,0,0,1|1,0,1]=4 1218 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 2230a_100000106460_100000702531 [1,0,0,0,0,1|1,0,1]=4 1219 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 2230a_100000737293_100000765856 [1,0,0,0,0,1|1,0,1]=4 1220 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 34a_100000106460_100011261433 [1,0,0,0,0,1|1,0,1]=4 1221 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 34a_100000737293_100000765856 [1,0,0,0,0,1|1,0,1]=4 1222 B16R2.2257 c1ccc(cc1)CCNCc2cocn2 270004a_100000106460_100000050382 [1,0,0,0,0,1|0,0,2]=4 1223 B16R2.2257 c1ccc(cc1)CCNCc2ncon2 34a_100000106460_100000233494 [1,0,0,0,0,1|1,0,1]=4 1224 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 34a_100000210268_100011261433 [1,0,0,0,0,1|1,0,1]=4 1225 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 34a_100000740260_100000765856 [1,0,0,0,0,1|1,0,1]=4 1226 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 7a_100000210268_100000702531 [1,0,0,0,0,1|1,0,1]=4 1227 B16R2.2257 c1ccc(cc1)CCOCC2COCO2 34a_100011216627_100000765856 [1,0,0,0,0,1|1,0,1]=4 1228 B16R2.2257 c1ccc(cc1)CCOCc2ncon2 34a_100000210268_100000233494 [1,0,0,0,0,1|1,0,1]=4 1229 B16R2.2257 c1ccc(cc1)CCSCC2CCOC2 62a_100000702531_100011218657 [1,0,0,0,0,1|1,0,1]=4 1230 B16R2.2257 c1ccc(cc1)CCSCC2CCOC2 62a_100000765856_100000702531 [1,0,0,0,0,1|1,0,1]=4 1231 B16R2.2257 c1ccc(cc1)CCSCc2ncon2 62a_100000233494_100011218657 [1,0,0,0,0,1|1,0,1]=4 1232 B16R2.2257 c1ccc(cc1)CCSCc2ncon2 62a_100000765856_100000233494 [1,0,0,0,0,1|1,0,1]=4 1233 B16R2.2257 c1ccc(cc1)COCCC2CCOC2 34a_100011879284_100015291786 [1,0,0,0,0,1|1,0,1]=4 1234 B18R2.3701 O=C1N[C@H](CO1)CNCCCc2ccccc2 2230a_100000211184_100015307671 [0,0,0,0,0,2|1,0,1]=4 1235 B18R2.3701 O=C1N[C@H](CO1)CNCCCc2ccccc2 34a_100000211184_100015307671 [0,0,0,0,0,2|1,0,1]=4 1236 B18R2.3701 O=C1N[C@H](CO1)CNCCOc2ccccc2 2230a_100000174943_100015307671 [0,0,0,0,0,2|1,0,1]=4 1237 B18R2.3701 O=C1N[C@H](CO1)CNCCOc2ccccc2 34a_100000174943_100015307671 [0,0,0,0,0,2|1,0,1]=4 1238 B18R2.3701 O=C1N[C@H](CO1)CNCCSc2ccccc2 2230a_100000189519_100015307671 [0,0,0,0,0,2|1,0,1]=4 1239 B18R2.3701 O=C1N[C@H](CO1)COCCCc2ccccc2 34a_100000210828_100015307671 [0,0,0,0,0,2|1,0,1]=4 1240 B18R2.3701 O=C1N[C@H](CO1)COCCCc2ccccc2 7a_100000210828_100015307671 [0,0,0,0,0,2|1,0,1]=4 1241 B18R2.3701 O=C1N[C@H](CO1)COCCNc2ccccc2 34a_100000211345_100015307671 [0,0,0,0,0,2|1,0,1]=4 1242 B18R2.3701 O=C1N[C@H](CO1)COCCOc2ccccc2 34a_100000210260_100015307671 [0,0,0,0,0,2|1,0,1]=4 1243 B18R2.3701 O=C1N[C@H](CO1)COCCOc2ccccc2 7a_100000210260_100015307671 [0,0,0,0,0,2|1,0,1]=4 1244 B18R2.3701 O=C1N[C@H](CO1)COCCSc2ccccc2 7a_100000230494_100015307671 [0,0,0,0,0,2|1,0,1]=4 1245 B18R2.3701 O=C1N[C@H](CO1)CSCCCc2ccccc2 62a_100000211621_100015307671 [0,0,0,0,0,2|1,0,1]=4 1246 B18R2.3701 O=C1N[C@H](CO1)CSCCCc2ccccc2 62a_100015307671_100000211621 [0,0,0,0,0,2|1,0,1]=4 1247 B18R2.3701 O=C1N[C@H](CO1)CSCCOc2ccccc2 62a_100000184471_100015307671 [0,0,0,0,0,2|1,0,1]=4 1248 B18R2.3701 O=C1N[C@H](CO1)CSCCOc2ccccc2 62a_100015307671_100000184471 [0,0,0,0,0,2|1,0,1]=4 1249 B18R2.3701 O=C1N[C@H](CO1)CSCCSc2ccccc2 62a_100000246102_100015307671 [0,0,0,0,0,2|1,0,1]=4 1250 B18R2.3701 O=C1N[C@H](CO1)CSCCSc2ccccc2 62a_100015307671_100000246102 [0,0,0,0,0,2|1,0,1]=4 1251 B18R2.3701 O=C1N[C@H](CO1)CSCOCc2ccccc2 62a_100000763385_100015307671 [0,0,0,0,0,2|1,0,1]=4 1252 B18R2.3701 O=C1N[C@H](CO1)CSCOCc2ccccc2 62a_100015307671_100000763385 [0,0,0,0,0,2|1,0,1]=4 1253 B18R2.3701 O=C1N[C@H](CO1)CSCSCc2ccccc2 62a_100015307671_200011217039 [0,0,0,0,0,2|1,0,1]=4 1254 B18R2.3701 O=C1N[C@H](CO1)CSCSCc2ccccc2 62a_200011217039_100015307671 [0,0,0,0,0,2|1,0,1]=4 1255 B18R2.3701 O=C1OCC(O1)CNCCCc2ccccc2 34a_100000211184_100000073702 [0,0,0,0,0,2|2,0,0]=4 1256 B18R2.3701 O=C1OCC(O1)CNCCOc2ccccc2 34a_100000174943_100000073702 [0,0,0,0,0,2|2,0,0]=4 1257 B18R2.3701 O=C1OCC(O1)COCCCc2ccccc2 34a_100000210828_100000073702 [0,0,0,0,0,2|2,0,0]=4 1258 B18R2.3701 O=C1OCC(O1)COCCNc2ccccc2 34a_100000211345_100000073702 [0,0,0,0,0,2|2,0,0]=4 1259 B18R2.3701 O=C1OCC(O1)COCCOc2ccccc2 34a_100000210260_100000073702 [0,0,0,0,0,2|2,0,0]=4 1260 B18R2.3701 O=C1OCC(O1)CSCCCc2ccccc2 62a_100000073702_100000211621 [0,0,0,0,0,2|2,0,0]=4 1261 B18R2.3701 O=C1OCC(O1)CSCCCc2ccccc2 62a_100000211621_100000073702 [0,0,0,0,0,2|2,0,0]=4 1262 B18R2.3701 O=C1OCC(O1)CSCCOc2ccccc2 62a_100000073702_100000184471 [0,0,0,0,0,2|2,0,0]=4 1263 B18R2.3701 O=C1OCC(O1)CSCCOc2ccccc2 62a_100000184471_100000073702 [0,0,0,0,0,2|2,0,0]=4 1264 B18R2.3701 O=C1OCC(O1)CSCCSc2ccccc2 62a_100000073702_100000246102 [0,0,0,0,0,2|2,0,0]=4 1265 B18R2.3701 O=C1OCC(O1)CSCCSc2ccccc2 62a_100000246102_100000073702 [0,0,0,0,0,2|2,0,0]=4 1266 B18R2.3701 O=C1OCC(O1)CSCOCc2ccccc2 62a_100000073702_100000763385 [0,0,0,0,0,2|2,0,0]=4 1267 B18R2.3701 O=C1OCC(O1)CSCOCc2ccccc2 62a_100000763385_100000073702 [0,0,0,0,0,2|2,0,0]=4 1268 B18R2.3701 O=C1OCC(O1)CSCSCc2ccccc2 62a_100000073702_200011217039 [0,0,0,0,0,2|2,0,0]=4 1269 B18R2.3701 O=C1OCC(O1)CSCSCc2ccccc2 62a_200011217039_100000073702 [0,0,0,0,0,2|2,0,0]=4 1270 B18R2.3701 O=C1OCC(O1)NCCCCc2ccccc2 34a_100015280158_100000032252 [0,0,0,0,0,2|2,0,0]=4 1271 B18R2.3701 O=C1OCC(O1)NCCCOc2ccccc2 34a_100000216521_100000032252 [0,0,0,0,0,2|2,0,0]=4 1272 B18R2.3701 O=C1OCC(O1)NCCOCc2ccccc2 34a_100000753106_100000032252 [0,0,0,0,0,2|2,0,0]=4 1273 B18R2.3701 O=C1OCC(O1)NCCSCc2ccccc2 34a_100000189534_100000032252 [0,0,0,0,0,2|2,0,0]=4 1274 B18R2.3701 O=C1OCC(O1)OCCCCc2ccccc2 34a_100000703073_100000032252 [0,0,0,0,0,2|2,0,0]=4 1275 B18R2.3701 O=C1OCC(O1)OCCCNc2ccccc2 34a_100000212590_100000032252 [0,0,0,0,0,2|2,0,0]=4 1276 B18R2.3701 O=C1OCC(O1)OCCCOc2ccccc2 34a_100011215863_100000032252 [0,0,0,0,0,2|2,0,0]=4 1277 B18R2.3701 O=C1OCC(O1)OCCNCc2ccccc2 34a_100000180844_100000032252 [0,0,0,0,0,2|2,0,0]=4 1278 B18R2.3701 O=C1OCC(O1)OCCOCc2ccccc2 34a_100000759325_100000032252 [0,0,0,0,0,2|2,0,0]=4 1279 B18R2.3701 O=C1OCC(O1)OCCSCc2ccccc2 34a_100011205989_100000032252 [0,0,0,0,0,2|2,0,0]=4 1280 B18R2.3701 O=C1OCC(O1)SCCCCc2ccccc2 62a_100000701786_100000032252 [0,0,0,0,0,2|2,0,0]=4 1281 B18R2.3701 O=C1OCC(O1)SCCCOc2ccccc2 62a_100000199009_100000032252 [0,0,0,0,0,2|2,0,0]=4 1282 B18R2.3701 O=C1OCC(O1)SCCCSc2ccccc2 62a_200011203293_100000032252 [0,0,0,0,0,2|2,0,0]=4 1283 B18R2.3701 O=C1OCC(O1)SCCOCc2ccccc2 62a_100000234347_100000032252 [0,0,0,0,0,2|2,0,0]=4 1284 B18R2.3701 O=C1OCC(O1)SCCSCc2ccccc2 62a_200011297719_100000032252 [0,0,0,0,0,2|2,0,0]=4 1285 B18R2.6483 O=C1COCC(N1)COCCc2ccccc2 34a_200000101122_100000765856 [0,0,0,0,0,2|1,0,1]=4