0 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000210063_100000730704 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000730704_100000210063 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000728582_100000730704 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000730704_100000728582 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.252 C=C(C)CSCc1ccncc1 62a_100000748629_100015193705 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.252 C=C(C)CSCc1ccncc1 62a_100015193705_100000211660 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.252 C=C(F)COCc1cccnc1 34a_200010262243_100000733263 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000042424_100000741622 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000741622_100000042424 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.252 C=C(F)CSCc1ccncc1 62a_100000042424_100015193705 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.252 C=C(F)CSCc1ccncc1 62a_100015193705_100000042424 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,0|1,0,2]=3 50 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,0|1,0,2]=3 51 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,0|2,0,2]=4 52 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,0|1,0,2]=3 53 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,0|1,0,0]=1 54 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,0|1,0,0]=1 55 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,0|2,0,0]=2 56 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,0|2,0,0]=2 57 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,0|2,0,0]=2 58 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,0|2,0,0]=2 60 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,0|2,0,0]=2 63 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,0|2,0,0]=2 64 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,0|2,0,0]=2 66 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,0|3,0,0]=3 67 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.252 CC(=O)CCSc1ccnnc1 62a_100000053229_100000732662 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.252 CC(=O)CCSc1ccnnc1 62a_100000732662_100000053229 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.252 CC(=O)CCSc1cncnc1 62a_100000053229_100011206942 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.252 CC(=O)CCSc1cncnc1 62a_100011206942_100000053229 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,0|2,0,0]=2 85 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,0|2,0,0]=2 86 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,0|3,0,0]=3 87 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,0|2,0,0]=2 93 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,0|2,0,0]=2 94 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,0|3,0,0]=3 95 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,0|2,0,0]=2 96 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,0|2,0,0]=2 97 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,0|2,0,0]=2 98 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,0|2,0,0]=2 99 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,0|3,0,0]=3 100 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,0|3,0,0]=3 104 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,0|3,0,0]=3 105 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,0|3,0,0]=3 106 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,0|3,0,0]=3 107 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,0|3,0,0]=3 108 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,0|3,0,0]=3 109 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,0|3,0,0]=3 110 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,0|3,0,0]=3 111 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,0|3,0,0]=3 117 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,0|3,0,0]=3 121 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,0|3,0,0]=3 122 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,0|4,0,0]=4 124 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,0|3,0,0]=3 125 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,0|3,0,0]=3 126 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,0|3,0,1]=4 135 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,0,0,0,0,0|3,0,1]=4 145 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,0,0,0,0|3,0,1]=4 148 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,0,0,0,0,0|3,0,1]=4 150 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,0,0,0,0,0|3,0,1]=4 152 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,0,0,0,0,0|3,0,1]=4 153 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,0,0,0,0,0|3,0,1]=4 160 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,0,0,0,0|2,0,1]=3 161 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,0|2,0,1]=3 162 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,0|2,0,1]=3 163 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,0,0,0,0|2,0,1]=3 167 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,0,0,0,0|2,0,1]=3 168 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,0,0,0,0,0|3,0,1]=4 171 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,0,0,0,0,0|3,0,1]=4 172 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,0,0,0,0|2,0,1]=3 175 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,0,0,0,0|2,0,1]=3 176 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,0,0,0,0|2,0,1]=3 177 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,0,0,0,0|2,0,1]=3 178 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,0|2,0,1]=3 179 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,0,0,0,0|2,0,1]=3 180 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,0,0,0,0,0|3,0,1]=4 181 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,0,0,0,0,0|3,0,1]=4 182 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,0,0,0,0,0|3,0,1]=4 183 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,0|3,0,1]=4 184 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,0,0,0,0,0|3,0,1]=4 185 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,0,0,0,0,0|3,0,1]=4 186 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,0,0,0,0,0|3,0,1]=4 187 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,0,0,0,0,0|3,0,1]=4 188 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,0,0,0,0,0|3,0,1]=4 189 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,0,0,0,0,0|3,0,1]=4 190 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,0|2,0,1]=3 191 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,0|2,0,1]=3 192 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,0|2,0,1]=3 193 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,0|2,0,1]=3 194 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,0,0,0,0|3,0,1]=4 195 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,0,0,0,0|3,0,1]=4 196 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,0,0,0,0,0|3,0,1]=4 197 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,0,0,0,0,0|3,0,1]=4 198 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,0,0,0,0,0|3,0,1]=4 199 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,0,0,0,0,0|3,0,1]=4 200 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,0,0,0,0,0|3,0,0]=3 201 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,0,0,0,0,0|3,0,0]=3 202 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,0,0,0,0,0|3,0,0]=3 203 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,0,0,0,0,0|3,0,0]=3 204 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,0,0,0,0,0|4,0,0]=4 205 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,0,0,0,0,0|4,0,0]=4 206 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,0,0,0,0,0|4,0,0]=4 207 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,0,0,0,0,0|4,0,0]=4 208 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,0,0,0,0,0|4,0,0]=4 209 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,0,0,0,0,0|4,0,0]=4 210 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,0,0,0,0,0|4,0,0]=4 211 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,0,0,0,0,0|4,0,0]=4 212 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,0,0,0,0,0|4,0,0]=4 213 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,0,0,0,0,0|4,0,0]=4 214 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,0,0,0,0,0|3,0,0]=3 217 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,0,0,0,0,0|3,0,0]=3 218 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,0,0,0,0,0|4,0,0]=4 220 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,0,0,0,0,0|3,0,1]=4 221 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,0,0,0,0,0|3,0,1]=4 222 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,0,0,0,0|2,0,1]=3 223 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,0,0,0,0|2,0,1]=3 224 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,0|2,0,1]=3 225 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,0|2,0,1]=3 226 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,0|2,0,1]=3 227 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,0|2,0,1]=3 228 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,0,0,0,0|3,0,1]=4 229 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,0,0,0,0|3,0,1]=4 230 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,0,0,0,0,0|3,0,1]=4 231 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,0,0,0,0,0|3,0,1]=4 232 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,0,0,0,0,0|3,0,1]=4 233 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,0,0,0,0,0|3,0,1]=4 234 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,0,0,0,0,0|3,0,1]=4 235 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,0,0,0,0,0|3,0,1]=4 236 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,0,0,0,0,0|3,0,1]=4 237 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,0,0,0,0,0|3,0,1]=4 238 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,0,0,0,0,0|3,0,1]=4 239 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,0,0,0,0,0|3,0,1]=4 240 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,0,0,0,0,0|3,0,1]=4 241 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,0,0,0,0,0|3,0,1]=4 242 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,0,0,0,0,0|3,0,1]=4 243 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,0,0,0,0,0|3,0,1]=4 244 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,0|2,0,0]=2 245 B12R1.252 NC(=O)CCNc1cccnn1 27a_100000740010_100016991348 [0,0,0,0,0,0|4,0,0]=4 246 B12R1.252 NC(=O)CCNc1ccncn1 27a_100000740010_100000703185 [0,0,0,0,0,0|4,0,0]=4 247 B12R1.252 NC(=O)CCNc1cnccn1 27a_100000740010_100000211759 [0,0,0,0,0,0|4,0,0]=4 248 B12R1.252 NC(=O)CCNc1ncccn1 27a_100000740010_100000211032 [0,0,0,0,0,0|4,0,0]=4 249 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,0|2,0,0]=2 250 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,0|2,0,0]=2 251 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,0|3,0,0]=3 252 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,0|3,0,0]=3 253 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,0|3,0,0]=3 254 B12R1.252 NC(=O)CCOc1ccnnc1 34a_100015204005_100000731001 [0,0,0,0,0,0|4,0,0]=4 255 B12R1.252 NC(=O)CCOc1cncnc1 7a_100000754086_100000744528 [0,0,0,0,0,0|4,0,0]=4 256 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,0|2,0,0]=2 257 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,0|2,0,0]=2 258 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,0|3,0,0]=3 259 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,0|3,0,0]=3 260 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,0|3,0,0]=3 261 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,0|3,0,0]=3 262 B12R1.252 NC(=O)CCSc1cccnn1 62a_100000744528_100016991348 [0,0,0,0,0,0|4,0,0]=4 263 B12R1.252 NC(=O)CCSc1cccnn1 62a_100016991348_100000744528 [0,0,0,0,0,0|4,0,0]=4 264 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,0,0,0,0,0|3,0,0]=3 265 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,0,0,0,0,0|3,0,0]=3 266 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000703185_100000744528 [0,0,0,0,0,0|4,0,0]=4 267 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000744528_100000703185 [0,0,0,0,0,0|4,0,0]=4 268 B12R1.252 NC(=O)CCSc1ccnnc1 62a_100000732662_100000744528 [0,0,0,0,0,0|4,0,0]=4 269 B12R1.252 NC(=O)CCSc1ccnnc1 62a_100000744528_100000732662 [0,0,0,0,0,0|4,0,0]=4 270 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000211759_100000744528 [0,0,0,0,0,0|4,0,0]=4 271 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000744528_100000211759 [0,0,0,0,0,0|4,0,0]=4 272 B12R1.252 NC(=O)CCSc1cncnc1 62a_100000744528_100011206942 [0,0,0,0,0,0|4,0,0]=4 273 B12R1.252 NC(=O)CCSc1cncnc1 62a_100011206942_100000744528 [0,0,0,0,0,0|4,0,0]=4 274 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000211032_100000744528 [0,0,0,0,0,0|4,0,0]=4 275 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000744528_100000211032 [0,0,0,0,0,0|4,0,0]=4 276 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,0|2,0,0]=2 277 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,0|2,0,0]=2 278 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,0|2,0,0]=2 279 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,0|3,0,0]=3 280 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,0|3,0,0]=3 281 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,0,0,0,0,0|4,0,0]=4 282 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,0,0,0,0,0|4,0,0]=4 283 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,0|3,0,0]=3 284 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,0,0,0,0,0|4,0,0]=4 285 B12R1.252 NC(=O)CNCc1cncnc1 2230a_100000711301_100015196519 [0,0,0,0,0,0|4,0,0]=4 286 B12R1.252 NC(=O)CNCc1cncnc1 2230a_100011243677_100000747473 [0,0,0,0,0,0|4,0,0]=4 287 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,0,0,0,0,0|4,0,0]=4 288 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,0|2,0,0]=2 289 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,0|2,0,0]=2 290 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,0|2,0,0]=2 291 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,0|2,0,0]=2 292 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,0|3,0,0]=3 293 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,0|3,0,0]=3 294 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,0|3,0,0]=3 295 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,0|3,0,0]=3 296 B12R1.252 NC(=O)CSCc1cccnn1 62a_100000747473_100016990269 [0,0,0,0,0,0|4,0,0]=4 297 B12R1.252 NC(=O)CSCc1cccnn1 62a_100016990269_100000747473 [0,0,0,0,0,0|4,0,0]=4 298 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,0|3,0,0]=3 299 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,0|3,0,0]=3 300 B12R1.252 NC(=O)CSCc1cnccn1 62a_100000747473_100016995436 [0,0,0,0,0,0|4,0,0]=4 301 B12R1.252 NC(=O)CSCc1cnccn1 62a_100016995436_100000747473 [0,0,0,0,0,0|4,0,0]=4 302 B12R1.252 NC(=O)CSCc1cncnc1 62a_100000747473_100015196519 [0,0,0,0,0,0|4,0,0]=4 303 B12R1.252 NC(=O)CSCc1cncnc1 62a_100015196519_100000747473 [0,0,0,0,0,0|4,0,0]=4 304 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000703007_100000747473 [0,0,0,0,0,0|4,0,0]=4 305 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000747473_100000703007 [0,0,0,0,0,0|4,0,0]=4 306 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,0|1,0,0]=1 307 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,0|2,0,0]=2 308 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,0|2,0,0]=2 309 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,0|3,0,0]=3 310 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,0|2,0,0]=2 311 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,0|3,0,0]=3 312 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,0,0,0,0,0|3,0,0]=3 313 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,0|3,0,0]=3 314 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,0|1,0,1]=2 315 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,0|1,0,1]=2 316 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,0|1,0,1]=2 317 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,0|1,0,1]=2 318 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,0|2,0,1]=3 319 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,0|2,0,1]=3 320 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,0|2,0,1]=3 321 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,0|2,0,1]=3 322 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100016990269_100020667443 [0,0,0,0,0,0|3,0,1]=4 323 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100020667443_100016990269 [0,0,0,0,0,0|3,0,1]=4 324 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,0|2,0,1]=3 325 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,0|2,0,1]=3 326 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100016995436_100020667443 [0,0,0,0,0,0|3,0,1]=4 327 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100020667443_100016995436 [0,0,0,0,0,0|3,0,1]=4 328 B12R1.252 O=C([O-])CSCc1cncnc1 62a_100015196519_100020667443 [0,0,0,0,0,0|3,0,1]=4 329 B12R1.252 O=C([O-])CSCc1cncnc1 62a_100020667443_100015196519 [0,0,0,0,0,0|3,0,1]=4 330 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100000703007_100020667443 [0,0,0,0,0,0|3,0,1]=4 331 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100020667443_100000703007 [0,0,0,0,0,0|3,0,1]=4 332 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,0,0,0,0,0|2,0,1]=3 333 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,0|2,0,1]=3 334 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,0|2,0,1]=3 335 B12R1.252 O=[N+]([O-])CSCc1ccccn1 62a_100000721315_100000761209 [0,0,0,0,0,0|3,0,1]=4 336 B12R1.252 O=[N+]([O-])CSCc1cccnc1 62a_100000741622_100000761209 [0,0,0,0,0,0|3,0,1]=4 337 B12R1.252 O=[N+]([O-])CSCc1ccncc1 62a_100015193705_100000761209 [0,0,0,0,0,0|3,0,1]=4 338 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,0|1,0,2]=3 339 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,0|2,0,2]=4 340 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,0|1,0,0]=1 341 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,0|2,0,0]=2 342 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,0|2,0,0]=2 343 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,0|2,0,0]=2 344 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,0|2,0,0]=2 345 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,0|2,0,0]=2 346 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,0|2,0,0]=2 347 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,0|3,0,0]=3 348 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,0,0,0,0,0|2,0,1]=4 354 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,0,0,0,0,0|2,0,1]=4 355 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,0,0,0,0,0|2,0,1]=4 356 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,0,0,0,0,0|2,0,1]=4 357 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,0,0,0,0,0|2,0,1]=4 358 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,0,0,0,0,0|2,0,1]=4 359 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,0,0,0,0,0|2,0,1]=4 360 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,0,0,0,0,0|2,0,1]=4 361 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|2,0,1]=4 362 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|2,0,1]=4 364 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,0,0,0,0,0|2,0,0]=3 367 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,0,0,0,0,0|2,0,0]=3 369 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,0,0,0,0,0|2,0,0]=3 373 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,0,0,0,0,0|2,0,0]=3 381 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,0,0,0,0,0|2,0,0]=3 382 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,0,0,0,0,0|2,0,0]=3 383 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,0,0,0,0,0|2,0,0]=3 384 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [1,0,0,0,0,0|3,0,0]=4 388 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|2,0,0]=3 390 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|2,0,0]=3 391 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|2,0,0]=3 392 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [1,0,0,0,0,0|3,0,0]=4 394 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,0|2,0,0]=3 395 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,0|2,0,0]=3 396 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|2,0,1]=4 403 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|2,0,1]=4 404 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|2,0,1]=4 405 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|2,0,1]=4 406 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|2,0,1]=4 407 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,0,0,0,0,0|3,0,0]=4 408 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,0,0,0,0|2,0,1]=4 409 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,0,0,0,0|2,0,1]=4 410 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,0,0,0,0|2,0,1]=4 411 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,0,0,0,0|2,0,1]=4 412 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,0,0,0,0|2,0,1]=4 413 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,0,0,0,0|2,0,1]=4 414 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,0,0,0,0|2,0,1]=4 415 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,0,0,0,0|2,0,1]=4 416 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,0,0,0,0|2,0,1]=4 417 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,0,0,0,0|2,0,1]=4 418 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,0,0,0,0|2,0,1]=4 419 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,0,0,0,0|2,0,1]=4 420 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,0,0,0,0|2,0,1]=4 421 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,0,0,0,0|2,0,1]=4 422 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,0,0,0,0|2,0,1]=4 423 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,0,0,0,0|2,0,1]=4 424 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,0,0,0,0|2,0,1]=4 425 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,0,0,0|2,0,1]=4 427 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 428 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,0,0,0,0|2,0,1]=4 429 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,0,0,0,0|2,0,1]=4 430 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,0,0,0|2,0,0]=3 431 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,0,0,0|2,0,0]=3 432 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,0,0,0|2,0,0]=3 433 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,0,0,0|2,0,0]=3 434 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,0,0,0|2,0,0]=3 435 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,0,0,0,0,0|3,0,0]=4 436 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,0,0,0,0,0|3,0,0]=4 437 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,0,0,0,0,0|3,0,0]=4 438 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,0,0,0,0,0|3,0,0]=4 441 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,0,0,0,0,0|3,0,0]=4 442 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,0,0,0,0,0|3,0,0]=4 443 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,0,0,0,0,0|3,0,0]=4 444 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,0,0,0,0,0|3,0,0]=4 445 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,0,0,0,0,0|3,0,0]=4 446 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,0,0,0,0,0|3,0,0]=4 447 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,0,0,0,0,0|3,0,0]=4 448 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,0,0,0,0|3,0,0]=4 450 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,0,0,0,0|3,0,0]=4 451 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,0,0,0,0|3,0,0]=4 452 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|2,0,0]=3 453 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|2,0,0]=3 454 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|2,0,0]=3 455 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,0,0,0,0,0|3,0,0]=4 457 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|3,0,0]=4 459 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 460 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|3,0,0]=4 461 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|3,0,0]=4 462 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|3,0,0]=4 463 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|3,0,0]=4 465 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|3,0,0]=4 466 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|3,0,0]=4 467 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|3,0,0]=4 468 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|3,0,0]=4 469 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,0,0,0,0|3,0,0]=4 471 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,0|3,0,0]=4 473 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,0|3,0,0]=4 474 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,0,0,0|2,0,0]=3 475 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,0,0,0,0,0|3,0,0]=4 477 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,0,0,0,0,0|3,0,0]=4 478 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,0,0,0,0,0|3,0,0]=4 481 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,0,0,0,0,0|3,0,0]=4 482 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,0,0,0,0,0|3,0,0]=4 484 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,0,0,0,0,0|3,0,0]=4 485 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,0,0,0,0|3,0,0]=4 486 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,0,0,0,0|3,0,0]=4 487 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,0,0,0,0,0|3,0,0]=4 488 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,0,0,0,0,0|3,0,0]=4 489 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,0,0,0,0,0|3,0,0]=4 490 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,0,0,0,0,0|3,0,0]=4 491 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,0,0,0,0,0|3,0,0]=4 492 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,0,0,0,0,0|3,0,0]=4 494 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,0,0,0,0,0|2,0,1]=4 495 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,0,0,0,0,0|2,0,1]=4 496 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,0,0,0,0,0|2,0,1]=4 497 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,0,0,0,0,0|2,0,1]=4 498 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,0,0,0,0,0|2,0,1]=4 499 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,0,0,0,0|2,0,1]=4 501 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,0,0,0,0|2,0,1]=4 502 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,0,0,0,0,0|2,0,1]=4 503 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,0,0,0,0,0|2,0,1]=4 504 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,0,0,0,0,0|2,0,1]=4 505 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,0,0,0,0,0|2,0,1]=4 506 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,0,0,0,0,0|2,0,1]=4 507 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,0,0,0,0,0|2,0,1]=4 508 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,0,0,0,0,0|2,0,1]=4 509 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,0,0,0,0,0|2,0,1]=4 510 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,0,0,0,0,0|2,0,1]=4 511 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,0,0,0,0,0|2,0,1]=4 512 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,0,0,0,0,0|2,0,1]=4 513 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,0,0,0,0,0|2,0,1]=4 514 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,0,0,0,0,0|2,0,1]=4 515 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,0,0,0,0,0|2,0,1]=4 516 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,0,0,0,0,0|2,0,1]=4 517 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,0,0,0,0,0|2,0,1]=4 518 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,0,0,0,0|2,0,1]=4 519 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,0|1,0,0]=2 520 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,0|1,0,0]=2 521 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [1,0,0,0,0,0|3,0,0]=4 522 B11R1.28 O=CCNCc1cncnc1 2230a_100011243677_200015260668 [1,0,0,0,0,0|3,0,0]=4 523 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|1,0,0]=2 524 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|1,0,0]=2 525 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,0|1,0,0]=2 526 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,0|1,0,0]=2 527 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,0|2,0,0]=3 528 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,0|2,0,0]=3 529 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,0|2,0,0]=3 530 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,0|2,0,0]=3 531 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [1,0,0,0,0,0|3,0,0]=4 532 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [1,0,0,0,0,0|3,0,0]=4 533 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,0|2,0,0]=3 534 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,0|2,0,0]=3 535 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [1,0,0,0,0,0|3,0,0]=4 536 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [1,0,0,0,0,0|3,0,0]=4 537 B11R1.28 O=CCSCc1cncnc1 62a_100015196519_200015260668 [1,0,0,0,0,0|3,0,0]=4 538 B11R1.28 O=CCSCc1cncnc1 62a_200015260668_100015196519 [1,0,0,0,0,0|3,0,0]=4 539 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [1,0,0,0,0,0|3,0,0]=4 540 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [1,0,0,0,0,0|3,0,0]=4 541 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,0,0,0,0|1,0,1]=3 542 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,0,0,0,0|1,0,1]=3 543 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,0,0,0,0|1,0,1]=3 544 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,0,0,0,0,0|2,0,1]=4 545 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,0,0,0,0,0|2,0,1]=4 546 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,0,0,0,0,0|2,0,1]=4 547 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,0,0,0,0|1,0,1]=3 548 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,0,0,0,0|1,0,1]=3 549 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,0,0,0,0,0|2,0,1]=4 550 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,0,0,0,0,0|2,0,1]=4 551 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,0,0,0,0,0|2,0,1]=4 552 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,0,0,0,0,0|2,0,1]=4 553 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,0,0,0,0,0|2,0,1]=4 554 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,0,0,0,0,0|2,0,1]=4 555 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,0,0,0,0|1,0,1]=3 556 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,0,0,0,0|1,0,1]=3 557 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,0,0,0,0|1,0,1]=3 558 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,0,0,0,0|1,0,1]=3 559 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,0,0,0,0|1,0,1]=3 560 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,0,0,0,0|1,0,1]=3 561 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,0,0,0,0,0|2,0,1]=4 562 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,0,0,0,0,0|2,0,1]=4 563 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,0,0,0,0,0|2,0,1]=4 564 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,0,0,0,0,0|2,0,1]=4 565 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,0,0,0,0,0|2,0,1]=4 566 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,0,0,0,0,0|2,0,1]=4 567 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,0,0,0,0,0|2,0,1]=4 568 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,0,0,0,0,0|2,0,1]=4 569 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,0,0,0,0,0|2,0,1]=4 570 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,0,0,0,0,0|2,0,1]=4 571 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,0,0,0,0|1,0,1]=3 572 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,0,0,0,0|1,0,1]=3 573 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,0,0,0,0|1,0,1]=3 574 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,0,0,0,0|1,0,1]=3 575 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,0,0,0,0,0|2,0,1]=4 576 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,0,0,0,0,0|2,0,1]=4 577 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,0,0,0,0,0|2,0,1]=4 578 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,0,0,0,0,0|2,0,1]=4 579 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,0,0,0,0,0|2,0,1]=4 580 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,0,0,0,0,0|2,0,1]=4 581 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,0,0,0|2,0,0]=3 582 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,0,0,0|2,0,0]=3 583 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,0,0,0,0,0|3,0,0]=4 584 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,0,0,0,0,0|3,0,0]=4 585 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,0,0,0,0,0|3,0,0]=4 586 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,0,0,0,0,0|3,0,0]=4 587 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,0,0,0,0,0|3,0,0]=4 588 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,0,0,0,0,0|3,0,0]=4 589 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|2,0,0]=3 590 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|2,0,0]=3 591 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,0,0,0,0,0|3,0,0]=4 592 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,0,0,0,0,0|3,0,0]=4 593 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,0,0,0,0,0|3,0,0]=4 594 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 595 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|3,0,0]=4 596 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|3,0,0]=4 598 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,0,0,0|2,0,0]=3 599 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,0,0,0|2,0,0]=3 600 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,0,0,0,0,0|3,0,0]=4 601 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,0,0,0,0,0|3,0,0]=4 602 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,0,0,0,0,0|3,0,0]=4 603 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,0,0,0,0,0|3,0,0]=4 604 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,0,0,0,0,0|3,0,0]=4 605 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,0,0,0,0,0|3,0,0]=4 608 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.45 C=C(C)CCN(C)c1ccccc1 2230a_100000210012_100000730704 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.45 C=C(C)CCN(C)c1ccccc1 269982a_100000210012_100000730704 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.45 C=C(C)CCN(C)c1ccccc1 34a_100000210012_100000730704 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.45 C=C(F)CN[C@H](C)c1ccccc1 2230a_100000751104_100009893438 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.45 C=C(F)COC(C)c1ccccc1 34a_200010262243_100000211855 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 34a_100000761318_100009893438 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 7a_100000761318_100000042424 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000042424_100000230085 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000230085_100000042424 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,0|1,0,1]=3 625 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,1,0,0,0,0|2,0,0]=3 626 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,0,0,0,0|1,0,0]=2 627 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,1,0,0,0,0|2,0,1]=4 629 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,0,0,0,0|2,0,0]=3 630 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,1,0,0,0,0|2,0,1]=4 631 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,1,0,0,0,0|2,0,0]=3 632 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,1,0,0,0,0|2,0,0]=3 633 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,1,0,0,0,0|2,0,0]=3 634 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,1,0,0,0,0|2,0,0]=3 635 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,1,0,0,0,0|2,0,0]=3 636 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,1,0,0,0,0|2,0,0]=3 637 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,1,0,0,0,0|2,0,0]=3 645 B13R1.45 CC(NCC(=O)N)c1ccccn1 2230a_100000181244_100000747473 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.45 CC(NCC(=O)N)c1cccnc1 2230a_100000195435_100000747473 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.45 CC(NCC(=O)N)c1ccncc1 2230a_100000181269_100000747473 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,0|1,0,0]=2 649 B13R1.45 CC(NCC(=O)O)c1cnccn1 269956a_100016091260_200000703233 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,1,0,0,0,0|1,0,2]=4 651 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,1,0,0,0,0|2,0,0]=3 663 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,1,0,0,0,0|2,0,0]=3 664 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,1,0,0,0,0|1,0,1]=3 665 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,1,0,0,0,0|1,0,1]=3 666 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.45 CC(SC[N+](=O)[O-])c1ccccc1 62a_100000230085_100000761209 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,1,0,0,0,0|2,0,0]=3 674 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,1,0,0,0,0|2,0,0]=3 675 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,1,0,0,0,0|2,0,0]=3 676 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,1,0,0,0,0|2,0,0]=3 679 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,1,0,0,0,0|2,0,0]=3 683 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,1,0,0,0,0|2,0,0]=3 684 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,1,0,0,0,0|1,0,1]=3 685 B13R1.45 C[C@@H](OC[N+](=O)[O-])c1ccccc1 34a_100000761318_100000761209 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.149 C=C(C)CCNc1cccc(c1)Br 34a_100000210019_100000730704 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.149 C=C(C)CCNc1cccc(c1)C 2230a_100000188690_100000730704 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.149 C=C(C)CCNc1cccc(c1)C 34a_100000188690_100000730704 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.149 C=C(C)CCNc1cccc(c1)Cl 34a_100000185859_100000730704 [0,1,0,0,0,0|3,0,0]=4 695 B13R1.149 C=C(C)CCNc1cccc(c1)F 34a_100000210047_100000730704 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.149 C=C(C)CCNc1cccc(c1)I 34a_100000211102_100000730704 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.149 C=C(C)CCNc1cccc(c1)O 34a_100000210217_100000730704 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.149 C=C(C)CCOc1cccc(c1)Br 34a_100000210342_100000730704 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.149 C=C(C)CCOc1cccc(c1)Br 7a_100000210342_100000730704 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.149 C=C(C)CCOc1cccc(c1)C 34a_100000210337_100000730704 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.149 C=C(C)CCOc1cccc(c1)C 7a_100000210337_100000730704 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 34a_100000210295_100000730704 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 7a_100000210295_100000730704 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.149 C=C(C)CCOc1cccc(c1)F 34a_100000210426_100000730704 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.149 C=C(C)CCOc1cccc(c1)F 7a_100000210426_100000730704 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.149 C=C(C)CCOc1cccc(c1)I 34a_100000211634_100000730704 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.149 C=C(C)CCOc1cccc(c1)I 7a_100000211634_100000730704 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.149 C=C(C)CCOc1cccc(c1)N 34a_100000210217_100000730704 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000691529_100000730704 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000730704_100000691529 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100000730704_100011215228 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100011215228_100000730704 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000699651_100000730704 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000730704_100000699651 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000685547_100000730704 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000730704_100000685547 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000210019_100000730704 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000730704_100000210019 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.149 C=C(C)CCSc1cccc(c1)O 62a_100000730704_100000211634 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_100000730704_114929384022 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_114929384022_100000730704 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.149 C=C(C)CNCc1cccc(c1)Br 2230a_100000174977_100000748629 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.149 C=C(C)CNCc1cccc(c1)Br 34a_100000174977_100000748629 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.149 C=C(C)CNCc1cccc(c1)C 2230a_100000185548_100000748629 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.149 C=C(C)CNCc1cccc(c1)C 34a_100000185548_100000748629 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.149 C=C(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000748629 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.149 C=C(C)CNCc1cccc(c1)Cl 34a_100000174878_100000748629 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.149 C=C(C)CNCc1cccc(c1)F 2230a_100000174948_100000748629 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.149 C=C(C)CNCc1cccc(c1)F 34a_100000174948_100000748629 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.149 C=C(C)CNCc1cccc(c1)I 2230a_100000106179_100000748629 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.149 C=C(C)CNCc1cccc(c1)I 34a_100000106179_100000748629 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.149 C=C(C)CNCc1cccc(c1)O 2230a_100000743036_100000748629 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.149 C=C(C)CNCc1cccc(c1)O 34a_100000743036_100000748629 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000210245_100000698116 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000687537_100000748629 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.149 C=C(C)COCc1cccc(c1)Br 7a_100000687537_100000748629 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100000210245_100000211840 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100011217746_100000748629 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.149 C=C(C)COCc1cccc(c1)C 7a_100011217746_100000748629 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000210245_100000187163 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000241301_100000748629 [0,1,0,0,0,0|3,0,0]=4 742 B13R1.149 C=C(C)COCc1cccc(c1)Cl 7a_100000241301_100000748629 [0,1,0,0,0,0|3,0,0]=4 743 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210245_100000187166 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210976_100000748629 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.149 C=C(C)COCc1cccc(c1)F 7a_100000210976_100000748629 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100000210245_100011218688 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100011215336_100000748629 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.149 C=C(C)COCc1cccc(c1)I 7a_100011215336_100000748629 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.149 C=C(C)COCc1cccc(c1)N 34a_100000211919_100000748629 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.149 C=C(C)COCc1cccc(c1)O 34a_100000210245_100011660834 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000211773_100000211660 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000748629_100000211773 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000211840_100000211660 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000748629_100000211840 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000187163_100000211660 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000748629_100000187163 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000230114_100000211660 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000748629_100000230114 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100000748629_100011218688 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100011218688_100000211660 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100000748629_100011660834 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100011660834_100000211660 [0,1,0,0,0,0|3,0,0]=4 763 B13R1.149 C=C(F)CNCc1cccc(c1)Br 2230a_100000174977_100009893438 [0,1,0,0,0,0|3,0,0]=4 764 B13R1.149 C=C(F)CNCc1cccc(c1)Br 34a_100000174977_100009893438 [0,1,0,0,0,0|3,0,0]=4 765 B13R1.149 C=C(F)CNCc1cccc(c1)C 2230a_100000185548_100009893438 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.149 C=C(F)CNCc1cccc(c1)C 34a_100000185548_100009893438 [0,1,0,0,0,0|3,0,0]=4 767 B13R1.149 C=C(F)CNCc1cccc(c1)Cl 2230a_100000174878_100009893438 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.149 C=C(F)CNCc1cccc(c1)Cl 34a_100000174878_100009893438 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.149 C=C(F)CNCc1cccc(c1)F 2230a_100000174948_100009893438 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.149 C=C(F)CNCc1cccc(c1)F 34a_100000174948_100009893438 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.149 C=C(F)CNCc1cccc(c1)I 2230a_100000106179_100009893438 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.149 C=C(F)CNCc1cccc(c1)I 34a_100000106179_100009893438 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.149 C=C(F)CNCc1cccc(c1)O 2230a_100000743036_100009893438 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.149 C=C(F)CNCc1cccc(c1)O 34a_100000743036_100009893438 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.149 C=C(F)COCc1cccc(c1)Br 34a_100000687537_100009893438 [0,1,0,0,0,0|3,0,0]=4 776 B13R1.149 C=C(F)COCc1cccc(c1)Br 34a_200010262243_100000698116 [0,1,0,0,0,0|3,0,0]=4 777 B13R1.149 C=C(F)COCc1cccc(c1)Br 7a_100000687537_100000042424 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.149 C=C(F)COCc1cccc(c1)C 34a_100011217746_100009893438 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.149 C=C(F)COCc1cccc(c1)C 34a_200010262243_100000211840 [0,1,0,0,0,0|3,0,0]=4 780 B13R1.149 C=C(F)COCc1cccc(c1)C 7a_100011217746_100000042424 [0,1,0,0,0,0|3,0,0]=4 781 B13R1.149 C=C(F)COCc1cccc(c1)Cl 34a_100000241301_100009893438 [0,1,0,0,0,0|3,0,0]=4 782 B13R1.149 C=C(F)COCc1cccc(c1)Cl 34a_200010262243_100000187163 [0,1,0,0,0,0|3,0,0]=4 783 B13R1.149 C=C(F)COCc1cccc(c1)Cl 7a_100000241301_100000042424 [0,1,0,0,0,0|3,0,0]=4 784 B13R1.149 C=C(F)COCc1cccc(c1)F 34a_100000210976_100009893438 [0,1,0,0,0,0|3,0,0]=4 785 B13R1.149 C=C(F)COCc1cccc(c1)F 34a_200010262243_100000187166 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.149 C=C(F)COCc1cccc(c1)F 7a_100000210976_100000042424 [0,1,0,0,0,0|3,0,0]=4 787 B13R1.149 C=C(F)COCc1cccc(c1)I 34a_100011215336_100009893438 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.149 C=C(F)COCc1cccc(c1)I 34a_200010262243_100011218688 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.149 C=C(F)COCc1cccc(c1)I 7a_100011215336_100000042424 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.149 C=C(F)COCc1cccc(c1)N 34a_100000211919_100009893438 [0,1,0,0,0,0|3,0,0]=4 791 B13R1.149 C=C(F)COCc1cccc(c1)O 34a_200010262243_100011660834 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.149 C=C(F)CSCc1cccc(c1)Br 62a_100000042424_100000211773 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.149 C=C(F)CSCc1cccc(c1)Br 62a_100000211773_100000042424 [0,1,0,0,0,0|3,0,0]=4 794 B13R1.149 C=C(F)CSCc1cccc(c1)C 62a_100000042424_100000211840 [0,1,0,0,0,0|3,0,0]=4 795 B13R1.149 C=C(F)CSCc1cccc(c1)C 62a_100000211840_100000042424 [0,1,0,0,0,0|3,0,0]=4 796 B13R1.149 C=C(F)CSCc1cccc(c1)Cl 62a_100000042424_100000187163 [0,1,0,0,0,0|3,0,0]=4 797 B13R1.149 C=C(F)CSCc1cccc(c1)Cl 62a_100000187163_100000042424 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.149 C=C(F)CSCc1cccc(c1)F 62a_100000042424_100000230114 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.149 C=C(F)CSCc1cccc(c1)F 62a_100000230114_100000042424 [0,1,0,0,0,0|3,0,0]=4 800 B13R1.149 C=C(F)CSCc1cccc(c1)I 62a_100000042424_100011218688 [0,1,0,0,0,0|3,0,0]=4 801 B13R1.149 C=C(F)CSCc1cccc(c1)I 62a_100011218688_100000042424 [0,1,0,0,0,0|3,0,0]=4 802 B13R1.149 C=C(F)CSCc1cccc(c1)O 62a_100000042424_100011660834 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.149 C=C(F)CSCc1cccc(c1)O 62a_100011660834_100000042424 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.149 CC(=O)CC#Cc1cccc(c1)Br 1458a_100000070787_100010706776 [0,1,0,0,0,0|1,0,2]=4 805 B13R1.149 CC(=O)CC#Cc1cccc(c1)F 1458a_100000070787_100010402994 [0,1,0,0,0,0|1,0,2]=4 806 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,1,0,0,0,0|1,0,0]=2 807 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,1,0,0,0,0|1,0,0]=2 808 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,1,0,0,0,0|1,0,0]=2 809 B13R1.149 CC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000053229 [0,1,0,0,0,0|3,0,0]=4 810 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [0,1,0,0,0,0|2,0,0]=3 812 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [0,1,0,0,0,0|2,0,0]=3 813 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,1,0,0,0,0|2,0,0]=3 814 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,1,0,0,0,0|2,0,0]=3 815 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [0,1,0,0,0,0|2,0,0]=3 817 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [0,1,0,0,0,0|2,0,0]=3 818 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [0,1,0,0,0,0|2,0,0]=3 819 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [0,1,0,0,0,0|2,0,0]=3 820 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [0,1,0,0,0,0|2,0,0]=3 821 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [0,1,0,0,0,0|2,0,0]=3 822 B13R1.149 CC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000053229 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.149 CC(=O)CCOc1cncc(c1)C 7a_100011830280_100000053229 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.149 CC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000053229 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.149 CC(=O)CCOc1cncc(c1)F 7a_100011830296_100000053229 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.149 CC(=O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000053229 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000053229_100000750283 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000750283_100000053229 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.149 CC(=O)CCSc1cc(ccn1)Cl 62a_100000053229_100010167805 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.149 CC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000053229 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.149 CC(=O)CCSc1cc(ccn1)F 62a_100000053229_100000764206 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.149 CC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000053229 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.149 CC(=O)CCSc1cc(ccn1)N 62a_100000053229_100009814236 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.149 CC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000053229 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.149 CC(=O)CCSc1cc(ccn1)O 62a_100000053229_100000762945 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.149 CC(=O)CCSc1cc[nH]c(=O)c1 62a_100000053229_100009816521 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.149 CC(=O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000053229 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.149 CC(=O)CCSc1ccc[n+](c1)C 62a_100000053229_100009996589 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.149 CC(=O)CCSc1ccc[n+](c1)C 62a_100009996589_100000053229 [0,1,0,0,0,0|3,0,0]=4 840 B13R1.149 CC(=O)CCSc1ccc[n+](c1)[O-] 62a_100000053229_100009815978 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.149 CC(=O)CCSc1cccc(=O)[nH]1 62a_100000053229_100000752884 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000053229_100000691529 [0,1,0,0,0,0|2,0,0]=3 843 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000053229 [0,1,0,0,0,0|2,0,0]=3 844 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [0,1,0,0,0,0|2,0,0]=3 845 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [0,1,0,0,0,0|2,0,0]=3 846 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000053229_100000699651 [0,1,0,0,0,0|2,0,0]=3 847 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000053229 [0,1,0,0,0,0|2,0,0]=3 848 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000053229_100000685547 [0,1,0,0,0,0|2,0,0]=3 849 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000685547_100000053229 [0,1,0,0,0,0|2,0,0]=3 850 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000053229_100000210019 [0,1,0,0,0,0|2,0,0]=3 851 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000210019_100000053229 [0,1,0,0,0,0|2,0,0]=3 852 B13R1.149 CC(=O)CCSc1cccc(c1)O 62a_100000053229_100000211634 [0,1,0,0,0,0|2,0,0]=3 853 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_100000053229_114929384022 [0,1,0,0,0,0|2,0,0]=3 854 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000053229 [0,1,0,0,0,0|2,0,0]=3 855 B13R1.149 CC(=O)CCSc1cccc(n1)Br 62a_100000053229_100000684672 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.149 CC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000053229 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000053229_100000742759 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000742759_100000053229 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.149 CC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000053229 [0,1,0,0,0,0|3,0,0]=4 860 B13R1.149 CC(=O)CCSc1cccc(n1)Cl 62a_100000053229_100000051397 [0,1,0,0,0,0|3,0,0]=4 861 B13R1.149 CC(=O)CCSc1cccc(n1)F 62a_100000053229_100009815982 [0,1,0,0,0,0|3,0,0]=4 862 B13R1.149 CC(=O)CCSc1cccc(n1)F 62a_100009815982_100000053229 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.149 CC(=O)CCSc1cccc(n1)N 62a_100000053229_100000740741 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.149 CC(=O)CCSc1cccc(n1)N 62a_100000740741_100000053229 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.149 CC(=O)CCSc1ccnc(c1)Br 62a_100000053229_100009814637 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.149 CC(=O)CCSc1ccnc(c1)Br 62a_100009814637_100000053229 [0,1,0,0,0,0|3,0,0]=4 867 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000053229_100000758586 [0,1,0,0,0,0|3,0,0]=4 868 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000758586_100000053229 [0,1,0,0,0,0|3,0,0]=4 869 B13R1.149 CC(=O)CCSc1ccnc(c1)Cl 62a_100000035001_100000053229 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.149 CC(=O)CCSc1ccnc(c1)Cl 62a_100000053229_100000035001 [0,1,0,0,0,0|3,0,0]=4 871 B13R1.149 CC(=O)CCSc1ccnc(c1)F 62a_100000053229_100009816116 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.149 CC(=O)CCSc1ccnc(c1)F 62a_100009816116_100000053229 [0,1,0,0,0,0|3,0,0]=4 873 B13R1.149 CC(=O)CCSc1ccnc(c1)N 62a_100000049665_100000053229 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.149 CC(=O)CCSc1ccnc(c1)N 62a_100000053229_100000049665 [0,1,0,0,0,0|3,0,0]=4 875 B13R1.149 CC(=O)CCSc1cncc(c1)Br 62a_100000053229_100000728054 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.149 CC(=O)CCSc1cncc(c1)Br 62a_100000728054_100000053229 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.149 CC(=O)CCSc1cncc(c1)C 62a_100000053229_100000760492 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.149 CC(=O)CCSc1cncc(c1)C 62a_100000760492_100000053229 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.149 CC(=O)CCSc1cncc(c1)Cl 62a_100000049639_100000053229 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.149 CC(=O)CCSc1cncc(c1)Cl 62a_100000053229_100000049639 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.149 CC(=O)CCSc1cncc(c1)F 62a_100000053229_100000744099 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.149 CC(=O)CCSc1cncc(c1)F 62a_100000744099_100000053229 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.149 CC(=O)CCSc1cncc(c1)N 62a_100000053229_100000687067 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.149 CC(=O)CCSc1cncc(c1)N 62a_100000687067_100000053229 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.149 CC(=O)CCSc1cncc(c1)O 62a_100000053229_100000754920 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.149 CC(=O)CCSc1cncc(c1)O 62a_100000754920_100000053229 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.149 CC(=O)COCc1cc(ccn1)Br 34a_100000211253_100010173614 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.149 CC(=O)COCc1cc(ccn1)C 34a_100000211253_100000718516 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.149 CC(=O)COCc1cc(ccn1)Cl 34a_100000211253_100016988179 [0,1,0,0,0,0|3,0,0]=4 890 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,1,0,0,0,0|2,0,0]=3 891 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,1,0,0,0,0|2,0,0]=3 892 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,1,0,0,0,0|2,0,0]=3 893 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,1,0,0,0,0|2,0,0]=3 894 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,1,0,0,0,0|2,0,0]=3 895 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,1,0,0,0,0|2,0,0]=3 896 B13R1.149 CC(=O)COCc1cccc(n1)Br 34a_100000211253_100009889011 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.149 CC(=O)COCc1cccc(n1)C 34a_100000211253_100000757606 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.149 CC(=O)COCc1cccc(n1)Cl 34a_100000211253_100000086093 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.149 CC(=O)COCc1cccc(n1)F 34a_100000211253_100009819644 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.149 CC(=O)COCc1ccnc(c1)Br 34a_100000211253_100010243470 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.149 CC(=O)COCc1ccnc(c1)C 34a_100000211253_200020672517 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.149 CC(=O)COCc1ccnc(c1)Cl 34a_100000211253_100000764220 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.149 CC(=O)COCc1cncc(c1)Br 34a_100000211253_100000738771 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.149 CC(=O)COCc1cncc(c1)C 34a_100000211253_100000716715 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.149 CC(=O)COCc1cncc(c1)Cl 34a_100000211253_100016992070 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.149 CC(=O)COCc1cncc(c1)F 34a_100000211253_100000725299 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [0,1,0,0,0,0|2,0,0]=3 908 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,1,0,0,0,0|2,0,0]=3 909 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,1,0,0,0,0|2,0,0]=3 910 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,1,0,0,0,0|2,0,0]=3 911 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,1,0,0,0,0|2,0,0]=3 912 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,1,0,0,0,0|2,0,0]=3 913 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,1,0,0,0,0|2,0,0]=3 914 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,1,0,0,0,0|2,0,0]=3 915 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,1,0,0,0,0|2,0,0]=3 916 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,1,0,0,0,0|2,0,0]=3 917 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,1,0,0,0,0|2,0,0]=3 918 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,1,0,0,0,0|2,0,0]=3 919 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,1,0,0,0,0|2,0,0]=3 920 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,1,0,0,0,0|2,0,0]=3 921 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,1,0,0,0,0|2,0,0]=3 922 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,1,0,0,0,0|2,0,0]=3 923 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,1,0,0,0,0|2,0,0]=3 924 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,1,0,0,0,0|2,0,0]=3 925 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,1,0,0,0,0|2,0,0]=3 926 B13R1.149 CC(=O)NCCc1cccc(n1)C 11a_100011824523_100015343762 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.149 CC(=O)NCCc1cccc(n1)C 1626a_100011824523_100015343762 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.149 CC(=O)NCCc1cccc(n1)C 240690a_100011824523_100015343762 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.149 CC(=O)NCCc1cccc(n1)C 527a_100011824523_100103153847 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.149 CC(=O)NNCc1cccc(c1)Br 22a_100000686200_100000070787 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.149 CC(=O)NNCc1cccc(c1)C 22a_100000689898_100000070787 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.149 CC(=O)NNCc1cccc(c1)Cl 22a_100000685877_100000070787 [0,1,0,0,0,0|3,0,0]=4 933 B13R1.149 CC(=O)NNCc1cccc(c1)F 22a_100016993953_100000070787 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.149 CC(=O)NNCc1cccc(c1)O 22a_100000008902_100000070787 [0,1,0,0,0,0|3,0,0]=4 935 B13R1.149 CC(=O)OCNc1cccc(c1)Br 34a_100000210019_100009813279 [0,1,0,0,0,0|3,0,0]=4 936 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [0,1,0,0,0,0|3,0,0]=4 937 B13R1.149 CC(=O)OCNc1cccc(c1)Cl 34a_100000185859_100009813279 [0,1,0,0,0,0|3,0,0]=4 938 B13R1.149 CC(=O)OCNc1cccc(c1)F 34a_100000210047_100009813279 [0,1,0,0,0,0|3,0,0]=4 939 B13R1.149 CC(=O)OCNc1cccc(c1)I 34a_100000211102_100009813279 [0,1,0,0,0,0|3,0,0]=4 940 B13R1.149 CC(=O)OCNc1cccc(c1)O 34a_100000210217_100009813279 [0,1,0,0,0,0|3,0,0]=4 941 B13R1.149 CC(=O)OCOc1cccc(c1)Br 34a_100000210342_100009813279 [0,1,0,0,0,0|3,0,0]=4 942 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,1,0,0,0,0|3,0,0]=4 943 B13R1.149 CC(=O)OCOc1cccc(c1)Cl 34a_100000210295_100009813279 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.149 CC(=O)OCOc1cccc(c1)F 34a_100000210426_100009813279 [0,1,0,0,0,0|3,0,0]=4 945 B13R1.149 CC(=O)OCOc1cccc(c1)I 34a_100000211634_100009813279 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.149 CC(=O)OCOc1cccc(c1)N 34a_100000210217_100009813279 [0,1,0,0,0,0|3,0,0]=4 947 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000076356_100000691529 [0,1,0,0,0,0|3,0,0]=4 948 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000076356 [0,1,0,0,0,0|3,0,0]=4 949 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [0,1,0,0,0,0|3,0,0]=4 950 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000076356_100000699651 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000076356 [0,1,0,0,0,0|3,0,0]=4 953 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000076356_100000685547 [0,1,0,0,0,0|3,0,0]=4 954 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000685547_100000076356 [0,1,0,0,0,0|3,0,0]=4 955 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000076356_100000210019 [0,1,0,0,0,0|3,0,0]=4 956 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000210019_100000076356 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.149 CC(=O)OCSc1cccc(c1)O 62a_100000076356_100000211634 [0,1,0,0,0,0|3,0,0]=4 958 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_100000076356_114929384022 [0,1,0,0,0,0|3,0,0]=4 959 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000076356 [0,1,0,0,0,0|3,0,0]=4 960 B13R1.149 CC(O)CCNc1cccc(c1)Br 34a_100000210019_100012276601 [0,1,0,0,0,0|2,0,1]=4 961 B13R1.149 CC(O)CCNc1cccc(c1)Cl 34a_100000185859_100012276601 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.149 CC(O)CCNc1cccc(c1)F 34a_100000210047_100012276601 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.149 CC(O)CCNc1cccc(c1)I 34a_100000211102_100012276601 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,1,0,0,0,0|2,0,1]=4 966 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,1,0,0,0,0|2,0,1]=4 969 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,1,0,0,0,0|2,0,1]=4 970 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100000691529_100012276601 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100012276601_100000691529 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100000699651_100012276601 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100012276601_100000699651 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100000685547_100012276601 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100012276601_100000685547 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100000210019_100012276601 [0,1,0,0,0,0|2,0,1]=4 981 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100012276601_100000210019 [0,1,0,0,0,0|2,0,1]=4 982 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [0,1,0,0,0,0|2,0,1]=4 983 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_100012276601_114929384022 [0,1,0,0,0,0|2,0,1]=4 984 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_114929384022_100012276601 [0,1,0,0,0,0|2,0,1]=4 985 B13R1.149 CC(O)CNCc1cccc(c1)Br 207a_100000210904_100000210085 [0,1,0,0,0,0|2,0,1]=4 986 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011218427 [0,1,0,0,0,0|2,0,1]=4 987 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000210904_100000698116 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.149 CC(O)CNCc1cccc(c1)Br 270004a_100000210904_100000210085 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000174977_100011218427 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,0,0,0,0|2,0,1]=4 991 B13R1.149 CC(O)CNCc1cccc(c1)Cl 207a_100000210904_100000210801 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011218427 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000210904_100000181238 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.149 CC(O)CNCc1cccc(c1)Cl 270004a_100000210904_100000210801 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011218427 [0,1,0,0,0,0|2,0,1]=4 996 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,0,0,0,0|2,0,1]=4 997 B13R1.149 CC(O)CNCc1cccc(c1)F 207a_100000210904_100000210812 [0,1,0,0,0,0|2,0,1]=4 998 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000174948_100011218427 [0,1,0,0,0,0|2,0,1]=4 999 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000210904_100000230114 [0,1,0,0,0,0|2,0,1]=4 1000 B13R1.149 CC(O)CNCc1cccc(c1)F 270004a_100000210904_100000210812 [0,1,0,0,0,0|2,0,1]=4 1001 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000174948_100011218427 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.149 CC(O)CNCc1cccc(c1)I 207a_100000210904_100000014684 [0,1,0,0,0,0|2,0,1]=4 1004 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000106179_100011218427 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000210904_100011218688 [0,1,0,0,0,0|2,0,1]=4 1006 B13R1.149 CC(O)CNCc1cccc(c1)I 270004a_100000210904_100000014684 [0,1,0,0,0,0|2,0,1]=4 1007 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000106179_100011218427 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,0,0,0,0|2,0,1]=4 1009 B13R1.149 CC(O)CNCc1cccc(c1)O 207a_100000210904_100000188321 [0,1,0,0,0,0|2,0,1]=4 1010 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000210904_100011660834 [0,1,0,0,0,0|2,0,1]=4 1011 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218427 [0,1,0,0,0,0|2,0,1]=4 1012 B13R1.149 CC(O)CNCc1cccc(c1)O 270004a_100000210904_100000188321 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,0,0,0,0|2,0,1]=4 1014 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000743036_100011218427 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.149 CC(O)COCc1cccc(c1)Br 34a_100000687537_100011218427 [0,1,0,0,0,0|2,0,1]=4 1016 B13R1.149 CC(O)COCc1cccc(c1)Br 7a_100000687537_100011218427 [0,1,0,0,0,0|2,0,1]=4 1017 B13R1.149 CC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218427 [0,1,0,0,0,0|2,0,1]=4 1018 B13R1.149 CC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218427 [0,1,0,0,0,0|2,0,1]=4 1019 B13R1.149 CC(O)COCc1cccc(c1)F 34a_100000210976_100011218427 [0,1,0,0,0,0|2,0,1]=4 1020 B13R1.149 CC(O)COCc1cccc(c1)F 7a_100000210976_100011218427 [0,1,0,0,0,0|2,0,1]=4 1021 B13R1.149 CC(O)COCc1cccc(c1)I 34a_100011215336_100011218427 [0,1,0,0,0,0|2,0,1]=4 1022 B13R1.149 CC(O)COCc1cccc(c1)I 7a_100011215336_100011218427 [0,1,0,0,0,0|2,0,1]=4 1023 B13R1.149 CC(O)COCc1cccc(c1)N 34a_100000211919_100011218427 [0,1,0,0,0,0|2,0,1]=4 1024 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100000211773_100011218427 [0,1,0,0,0,0|2,0,1]=4 1025 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100011218427_100000211773 [0,1,0,0,0,0|2,0,1]=4 1026 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011218427 [0,1,0,0,0,0|2,0,1]=4 1027 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100011218427_100000187163 [0,1,0,0,0,0|2,0,1]=4 1028 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100000230114_100011218427 [0,1,0,0,0,0|2,0,1]=4 1029 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100011218427_100000230114 [0,1,0,0,0,0|2,0,1]=4 1030 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218427_100011218688 [0,1,0,0,0,0|2,0,1]=4 1031 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218688_100011218427 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011218427_100011660834 [0,1,0,0,0,0|2,0,1]=4 1033 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011660834_100011218427 [0,1,0,0,0,0|2,0,1]=4 1034 B13R1.149 CN(C)CCCc1cccc(c1)Br 2230a_100102631434_100011713683 [0,1,0,0,0,0|3,0,0]=4 1035 B13R1.149 CN(C)CCCc1cccc(c1)Br 269982a_100102631434_100011713683 [0,1,0,0,0,0|3,0,0]=4 1036 B13R1.149 CN(C)CCCc1cccc(c1)F 2230a_100102631434_200000698031 [0,1,0,0,0,0|3,0,0]=4 1037 B13R1.149 CN(C)CCCc1cccc(c1)F 269982a_100102631434_200000698031 [0,1,0,0,0,0|3,0,0]=4 1038 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 2230a_100000174977_100009817552 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 34a_100000174977_100009817552 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 2230a_100000174878_100009817552 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 34a_100000174878_100009817552 [0,1,0,0,0,0|2,0,1]=4 1042 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 2230a_100000174948_100009817552 [0,1,0,0,0,0|2,0,1]=4 1043 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 34a_100000174948_100009817552 [0,1,0,0,0,0|2,0,1]=4 1044 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 2230a_100000106179_100009817552 [0,1,0,0,0,0|2,0,1]=4 1045 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 34a_100000106179_100009817552 [0,1,0,0,0,0|2,0,1]=4 1046 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009817552 [0,1,0,0,0,0|2,0,1]=4 1047 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 34a_100000743036_100009817552 [0,1,0,0,0,0|2,0,1]=4 1048 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 34a_100000687537_100009817552 [0,1,0,0,0,0|2,0,1]=4 1049 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 7a_100000687537_100009817552 [0,1,0,0,0,0|2,0,1]=4 1050 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009817552 [0,1,0,0,0,0|2,0,1]=4 1051 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009817552 [0,1,0,0,0,0|2,0,1]=4 1052 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 34a_100000210976_100009817552 [0,1,0,0,0,0|2,0,1]=4 1053 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 7a_100000210976_100009817552 [0,1,0,0,0,0|2,0,1]=4 1054 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 34a_100011215336_100009817552 [0,1,0,0,0,0|2,0,1]=4 1055 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 7a_100011215336_100009817552 [0,1,0,0,0,0|2,0,1]=4 1056 B13R1.149 C[C@@H](O)COCc1cccc(c1)N 34a_100000211919_100009817552 [0,1,0,0,0,0|2,0,1]=4 1057 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009817552 [0,1,0,0,0,0|2,0,1]=4 1058 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100009817552_100000211773 [0,1,0,0,0,0|2,0,1]=4 1059 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009817552 [0,1,0,0,0,0|2,0,1]=4 1060 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100009817552_100000187163 [0,1,0,0,0,0|2,0,1]=4 1061 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100000230114_100009817552 [0,1,0,0,0,0|2,0,1]=4 1062 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100009817552_100000230114 [0,1,0,0,0,0|2,0,1]=4 1063 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100009817552_100011218688 [0,1,0,0,0,0|2,0,1]=4 1064 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100011218688_100009817552 [0,1,0,0,0,0|2,0,1]=4 1065 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100009817552_100011660834 [0,1,0,0,0,0|2,0,1]=4 1066 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100011660834_100009817552 [0,1,0,0,0,0|2,0,1]=4 1067 B13R1.149 C[n+]1cccc(c1)SCCC(=O)N 62a_100000744528_100009996589 [0,1,0,0,0,0|3,0,0]=4 1068 B13R1.149 C[n+]1cccc(c1)SCCC(=O)N 62a_100009996589_100000744528 [0,1,0,0,0,0|3,0,0]=4 1069 B13R1.149 Cc1cc(ccn1)CNCC(=O)N 2230a_100000711301_200020672517 [0,1,0,0,0,0|3,0,0]=4 1070 B13R1.149 Cc1cc(ccn1)CNCC(=O)N 34a_100011934566_100000187820 [0,1,0,0,0,0|3,0,0]=4 1071 B13R1.149 Cc1cc(ccn1)CNCC(=O)O 269956a_100016091260_200020672517 [0,1,0,0,0,0|2,0,0]=3 1072 B13R1.149 Cc1cc(ccn1)CNCC(=O)[O-] 34a_100011934566_100020667443 [0,1,0,0,0,0|2,0,1]=4 1073 B13R1.149 Cc1cc(ccn1)COCC(=O)N 34a_100011998630_100000187820 [0,1,0,0,0,0|3,0,0]=4 1074 B13R1.149 Cc1cc(ccn1)COCC(=O)[O-] 34a_100011998630_100020667443 [0,1,0,0,0,0|2,0,1]=4 1075 B13R1.149 Cc1cc(ccn1)CSCC(=O)N 62a_100000747473_200020672517 [0,1,0,0,0,0|3,0,0]=4 1076 B13R1.149 Cc1cc(ccn1)CSCC(=O)N 62a_200020672517_100000747473 [0,1,0,0,0,0|3,0,0]=4 1077 B13R1.149 Cc1cc(ccn1)CSCC(=O)[O-] 62a_100020667443_200020672517 [0,1,0,0,0,0|2,0,1]=4 1078 B13R1.149 Cc1cc(ccn1)CSCC(=O)[O-] 62a_200020672517_100020667443 [0,1,0,0,0,0|2,0,1]=4 1079 B13R1.149 Cc1cc(ccn1)NCCC(=O)N 27a_100000740010_100000758586 [0,1,0,0,0,0|3,0,0]=4 1080 B13R1.149 Cc1cc(ccn1)OCCC(=O)N 34a_100000688365_100000731001 [0,1,0,0,0,0|3,0,0]=4 1081 B13R1.149 Cc1cc(ccn1)SCCC(=O)N 62a_100000744528_100000758586 [0,1,0,0,0,0|3,0,0]=4 1082 B13R1.149 Cc1cc(ccn1)SCCC(=O)N 62a_100000758586_100000744528 [0,1,0,0,0,0|3,0,0]=4 1083 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [0,1,0,0,0,0|2,0,0]=3 1084 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [0,1,0,0,0,0|2,0,0]=3 1085 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [0,1,0,0,0,0|2,0,0]=3 1086 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,0|1,0,0]=2 1087 B13R1.149 Cc1cccc(c1)CNCC(=O)[O-] 34a_100000185548_100020667443 [0,1,0,0,0,0|1,0,1]=3 1088 B13R1.149 Cc1cccc(c1)CNCC(C)O 207a_100000210904_100000211157 [0,1,0,0,0,0|2,0,1]=4 1089 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000185548_100011218427 [0,1,0,0,0,0|2,0,1]=4 1090 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000210904_100000211840 [0,1,0,0,0,0|2,0,1]=4 1091 B13R1.149 Cc1cccc(c1)CNCC(C)O 270004a_100000210904_100000211157 [0,1,0,0,0,0|2,0,1]=4 1092 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000185548_100011218427 [0,1,0,0,0,0|2,0,1]=4 1093 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000210904_100000211840 [0,1,0,0,0,0|2,0,1]=4 1094 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 2230a_100000185548_100009817552 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 34a_100000185548_100009817552 [0,1,0,0,0,0|2,0,1]=4 1096 B13R1.149 Cc1cccc(c1)CNC[N+](=O)[O-] 34a_100000185548_100000761209 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [0,1,0,0,0,0|2,0,0]=3 1098 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [0,1,0,0,0,0|2,0,0]=3 1099 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [0,1,0,0,0,0|1,0,1]=3 1100 B13R1.149 Cc1cccc(c1)COCC(C)O 34a_100011217746_100011218427 [0,1,0,0,0,0|2,0,1]=4 1101 B13R1.149 Cc1cccc(c1)COCC(C)O 7a_100011217746_100011218427 [0,1,0,0,0,0|2,0,1]=4 1102 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 34a_100011217746_100009817552 [0,1,0,0,0,0|2,0,1]=4 1103 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 7a_100011217746_100009817552 [0,1,0,0,0,0|2,0,1]=4 1104 B13R1.149 Cc1cccc(c1)COC[N+](=O)[O-] 34a_100011217746_100000761209 [0,1,0,0,0,0|2,0,1]=4 1105 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [0,1,0,0,0,0|2,0,0]=3 1106 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [0,1,0,0,0,0|2,0,0]=3 1107 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100000211840_100020667443 [0,1,0,0,0,0|1,0,1]=3 1108 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211840 [0,1,0,0,0,0|1,0,1]=3 1109 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100000211840_100011218427 [0,1,0,0,0,0|2,0,1]=4 1110 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100011218427_100000211840 [0,1,0,0,0,0|2,0,1]=4 1111 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100000211840_100009817552 [0,1,0,0,0,0|2,0,1]=4 1112 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100009817552_100000211840 [0,1,0,0,0,0|2,0,1]=4 1113 B13R1.149 Cc1cccc(c1)CSC[N+](=O)[O-] 62a_100000211840_100000761209 [0,1,0,0,0,0|2,0,1]=4 1114 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [0,1,0,0,0,0|2,0,0]=3 1115 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [0,1,0,0,0,0|2,0,0]=3 1116 B13R1.149 Cc1cccc(c1)NCCC(C)O 2230a_100000188690_100012276601 [0,1,0,0,0,0|2,0,1]=4 1117 B13R1.149 Cc1cccc(c1)NCCC(C)O 34a_100000188690_100012276601 [0,1,0,0,0,0|2,0,1]=4 1118 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [0,1,0,0,0,0|2,0,0]=3 1119 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [0,1,0,0,0,0|2,0,0]=3 1120 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,1,0,0,0,0|2,0,0]=3 1121 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,1,0,0,0,0|2,0,1]=4 1122 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,1,0,0,0,0|2,0,1]=4 1123 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [0,1,0,0,0,0|2,0,0]=3 1124 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [0,1,0,0,0,0|2,0,0]=3 1125 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100011215228_100012276601 [0,1,0,0,0,0|2,0,1]=4 1126 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100012276601_100011215228 [0,1,0,0,0,0|2,0,1]=4 1127 B13R1.149 Cc1cccc(n1)CNCC(=O)N 2230a_100000711301_100000757606 [0,1,0,0,0,0|3,0,0]=4 1128 B13R1.149 Cc1cccc(n1)CNCC(=O)N 34a_100000701342_100000187820 [0,1,0,0,0,0|3,0,0]=4 1129 B13R1.149 Cc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000757606 [0,1,0,0,0,0|2,0,0]=3 1130 B13R1.149 Cc1cccc(n1)CNCC(=O)[O-] 34a_100000701342_100020667443 [0,1,0,0,0,0|2,0,1]=4 1131 B13R1.149 Cc1cccc(n1)COCC(=O)N 34a_100000690600_100000187820 [0,1,0,0,0,0|3,0,0]=4 1132 B13R1.149 Cc1cccc(n1)COCC(=O)[O-] 34a_100000690600_100020667443 [0,1,0,0,0,0|2,0,1]=4 1133 B13R1.149 Cc1cccc(n1)CSCC(=O)N 62a_100000747473_100000757606 [0,1,0,0,0,0|3,0,0]=4 1134 B13R1.149 Cc1cccc(n1)CSCC(=O)N 62a_100000757606_100000747473 [0,1,0,0,0,0|3,0,0]=4 1135 B13R1.149 Cc1cccc(n1)CSCC(=O)[O-] 62a_100000757606_100020667443 [0,1,0,0,0,0|2,0,1]=4 1136 B13R1.149 Cc1cccc(n1)CSCC(=O)[O-] 62a_100020667443_100000757606 [0,1,0,0,0,0|2,0,1]=4 1137 B13R1.149 Cc1cccc(n1)SCCC(=O)N 62a_100000742759_100000744528 [0,1,0,0,0,0|3,0,0]=4 1138 B13R1.149 Cc1cccc(n1)SCCC(=O)N 62a_100000744528_100000742759 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.149 Cc1ccnc(c1)CNCC(=O)N 2230a_100000711301_100000718516 [0,1,0,0,0,0|3,0,0]=4 1140 B13R1.149 Cc1ccnc(c1)CNCC(=O)O 269956a_100016091260_100000718516 [0,1,0,0,0,0|2,0,0]=3 1141 B13R1.149 Cc1ccnc(c1)COCC(=O)N 34a_100011998357_100000187820 [0,1,0,0,0,0|3,0,0]=4 1142 B13R1.149 Cc1ccnc(c1)COCC(=O)[O-] 34a_100011998357_100020667443 [0,1,0,0,0,0|2,0,1]=4 1143 B13R1.149 Cc1ccnc(c1)CSCC(=O)N 62a_100000718516_100000747473 [0,1,0,0,0,0|3,0,0]=4 1144 B13R1.149 Cc1ccnc(c1)CSCC(=O)N 62a_100000747473_100000718516 [0,1,0,0,0,0|3,0,0]=4 1145 B13R1.149 Cc1ccnc(c1)CSCC(=O)[O-] 62a_100000718516_100020667443 [0,1,0,0,0,0|2,0,1]=4 1146 B13R1.149 Cc1ccnc(c1)CSCC(=O)[O-] 62a_100020667443_100000718516 [0,1,0,0,0,0|2,0,1]=4 1147 B13R1.149 Cc1ccnc(c1)SCCC(=O)N 62a_100000744528_100000750283 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.149 Cc1ccnc(c1)SCCC(=O)N 62a_100000750283_100000744528 [0,1,0,0,0,0|3,0,0]=4 1149 B13R1.149 Cc1cncc(c1)CNCC(=O)N 2230a_100000692839_100000747473 [0,1,0,0,0,0|3,0,0]=4 1150 B13R1.149 Cc1cncc(c1)CNCC(=O)N 2230a_100000711301_100000716715 [0,1,0,0,0,0|3,0,0]=4 1151 B13R1.149 Cc1cncc(c1)CNCC(=O)N 34a_100000692839_100000187820 [0,1,0,0,0,0|3,0,0]=4 1152 B13R1.149 Cc1cncc(c1)CNCC(=O)O 269956a_100016091260_100016988603 [0,1,0,0,0,0|2,0,0]=3 1153 B13R1.149 Cc1cncc(c1)CNCC(=O)[O-] 34a_100000692839_100020667443 [0,1,0,0,0,0|2,0,1]=4 1154 B13R1.149 Cc1cncc(c1)COCC(=O)N 34a_100011998709_100000187820 [0,1,0,0,0,0|3,0,0]=4 1155 B13R1.149 Cc1cncc(c1)COCC(=O)N 7a_100011998709_100000187820 [0,1,0,0,0,0|3,0,0]=4 1156 B13R1.149 Cc1cncc(c1)COCC(=O)[O-] 34a_100011998709_100020667443 [0,1,0,0,0,0|2,0,1]=4 1157 B13R1.149 Cc1cncc(c1)CSCC(=O)N 62a_100000716715_100000747473 [0,1,0,0,0,0|3,0,0]=4 1158 B13R1.149 Cc1cncc(c1)CSCC(=O)N 62a_100000747473_100000716715 [0,1,0,0,0,0|3,0,0]=4 1159 B13R1.149 Cc1cncc(c1)CSCC(=O)[O-] 62a_100000716715_100020667443 [0,1,0,0,0,0|2,0,1]=4 1160 B13R1.149 Cc1cncc(c1)CSCC(=O)[O-] 62a_100020667443_100000716715 [0,1,0,0,0,0|2,0,1]=4 1161 B13R1.149 Cc1cncc(c1)OCCC(=O)N 34a_100011830280_100000731001 [0,1,0,0,0,0|3,0,0]=4 1162 B13R1.149 Cc1cncc(c1)OCCC(=O)N 7a_100011830280_100000744528 [0,1,0,0,0,0|3,0,0]=4 1163 B13R1.149 Cc1cncc(c1)SCCC(=O)N 62a_100000744528_100000760492 [0,1,0,0,0,0|3,0,0]=4 1164 B13R1.149 Cc1cncc(c1)SCCC(=O)N 62a_100000760492_100000744528 [0,1,0,0,0,0|3,0,0]=4 1165 B13R1.149 NC(=O)CCNc1cc(ccn1)F 27a_100000740010_100000764206 [0,1,0,0,0,0|3,0,0]=4 1166 B13R1.149 NC(=O)CCNc1cc[nH]c(=O)c1 27a_100000740010_100000061649 [0,1,0,0,0,0|3,0,0]=4 1167 B13R1.149 NC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000731001 [0,1,0,0,0,0|2,0,0]=3 1168 B13R1.149 NC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000731001 [0,1,0,0,0,0|2,0,0]=3 1169 B13R1.149 NC(=O)CCNc1cccc(c1)F 34a_100000210047_100000731001 [0,1,0,0,0,0|2,0,0]=3 1170 B13R1.149 NC(=O)CCNc1cccc(c1)I 34a_100000211102_100000731001 [0,1,0,0,0,0|2,0,0]=3 1171 B13R1.149 NC(=O)CCNc1cccc(c1)O 34a_100000210217_100000731001 [0,1,0,0,0,0|2,0,0]=3 1172 B13R1.149 NC(=O)CCNc1cccc(n1)F 27a_100000740010_100009815982 [0,1,0,0,0,0|3,0,0]=4 1173 B13R1.149 NC(=O)CCNc1ccnc(c1)F 27a_100000740010_100009816116 [0,1,0,0,0,0|3,0,0]=4 1174 B13R1.149 NC(=O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000731001 [0,1,0,0,0,0|3,0,0]=4 1175 B13R1.149 NC(=O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000731001 [0,1,0,0,0,0|3,0,0]=4 1176 B13R1.149 NC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000744528 [0,1,0,0,0,0|3,0,0]=4 1177 B13R1.149 NC(=O)CCOc1cccc(=O)[nH]1 34a_100000033347_100000731001 [0,1,0,0,0,0|3,0,0]=4 1178 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [0,1,0,0,0,0|2,0,0]=3 1179 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [0,1,0,0,0,0|2,0,0]=3 1180 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [0,1,0,0,0,0|2,0,0]=3 1181 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [0,1,0,0,0,0|2,0,0]=3 1182 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [0,1,0,0,0,0|2,0,0]=3 1183 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [0,1,0,0,0,0|2,0,0]=3 1184 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [0,1,0,0,0,0|2,0,0]=3 1185 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [0,1,0,0,0,0|2,0,0]=3 1186 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [0,1,0,0,0,0|2,0,0]=3 1187 B13R1.149 NC(=O)CCOc1cccc(n1)F 34a_100011432558_100000731001 [0,1,0,0,0,0|3,0,0]=4 1188 B13R1.149 NC(=O)CCOc1ccnc(c1)Cl 34a_100000762945_100000731001 [0,1,0,0,0,0|3,0,0]=4 1189 B13R1.149 NC(=O)CCOc1ccnc(c1)F 34a_100000732698_100000731001 [0,1,0,0,0,0|3,0,0]=4 1190 B13R1.149 NC(=O)CCOc1ccnc(c1)N 34a_100011834064_100000731001 [0,1,0,0,0,0|3,0,0]=4 1191 B13R1.149 NC(=O)CCOc1cncc(c1)Br 34a_100000754920_100000731001 [0,1,0,0,0,0|3,0,0]=4 1192 B13R1.149 NC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000744528 [0,1,0,0,0,0|3,0,0]=4 1193 B13R1.149 NC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000744528 [0,1,0,0,0,0|3,0,0]=4 1194 B13R1.149 NC(=O)CCOc1cncc(c1)F 34a_100011830296_100000731001 [0,1,0,0,0,0|3,0,0]=4 1195 B13R1.149 NC(=O)CCOc1cncc(c1)F 7a_100011830296_100000744528 [0,1,0,0,0,0|3,0,0]=4 1196 B13R1.149 NC(=O)CCOc1cncc(c1)N 34a_100011997051_100000731001 [0,1,0,0,0,0|3,0,0]=4 1197 B13R1.149 NC(=O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000744528 [0,1,0,0,0,0|3,0,0]=4 1198 B13R1.149 NC(=O)CCSc1cc(ccn1)Cl 62a_100000744528_100010167805 [0,1,0,0,0,0|3,0,0]=4 1199 B13R1.149 NC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000744528 [0,1,0,0,0,0|3,0,0]=4 1200 B13R1.149 NC(=O)CCSc1cc(ccn1)F 62a_100000744528_100000764206 [0,1,0,0,0,0|3,0,0]=4 1201 B13R1.149 NC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000744528 [0,1,0,0,0,0|3,0,0]=4 1202 B13R1.149 NC(=O)CCSc1cc(ccn1)N 62a_100000744528_100009814236 [0,1,0,0,0,0|3,0,0]=4 1203 B13R1.149 NC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000744528 [0,1,0,0,0,0|3,0,0]=4 1204 B13R1.149 NC(=O)CCSc1cc(ccn1)O 62a_100000744528_100000762945 [0,1,0,0,0,0|3,0,0]=4 1205 B13R1.149 NC(=O)CCSc1cc[nH]c(=O)c1 62a_100000744528_100009816521 [0,1,0,0,0,0|3,0,0]=4 1206 B13R1.149 NC(=O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000744528 [0,1,0,0,0,0|3,0,0]=4 1207 B13R1.149 NC(=O)CCSc1ccc[n+](c1)[O-] 62a_100000744528_100009815978 [0,1,0,0,0,0|3,0,0]=4 1208 B13R1.149 NC(=O)CCSc1cccc(=O)[nH]1 62a_100000744528_100000752884 [0,1,0,0,0,0|3,0,0]=4 1209 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000744528 [0,1,0,0,0,0|2,0,0]=3 1210 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000744528_100000691529 [0,1,0,0,0,0|2,0,0]=3 1211 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000744528 [0,1,0,0,0,0|2,0,0]=3 1212 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000744528_100000699651 [0,1,0,0,0,0|2,0,0]=3 1213 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000685547_100000744528 [0,1,0,0,0,0|2,0,0]=3 1214 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000744528_100000685547 [0,1,0,0,0,0|2,0,0]=3 1215 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000210019_100000744528 [0,1,0,0,0,0|2,0,0]=3 1216 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000744528_100000210019 [0,1,0,0,0,0|2,0,0]=3 1217 B13R1.149 NC(=O)CCSc1cccc(c1)O 62a_100000744528_100000211634 [0,1,0,0,0,0|2,0,0]=3 1218 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_100000744528_114929384022 [0,1,0,0,0,0|2,0,0]=3 1219 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000744528 [0,1,0,0,0,0|2,0,0]=3 1220 B13R1.149 NC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000744528 [0,1,0,0,0,0|3,0,0]=4 1221 B13R1.149 NC(=O)CCSc1cccc(n1)Br 62a_100000744528_100000684672 [0,1,0,0,0,0|3,0,0]=4 1222 B13R1.149 NC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000744528 [0,1,0,0,0,0|3,0,0]=4 1223 B13R1.149 NC(=O)CCSc1cccc(n1)Cl 62a_100000744528_100000051397 [0,1,0,0,0,0|3,0,0]=4 1224 B13R1.149 NC(=O)CCSc1cccc(n1)F 62a_100000744528_100009815982 [0,1,0,0,0,0|3,0,0]=4 1225 B13R1.149 NC(=O)CCSc1cccc(n1)F 62a_100009815982_100000744528 [0,1,0,0,0,0|3,0,0]=4 1226 B13R1.149 NC(=O)CCSc1cccc(n1)N 62a_100000740741_100000744528 [0,1,0,0,0,0|3,0,0]=4 1227 B13R1.149 NC(=O)CCSc1cccc(n1)N 62a_100000744528_100000740741 [0,1,0,0,0,0|3,0,0]=4 1228 B13R1.149 NC(=O)CCSc1ccnc(c1)Br 62a_100000744528_100009814637 [0,1,0,0,0,0|3,0,0]=4 1229 B13R1.149 NC(=O)CCSc1ccnc(c1)Br 62a_100009814637_100000744528 [0,1,0,0,0,0|3,0,0]=4 1230 B13R1.149 NC(=O)CCSc1ccnc(c1)Cl 62a_100000035001_100000744528 [0,1,0,0,0,0|3,0,0]=4 1231 B13R1.149 NC(=O)CCSc1ccnc(c1)Cl 62a_100000744528_100000035001 [0,1,0,0,0,0|3,0,0]=4 1232 B13R1.149 NC(=O)CCSc1ccnc(c1)F 62a_100000744528_100009816116 [0,1,0,0,0,0|3,0,0]=4 1233 B13R1.149 NC(=O)CCSc1ccnc(c1)F 62a_100009816116_100000744528 [0,1,0,0,0,0|3,0,0]=4 1234 B13R1.149 NC(=O)CCSc1ccnc(c1)N 62a_100000049665_100000744528 [0,1,0,0,0,0|3,0,0]=4 1235 B13R1.149 NC(=O)CCSc1ccnc(c1)N 62a_100000744528_100000049665 [0,1,0,0,0,0|3,0,0]=4 1236 B13R1.149 NC(=O)CCSc1cncc(c1)Br 62a_100000728054_100000744528 [0,1,0,0,0,0|3,0,0]=4 1237 B13R1.149 NC(=O)CCSc1cncc(c1)Br 62a_100000744528_100000728054 [0,1,0,0,0,0|3,0,0]=4 1238 B13R1.149 NC(=O)CCSc1cncc(c1)Cl 62a_100000049639_100000744528 [0,1,0,0,0,0|3,0,0]=4 1239 B13R1.149 NC(=O)CCSc1cncc(c1)Cl 62a_100000744528_100000049639 [0,1,0,0,0,0|3,0,0]=4 1240 B13R1.149 NC(=O)CCSc1cncc(c1)F 62a_100000744099_100000744528 [0,1,0,0,0,0|3,0,0]=4 1241 B13R1.149 NC(=O)CCSc1cncc(c1)F 62a_100000744528_100000744099 [0,1,0,0,0,0|3,0,0]=4 1242 B13R1.149 NC(=O)CCSc1cncc(c1)N 62a_100000687067_100000744528 [0,1,0,0,0,0|3,0,0]=4 1243 B13R1.149 NC(=O)CCSc1cncc(c1)N 62a_100000744528_100000687067 [0,1,0,0,0,0|3,0,0]=4 1244 B13R1.149 NC(=O)CCSc1cncc(c1)O 62a_100000744528_100000754920 [0,1,0,0,0,0|3,0,0]=4 1245 B13R1.149 NC(=O)CCSc1cncc(c1)O 62a_100000754920_100000744528 [0,1,0,0,0,0|3,0,0]=4 1246 B13R1.149 NC(=O)CNCc1cc(ccn1)Br 2230a_100000711301_100010173614 [0,1,0,0,0,0|3,0,0]=4 1247 B13R1.149 NC(=O)CNCc1cc(ccn1)Cl 2230a_100000711301_100016988179 [0,1,0,0,0,0|3,0,0]=4 1248 B13R1.149 NC(=O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100000747473 [0,1,0,0,0,0|3,0,0]=4 1249 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747473 [0,1,0,0,0,0|2,0,0]=3 1250 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000711301_100000698116 [0,1,0,0,0,0|2,0,0]=3 1251 B13R1.149 NC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000187820 [0,1,0,0,0,0|2,0,0]=3 1252 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747473 [0,1,0,0,0,0|2,0,0]=3 1253 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000711301_100000181238 [0,1,0,0,0,0|2,0,0]=3 1254 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000187820 [0,1,0,0,0,0|2,0,0]=3 1255 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747473 [0,1,0,0,0,0|2,0,0]=3 1256 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000711301_100000230114 [0,1,0,0,0,0|2,0,0]=3 1257 B13R1.149 NC(=O)CNCc1cccc(c1)F 34a_100000174948_100000187820 [0,1,0,0,0,0|2,0,0]=3 1258 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747473 [0,1,0,0,0,0|2,0,0]=3 1259 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000711301_100011218688 [0,1,0,0,0,0|2,0,0]=3 1260 B13R1.149 NC(=O)CNCc1cccc(c1)I 34a_100000106179_100000187820 [0,1,0,0,0,0|2,0,0]=3 1261 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000711301_100011660834 [0,1,0,0,0,0|2,0,0]=3 1262 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747473 [0,1,0,0,0,0|2,0,0]=3 1263 B13R1.149 NC(=O)CNCc1cccc(c1)O 34a_100000743036_100000187820 [0,1,0,0,0,0|2,0,0]=3 1264 B13R1.149 NC(=O)CNCc1cccc(n1)Br 2230a_100000711301_100009889011 [0,1,0,0,0,0|3,0,0]=4 1265 B13R1.149 NC(=O)CNCc1cccc(n1)Br 2230a_100016987751_100000747473 [0,1,0,0,0,0|3,0,0]=4 1266 B13R1.149 NC(=O)CNCc1cccc(n1)Cl 2230a_100000711301_100000086093 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.149 NC(=O)CNCc1cccc(n1)Cl 2230a_100016990191_100000747473 [0,1,0,0,0,0|3,0,0]=4 1268 B13R1.149 NC(=O)CNCc1cccc(n1)F 2230a_100000711301_100009819644 [0,1,0,0,0,0|3,0,0]=4 1269 B13R1.149 NC(=O)CNCc1cccc(n1)F 2230a_100015188798_100000747473 [0,1,0,0,0,0|3,0,0]=4 1270 B13R1.149 NC(=O)CNCc1cccc(n1)F 34a_100015188798_100000187820 [0,1,0,0,0,0|3,0,0]=4 1271 B13R1.149 NC(=O)CNCc1ccnc(c1)Br 2230a_100000711301_100010243470 [0,1,0,0,0,0|3,0,0]=4 1272 B13R1.149 NC(=O)CNCc1ccnc(c1)Br 2230a_100025757509_100000747473 [0,1,0,0,0,0|3,0,0]=4 1273 B13R1.149 NC(=O)CNCc1ccnc(c1)Br 34a_100025757509_100000187820 [0,1,0,0,0,0|3,0,0]=4 1274 B13R1.149 NC(=O)CNCc1ccnc(c1)Cl 2230a_100000711301_100000764220 [0,1,0,0,0,0|3,0,0]=4 1275 B13R1.149 NC(=O)CNCc1ccnc(c1)Cl 2230a_100015205668_100000747473 [0,1,0,0,0,0|3,0,0]=4 1276 B13R1.149 NC(=O)CNCc1ccnc(c1)Cl 34a_100015205668_100000187820 [0,1,0,0,0,0|3,0,0]=4 1277 B13R1.149 NC(=O)CNCc1ccnc(c1)F 2230a_100015188774_100000747473 [0,1,0,0,0,0|3,0,0]=4 1278 B13R1.149 NC(=O)CNCc1ccnc(c1)F 34a_100015188774_100000187820 [0,1,0,0,0,0|3,0,0]=4 1279 B13R1.149 NC(=O)CNCc1cncc(c1)Br 2230a_100000711301_100000738771 [0,1,0,0,0,0|3,0,0]=4 1280 B13R1.149 NC(=O)CNCc1cncc(c1)Cl 2230a_100000711301_100016992070 [0,1,0,0,0,0|3,0,0]=4 1281 B13R1.149 NC(=O)CNCc1cncc(c1)Cl 2230a_200020614424_100000747473 [0,1,0,0,0,0|3,0,0]=4 1282 B13R1.149 NC(=O)CNCc1cncc(c1)F 2230a_100000711301_100000725299 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.149 NC(=O)CNCc1cncc(c1)F 2230a_100011962886_100000747473 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.149 NC(=O)CNCc1cncc(c1)F 34a_100011962886_100000187820 [0,1,0,0,0,0|3,0,0]=4 1285 B13R1.149 NC(=O)COCc1cc(ccn1)Cl 34a_100000748867_100000187820 [0,1,0,0,0,0|3,0,0]=4 1286 B13R1.149 NC(=O)COCc1cc(ccn1)N 34a_100000692640_100000187820 [0,1,0,0,0,0|3,0,0]=4 1287 B13R1.149 NC(=O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000187820 [0,1,0,0,0,0|3,0,0]=4 1288 B13R1.149 NC(=O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000187820 [0,1,0,0,0,0|3,0,0]=4 1289 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [0,1,0,0,0,0|2,0,0]=3 1290 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [0,1,0,0,0,0|2,0,0]=3 1291 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [0,1,0,0,0,0|2,0,0]=3 1292 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [0,1,0,0,0,0|2,0,0]=3 1293 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [0,1,0,0,0,0|2,0,0]=3 1294 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [0,1,0,0,0,0|2,0,0]=3 1295 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [0,1,0,0,0,0|2,0,0]=3 1296 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [0,1,0,0,0,0|2,0,0]=3 1297 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [0,1,0,0,0,0|2,0,0]=3 1298 B13R1.149 NC(=O)COCc1cccc(n1)Br 34a_100000694195_100000187820 [0,1,0,0,0,0|3,0,0]=4 1299 B13R1.149 NC(=O)COCc1cccc(n1)Cl 34a_100011998359_100000187820 [0,1,0,0,0,0|3,0,0]=4 1300 B13R1.149 NC(=O)COCc1cccc(n1)F 34a_100000086748_100000187820 [0,1,0,0,0,0|3,0,0]=4 1301 B13R1.149 NC(=O)COCc1ccnc(c1)Br 34a_100009814636_100000187820 [0,1,0,0,0,0|3,0,0]=4 1302 B13R1.149 NC(=O)COCc1ccnc(c1)Br 7a_100009814636_100000187820 [0,1,0,0,0,0|3,0,0]=4 1303 B13R1.149 NC(=O)COCc1ccnc(c1)Cl 34a_100000748751_100000187820 [0,1,0,0,0,0|3,0,0]=4 1304 B13R1.149 NC(=O)COCc1ccnc(c1)F 34a_100000082451_100000187820 [0,1,0,0,0,0|3,0,0]=4 1305 B13R1.149 NC(=O)COCc1cncc(c1)Br 34a_100011259137_100000187820 [0,1,0,0,0,0|3,0,0]=4 1306 B13R1.149 NC(=O)COCc1cncc(c1)Br 7a_100011259137_100000187820 [0,1,0,0,0,0|3,0,0]=4 1307 B13R1.149 NC(=O)COCc1cncc(c1)Cl 34a_100000092867_100000187820 [0,1,0,0,0,0|3,0,0]=4 1308 B13R1.149 NC(=O)COCc1cncc(c1)Cl 7a_100000092867_100000187820 [0,1,0,0,0,0|3,0,0]=4 1309 B13R1.149 NC(=O)COCc1cncc(c1)F 34a_100011962875_100000187820 [0,1,0,0,0,0|3,0,0]=4 1310 B13R1.149 NC(=O)COCc1cncc(c1)F 7a_100011962875_100000187820 [0,1,0,0,0,0|3,0,0]=4 1311 B13R1.149 NC(=O)COCc1cncc(c1)N 34a_100000085308_100000187820 [0,1,0,0,0,0|3,0,0]=4 1312 B13R1.149 NC(=O)CSCc1cc(ccn1)Br 62a_100000747473_100010173614 [0,1,0,0,0,0|3,0,0]=4 1313 B13R1.149 NC(=O)CSCc1cc(ccn1)Br 62a_100010173614_100000747473 [0,1,0,0,0,0|3,0,0]=4 1314 B13R1.149 NC(=O)CSCc1cc(ccn1)Cl 62a_100000747473_100016988179 [0,1,0,0,0,0|3,0,0]=4 1315 B13R1.149 NC(=O)CSCc1cc(ccn1)Cl 62a_100016988179_100000747473 [0,1,0,0,0,0|3,0,0]=4 1316 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [0,1,0,0,0,0|2,0,0]=3 1317 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [0,1,0,0,0,0|2,0,0]=3 1318 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [0,1,0,0,0,0|2,0,0]=3 1319 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [0,1,0,0,0,0|2,0,0]=3 1320 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [0,1,0,0,0,0|2,0,0]=3 1321 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [0,1,0,0,0,0|2,0,0]=3 1322 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [0,1,0,0,0,0|2,0,0]=3 1323 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [0,1,0,0,0,0|2,0,0]=3 1324 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [0,1,0,0,0,0|2,0,0]=3 1325 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [0,1,0,0,0,0|2,0,0]=3 1326 B13R1.149 NC(=O)CSCc1cccc(n1)Br 62a_100000747473_100009889011 [0,1,0,0,0,0|3,0,0]=4 1327 B13R1.149 NC(=O)CSCc1cccc(n1)Br 62a_100009889011_100000747473 [0,1,0,0,0,0|3,0,0]=4 1328 B13R1.149 NC(=O)CSCc1cccc(n1)Cl 62a_100000086093_100000747473 [0,1,0,0,0,0|3,0,0]=4 1329 B13R1.149 NC(=O)CSCc1cccc(n1)Cl 62a_100000747473_100000086093 [0,1,0,0,0,0|3,0,0]=4 1330 B13R1.149 NC(=O)CSCc1cccc(n1)F 62a_100000747473_100009819644 [0,1,0,0,0,0|3,0,0]=4 1331 B13R1.149 NC(=O)CSCc1cccc(n1)F 62a_100009819644_100000747473 [0,1,0,0,0,0|3,0,0]=4 1332 B13R1.149 NC(=O)CSCc1ccnc(c1)Br 62a_100000747473_100010243470 [0,1,0,0,0,0|3,0,0]=4 1333 B13R1.149 NC(=O)CSCc1ccnc(c1)Br 62a_100010254460_100000747473 [0,1,0,0,0,0|3,0,0]=4 1334 B13R1.149 NC(=O)CSCc1ccnc(c1)Cl 62a_100000747473_100000764220 [0,1,0,0,0,0|3,0,0]=4 1335 B13R1.149 NC(=O)CSCc1ccnc(c1)Cl 62a_100000764220_100000747473 [0,1,0,0,0,0|3,0,0]=4 1336 B13R1.149 NC(=O)CSCc1cncc(c1)Br 62a_100000738771_100000747473 [0,1,0,0,0,0|3,0,0]=4 1337 B13R1.149 NC(=O)CSCc1cncc(c1)Br 62a_100000747473_100000738771 [0,1,0,0,0,0|3,0,0]=4 1338 B13R1.149 NC(=O)CSCc1cncc(c1)Cl 62a_100000747473_100016992070 [0,1,0,0,0,0|3,0,0]=4 1339 B13R1.149 NC(=O)CSCc1cncc(c1)Cl 62a_100016992070_100000747473 [0,1,0,0,0,0|3,0,0]=4 1340 B13R1.149 NC(=O)CSCc1cncc(c1)F 62a_100000725299_100000747473 [0,1,0,0,0,0|3,0,0]=4 1341 B13R1.149 NC(=O)CSCc1cncc(c1)F 62a_100000747473_100000725299 [0,1,0,0,0,0|3,0,0]=4 1342 B13R1.149 Nc1cccc(c1)COCC(=O)[O-] 34a_100000211919_100020667443 [0,1,0,0,0,0|1,0,1]=3 1343 B13R1.149 Nc1cccc(c1)COC[N+](=O)[O-] 34a_100000211919_100000761209 [0,1,0,0,0,0|2,0,1]=4 1344 B13R1.149 Nc1ccnc(c1)COCC(=O)[O-] 34a_100000692640_100020667443 [0,1,0,0,0,0|2,0,1]=4 1345 B13R1.149 Nc1cncc(c1)COCC(=O)[O-] 34a_100000085308_100020667443 [0,1,0,0,0,0|2,0,1]=4 1346 B13R1.149 O=C(O)CNCc1cc(ccn1)Br 269956a_100016091260_100010173614 [0,1,0,0,0,0|2,0,0]=3 1347 B13R1.149 O=C(O)CNCc1cc(ccn1)Cl 269956a_100016091260_100016988179 [0,1,0,0,0,0|2,0,0]=3 1348 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,0|1,0,0]=2 1349 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,0|1,0,0]=2 1350 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,0|1,0,0]=2 1351 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,0|1,0,0]=2 1352 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,0|1,0,0]=2 1353 B13R1.149 O=C(O)CNCc1cccc(n1)Br 269956a_100016091260_100009889011 [0,1,0,0,0,0|2,0,0]=3 1354 B13R1.149 O=C(O)CNCc1cccc(n1)Cl 269956a_100016091260_100000086093 [0,1,0,0,0,0|2,0,0]=3 1355 B13R1.149 O=C(O)CNCc1cccc(n1)F 269956a_100016091260_100009819644 [0,1,0,0,0,0|2,0,0]=3 1356 B13R1.149 O=C(O)CNCc1ccnc(c1)Br 269956a_100016091260_100010254460 [0,1,0,0,0,0|2,0,0]=3 1357 B13R1.149 O=C(O)CNCc1ccnc(c1)Cl 269956a_100016091260_100000764220 [0,1,0,0,0,0|2,0,0]=3 1358 B13R1.149 O=C(O)CNCc1ccnc(n1)Cl 269956a_100016091260_100000099655 [0,1,0,0,0,0|3,0,0]=4 1359 B13R1.149 O=C(O)CNCc1cncc(c1)Br 269956a_100016091260_100000738771 [0,1,0,0,0,0|2,0,0]=3 1360 B13R1.149 O=C(O)CNCc1cncc(c1)Cl 269956a_100016091260_100016992070 [0,1,0,0,0,0|2,0,0]=3 1361 B13R1.149 O=C(O)CNCc1cncc(c1)F 269956a_100016091260_100000725299 [0,1,0,0,0,0|2,0,0]=3 1362 B13R1.149 O=C([O-])CNCc1cccc(c1)Br 34a_100000174977_100020667443 [0,1,0,0,0,0|1,0,1]=3 1363 B13R1.149 O=C([O-])CNCc1cccc(c1)Cl 34a_100000174878_100020667443 [0,1,0,0,0,0|1,0,1]=3 1364 B13R1.149 O=C([O-])CNCc1cccc(c1)F 34a_100000174948_100020667443 [0,1,0,0,0,0|1,0,1]=3 1365 B13R1.149 O=C([O-])CNCc1cccc(c1)I 34a_100000106179_100020667443 [0,1,0,0,0,0|1,0,1]=3 1366 B13R1.149 O=C([O-])CNCc1cccc(c1)O 34a_100000743036_100020667443 [0,1,0,0,0,0|1,0,1]=3 1367 B13R1.149 O=C([O-])CNCc1cccc(n1)F 34a_100015188798_100020667443 [0,1,0,0,0,0|2,0,1]=4 1368 B13R1.149 O=C([O-])CNCc1ccnc(c1)Br 34a_100025757509_100020667443 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.149 O=C([O-])CNCc1ccnc(c1)Cl 34a_100015205668_100020667443 [0,1,0,0,0,0|2,0,1]=4 1370 B13R1.149 O=C([O-])CNCc1ccnc(c1)F 34a_100015188774_100020667443 [0,1,0,0,0,0|2,0,1]=4 1371 B13R1.149 O=C([O-])CNCc1cncc(c1)F 34a_100011962886_100020667443 [0,1,0,0,0,0|2,0,1]=4 1372 B13R1.149 O=C([O-])COCc1cc(ccn1)Cl 34a_100000748867_100020667443 [0,1,0,0,0,0|2,0,1]=4 1373 B13R1.149 O=C([O-])COCc1ccc[n+](c1)[O-] 34a_100000037817_100020667443 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.149 O=C([O-])COCc1cccc(c1)Br 34a_100000687537_100020667443 [0,1,0,0,0,0|1,0,1]=3 1375 B13R1.149 O=C([O-])COCc1cccc(c1)Cl 34a_100000241301_100020667443 [0,1,0,0,0,0|1,0,1]=3 1376 B13R1.149 O=C([O-])COCc1cccc(c1)F 34a_100000210976_100020667443 [0,1,0,0,0,0|1,0,1]=3 1377 B13R1.149 O=C([O-])COCc1cccc(c1)I 34a_100011215336_100020667443 [0,1,0,0,0,0|1,0,1]=3 1378 B13R1.149 O=C([O-])COCc1cccc(n1)Br 34a_100000694195_100020667443 [0,1,0,0,0,0|2,0,1]=4 1379 B13R1.149 O=C([O-])COCc1cccc(n1)Cl 34a_100011998359_100020667443 [0,1,0,0,0,0|2,0,1]=4 1380 B13R1.149 O=C([O-])COCc1cccc(n1)F 34a_100000086748_100020667443 [0,1,0,0,0,0|2,0,1]=4 1381 B13R1.149 O=C([O-])COCc1ccnc(c1)Br 34a_100009814636_100020667443 [0,1,0,0,0,0|2,0,1]=4 1382 B13R1.149 O=C([O-])COCc1ccnc(c1)Cl 34a_100000748751_100020667443 [0,1,0,0,0,0|2,0,1]=4 1383 B13R1.149 O=C([O-])COCc1ccnc(c1)F 34a_100000082451_100020667443 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.149 O=C([O-])COCc1cncc(c1)Br 34a_100011259137_100020667443 [0,1,0,0,0,0|2,0,1]=4 1385 B13R1.149 O=C([O-])COCc1cncc(c1)Cl 34a_100000092867_100020667443 [0,1,0,0,0,0|2,0,1]=4 1386 B13R1.149 O=C([O-])COCc1cncc(c1)F 34a_100011962875_100020667443 [0,1,0,0,0,0|2,0,1]=4 1387 B13R1.149 O=C([O-])CSCc1cc(ccn1)Br 62a_100010173614_100020667443 [0,1,0,0,0,0|2,0,1]=4 1388 B13R1.149 O=C([O-])CSCc1cc(ccn1)Br 62a_100020667443_100010173614 [0,1,0,0,0,0|2,0,1]=4 1389 B13R1.149 O=C([O-])CSCc1cc(ccn1)Cl 62a_100016988179_100020667443 [0,1,0,0,0,0|2,0,1]=4 1390 B13R1.149 O=C([O-])CSCc1cc(ccn1)Cl 62a_100020667443_100016988179 [0,1,0,0,0,0|2,0,1]=4 1391 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100000211773_100020667443 [0,1,0,0,0,0|1,0,1]=3 1392 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100020667443_100000211773 [0,1,0,0,0,0|1,0,1]=3 1393 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100000187163_100020667443 [0,1,0,0,0,0|1,0,1]=3 1394 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100020667443_100000187163 [0,1,0,0,0,0|1,0,1]=3 1395 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100000230114_100020667443 [0,1,0,0,0,0|1,0,1]=3 1396 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100020667443_100000230114 [0,1,0,0,0,0|1,0,1]=3 1397 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100011218688_100020667443 [0,1,0,0,0,0|1,0,1]=3 1398 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100020667443_100011218688 [0,1,0,0,0,0|1,0,1]=3 1399 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100011660834_100020667443 [0,1,0,0,0,0|1,0,1]=3 1400 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100020667443_100011660834 [0,1,0,0,0,0|1,0,1]=3 1401 B13R1.149 O=C([O-])CSCc1cccc(n1)Br 62a_100009889011_100020667443 [0,1,0,0,0,0|2,0,1]=4 1402 B13R1.149 O=C([O-])CSCc1cccc(n1)Br 62a_100020667443_100009889011 [0,1,0,0,0,0|2,0,1]=4 1403 B13R1.149 O=C([O-])CSCc1cccc(n1)Cl 62a_100000086093_100020667443 [0,1,0,0,0,0|2,0,1]=4 1404 B13R1.149 O=C([O-])CSCc1cccc(n1)Cl 62a_100020667443_100000086093 [0,1,0,0,0,0|2,0,1]=4 1405 B13R1.149 O=C([O-])CSCc1cccc(n1)F 62a_100009819644_100020667443 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.149 O=C([O-])CSCc1cccc(n1)F 62a_100020667443_100009819644 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.149 O=C([O-])CSCc1ccnc(c1)Br 62a_100010254460_100020667443 [0,1,0,0,0,0|2,0,1]=4 1408 B13R1.149 O=C([O-])CSCc1ccnc(c1)Br 62a_100020667443_100010243470 [0,1,0,0,0,0|2,0,1]=4 1409 B13R1.149 O=C([O-])CSCc1ccnc(c1)Cl 62a_100000764220_100020667443 [0,1,0,0,0,0|2,0,1]=4 1410 B13R1.149 O=C([O-])CSCc1ccnc(c1)Cl 62a_100020667443_100000764220 [0,1,0,0,0,0|2,0,1]=4 1411 B13R1.149 O=C([O-])CSCc1cncc(c1)Br 62a_100000738771_100020667443 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.149 O=C([O-])CSCc1cncc(c1)Br 62a_100020667443_100000738771 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.149 O=C([O-])CSCc1cncc(c1)Cl 62a_100016992070_100020667443 [0,1,0,0,0,0|2,0,1]=4 1414 B13R1.149 O=C([O-])CSCc1cncc(c1)Cl 62a_100020667443_100016992070 [0,1,0,0,0,0|2,0,1]=4 1415 B13R1.149 O=C([O-])CSCc1cncc(c1)F 62a_100000725299_100020667443 [0,1,0,0,0,0|2,0,1]=4 1416 B13R1.149 O=C([O-])CSCc1cncc(c1)F 62a_100020667443_100000725299 [0,1,0,0,0,0|2,0,1]=4 1417 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)Br 34a_100000174977_100000761209 [0,1,0,0,0,0|2,0,1]=4 1418 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)Cl 34a_100000174878_100000761209 [0,1,0,0,0,0|2,0,1]=4 1419 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)F 34a_100000174948_100000761209 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)I 34a_100000106179_100000761209 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)O 34a_100000743036_100000761209 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.149 O=[N+]([O-])COCc1cccc(c1)Br 34a_100000687537_100000761209 [0,1,0,0,0,0|2,0,1]=4 1423 B13R1.149 O=[N+]([O-])COCc1cccc(c1)Cl 34a_100000241301_100000761209 [0,1,0,0,0,0|2,0,1]=4 1424 B13R1.149 O=[N+]([O-])COCc1cccc(c1)F 34a_100000210976_100000761209 [0,1,0,0,0,0|2,0,1]=4 1425 B13R1.149 O=[N+]([O-])COCc1cccc(c1)I 34a_100011215336_100000761209 [0,1,0,0,0,0|2,0,1]=4 1426 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)Br 62a_100000211773_100000761209 [0,1,0,0,0,0|2,0,1]=4 1427 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)Cl 62a_100000187163_100000761209 [0,1,0,0,0,0|2,0,1]=4 1428 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)F 62a_100000230114_100000761209 [0,1,0,0,0,0|2,0,1]=4 1429 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)I 62a_100011218688_100000761209 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)O 62a_100011660834_100000761209 [0,1,0,0,0,0|2,0,1]=4 1431 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,1,0,0,0,0|1,0,0]=2 1432 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [0,1,0,0,0,0|2,0,0]=3 1433 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [0,1,0,0,0,0|2,0,0]=3 1434 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [0,1,0,0,0,0|2,0,0]=3 1435 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [0,1,0,0,0,0|2,0,0]=3 1436 B13R1.158 C=C(C)CCNc1ccccc1Br 34a_100000210017_100000730704 [0,1,0,0,0,0|3,0,0]=4 1437 B13R1.158 C=C(C)CCNc1ccccc1C 34a_100015192222_100000730704 [0,1,0,0,0,0|3,0,0]=4 1438 B13R1.158 C=C(C)CCNc1ccccc1Cl 34a_100000185783_100000730704 [0,1,0,0,0,0|3,0,0]=4 1439 B13R1.158 C=C(C)CCNc1ccccc1F 34a_100000210422_100000730704 [0,1,0,0,0,0|3,0,0]=4 1440 B13R1.158 C=C(C)CCNc1ccccc1I 34a_100000210053_100000730704 [0,1,0,0,0,0|3,0,0]=4 1441 B13R1.158 C=C(C)CCNc1ccccc1O 34a_100000185747_100000730704 [0,1,0,0,0,0|3,0,0]=4 1442 B13R1.158 C=C(C)CCOc1ccccc1Br 34a_100000181306_100000730704 [0,1,0,0,0,0|3,0,0]=4 1443 B13R1.158 C=C(C)CCOc1ccccc1Br 7a_100000181306_100000730704 [0,1,0,0,0,0|3,0,0]=4 1444 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [0,1,0,0,0,0|3,0,0]=4 1445 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [0,1,0,0,0,0|3,0,0]=4 1446 B13R1.158 C=C(C)CCOc1ccccc1Cl 34a_100000210172_100000730704 [0,1,0,0,0,0|3,0,0]=4 1447 B13R1.158 C=C(C)CCOc1ccccc1Cl 7a_100000210172_100000730704 [0,1,0,0,0,0|3,0,0]=4 1448 B13R1.158 C=C(C)CCOc1ccccc1F 34a_100000210171_100000730704 [0,1,0,0,0,0|3,0,0]=4 1449 B13R1.158 C=C(C)CCOc1ccccc1F 7a_100000210171_100000730704 [0,1,0,0,0,0|3,0,0]=4 1450 B13R1.158 C=C(C)CCOc1ccccc1I 34a_100000739446_100000730704 [0,1,0,0,0,0|3,0,0]=4 1451 B13R1.158 C=C(C)CCOc1ccccc1I 7a_100000739446_100000730704 [0,1,0,0,0,0|3,0,0]=4 1452 B13R1.158 C=C(C)CCOc1ccccc1N 34a_100000185747_100000730704 [0,1,0,0,0,0|3,0,0]=4 1453 B13R1.158 C=C(C)CCOc1ccccc1N 7a_100000185747_100000730704 [0,1,0,0,0,0|3,0,0]=4 1454 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000695589_100000730704 [0,1,0,0,0,0|3,0,0]=4 1455 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000730704_100000695589 [0,1,0,0,0,0|3,0,0]=4 1456 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000210755_100000730704 [0,1,0,0,0,0|3,0,0]=4 1457 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000730704_100000210755 [0,1,0,0,0,0|3,0,0]=4 1458 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000730704_100000764095 [0,1,0,0,0,0|3,0,0]=4 1459 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000764095_100000730704 [0,1,0,0,0,0|3,0,0]=4 1460 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100000730704_100011215700 [0,1,0,0,0,0|3,0,0]=4 1461 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100011215700_100000730704 [0,1,0,0,0,0|3,0,0]=4 1462 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000210017_100000730704 [0,1,0,0,0,0|3,0,0]=4 1463 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000730704_100000210017 [0,1,0,0,0,0|3,0,0]=4 1464 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000730704_100000739446 [0,1,0,0,0,0|3,0,0]=4 1465 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000739446_100000730704 [0,1,0,0,0,0|3,0,0]=4 1466 B13R1.158 C=C(C)CNCc1ccccc1Br 2230a_100000689332_100000748629 [0,1,0,0,0,0|3,0,0]=4 1467 B13R1.158 C=C(C)CNCc1ccccc1Br 34a_100000689332_100000748629 [0,1,0,0,0,0|3,0,0]=4 1468 B13R1.158 C=C(C)CNCc1ccccc1C 34a_100000174972_100000748629 [0,1,0,0,0,0|3,0,0]=4 1469 B13R1.158 C=C(C)CNCc1ccccc1Cl 2230a_100000174879_100000748629 [0,1,0,0,0,0|3,0,0]=4 1470 B13R1.158 C=C(C)CNCc1ccccc1Cl 34a_100000174879_100000748629 [0,1,0,0,0,0|3,0,0]=4 1471 B13R1.158 C=C(C)CNCc1ccccc1F 34a_100000174869_100000748629 [0,1,0,0,0,0|3,0,0]=4 1472 B13R1.158 C=C(C)CNCc1ccccc1O 34a_100000185550_100000748629 [0,1,0,0,0,0|3,0,0]=4 1473 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000210245_100000184730 [0,1,0,0,0,0|3,0,0]=4 1474 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000756307_100000748629 [0,1,0,0,0,0|3,0,0]=4 1475 B13R1.158 C=C(C)COCc1ccccc1Br 7a_100000756307_100000748629 [0,1,0,0,0,0|3,0,0]=4 1476 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [0,1,0,0,0,0|3,0,0]=4 1477 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [0,1,0,0,0,0|3,0,0]=4 1478 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [0,1,0,0,0,0|3,0,0]=4 1479 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210245_100000187162 [0,1,0,0,0,0|3,0,0]=4 1480 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210847_100000748629 [0,1,0,0,0,0|3,0,0]=4 1481 B13R1.158 C=C(C)COCc1ccccc1Cl 7a_100000210847_100000748629 [0,1,0,0,0,0|3,0,0]=4 1482 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000210245_100000211605 [0,1,0,0,0,0|3,0,0]=4 1483 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000211962_100000748629 [0,1,0,0,0,0|3,0,0]=4 1484 B13R1.158 C=C(C)COCc1ccccc1F 7a_100000211962_100000748629 [0,1,0,0,0,0|3,0,0]=4 1485 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000187465_100000748629 [0,1,0,0,0,0|3,0,0]=4 1486 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000210245_100011215278 [0,1,0,0,0,0|3,0,0]=4 1487 B13R1.158 C=C(C)COCc1ccccc1I 7a_100000187465_100000748629 [0,1,0,0,0,0|3,0,0]=4 1488 B13R1.158 C=C(C)COCc1ccccc1N 34a_100000212039_100000748629 [0,1,0,0,0,0|3,0,0]=4 1489 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000184730_100000211660 [0,1,0,0,0,0|3,0,0]=4 1490 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000748629_100000184730 [0,1,0,0,0,0|3,0,0]=4 1491 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000211839_100000211660 [0,1,0,0,0,0|3,0,0]=4 1492 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000748629_100000211839 [0,1,0,0,0,0|3,0,0]=4 1493 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000187162_100000211660 [0,1,0,0,0,0|3,0,0]=4 1494 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000748629_100000187162 [0,1,0,0,0,0|3,0,0]=4 1495 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000211605_100000211660 [0,1,0,0,0,0|3,0,0]=4 1496 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000748629_100000211605 [0,1,0,0,0,0|3,0,0]=4 1497 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100000748629_100011216222 [0,1,0,0,0,0|3,0,0]=4 1498 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100011216222_100000211660 [0,1,0,0,0,0|3,0,0]=4 1499 B13R1.158 C=C(F)CNCc1ccccc1Br 2230a_100000689332_100009893438 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.158 C=C(F)CNCc1ccccc1Br 34a_100000689332_100009893438 [0,1,0,0,0,0|3,0,0]=4 1501 B13R1.158 C=C(F)CNCc1ccccc1C 34a_100000174972_100009893438 [0,1,0,0,0,0|3,0,0]=4 1502 B13R1.158 C=C(F)CNCc1ccccc1Cl 2230a_100000174879_100009893438 [0,1,0,0,0,0|3,0,0]=4 1503 B13R1.158 C=C(F)CNCc1ccccc1Cl 34a_100000174879_100009893438 [0,1,0,0,0,0|3,0,0]=4 1504 B13R1.158 C=C(F)CNCc1ccccc1F 34a_100000174869_100009893438 [0,1,0,0,0,0|3,0,0]=4 1505 B13R1.158 C=C(F)CNCc1ccccc1O 34a_100000185550_100009893438 [0,1,0,0,0,0|3,0,0]=4 1506 B13R1.158 C=C(F)COCc1ccccc1Br 34a_100000756307_100009893438 [0,1,0,0,0,0|3,0,0]=4 1507 B13R1.158 C=C(F)COCc1ccccc1Br 34a_200010262243_100000184730 [0,1,0,0,0,0|3,0,0]=4 1508 B13R1.158 C=C(F)COCc1ccccc1Br 7a_100000756307_100000042424 [0,1,0,0,0,0|3,0,0]=4 1509 B13R1.158 C=C(F)COCc1ccccc1C 34a_100000698903_100009893438 [0,1,0,0,0,0|3,0,0]=4 1510 B13R1.158 C=C(F)COCc1ccccc1C 34a_200010262243_100000211839 [0,1,0,0,0,0|3,0,0]=4 1511 B13R1.158 C=C(F)COCc1ccccc1C 7a_100000698903_100000042424 [0,1,0,0,0,0|3,0,0]=4 1512 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_100000210847_100009893438 [0,1,0,0,0,0|3,0,0]=4 1513 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_200010262243_100000187162 [0,1,0,0,0,0|3,0,0]=4 1514 B13R1.158 C=C(F)COCc1ccccc1Cl 7a_100000210847_100000042424 [0,1,0,0,0,0|3,0,0]=4 1515 B13R1.158 C=C(F)COCc1ccccc1F 34a_100000211962_100009893438 [0,1,0,0,0,0|3,0,0]=4 1516 B13R1.158 C=C(F)COCc1ccccc1F 34a_200010262243_100000211605 [0,1,0,0,0,0|3,0,0]=4 1517 B13R1.158 C=C(F)COCc1ccccc1F 7a_100000211962_100000042424 [0,1,0,0,0,0|3,0,0]=4 1518 B13R1.158 C=C(F)COCc1ccccc1I 34a_100000187465_100009893438 [0,1,0,0,0,0|3,0,0]=4 1519 B13R1.158 C=C(F)COCc1ccccc1I 34a_200010262243_100011215278 [0,1,0,0,0,0|3,0,0]=4 1520 B13R1.158 C=C(F)COCc1ccccc1I 7a_100000187465_100000042424 [0,1,0,0,0,0|3,0,0]=4 1521 B13R1.158 C=C(F)COCc1ccccc1N 34a_100000212039_100009893438 [0,1,0,0,0,0|3,0,0]=4 1522 B13R1.158 C=C(F)CSCc1ccccc1Br 62a_100000042424_100000184730 [0,1,0,0,0,0|3,0,0]=4 1523 B13R1.158 C=C(F)CSCc1ccccc1Br 62a_100000184730_100000042424 [0,1,0,0,0,0|3,0,0]=4 1524 B13R1.158 C=C(F)CSCc1ccccc1C 62a_100000042424_100000211839 [0,1,0,0,0,0|3,0,0]=4 1525 B13R1.158 C=C(F)CSCc1ccccc1C 62a_100000211839_100000042424 [0,1,0,0,0,0|3,0,0]=4 1526 B13R1.158 C=C(F)CSCc1ccccc1Cl 62a_100000042424_100000187162 [0,1,0,0,0,0|3,0,0]=4 1527 B13R1.158 C=C(F)CSCc1ccccc1Cl 62a_100000187162_100000042424 [0,1,0,0,0,0|3,0,0]=4 1528 B13R1.158 C=C(F)CSCc1ccccc1F 62a_100000042424_100000211605 [0,1,0,0,0,0|3,0,0]=4 1529 B13R1.158 C=C(F)CSCc1ccccc1F 62a_100000211605_100000042424 [0,1,0,0,0,0|3,0,0]=4 1530 B13R1.158 C=C(F)CSCc1ccccc1I 62a_100000042424_100011216222 [0,1,0,0,0,0|3,0,0]=4 1531 B13R1.158 C=C(F)CSCc1ccccc1I 62a_100011216222_100000042424 [0,1,0,0,0,0|3,0,0]=4 1532 B13R1.158 CC(=O)CC#Cc1ccccc1Br 1458a_100000070787_100010706765 [0,1,0,0,0,0|1,0,2]=4 1533 B13R1.158 CC(=O)CC#Cc1ccccc1F 1458a_100000070787_100010404167 [0,1,0,0,0,0|1,0,2]=4 1534 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,0,0,0,0|1,0,0]=2 1535 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,0,0,0,0|1,0,0]=2 1536 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,0,0,0,0|1,0,0]=2 1537 B13R1.158 CC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000053229 [0,1,0,0,0,0|3,0,0]=4 1538 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,1,0,0,0,0|2,0,0]=3 1539 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,1,0,0,0,0|2,0,0]=3 1540 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,1,0,0,0,0|2,0,0]=3 1541 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,1,0,0,0,0|2,0,0]=3 1542 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,1,0,0,0,0|2,0,0]=3 1543 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,1,0,0,0,0|2,0,0]=3 1544 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,1,0,0,0,0|2,0,0]=3 1545 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,1,0,0,0,0|2,0,0]=3 1546 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,1,0,0,0,0|2,0,0]=3 1547 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,1,0,0,0,0|2,0,0]=3 1548 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,1,0,0,0,0|2,0,0]=3 1549 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,1,0,0,0,0|2,0,0]=3 1550 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,1,0,0,0,0|2,0,0]=3 1551 B13R1.158 CC(=O)CCOc1cccnc1Br 7a_100000744436_100000053229 [0,1,0,0,0,0|3,0,0]=4 1552 B13R1.158 CC(=O)CCOc1cccnc1C 7a_100000745507_100000053229 [0,1,0,0,0,0|3,0,0]=4 1553 B13R1.158 CC(=O)CCOc1cccnc1Cl 7a_100000757616_100000053229 [0,1,0,0,0,0|3,0,0]=4 1554 B13R1.158 CC(=O)CCOc1cccnc1F 7a_100000061740_100000053229 [0,1,0,0,0,0|3,0,0]=4 1555 B13R1.158 CC(=O)CCOc1cccnc1I 7a_100000034122_100000053229 [0,1,0,0,0,0|3,0,0]=4 1556 B13R1.158 CC(=O)CCOc1cccnc1N 7a_100000211975_100000053229 [0,1,0,0,0,0|3,0,0]=4 1557 B13R1.158 CC(=O)CCOc1cccoc1=O 7a_100000077404_100000053229 [0,1,0,0,0,0|3,0,0]=4 1558 B13R1.158 CC(=O)CCOc1cnccc1C 7a_100011997053_100000053229 [0,1,0,0,0,0|3,0,0]=4 1559 B13R1.158 CC(=O)CCSc1c[nH]ccc1=O 62a_100000053229_100009998708 [0,1,0,0,0,0|3,0,0]=4 1560 B13R1.158 CC(=O)CCSc1c[nH]ccc1=O 62a_100009998708_100000053229 [0,1,0,0,0,0|3,0,0]=4 1561 B13R1.158 CC(=O)CCSc1c[nH]ccc1=S 62a_100000053229_200012280681 [0,1,0,0,0,0|3,0,0]=4 1562 B13R1.158 CC(=O)CCSc1c[nH]ccc1=S 62a_200012280681_100000053229 [0,1,0,0,0,0|3,0,0]=4 1563 B13R1.158 CC(=O)CCSc1cccc[n+]1C 62a_100000053229_100000212160 [0,1,0,0,0,0|3,0,0]=4 1564 B13R1.158 CC(=O)CCSc1cccc[n+]1[O-] 62a_100000053229_200000042595 [0,1,0,0,0,0|3,0,0]=4 1565 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000053229_100000695589 [0,1,0,0,0,0|2,0,0]=3 1566 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000695589_100000053229 [0,1,0,0,0,0|2,0,0]=3 1567 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,1,0,0,0,0|2,0,0]=3 1568 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,1,0,0,0,0|2,0,0]=3 1569 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000053229_100000764095 [0,1,0,0,0,0|2,0,0]=3 1570 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000764095_100000053229 [0,1,0,0,0,0|2,0,0]=3 1571 B13R1.158 CC(=O)CCSc1ccccc1F 1458a_100000208832_200000210301 [0,1,0,0,0,0|2,0,0]=3 1572 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100000053229_100011215700 [0,1,0,0,0,0|2,0,0]=3 1573 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100011215700_100000053229 [0,1,0,0,0,0|2,0,0]=3 1574 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [0,1,0,0,0,0|2,0,0]=3 1575 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [0,1,0,0,0,0|2,0,0]=3 1576 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,1,0,0,0,0|2,0,0]=3 1577 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,1,0,0,0,0|2,0,0]=3 1578 B13R1.158 CC(=O)CCSc1cccnc1Br 62a_100000053229_100010202626 [0,1,0,0,0,0|3,0,0]=4 1579 B13R1.158 CC(=O)CCSc1cccnc1Br 62a_100010202626_100000053229 [0,1,0,0,0,0|3,0,0]=4 1580 B13R1.158 CC(=O)CCSc1cccnc1C 62a_100000053229_100000751574 [0,1,0,0,0,0|3,0,0]=4 1581 B13R1.158 CC(=O)CCSc1cccnc1C 62a_100000751574_100000053229 [0,1,0,0,0,0|3,0,0]=4 1582 B13R1.158 CC(=O)CCSc1cccnc1Cl 62a_100000036424_100000053229 [0,1,0,0,0,0|3,0,0]=4 1583 B13R1.158 CC(=O)CCSc1cccnc1Cl 62a_100000053229_100000036424 [0,1,0,0,0,0|3,0,0]=4 1584 B13R1.158 CC(=O)CCSc1cccnc1F 62a_100000053229_100009816115 [0,1,0,0,0,0|3,0,0]=4 1585 B13R1.158 CC(=O)CCSc1cccnc1F 62a_100009816115_100000053229 [0,1,0,0,0,0|3,0,0]=4 1586 B13R1.158 CC(=O)CCSc1cccnc1N 62a_100000045569_100000053229 [0,1,0,0,0,0|3,0,0]=4 1587 B13R1.158 CC(=O)CCSc1cccnc1N 62a_100000053229_100000045569 [0,1,0,0,0,0|3,0,0]=4 1588 B13R1.158 CC(=O)CCSc1cccnc1O 62a_100000053229_100000760158 [0,1,0,0,0,0|3,0,0]=4 1589 B13R1.158 CC(=O)CCSc1cccnc1O 62a_100000760158_100000053229 [0,1,0,0,0,0|3,0,0]=4 1590 B13R1.158 CC(=O)CCSc1ccncc1Br 62a_100000053229_100000726257 [0,1,0,0,0,0|3,0,0]=4 1591 B13R1.158 CC(=O)CCSc1ccncc1Br 62a_100000726257_100000053229 [0,1,0,0,0,0|3,0,0]=4 1592 B13R1.158 CC(=O)CCSc1ccncc1C 62a_100000053229_100000765111 [0,1,0,0,0,0|3,0,0]=4 1593 B13R1.158 CC(=O)CCSc1ccncc1C 62a_100000765111_100000053229 [0,1,0,0,0,0|3,0,0]=4 1594 B13R1.158 CC(=O)CCSc1ccncc1Cl 62a_100000053229_100000708259 [0,1,0,0,0,0|3,0,0]=4 1595 B13R1.158 CC(=O)CCSc1ccncc1Cl 62a_100000708259_100000053229 [0,1,0,0,0,0|3,0,0]=4 1596 B13R1.158 CC(=O)CCSc1ccncc1F 62a_100000047030_100000053229 [0,1,0,0,0,0|3,0,0]=4 1597 B13R1.158 CC(=O)CCSc1ccncc1F 62a_100000053229_100000047030 [0,1,0,0,0,0|3,0,0]=4 1598 B13R1.158 CC(=O)CCSc1ccncc1N 62a_100000053229_100000756074 [0,1,0,0,0,0|3,0,0]=4 1599 B13R1.158 CC(=O)CCSc1ccncc1N 62a_100000756074_100000053229 [0,1,0,0,0,0|3,0,0]=4 1600 B13R1.158 CC(=O)CCSc1ccncc1O 62a_100000053229_100009817591 [0,1,0,0,0,0|3,0,0]=4 1601 B13R1.158 CC(=O)CCSc1ccncc1O 62a_100009817591_100000053229 [0,1,0,0,0,0|3,0,0]=4 1602 B13R1.158 CC(=O)CCSc1cnccc1Br 62a_100000053229_100010138639 [0,1,0,0,0,0|3,0,0]=4 1603 B13R1.158 CC(=O)CCSc1cnccc1Br 62a_100010138639_100000053229 [0,1,0,0,0,0|3,0,0]=4 1604 B13R1.158 CC(=O)CCSc1cnccc1C 62a_100000053229_100000761580 [0,1,0,0,0,0|3,0,0]=4 1605 B13R1.158 CC(=O)CCSc1cnccc1C 62a_100000761580_100000053229 [0,1,0,0,0,0|3,0,0]=4 1606 B13R1.158 CC(=O)CCSc1cnccc1Cl 62a_100000053229_100009995489 [0,1,0,0,0,0|3,0,0]=4 1607 B13R1.158 CC(=O)CCSc1cnccc1Cl 62a_100009995489_100000053229 [0,1,0,0,0,0|3,0,0]=4 1608 B13R1.158 CC(=O)CCSc1cnccc1F 62a_100000053229_100009820683 [0,1,0,0,0,0|3,0,0]=4 1609 B13R1.158 CC(=O)CCSc1cnccc1F 62a_100009820683_100000053229 [0,1,0,0,0,0|3,0,0]=4 1610 B13R1.158 CC(=O)CCSc1cnccc1N 62a_100000047001_100000053229 [0,1,0,0,0,0|3,0,0]=4 1611 B13R1.158 CC(=O)CCSc1cnccc1N 62a_100000053229_100000047001 [0,1,0,0,0,0|3,0,0]=4 1612 B13R1.158 CC(=O)CCSc1ncccc1Br 62a_100000053229_100000696092 [0,1,0,0,0,0|3,0,0]=4 1613 B13R1.158 CC(=O)CCSc1ncccc1Br 62a_100000696092_100000053229 [0,1,0,0,0,0|3,0,0]=4 1614 B13R1.158 CC(=O)CCSc1ncccc1C 62a_100000053229_100000751373 [0,1,0,0,0,0|3,0,0]=4 1615 B13R1.158 CC(=O)CCSc1ncccc1C 62a_100000751373_100000053229 [0,1,0,0,0,0|3,0,0]=4 1616 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100000053229_100011356963 [0,1,0,0,0,0|3,0,0]=4 1617 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100011356963_100000053229 [0,1,0,0,0,0|3,0,0]=4 1618 B13R1.158 CC(=O)CCSc1ncccc1F 62a_100000053229_100000685392 [0,1,0,0,0,0|3,0,0]=4 1619 B13R1.158 CC(=O)CCSc1ncccc1F 62a_100000685392_100000053229 [0,1,0,0,0,0|3,0,0]=4 1620 B13R1.158 CC(=O)CCSc1ncccc1N 62a_100000053229_100000688686 [0,1,0,0,0,0|3,0,0]=4 1621 B13R1.158 CC(=O)CCSc1ncccc1N 62a_100000688686_100000053229 [0,1,0,0,0,0|3,0,0]=4 1622 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000034122_100000053229 [0,1,0,0,0,0|3,0,0]=4 1623 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000053229_100000034122 [0,1,0,0,0,0|3,0,0]=4 1624 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,1,0,0,0,0|2,0,0]=3 1625 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,0,0,0,0|2,0,0]=3 1626 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,1,0,0,0,0|2,0,0]=3 1627 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,1,0,0,0,0|2,0,0]=3 1628 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,1,0,0,0,0|2,0,0]=3 1629 B13R1.158 CC(=O)COCc1cccnc1Br 34a_100000211253_100010140945 [0,1,0,0,0,0|3,0,0]=4 1630 B13R1.158 CC(=O)COCc1cccnc1C 34a_100000211253_100000732876 [0,1,0,0,0,0|3,0,0]=4 1631 B13R1.158 CC(=O)COCc1cccnc1Cl 34a_100000211253_100000045678 [0,1,0,0,0,0|3,0,0]=4 1632 B13R1.158 CC(=O)COCc1cccnc1F 34a_100000211253_100000099810 [0,1,0,0,0,0|3,0,0]=4 1633 B13R1.158 CC(=O)COCc1ccncc1C 34a_100000211253_100020672809 [0,1,0,0,0,0|3,0,0]=4 1634 B13R1.158 CC(=O)COCc1cnccc1C 34a_100000211253_100000690890 [0,1,0,0,0,0|3,0,0]=4 1635 B13R1.158 CC(=O)COCc1ncccc1Br 34a_100000211253_100025702911 [0,1,0,0,0,0|3,0,0]=4 1636 B13R1.158 CC(=O)COCc1ncccc1C 34a_100000211253_100000696600 [0,1,0,0,0,0|3,0,0]=4 1637 B13R1.158 CC(=O)COCc1ncccc1F 34a_100000211253_100000104219 [0,1,0,0,0,0|3,0,0]=4 1638 B13R1.158 CC(=O)COCc1ncccc1O 34a_100000211253_200020655725 [0,1,0,0,0,0|3,0,0]=4 1639 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,1,0,0,0,0|2,0,0]=3 1640 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,1,0,0,0,0|2,0,0]=3 1641 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,1,0,0,0,0|2,0,0]=3 1642 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,1,0,0,0,0|2,0,0]=3 1643 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,1,0,0,0,0|2,0,0]=3 1644 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,1,0,0,0,0|2,0,0]=3 1645 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,1,0,0,0,0|2,0,0]=3 1646 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,1,0,0,0,0|2,0,0]=3 1647 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,1,0,0,0,0|2,0,0]=3 1648 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,1,0,0,0,0|2,0,0]=3 1649 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,1,0,0,0,0|2,0,0]=3 1650 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,1,0,0,0,0|2,0,0]=3 1651 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,1,0,0,0,0|2,0,0]=3 1652 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,1,0,0,0,0|2,0,0]=3 1653 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,1,0,0,0,0|2,0,0]=3 1654 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,1,0,0,0,0|2,0,0]=3 1655 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,1,0,0,0,0|2,0,0]=3 1656 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,1,0,0,0,0|2,0,0]=3 1657 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,1,0,0,0,0|2,0,0]=3 1658 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,1,0,0,0,0|2,0,0]=3 1659 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,1,0,0,0,0|2,0,0]=3 1660 B13R1.158 CC(=O)NCCn1ccccc1=O 1626a_100000687133_100015343762 [0,1,0,0,0,0|3,0,0]=4 1661 B13R1.158 CC(=O)NCCn1ccccc1=O 240690a_100000687133_100015343762 [0,1,0,0,0,0|3,0,0]=4 1662 B13R1.158 CC(=O)NCCn1ccccc1=O 527a_100000687133_100103153847 [0,1,0,0,0,0|3,0,0]=4 1663 B13R1.158 CC(=O)NNCc1ccccc1Br 22a_200016993956_100000070787 [0,1,0,0,0,0|3,0,0]=4 1664 B13R1.158 CC(=O)NNCc1ccccc1C 22a_100000737298_100000070787 [0,1,0,0,0,0|3,0,0]=4 1665 B13R1.158 CC(=O)NNCc1ccccc1Cl 22a_100015187261_100000070787 [0,1,0,0,0,0|3,0,0]=4 1666 B13R1.158 CC(=O)NNCc1ccccc1F 22a_100015200773_100000070787 [0,1,0,0,0,0|3,0,0]=4 1667 B13R1.158 CC(=O)OCNc1ccccc1Br 34a_100000210017_100009813279 [0,1,0,0,0,0|3,0,0]=4 1668 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [0,1,0,0,0,0|3,0,0]=4 1669 B13R1.158 CC(=O)OCNc1ccccc1Cl 34a_100000185783_100009813279 [0,1,0,0,0,0|3,0,0]=4 1670 B13R1.158 CC(=O)OCNc1ccccc1F 34a_100000210422_100009813279 [0,1,0,0,0,0|3,0,0]=4 1671 B13R1.158 CC(=O)OCNc1ccccc1I 34a_100000210053_100009813279 [0,1,0,0,0,0|3,0,0]=4 1672 B13R1.158 CC(=O)OCNc1ccccc1O 34a_100000185747_100009813279 [0,1,0,0,0,0|3,0,0]=4 1673 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [0,1,0,0,0,0|3,0,0]=4 1674 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,1,0,0,0,0|3,0,0]=4 1675 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [0,1,0,0,0,0|3,0,0]=4 1676 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [0,1,0,0,0,0|3,0,0]=4 1677 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [0,1,0,0,0,0|3,0,0]=4 1678 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [0,1,0,0,0,0|3,0,0]=4 1679 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000076356_100000695589 [0,1,0,0,0,0|3,0,0]=4 1680 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000695589_100000076356 [0,1,0,0,0,0|3,0,0]=4 1681 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [0,1,0,0,0,0|3,0,0]=4 1682 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [0,1,0,0,0,0|3,0,0]=4 1683 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000076356_100000764095 [0,1,0,0,0,0|3,0,0]=4 1684 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000764095_100000076356 [0,1,0,0,0,0|3,0,0]=4 1685 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100000076356_100011215700 [0,1,0,0,0,0|3,0,0]=4 1686 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100011215700_100000076356 [0,1,0,0,0,0|3,0,0]=4 1687 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000076356_100000210017 [0,1,0,0,0,0|3,0,0]=4 1688 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000210017_100000076356 [0,1,0,0,0,0|3,0,0]=4 1689 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000076356_100000739446 [0,1,0,0,0,0|3,0,0]=4 1690 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000739446_100000076356 [0,1,0,0,0,0|3,0,0]=4 1691 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,1,0,0,0,0|2,0,1]=4 1692 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,1,0,0,0,0|2,0,1]=4 1693 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,1,0,0,0,0|2,0,1]=4 1694 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,1,0,0,0,0|2,0,1]=4 1695 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,1,0,0,0,0|2,0,1]=4 1696 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,1,0,0,0,0|2,0,1]=4 1697 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,1,0,0,0,0|2,0,1]=4 1698 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,1,0,0,0,0|2,0,1]=4 1699 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,1,0,0,0,0|2,0,1]=4 1700 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,1,0,0,0,0|2,0,1]=4 1701 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,1,0,0,0,0|2,0,1]=4 1702 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,1,0,0,0,0|2,0,1]=4 1703 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,1,0,0,0,0|2,0,1]=4 1704 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,1,0,0,0,0|2,0,1]=4 1705 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,1,0,0,0,0|2,0,1]=4 1706 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,1,0,0,0,0|2,0,1]=4 1707 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,1,0,0,0,0|2,0,1]=4 1708 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,1,0,0,0,0|2,0,1]=4 1709 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,1,0,0,0,0|2,0,1]=4 1710 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,1,0,0,0,0|2,0,1]=4 1711 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,1,0,0,0,0|2,0,1]=4 1712 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,1,0,0,0,0|2,0,1]=4 1713 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,1,0,0,0,0|2,0,1]=4 1714 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,1,0,0,0,0|2,0,1]=4 1715 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,1,0,0,0,0|2,0,1]=4 1716 B13R1.158 CC(O)CNCc1ccccc1Br 207a_100000210904_100000211189 [0,1,0,0,0,0|2,0,1]=4 1717 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000210904_100000184730 [0,1,0,0,0,0|2,0,1]=4 1718 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000689332_100011218427 [0,1,0,0,0,0|2,0,1]=4 1719 B13R1.158 CC(O)CNCc1ccccc1Br 270004a_100000210904_100000211189 [0,1,0,0,0,0|2,0,1]=4 1720 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000210904_100000184730 [0,1,0,0,0,0|2,0,1]=4 1721 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000689332_100011218427 [0,1,0,0,0,0|2,0,1]=4 1722 B13R1.158 CC(O)CNCc1ccccc1Cl 207a_100000210904_100000210073 [0,1,0,0,0,0|2,0,1]=4 1723 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218427 [0,1,0,0,0,0|2,0,1]=4 1724 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000210904_100000187162 [0,1,0,0,0,0|2,0,1]=4 1725 B13R1.158 CC(O)CNCc1ccccc1Cl 270004a_100000210904_100000210073 [0,1,0,0,0,0|2,0,1]=4 1726 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000174879_100011218427 [0,1,0,0,0,0|2,0,1]=4 1727 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,0,0,0,0|2,0,1]=4 1728 B13R1.158 CC(O)CNCc1ccccc1F 207a_100000210904_100000210811 [0,1,0,0,0,0|2,0,1]=4 1729 B13R1.158 CC(O)CNCc1ccccc1F 2230a_100000210904_100000211605 [0,1,0,0,0,0|2,0,1]=4 1730 B13R1.158 CC(O)CNCc1ccccc1F 270004a_100000210904_100000210811 [0,1,0,0,0,0|2,0,1]=4 1731 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000174869_100011218427 [0,1,0,0,0,0|2,0,1]=4 1732 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000210904_100000211605 [0,1,0,0,0,0|2,0,1]=4 1733 B13R1.158 CC(O)CNCc1ccccc1I 207a_100000210904_100000010305 [0,1,0,0,0,0|2,0,1]=4 1734 B13R1.158 CC(O)CNCc1ccccc1I 2230a_100000210904_100011215278 [0,1,0,0,0,0|2,0,1]=4 1735 B13R1.158 CC(O)CNCc1ccccc1I 270004a_100000210904_100000010305 [0,1,0,0,0,0|2,0,1]=4 1736 B13R1.158 CC(O)CNCc1ccccc1I 34a_100000210904_100011215278 [0,1,0,0,0,0|2,0,1]=4 1737 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,1,0,0,0,0|2,0,1]=4 1738 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,1,0,0,0,0|2,0,1]=4 1739 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,1,0,0,0,0|2,0,1]=4 1740 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,1,0,0,0,0|2,0,1]=4 1741 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,1,0,0,0,0|2,0,1]=4 1742 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,1,0,0,0,0|2,0,1]=4 1743 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,1,0,0,0,0|2,0,1]=4 1744 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,1,0,0,0,0|2,0,1]=4 1745 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,1,0,0,0,0|2,0,1]=4 1746 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,1,0,0,0,0|2,0,1]=4 1747 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100000184730_100011218427 [0,1,0,0,0,0|2,0,1]=4 1748 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100011218427_100000184730 [0,1,0,0,0,0|2,0,1]=4 1749 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100000187162_100011218427 [0,1,0,0,0,0|2,0,1]=4 1750 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100011218427_100000187162 [0,1,0,0,0,0|2,0,1]=4 1751 B13R1.158 CC(O)CSCc1ccccc1F 62a_100000211605_100011218427 [0,1,0,0,0,0|2,0,1]=4 1752 B13R1.158 CC(O)CSCc1ccccc1F 62a_100011218427_100000211605 [0,1,0,0,0,0|2,0,1]=4 1753 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011216222_100011218427 [0,1,0,0,0,0|2,0,1]=4 1754 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011218427_100011216222 [0,1,0,0,0,0|2,0,1]=4 1755 B13R1.158 CN(C)CCCc1ccccc1Br 2230a_100102631434_200011713681 [0,1,0,0,0,0|3,0,0]=4 1756 B13R1.158 CN(C)CCCc1ccccc1Br 269982a_100102631434_200011713681 [0,1,0,0,0,0|3,0,0]=4 1757 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 2230a_100000689332_100009817552 [0,1,0,0,0,0|2,0,1]=4 1758 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 34a_100000689332_100009817552 [0,1,0,0,0,0|2,0,1]=4 1759 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009817552 [0,1,0,0,0,0|2,0,1]=4 1760 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 34a_100000174879_100009817552 [0,1,0,0,0,0|2,0,1]=4 1761 B13R1.158 C[C@@H](O)CNCc1ccccc1F 34a_100000174869_100009817552 [0,1,0,0,0,0|2,0,1]=4 1762 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,1,0,0,0,0|2,0,1]=4 1763 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,1,0,0,0,0|2,0,1]=4 1764 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,1,0,0,0,0|2,0,1]=4 1765 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,1,0,0,0,0|2,0,1]=4 1766 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,1,0,0,0,0|2,0,1]=4 1767 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,1,0,0,0,0|2,0,1]=4 1768 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,1,0,0,0,0|2,0,1]=4 1769 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,1,0,0,0,0|2,0,1]=4 1770 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,1,0,0,0,0|2,0,1]=4 1771 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,1,0,0,0,0|2,0,1]=4 1772 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100000184730_100009817552 [0,1,0,0,0,0|2,0,1]=4 1773 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100009817552_100000184730 [0,1,0,0,0,0|2,0,1]=4 1774 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100000187162_100009817552 [0,1,0,0,0,0|2,0,1]=4 1775 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100009817552_100000187162 [0,1,0,0,0,0|2,0,1]=4 1776 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100000211605_100009817552 [0,1,0,0,0,0|2,0,1]=4 1777 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100009817552_100000211605 [0,1,0,0,0,0|2,0,1]=4 1778 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100009817552_100011216222 [0,1,0,0,0,0|2,0,1]=4 1779 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100011216222_100009817552 [0,1,0,0,0,0|2,0,1]=4 1780 B13R1.158 C[n+]1ccccc1SCCC(=O)N 62a_100000744528_100000212160 [0,1,0,0,0,0|3,0,0]=4 1781 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [0,1,0,0,0,0|2,0,0]=3 1782 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [0,1,0,0,0,0|2,0,0]=3 1783 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,0|1,0,0]=2 1784 B13R1.158 Cc1ccccc1CNCC(=O)[O-] 34a_100000174972_100020667443 [0,1,0,0,0,0|1,0,1]=3 1785 B13R1.158 Cc1ccccc1CNCC(C)O 207a_100000210904_100000211143 [0,1,0,0,0,0|2,0,1]=4 1786 B13R1.158 Cc1ccccc1CNCC(C)O 2230a_100000210904_100000211839 [0,1,0,0,0,0|2,0,1]=4 1787 B13R1.158 Cc1ccccc1CNCC(C)O 270004a_100000210904_100000211143 [0,1,0,0,0,0|2,0,1]=4 1788 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000174972_100011218427 [0,1,0,0,0,0|2,0,1]=4 1789 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000210904_100000211839 [0,1,0,0,0,0|2,0,1]=4 1790 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 34a_100000174972_100009817552 [0,1,0,0,0,0|2,0,1]=4 1791 B13R1.158 Cc1ccccc1CNC[N+](=O)[O-] 34a_100000174972_100000761209 [0,1,0,0,0,0|2,0,1]=4 1792 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [0,1,0,0,0,0|2,0,0]=3 1793 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [0,1,0,0,0,0|2,0,0]=3 1794 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [0,1,0,0,0,0|1,0,1]=3 1795 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,1,0,0,0,0|2,0,1]=4 1796 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,1,0,0,0,0|2,0,1]=4 1797 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,1,0,0,0,0|2,0,1]=4 1798 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,1,0,0,0,0|2,0,1]=4 1799 B13R1.158 Cc1ccccc1COC[N+](=O)[O-] 34a_100000698903_100000761209 [0,1,0,0,0,0|2,0,1]=4 1800 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [0,1,0,0,0,0|2,0,0]=3 1801 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [0,1,0,0,0,0|2,0,0]=3 1802 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,1,0,0,0,0|2,0,0]=3 1803 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100000211839_100020667443 [0,1,0,0,0,0|1,0,1]=3 1804 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000211839 [0,1,0,0,0,0|1,0,1]=3 1805 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100000211839_100011218427 [0,1,0,0,0,0|2,0,1]=4 1806 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100011218427_100000211839 [0,1,0,0,0,0|2,0,1]=4 1807 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100000211839_100009817552 [0,1,0,0,0,0|2,0,1]=4 1808 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000211839 [0,1,0,0,0,0|2,0,1]=4 1809 B13R1.158 Cc1ccccc1CSC[N+](=O)[O-] 62a_100000211839_100000761209 [0,1,0,0,0,0|2,0,1]=4 1810 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [0,1,0,0,0,0|2,0,0]=3 1811 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,1,0,0,0,0|2,0,1]=4 1812 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [0,1,0,0,0,0|2,0,0]=3 1813 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [0,1,0,0,0,0|2,0,0]=3 1814 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,1,0,0,0,0|2,0,0]=3 1815 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,1,0,0,0,0|2,0,1]=4 1816 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,1,0,0,0,0|2,0,1]=4 1817 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [0,1,0,0,0,0|2,0,0]=3 1818 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [0,1,0,0,0,0|2,0,0]=3 1819 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,1,0,0,0,0|2,0,1]=4 1820 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,1,0,0,0,0|2,0,1]=4 1821 B13R1.158 Cc1cccnc1CNCC(=O)N 2230a_100000711301_100000696600 [0,1,0,0,0,0|3,0,0]=4 1822 B13R1.158 Cc1cccnc1CNCC(=O)N 34a_100011223789_100000187820 [0,1,0,0,0,0|3,0,0]=4 1823 B13R1.158 Cc1cccnc1CNCC(=O)O 269956a_100016091260_100000696600 [0,1,0,0,0,0|2,0,0]=3 1824 B13R1.158 Cc1cccnc1CNCC(=O)[O-] 34a_100011223789_100020667443 [0,1,0,0,0,0|2,0,1]=4 1825 B13R1.158 Cc1cccnc1COCC(=O)N 34a_100000698912_100000187820 [0,1,0,0,0,0|3,0,0]=4 1826 B13R1.158 Cc1cccnc1COCC(=O)[O-] 34a_100000698912_100020667443 [0,1,0,0,0,0|2,0,1]=4 1827 B13R1.158 Cc1cccnc1CSCC(=O)N 62a_100000696600_100000747473 [0,1,0,0,0,0|3,0,0]=4 1828 B13R1.158 Cc1cccnc1CSCC(=O)N 62a_100000747473_100000696600 [0,1,0,0,0,0|3,0,0]=4 1829 B13R1.158 Cc1cccnc1CSCC(=O)[O-] 62a_100000696600_100020667443 [0,1,0,0,0,0|2,0,1]=4 1830 B13R1.158 Cc1cccnc1CSCC(=O)[O-] 62a_100020667443_100000696600 [0,1,0,0,0,0|2,0,1]=4 1831 B13R1.158 Cc1cccnc1SCCC(=O)N 62a_100000744528_100000751373 [0,1,0,0,0,0|3,0,0]=4 1832 B13R1.158 Cc1cccnc1SCCC(=O)N 62a_100000751373_100000744528 [0,1,0,0,0,0|3,0,0]=4 1833 B13R1.158 Cc1ccncc1CNCC(=O)N 2230a_100000711301_100000690890 [0,1,0,0,0,0|3,0,0]=4 1834 B13R1.158 Cc1ccncc1CNCC(=O)O 269956a_100016091260_100000690890 [0,1,0,0,0,0|2,0,0]=3 1835 B13R1.158 Cc1ccncc1COCC(=O)N 34a_100011996381_100000187820 [0,1,0,0,0,0|3,0,0]=4 1836 B13R1.158 Cc1ccncc1COCC(=O)[O-] 34a_100011996381_100020667443 [0,1,0,0,0,0|2,0,1]=4 1837 B13R1.158 Cc1ccncc1CSCC(=O)N 62a_100000690890_100000747473 [0,1,0,0,0,0|3,0,0]=4 1838 B13R1.158 Cc1ccncc1CSCC(=O)N 62a_100000747473_100000690890 [0,1,0,0,0,0|3,0,0]=4 1839 B13R1.158 Cc1ccncc1CSCC(=O)[O-] 62a_100000690890_100020667443 [0,1,0,0,0,0|2,0,1]=4 1840 B13R1.158 Cc1ccncc1CSCC(=O)[O-] 62a_100020667443_100000690890 [0,1,0,0,0,0|2,0,1]=4 1841 B13R1.158 Cc1ccncc1OCCC(=O)N 34a_100011997053_100000731001 [0,1,0,0,0,0|3,0,0]=4 1842 B13R1.158 Cc1ccncc1OCCC(=O)N 7a_100011997053_100000744528 [0,1,0,0,0,0|3,0,0]=4 1843 B13R1.158 Cc1ccncc1SCCC(=O)N 62a_100000744528_100000761580 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.158 Cc1ccncc1SCCC(=O)N 62a_100000761580_100000744528 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.158 Cc1cnccc1CNCC(=O)N 2230a_100000711301_100020672808 [0,1,0,0,0,0|3,0,0]=4 1846 B13R1.158 Cc1cnccc1CNCC(=O)O 269956a_100016091260_100020672808 [0,1,0,0,0,0|2,0,0]=3 1847 B13R1.158 Cc1cnccc1COCC(=O)N 34a_100011997032_100000187820 [0,1,0,0,0,0|3,0,0]=4 1848 B13R1.158 Cc1cnccc1COCC(=O)[O-] 34a_100011997032_100020667443 [0,1,0,0,0,0|2,0,1]=4 1849 B13R1.158 Cc1cnccc1CSCC(=O)N 62a_100000747473_100020672808 [0,1,0,0,0,0|3,0,0]=4 1850 B13R1.158 Cc1cnccc1CSCC(=O)N 62a_100020672808_100000747473 [0,1,0,0,0,0|3,0,0]=4 1851 B13R1.158 Cc1cnccc1CSCC(=O)[O-] 62a_100020667443_100020672808 [0,1,0,0,0,0|2,0,1]=4 1852 B13R1.158 Cc1cnccc1CSCC(=O)[O-] 62a_100020672808_100020667443 [0,1,0,0,0,0|2,0,1]=4 1853 B13R1.158 Cc1cnccc1NCCC(=O)N 27a_100000740010_100000765111 [0,1,0,0,0,0|3,0,0]=4 1854 B13R1.158 Cc1cnccc1OCCC(=O)N 34a_100000694293_100000731001 [0,1,0,0,0,0|3,0,0]=4 1855 B13R1.158 Cc1cnccc1SCCC(=O)N 62a_100000744528_100000765111 [0,1,0,0,0,0|3,0,0]=4 1856 B13R1.158 Cc1cnccc1SCCC(=O)N 62a_100000765111_100000744528 [0,1,0,0,0,0|3,0,0]=4 1857 B13R1.158 Cc1ncccc1CNCC(=O)N 2230a_100000711301_100000732876 [0,1,0,0,0,0|3,0,0]=4 1858 B13R1.158 Cc1ncccc1CNCC(=O)O 269956a_100016091260_100000732876 [0,1,0,0,0,0|2,0,0]=3 1859 B13R1.158 Cc1ncccc1COCC(=O)N 34a_100000729262_100000187820 [0,1,0,0,0,0|3,0,0]=4 1860 B13R1.158 Cc1ncccc1COCC(=O)N 7a_100000729262_100000187820 [0,1,0,0,0,0|3,0,0]=4 1861 B13R1.158 Cc1ncccc1COCC(=O)[O-] 34a_100000729262_100020667443 [0,1,0,0,0,0|2,0,1]=4 1862 B13R1.158 Cc1ncccc1CSCC(=O)N 62a_100000732876_100000747473 [0,1,0,0,0,0|3,0,0]=4 1863 B13R1.158 Cc1ncccc1CSCC(=O)N 62a_100000747473_100000732876 [0,1,0,0,0,0|3,0,0]=4 1864 B13R1.158 Cc1ncccc1CSCC(=O)[O-] 62a_100000732876_100020667443 [0,1,0,0,0,0|2,0,1]=4 1865 B13R1.158 Cc1ncccc1CSCC(=O)[O-] 62a_100020667443_100000732876 [0,1,0,0,0,0|2,0,1]=4 1866 B13R1.158 Cc1ncccc1OCCC(=O)N 34a_100000745507_100000731001 [0,1,0,0,0,0|3,0,0]=4 1867 B13R1.158 Cc1ncccc1OCCC(=O)N 7a_100000745507_100000744528 [0,1,0,0,0,0|3,0,0]=4 1868 B13R1.158 Cc1ncccc1SCCC(=O)N 62a_100000744528_100000751574 [0,1,0,0,0,0|3,0,0]=4 1869 B13R1.158 Cc1ncccc1SCCC(=O)N 62a_100000751574_100000744528 [0,1,0,0,0,0|3,0,0]=4 1870 B13R1.158 NC(=O)CCNc1ccccc1Br 34a_100000210017_100000731001 [0,1,0,0,0,0|2,0,0]=3 1871 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [0,1,0,0,0,0|2,0,0]=3 1872 B13R1.158 NC(=O)CCNc1ccccc1F 34a_100000210422_100000731001 [0,1,0,0,0,0|2,0,0]=3 1873 B13R1.158 NC(=O)CCNc1ccccc1I 34a_100000210053_100000731001 [0,1,0,0,0,0|2,0,0]=3 1874 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [0,1,0,0,0,0|2,0,0]=3 1875 B13R1.158 NC(=O)CCNc1ccncc1Br 27a_100000740010_100000726257 [0,1,0,0,0,0|3,0,0]=4 1876 B13R1.158 NC(=O)CCNc1ccncc1F 27a_100000740010_100000035921 [0,1,0,0,0,0|3,0,0]=4 1877 B13R1.158 NC(=O)CCNc1ncccc1Br 27a_100000740010_100000696092 [0,1,0,0,0,0|3,0,0]=4 1878 B13R1.158 NC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000744528 [0,1,0,0,0,0|3,0,0]=4 1879 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [0,1,0,0,0,0|2,0,0]=3 1880 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [0,1,0,0,0,0|2,0,0]=3 1881 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [0,1,0,0,0,0|2,0,0]=3 1882 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [0,1,0,0,0,0|2,0,0]=3 1883 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [0,1,0,0,0,0|2,0,0]=3 1884 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [0,1,0,0,0,0|2,0,0]=3 1885 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [0,1,0,0,0,0|2,0,0]=3 1886 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [0,1,0,0,0,0|2,0,0]=3 1887 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [0,1,0,0,0,0|2,0,0]=3 1888 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [0,1,0,0,0,0|2,0,0]=3 1889 B13R1.158 NC(=O)CCOc1cccnc1Br 34a_100000744436_100000731001 [0,1,0,0,0,0|3,0,0]=4 1890 B13R1.158 NC(=O)CCOc1cccnc1Br 7a_100000744436_100000744528 [0,1,0,0,0,0|3,0,0]=4 1891 B13R1.158 NC(=O)CCOc1cccnc1Cl 34a_100000757616_100000731001 [0,1,0,0,0,0|3,0,0]=4 1892 B13R1.158 NC(=O)CCOc1cccnc1Cl 7a_100000757616_100000744528 [0,1,0,0,0,0|3,0,0]=4 1893 B13R1.158 NC(=O)CCOc1cccnc1F 34a_100000061740_100000731001 [0,1,0,0,0,0|3,0,0]=4 1894 B13R1.158 NC(=O)CCOc1cccnc1F 7a_100000061740_100000744528 [0,1,0,0,0,0|3,0,0]=4 1895 B13R1.158 NC(=O)CCOc1cccnc1I 34a_100000034122_100000731001 [0,1,0,0,0,0|3,0,0]=4 1896 B13R1.158 NC(=O)CCOc1cccnc1I 7a_100000034122_100000744528 [0,1,0,0,0,0|3,0,0]=4 1897 B13R1.158 NC(=O)CCOc1cccnc1N 34a_100000211975_100000731001 [0,1,0,0,0,0|3,0,0]=4 1898 B13R1.158 NC(=O)CCOc1cccnc1N 7a_100000211975_100000744528 [0,1,0,0,0,0|3,0,0]=4 1899 B13R1.158 NC(=O)CCOc1cccoc1=O 34a_100000077404_100000731001 [0,1,0,0,0,0|3,0,0]=4 1900 B13R1.158 NC(=O)CCOc1cccoc1=O 7a_100000077404_100000744528 [0,1,0,0,0,0|3,0,0]=4 1901 B13R1.158 NC(=O)CCOc1ccncc1Br 34a_100011996408_100000731001 [0,1,0,0,0,0|3,0,0]=4 1902 B13R1.158 NC(=O)CCOc1ccncc1Cl 34a_100011997054_100000731001 [0,1,0,0,0,0|3,0,0]=4 1903 B13R1.158 NC(=O)CCOc1ccncc1F 34a_200000081243_100000731001 [0,1,0,0,0,0|3,0,0]=4 1904 B13R1.158 NC(=O)CCOc1cnccc1Cl 34a_100011996695_100000731001 [0,1,0,0,0,0|3,0,0]=4 1905 B13R1.158 NC(=O)CCOc1cnccc1I 34a_100000050107_100000731001 [0,1,0,0,0,0|3,0,0]=4 1906 B13R1.158 NC(=O)CCOc1cnccc1N 34a_100000753702_100000731001 [0,1,0,0,0,0|3,0,0]=4 1907 B13R1.158 NC(=O)CCOc1coccc1=O 34a_100000060831_100000731001 [0,1,0,0,0,0|3,0,0]=4 1908 B13R1.158 NC(=O)CCOc1ncccc1Cl 34a_100011290957_100000731001 [0,1,0,0,0,0|3,0,0]=4 1909 B13R1.158 NC(=O)CCOc1ncccc1F 34a_100011219419_100000731001 [0,1,0,0,0,0|3,0,0]=4 1910 B13R1.158 NC(=O)CCOc1ncccc1N 34a_100000746358_100000731001 [0,1,0,0,0,0|3,0,0]=4 1911 B13R1.158 NC(=O)CCSc1c[nH]ccc1=O 62a_100000744528_100009998708 [0,1,0,0,0,0|3,0,0]=4 1912 B13R1.158 NC(=O)CCSc1c[nH]ccc1=O 62a_100009998708_100000744528 [0,1,0,0,0,0|3,0,0]=4 1913 B13R1.158 NC(=O)CCSc1c[nH]ccc1=S 62a_100000744528_200012280681 [0,1,0,0,0,0|3,0,0]=4 1914 B13R1.158 NC(=O)CCSc1c[nH]ccc1=S 62a_200012280681_100000744528 [0,1,0,0,0,0|3,0,0]=4 1915 B13R1.158 NC(=O)CCSc1cccc[n+]1[O-] 62a_100000744528_200000042595 [0,1,0,0,0,0|3,0,0]=4 1916 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000695589_100000744528 [0,1,0,0,0,0|2,0,0]=3 1917 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000744528_100000695589 [0,1,0,0,0,0|2,0,0]=3 1918 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000744528_100000764095 [0,1,0,0,0,0|2,0,0]=3 1919 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000764095_100000744528 [0,1,0,0,0,0|2,0,0]=3 1920 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100000744528_100011215700 [0,1,0,0,0,0|2,0,0]=3 1921 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100011215700_100000744528 [0,1,0,0,0,0|2,0,0]=3 1922 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [0,1,0,0,0,0|2,0,0]=3 1923 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [0,1,0,0,0,0|2,0,0]=3 1924 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [0,1,0,0,0,0|2,0,0]=3 1925 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [0,1,0,0,0,0|2,0,0]=3 1926 B13R1.158 NC(=O)CCSc1cccnc1Br 62a_100000744528_100010202626 [0,1,0,0,0,0|3,0,0]=4 1927 B13R1.158 NC(=O)CCSc1cccnc1Br 62a_100010202626_100000744528 [0,1,0,0,0,0|3,0,0]=4 1928 B13R1.158 NC(=O)CCSc1cccnc1Cl 62a_100000036424_100000744528 [0,1,0,0,0,0|3,0,0]=4 1929 B13R1.158 NC(=O)CCSc1cccnc1Cl 62a_100000744528_100000036424 [0,1,0,0,0,0|3,0,0]=4 1930 B13R1.158 NC(=O)CCSc1cccnc1F 62a_100000744528_100009816115 [0,1,0,0,0,0|3,0,0]=4 1931 B13R1.158 NC(=O)CCSc1cccnc1F 62a_100009816115_100000744528 [0,1,0,0,0,0|3,0,0]=4 1932 B13R1.158 NC(=O)CCSc1cccnc1N 62a_100000045569_100000744528 [0,1,0,0,0,0|3,0,0]=4 1933 B13R1.158 NC(=O)CCSc1cccnc1N 62a_100000744528_100000045569 [0,1,0,0,0,0|3,0,0]=4 1934 B13R1.158 NC(=O)CCSc1cccnc1O 62a_100000744528_100000760158 [0,1,0,0,0,0|3,0,0]=4 1935 B13R1.158 NC(=O)CCSc1cccnc1O 62a_100000760158_100000744528 [0,1,0,0,0,0|3,0,0]=4 1936 B13R1.158 NC(=O)CCSc1ccncc1Br 62a_100000726257_100000744528 [0,1,0,0,0,0|3,0,0]=4 1937 B13R1.158 NC(=O)CCSc1ccncc1Br 62a_100000744528_100000726257 [0,1,0,0,0,0|3,0,0]=4 1938 B13R1.158 NC(=O)CCSc1ccncc1Cl 62a_100000708259_100000744528 [0,1,0,0,0,0|3,0,0]=4 1939 B13R1.158 NC(=O)CCSc1ccncc1Cl 62a_100000744528_100000708259 [0,1,0,0,0,0|3,0,0]=4 1940 B13R1.158 NC(=O)CCSc1ccncc1F 62a_100000047030_100000744528 [0,1,0,0,0,0|3,0,0]=4 1941 B13R1.158 NC(=O)CCSc1ccncc1F 62a_100000744528_100000047030 [0,1,0,0,0,0|3,0,0]=4 1942 B13R1.158 NC(=O)CCSc1ccncc1N 62a_100000744528_100000756074 [0,1,0,0,0,0|3,0,0]=4 1943 B13R1.158 NC(=O)CCSc1ccncc1N 62a_100000756074_100000744528 [0,1,0,0,0,0|3,0,0]=4 1944 B13R1.158 NC(=O)CCSc1ccncc1O 62a_100000744528_100009817591 [0,1,0,0,0,0|3,0,0]=4 1945 B13R1.158 NC(=O)CCSc1ccncc1O 62a_100009817591_100000744528 [0,1,0,0,0,0|3,0,0]=4 1946 B13R1.158 NC(=O)CCSc1cnccc1Br 62a_100000744528_100010138639 [0,1,0,0,0,0|3,0,0]=4 1947 B13R1.158 NC(=O)CCSc1cnccc1Br 62a_100010138639_100000744528 [0,1,0,0,0,0|3,0,0]=4 1948 B13R1.158 NC(=O)CCSc1cnccc1Cl 62a_100000744528_100009995489 [0,1,0,0,0,0|3,0,0]=4 1949 B13R1.158 NC(=O)CCSc1cnccc1Cl 62a_100009995489_100000744528 [0,1,0,0,0,0|3,0,0]=4 1950 B13R1.158 NC(=O)CCSc1cnccc1F 62a_100000744528_100009820683 [0,1,0,0,0,0|3,0,0]=4 1951 B13R1.158 NC(=O)CCSc1cnccc1F 62a_100009820683_100000744528 [0,1,0,0,0,0|3,0,0]=4 1952 B13R1.158 NC(=O)CCSc1cnccc1N 62a_100000047001_100000744528 [0,1,0,0,0,0|3,0,0]=4 1953 B13R1.158 NC(=O)CCSc1cnccc1N 62a_100000744528_100000047001 [0,1,0,0,0,0|3,0,0]=4 1954 B13R1.158 NC(=O)CCSc1ncccc1Br 62a_100000696092_100000744528 [0,1,0,0,0,0|3,0,0]=4 1955 B13R1.158 NC(=O)CCSc1ncccc1Br 62a_100000744528_100000696092 [0,1,0,0,0,0|3,0,0]=4 1956 B13R1.158 NC(=O)CCSc1ncccc1Cl 62a_100000744528_100011356963 [0,1,0,0,0,0|3,0,0]=4 1957 B13R1.158 NC(=O)CCSc1ncccc1Cl 62a_100011356963_100000744528 [0,1,0,0,0,0|3,0,0]=4 1958 B13R1.158 NC(=O)CCSc1ncccc1F 62a_100000685392_100000744528 [0,1,0,0,0,0|3,0,0]=4 1959 B13R1.158 NC(=O)CCSc1ncccc1F 62a_100000744528_100000685392 [0,1,0,0,0,0|3,0,0]=4 1960 B13R1.158 NC(=O)CCSc1ncccc1N 62a_100000688686_100000744528 [0,1,0,0,0,0|3,0,0]=4 1961 B13R1.158 NC(=O)CCSc1ncccc1N 62a_100000744528_100000688686 [0,1,0,0,0,0|3,0,0]=4 1962 B13R1.158 NC(=O)CCSc1ncccc1O 62a_100000034122_100000744528 [0,1,0,0,0,0|3,0,0]=4 1963 B13R1.158 NC(=O)CCSc1ncccc1O 62a_100000744528_100000034122 [0,1,0,0,0,0|3,0,0]=4 1964 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747473 [0,1,0,0,0,0|2,0,0]=3 1965 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000711301_100000184730 [0,1,0,0,0,0|2,0,0]=3 1966 B13R1.158 NC(=O)CNCc1ccccc1Br 34a_100000689332_100000187820 [0,1,0,0,0,0|2,0,0]=3 1967 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [0,1,0,0,0,0|2,0,0]=3 1968 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [0,1,0,0,0,0|2,0,0]=3 1969 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [0,1,0,0,0,0|2,0,0]=3 1970 B13R1.158 NC(=O)CNCc1ccccc1F 2230a_100000711301_100000211605 [0,1,0,0,0,0|2,0,0]=3 1971 B13R1.158 NC(=O)CNCc1ccccc1F 34a_100000174869_100000187820 [0,1,0,0,0,0|2,0,0]=3 1972 B13R1.158 NC(=O)CNCc1ccccc1I 2230a_100000711301_100011215278 [0,1,0,0,0,0|2,0,0]=3 1973 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [0,1,0,0,0,0|2,0,0]=3 1974 B13R1.158 NC(=O)CNCc1cccnc1Br 2230a_100000711301_100010140945 [0,1,0,0,0,0|3,0,0]=4 1975 B13R1.158 NC(=O)CNCc1cccnc1Br 2230a_100009818023_100000747473 [0,1,0,0,0,0|3,0,0]=4 1976 B13R1.158 NC(=O)CNCc1cccnc1Br 34a_100009818023_100000187820 [0,1,0,0,0,0|3,0,0]=4 1977 B13R1.158 NC(=O)CNCc1cccnc1Cl 2230a_100000711301_100000045678 [0,1,0,0,0,0|3,0,0]=4 1978 B13R1.158 NC(=O)CNCc1cccnc1Cl 2230a_100015189234_100000747473 [0,1,0,0,0,0|3,0,0]=4 1979 B13R1.158 NC(=O)CNCc1cccnc1Cl 34a_100015189234_100000187820 [0,1,0,0,0,0|3,0,0]=4 1980 B13R1.158 NC(=O)CNCc1cccnc1F 2230a_100000711301_100000099810 [0,1,0,0,0,0|3,0,0]=4 1981 B13R1.158 NC(=O)CNCc1cccnc1F 34a_100000724633_100000187820 [0,1,0,0,0,0|3,0,0]=4 1982 B13R1.158 NC(=O)CNCc1ccncc1Cl 2230a_100000711301_100000763264 [0,1,0,0,0,0|3,0,0]=4 1983 B13R1.158 NC(=O)CNCc1ccncc1F 34a_100011935246_100000187820 [0,1,0,0,0,0|3,0,0]=4 1984 B13R1.158 NC(=O)CNCc1ncccc1Br 2230a_100000711301_100025702911 [0,1,0,0,0,0|3,0,0]=4 1985 B13R1.158 NC(=O)CNCc1ncccc1Cl 2230a_100000711301_100000099807 [0,1,0,0,0,0|3,0,0]=4 1986 B13R1.158 NC(=O)CNCc1ncccc1Cl 2230a_100015189233_100000747473 [0,1,0,0,0,0|3,0,0]=4 1987 B13R1.158 NC(=O)CNCc1ncccc1F 2230a_100000711301_100000104219 [0,1,0,0,0,0|3,0,0]=4 1988 B13R1.158 NC(=O)CNCc1ncccc1F 34a_100000690088_100000187820 [0,1,0,0,0,0|3,0,0]=4 1989 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [0,1,0,0,0,0|2,0,0]=3 1990 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [0,1,0,0,0,0|2,0,0]=3 1991 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [0,1,0,0,0,0|2,0,0]=3 1992 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [0,1,0,0,0,0|2,0,0]=3 1993 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [0,1,0,0,0,0|2,0,0]=3 1994 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [0,1,0,0,0,0|2,0,0]=3 1995 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [0,1,0,0,0,0|2,0,0]=3 1996 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [0,1,0,0,0,0|2,0,0]=3 1997 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [0,1,0,0,0,0|2,0,0]=3 1998 B13R1.158 NC(=O)COCc1cccnc1Br 34a_100000719692_100000187820 [0,1,0,0,0,0|3,0,0]=4 1999 B13R1.158 NC(=O)COCc1cccnc1Br 7a_100000719692_100000187820 [0,1,0,0,0,0|3,0,0]=4 2000 B13R1.158 NC(=O)COCc1cccnc1Cl 34a_100000748726_100000187820 [0,1,0,0,0,0|3,0,0]=4 2001 B13R1.158 NC(=O)COCc1cccnc1Cl 7a_100000748726_100000187820 [0,1,0,0,0,0|3,0,0]=4 2002 B13R1.158 NC(=O)COCc1cccnc1F 34a_100000079888_100000187820 [0,1,0,0,0,0|3,0,0]=4 2003 B13R1.158 NC(=O)COCc1cccnc1F 7a_100000079888_100000187820 [0,1,0,0,0,0|3,0,0]=4 2004 B13R1.158 NC(=O)COCc1ccncc1F 34a_100012172863_100000187820 [0,1,0,0,0,0|3,0,0]=4 2005 B13R1.158 NC(=O)COCc1cnccc1Cl 34a_100000117392_100000187820 [0,1,0,0,0,0|3,0,0]=4 2006 B13R1.158 NC(=O)COCc1ncccc1Br 34a_100011996772_100000187820 [0,1,0,0,0,0|3,0,0]=4 2007 B13R1.158 NC(=O)COCc1ncccc1Cl 34a_100012002383_100000187820 [0,1,0,0,0,0|3,0,0]=4 2008 B13R1.158 NC(=O)COCc1ncccc1F 34a_100011934865_100000187820 [0,1,0,0,0,0|3,0,0]=4 2009 B13R1.158 NC(=O)COCc1ncccc1N 34a_114873767017_100000187820 [0,1,0,0,0,0|3,0,0]=4 2010 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000184730_100000747473 [0,1,0,0,0,0|2,0,0]=3 2011 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000747473_100000184730 [0,1,0,0,0,0|2,0,0]=3 2012 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [0,1,0,0,0,0|2,0,0]=3 2013 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [0,1,0,0,0,0|2,0,0]=3 2014 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000211605_100000747473 [0,1,0,0,0,0|2,0,0]=3 2015 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000747473_100000211605 [0,1,0,0,0,0|2,0,0]=3 2016 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100000747473_100011216222 [0,1,0,0,0,0|2,0,0]=3 2017 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100011216222_100000747473 [0,1,0,0,0,0|2,0,0]=3 2018 B13R1.158 NC(=O)CSCc1cccnc1Br 62a_100000747473_100010140945 [0,1,0,0,0,0|3,0,0]=4 2019 B13R1.158 NC(=O)CSCc1cccnc1Br 62a_100010140945_100000747473 [0,1,0,0,0,0|3,0,0]=4 2020 B13R1.158 NC(=O)CSCc1cccnc1Cl 62a_100000045678_100000747473 [0,1,0,0,0,0|3,0,0]=4 2021 B13R1.158 NC(=O)CSCc1cccnc1Cl 62a_100000747473_100000045678 [0,1,0,0,0,0|3,0,0]=4 2022 B13R1.158 NC(=O)CSCc1cccnc1F 62a_100000099810_100000747473 [0,1,0,0,0,0|3,0,0]=4 2023 B13R1.158 NC(=O)CSCc1cccnc1F 62a_100000747473_100000099810 [0,1,0,0,0,0|3,0,0]=4 2024 B13R1.158 NC(=O)CSCc1ccncc1Cl 62a_100000747473_100000763264 [0,1,0,0,0,0|3,0,0]=4 2025 B13R1.158 NC(=O)CSCc1ccncc1Cl 62a_100000763264_100000747473 [0,1,0,0,0,0|3,0,0]=4 2026 B13R1.158 NC(=O)CSCc1ncccc1Br 62a_100000747473_100025702911 [0,1,0,0,0,0|3,0,0]=4 2027 B13R1.158 NC(=O)CSCc1ncccc1Br 62a_100025702911_100000747473 [0,1,0,0,0,0|3,0,0]=4 2028 B13R1.158 NC(=O)CSCc1ncccc1Cl 62a_100000099807_100000747473 [0,1,0,0,0,0|3,0,0]=4 2029 B13R1.158 NC(=O)CSCc1ncccc1Cl 62a_100000747473_100000099807 [0,1,0,0,0,0|3,0,0]=4 2030 B13R1.158 NC(=O)CSCc1ncccc1F 62a_100000104219_100000747473 [0,1,0,0,0,0|3,0,0]=4 2031 B13R1.158 NC(=O)CSCc1ncccc1F 62a_100000747473_100000104219 [0,1,0,0,0,0|3,0,0]=4 2032 B13R1.158 NC(=O)CSCc1ncccc1O 62a_100000747473_200020655725 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.158 NC(=O)CSCc1ncccc1O 62a_200020655725_100000747473 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.158 Nc1ccccc1COCC(=O)[O-] 34a_100000212039_100020667443 [0,1,0,0,0,0|1,0,1]=3 2035 B13R1.158 Nc1ccccc1COC[N+](=O)[O-] 34a_100000212039_100000761209 [0,1,0,0,0,0|2,0,1]=4 2036 B13R1.158 Nc1cccnc1COCC(=O)[O-] 34a_114873767017_100020667443 [0,1,0,0,0,0|2,0,1]=4 2037 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,0|1,0,0]=2 2038 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,0|1,0,0]=2 2039 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,0|1,0,0]=2 2040 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,0|1,0,0]=2 2041 B13R1.158 O=C(O)CNCc1cccnc1Br 269956a_100016091260_100010140945 [0,1,0,0,0,0|2,0,0]=3 2042 B13R1.158 O=C(O)CNCc1cccnc1Cl 269956a_100016091260_100000045678 [0,1,0,0,0,0|2,0,0]=3 2043 B13R1.158 O=C(O)CNCc1cccnc1F 269956a_100016091260_100000099810 [0,1,0,0,0,0|2,0,0]=3 2044 B13R1.158 O=C(O)CNCc1ccncc1Cl 269956a_100016091260_100000763264 [0,1,0,0,0,0|2,0,0]=3 2045 B13R1.158 O=C(O)CNCc1ncccc1Br 269956a_100016091260_100025702911 [0,1,0,0,0,0|2,0,0]=3 2046 B13R1.158 O=C(O)CNCc1ncccc1Cl 269956a_100016091260_100000099807 [0,1,0,0,0,0|2,0,0]=3 2047 B13R1.158 O=C(O)CNCc1ncccc1F 269956a_100016091260_100000104219 [0,1,0,0,0,0|2,0,0]=3 2048 B13R1.158 O=C(O)CNCc1ncccc1O 269956a_100016091260_200020655725 [0,1,0,0,0,0|2,0,0]=3 2049 B13R1.158 O=C([O-])CNCc1ccccc1Br 34a_100000689332_100020667443 [0,1,0,0,0,0|1,0,1]=3 2050 B13R1.158 O=C([O-])CNCc1ccccc1Cl 34a_100000174879_100020667443 [0,1,0,0,0,0|1,0,1]=3 2051 B13R1.158 O=C([O-])CNCc1ccccc1F 34a_100000174869_100020667443 [0,1,0,0,0,0|1,0,1]=3 2052 B13R1.158 O=C([O-])CNCc1ccccc1O 34a_100000185550_100020667443 [0,1,0,0,0,0|1,0,1]=3 2053 B13R1.158 O=C([O-])CNCc1cccnc1Br 34a_100009818023_100020667443 [0,1,0,0,0,0|2,0,1]=4 2054 B13R1.158 O=C([O-])CNCc1cccnc1Cl 34a_100015189234_100020667443 [0,1,0,0,0,0|2,0,1]=4 2055 B13R1.158 O=C([O-])CNCc1cccnc1F 34a_100000724633_100020667443 [0,1,0,0,0,0|2,0,1]=4 2056 B13R1.158 O=C([O-])CNCc1ccncc1F 34a_100011935246_100020667443 [0,1,0,0,0,0|2,0,1]=4 2057 B13R1.158 O=C([O-])CNCc1ncccc1F 34a_100000690088_100020667443 [0,1,0,0,0,0|2,0,1]=4 2058 B13R1.158 O=C([O-])COCc1ccccc1Br 34a_100000756307_100020667443 [0,1,0,0,0,0|1,0,1]=3 2059 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [0,1,0,0,0,0|1,0,1]=3 2060 B13R1.158 O=C([O-])COCc1ccccc1F 34a_100000211962_100020667443 [0,1,0,0,0,0|1,0,1]=3 2061 B13R1.158 O=C([O-])COCc1ccccc1I 34a_100000187465_100020667443 [0,1,0,0,0,0|1,0,1]=3 2062 B13R1.158 O=C([O-])COCc1cccnc1Br 34a_100000719692_100020667443 [0,1,0,0,0,0|2,0,1]=4 2063 B13R1.158 O=C([O-])COCc1cccnc1Cl 34a_100000748726_100020667443 [0,1,0,0,0,0|2,0,1]=4 2064 B13R1.158 O=C([O-])COCc1cccnc1F 34a_100000079888_100020667443 [0,1,0,0,0,0|2,0,1]=4 2065 B13R1.158 O=C([O-])COCc1ccncc1F 34a_100012172863_100020667443 [0,1,0,0,0,0|2,0,1]=4 2066 B13R1.158 O=C([O-])COCc1cnccc1Cl 34a_100000117392_100020667443 [0,1,0,0,0,0|2,0,1]=4 2067 B13R1.158 O=C([O-])COCc1ncccc1Br 34a_100011996772_100020667443 [0,1,0,0,0,0|2,0,1]=4 2068 B13R1.158 O=C([O-])COCc1ncccc1Cl 34a_100012002383_100020667443 [0,1,0,0,0,0|2,0,1]=4 2069 B13R1.158 O=C([O-])COCc1ncccc1F 34a_100011934865_100020667443 [0,1,0,0,0,0|2,0,1]=4 2070 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100000184730_100020667443 [0,1,0,0,0,0|1,0,1]=3 2071 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100020667443_100000184730 [0,1,0,0,0,0|1,0,1]=3 2072 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100000187162_100020667443 [0,1,0,0,0,0|1,0,1]=3 2073 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100020667443_100000187162 [0,1,0,0,0,0|1,0,1]=3 2074 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100000211605_100020667443 [0,1,0,0,0,0|1,0,1]=3 2075 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100020667443_100000211605 [0,1,0,0,0,0|1,0,1]=3 2076 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100011216222_100020667443 [0,1,0,0,0,0|1,0,1]=3 2077 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100020667443_100011216222 [0,1,0,0,0,0|1,0,1]=3 2078 B13R1.158 O=C([O-])CSCc1cccnc1Br 62a_100010140945_100020667443 [0,1,0,0,0,0|2,0,1]=4 2079 B13R1.158 O=C([O-])CSCc1cccnc1Br 62a_100020667443_100010140945 [0,1,0,0,0,0|2,0,1]=4 2080 B13R1.158 O=C([O-])CSCc1cccnc1Cl 62a_100000045678_100020667443 [0,1,0,0,0,0|2,0,1]=4 2081 B13R1.158 O=C([O-])CSCc1cccnc1Cl 62a_100020667443_100000045678 [0,1,0,0,0,0|2,0,1]=4 2082 B13R1.158 O=C([O-])CSCc1cccnc1F 62a_100000099810_100020667443 [0,1,0,0,0,0|2,0,1]=4 2083 B13R1.158 O=C([O-])CSCc1cccnc1F 62a_100020667443_100000099810 [0,1,0,0,0,0|2,0,1]=4 2084 B13R1.158 O=C([O-])CSCc1ccncc1Cl 62a_100000763264_100020667443 [0,1,0,0,0,0|2,0,1]=4 2085 B13R1.158 O=C([O-])CSCc1ccncc1Cl 62a_100020667443_100000763264 [0,1,0,0,0,0|2,0,1]=4 2086 B13R1.158 O=C([O-])CSCc1ncccc1Br 62a_100020667443_100025702911 [0,1,0,0,0,0|2,0,1]=4 2087 B13R1.158 O=C([O-])CSCc1ncccc1Br 62a_100025702911_100020667443 [0,1,0,0,0,0|2,0,1]=4 2088 B13R1.158 O=C([O-])CSCc1ncccc1Cl 62a_100000099807_100020667443 [0,1,0,0,0,0|2,0,1]=4 2089 B13R1.158 O=C([O-])CSCc1ncccc1Cl 62a_100020667443_100000099807 [0,1,0,0,0,0|2,0,1]=4 2090 B13R1.158 O=C([O-])CSCc1ncccc1F 62a_100000104219_100020667443 [0,1,0,0,0,0|2,0,1]=4 2091 B13R1.158 O=C([O-])CSCc1ncccc1F 62a_100020667443_100000104219 [0,1,0,0,0,0|2,0,1]=4 2092 B13R1.158 O=C([O-])CSCc1ncccc1O 62a_100020667443_200020655725 [0,1,0,0,0,0|2,0,1]=4 2093 B13R1.158 O=C([O-])CSCc1ncccc1O 62a_200020655725_100020667443 [0,1,0,0,0,0|2,0,1]=4 2094 B13R1.158 O=[N+]([O-])CNCc1ccccc1Br 34a_100000689332_100000761209 [0,1,0,0,0,0|2,0,1]=4 2095 B13R1.158 O=[N+]([O-])CNCc1ccccc1Cl 34a_100000174879_100000761209 [0,1,0,0,0,0|2,0,1]=4 2096 B13R1.158 O=[N+]([O-])CNCc1ccccc1F 34a_100000174869_100000761209 [0,1,0,0,0,0|2,0,1]=4 2097 B13R1.158 O=[N+]([O-])CNCc1ccccc1O 34a_100000185550_100000761209 [0,1,0,0,0,0|2,0,1]=4 2098 B13R1.158 O=[N+]([O-])COCc1ccccc1Br 34a_100000756307_100000761209 [0,1,0,0,0,0|2,0,1]=4 2099 B13R1.158 O=[N+]([O-])COCc1ccccc1Cl 34a_100000210847_100000761209 [0,1,0,0,0,0|2,0,1]=4 2100 B13R1.158 O=[N+]([O-])COCc1ccccc1F 34a_100000211962_100000761209 [0,1,0,0,0,0|2,0,1]=4 2101 B13R1.158 O=[N+]([O-])COCc1ccccc1I 34a_100000187465_100000761209 [0,1,0,0,0,0|2,0,1]=4 2102 B13R1.158 O=[N+]([O-])CSCc1ccccc1Br 62a_100000184730_100000761209 [0,1,0,0,0,0|2,0,1]=4 2103 B13R1.158 O=[N+]([O-])CSCc1ccccc1Cl 62a_100000187162_100000761209 [0,1,0,0,0,0|2,0,1]=4 2104 B13R1.158 O=[N+]([O-])CSCc1ccccc1F 62a_100000211605_100000761209 [0,1,0,0,0,0|2,0,1]=4 2105 B13R1.158 O=[N+]([O-])CSCc1ccccc1I 62a_100011216222_100000761209 [0,1,0,0,0,0|2,0,1]=4 2106 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,0,0,0,0|1,0,0]=2 2107 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,0,0,0,0|1,0,0]=2 2108 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,1,0,0,0,0|2,0,0]=3 2109 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,1,0,0,0,0|2,0,0]=3 2110 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,1,0,0,0,0|2,0,0]=3 2111 B13R1.158 [13CH3]C(=O)CCSc1ccccc1F 1458a_100000208832_200025704644 [0,1,0,0,0,0|2,0,0]=3 2112 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,1,0,0,0,0|2,0,0]=3 2113 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,1,0,0,0,0|2,0,0]=3 2114 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,1,0,0,0,0|3,0,0]=4 2115 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,1,0,0,0,0|3,0,0]=4 2116 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,1,0,0,0,0|3,0,0]=4 2117 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,1,0,0,0,0|3,0,0]=4 2118 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,1,0,0,0,0|3,0,0]=4 2119 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,1,0,0,0,0|3,0,0]=4 2120 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,1,0,0,0,0|3,0,0]=4 2121 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,1,0,0,0,0|3,0,0]=4 2122 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,1,0,0,0,0|3,0,0]=4 2123 B13R1.348 C=C(F)CN(C)Cc1ccccc1 2230a_100000186898_100009893438 [0,1,0,0,0,0|3,0,0]=4 2124 B13R1.348 C=C(F)CN(C)Cc1ccccc1 269982a_100000186898_100009893438 [0,1,0,0,0,0|3,0,0]=4 2125 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,0|1,0,1]=3 2126 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,0,0,0,0|2,0,1]=4 2127 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,0,0,0,0|2,0,1]=4 2128 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,0|2,0,0]=3 2129 B13R1.348 CC(=O)CN(C)Cc1ccccn1 1458a_100015184508_200000210301 [0,1,0,0,0,0|3,0,0]=4 2130 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,1,0,0,0,0|3,0,0]=4 2131 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,1,0,0,0,0|3,0,0]=4 2132 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,1,0,0,0,0|3,0,0]=4 2133 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,1,0,0,0,0|3,0,0]=4 2134 B13R1.348 CC(=O)NC(C)Cc1cccnc1 11a_100011207255_100015343762 [0,1,0,0,0,0|3,0,0]=4 2135 B13R1.348 CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100015343762 [0,1,0,0,0,0|3,0,0]=4 2136 B13R1.348 CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100015343762 [0,1,0,0,0,0|3,0,0]=4 2137 B13R1.348 CC(=O)NC(C)Cc1cccnc1 527a_100011207255_100103153847 [0,1,0,0,0,0|3,0,0]=4 2138 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,1,0,0,0,0|3,0,0]=4 2139 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,1,0,0,0,0|3,0,0]=4 2140 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,1,0,0,0,0|2,0,1]=4 2141 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,1,0,0,0,0|2,0,1]=4 2142 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,1,0,0,0,0|2,0,1]=4 2143 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,1,0,0,0,0|2,0,1]=4 2144 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,1,0,0,0,0|2,0,1]=4 2145 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,1,0,0,0,0|2,0,1]=4 2146 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,1,0,0,0,0|2,0,1]=4 2147 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,1,0,0,0,0|2,0,1]=4 2148 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,1,0,0,0,0|2,0,1]=4 2149 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,1,0,0,0,0|3,0,0]=4 2150 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,1,0,0,0,0|3,0,0]=4 2151 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,1,0,0,0,0|2,0,0]=3 2152 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,1,0,0,0,0|2,0,0]=3 2153 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,1,0,0,0,0|2,0,0]=3 2154 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,1,0,0,0,0|2,0,0]=3 2155 B13R1.348 CN(CC(=O)N)Cc1ccccn1 2230a_100000207498_100000747473 [0,1,0,0,0,0|3,0,0]=4 2156 B13R1.348 CN(CC(=O)N)Cc1ccccn1 2230a_100000739694_100000721315 [0,1,0,0,0,0|3,0,0]=4 2157 B13R1.348 CN(CC(=O)N)Cc1ccccn1 269982a_100000207498_100000187820 [0,1,0,0,0,0|3,0,0]=4 2158 B13R1.348 CN(CC(=O)N)Cc1ccccn1 270004a_100000739694_100000209966 [0,1,0,0,0,0|3,0,0]=4 2159 B13R1.348 CN(CC(=O)N)Cc1cccnc1 2230a_100000184577_100000747473 [0,1,0,0,0,0|3,0,0]=4 2160 B13R1.348 CN(CC(=O)N)Cc1cccnc1 2230a_100000739694_100000741622 [0,1,0,0,0,0|3,0,0]=4 2161 B13R1.348 CN(CC(=O)N)Cc1cccnc1 269982a_100000184577_100000187820 [0,1,0,0,0,0|3,0,0]=4 2162 B13R1.348 CN(CC(=O)N)Cc1cccnc1 270004a_100000739694_100000209961 [0,1,0,0,0,0|3,0,0]=4 2163 B13R1.348 CN(CC(=O)N)Cc1ccncc1 2230a_100000187231_100000747473 [0,1,0,0,0,0|3,0,0]=4 2164 B13R1.348 CN(CC(=O)N)Cc1ccncc1 2230a_100000739694_100015193705 [0,1,0,0,0,0|3,0,0]=4 2165 B13R1.348 CN(CC(=O)N)Cc1ccncc1 269982a_100000187231_100000187820 [0,1,0,0,0,0|3,0,0]=4 2166 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,0|1,0,0]=2 2167 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,0|1,0,0]=2 2168 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,1,0,0,0,0|2,0,0]=3 2169 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,1,0,0,0,0|2,0,0]=3 2170 B13R1.348 CN(CC(=O)O)Cc1cccnn1 269956a_100000746989_100016990269 [0,1,0,0,0,0|3,0,0]=4 2171 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,1,0,0,0,0|2,0,0]=3 2172 B13R1.348 CN(CC(=O)O)Cc1cnccn1 269956a_100000746989_100016995436 [0,1,0,0,0,0|3,0,0]=4 2173 B13R1.348 CN(CC(=O)O)Cc1cncnc1 269956a_100000746989_100016991940 [0,1,0,0,0,0|3,0,0]=4 2174 B13R1.348 CN(CC(=O)O)Cc1ncccn1 269956a_100000746989_100000703007 [0,1,0,0,0,0|3,0,0]=4 2175 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,0|2,0,0]=3 2176 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccn1 1458a_100015184508_200025704644 [0,1,0,0,0,0|3,0,0]=4 2177 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,1,0,0,0,0|1,0,1]=3 2178 B13R1.348 CN(CC(=O)[O-])Cc1ccccn1 269982a_100000207498_100020667443 [0,1,0,0,0,0|2,0,1]=4 2179 B13R1.348 CN(CC(=O)[O-])Cc1cccnc1 269982a_100000184577_100020667443 [0,1,0,0,0,0|2,0,1]=4 2180 B13R1.348 CN(CC(=O)[O-])Cc1ccncc1 269982a_100000187231_100020667443 [0,1,0,0,0,0|2,0,1]=4 2181 B13R1.348 CN(Cc1ccccc1)C[N+](=O)[O-] 269982a_100000186898_100000761209 [0,1,0,0,0,0|2,0,1]=4 2182 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,1,0,0,0,0|1,0,2]=4 2183 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,1,0,0,0,0|2,0,1]=4 2184 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,1,0,0,0,0|2,0,1]=4 2185 B13R1.348 NC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000187820 [0,1,0,0,0,0|2,0,1]=4 2186 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,1,0,0,0,0|1,0,1]=3 2187 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000187820 [0,1,0,0,0,0|2,0,1]=4 2188 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100134613110_100000721315 [0,1,0,0,0,0|2,0,1]=4 2189 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000187820 [0,1,0,0,0,0|2,0,1]=4 2190 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100134613110_100000733263 [0,1,0,0,0,0|2,0,1]=4 2191 B13R1.348 NC(=O)CC(=O)Cc1ccncc1 1458a_100134613110_100000705612 [0,1,0,0,0,0|2,0,1]=4 2192 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,1,0,0,0,0|2,0,1]=4 2193 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,1,0,0,0,0|2,0,1]=4 2194 B13R1.348 O=C([O-])CC(=O)C[n+]1ccccc1 1458a_200000086051_100020667443 [0,1,0,0,0,0|1,0,2]=4 2195 B13R1.348 O=C([O-])CC(=O)Cc1ccccn1 1458a_100000233486_100020667443 [0,1,0,0,0,0|1,0,2]=4 2196 B13R1.348 O=C([O-])CC(=O)Cc1cccnc1 1458a_100000737805_100020667443 [0,1,0,0,0,0|1,0,2]=4 2197 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,0|1,0,0]=2 2198 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,1,0,0,0,0|2,0,1]=4 2199 B13R1.351 C=C(C)C(C)NCc1ccccc1 269862a_100015324214_100011216138 [0,1,0,0,0,0|3,0,0]=4 2200 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,0|2,0,1]=4 2201 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,0|2,0,1]=4 2202 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,0|2,0,1]=4 2203 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,0|2,0,1]=4 2204 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,0|1,0,0]=2 2205 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,0|2,0,0]=3 2206 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,0|2,0,0]=3 2207 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,0|2,0,0]=3 2208 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,1,0,0,0,0|3,0,0]=4 2209 B13R1.351 CC(=O)C(C)OCc1cccnc1 34a_100000212229_100000733263 [0,1,0,0,0,0|3,0,0]=4 2210 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,0|2,0,0]=3 2211 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,0|2,0,0]=3 2212 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,0|2,0,0]=3 2213 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,1,0,0,0,0|3,0,0]=4 2214 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,1,0,0,0,0|3,0,0]=4 2215 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100000741622_100009814033 [0,1,0,0,0,0|3,0,0]=4 2216 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100009814033_100000741622 [0,1,0,0,0,0|3,0,0]=4 2217 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100009814033_100015193705 [0,1,0,0,0,0|3,0,0]=4 2218 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100015193705_100009814033 [0,1,0,0,0,0|3,0,0]=4 2219 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,0|1,0,0]=2 2220 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,0|2,0,0]=3 2221 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,0|2,0,0]=3 2222 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,0|2,0,0]=3 2223 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,0|2,0,0]=3 2224 B13R1.351 CC(=O)N(C)CCc1ccccn1 11a_100000737206_100015343762 [0,1,0,0,0,0|3,0,0]=4 2225 B13R1.351 CC(=O)N(C)CCc1ccccn1 1626a_100000737206_100015343762 [0,1,0,0,0,0|3,0,0]=4 2226 B13R1.351 CC(=O)N(C)CCc1ccccn1 240690a_100000737206_100015343762 [0,1,0,0,0,0|3,0,0]=4 2227 B13R1.351 CC(=O)N(C)CCc1ccccn1 527a_100000737206_100103153847 [0,1,0,0,0,0|3,0,0]=4 2228 B13R1.351 CC(=O)N(C)CCc1cccnc1 11a_100000763209_100015343762 [0,1,0,0,0,0|3,0,0]=4 2229 B13R1.351 CC(=O)N(C)CCc1cccnc1 1626a_100000763209_100015343762 [0,1,0,0,0,0|3,0,0]=4 2230 B13R1.351 CC(=O)N(C)CCc1cccnc1 240690a_100000763209_100015343762 [0,1,0,0,0,0|3,0,0]=4 2231 B13R1.351 CC(=O)N(C)CCc1cccnc1 527a_100000763209_100103153847 [0,1,0,0,0,0|3,0,0]=4 2232 B13R1.351 CC(=O)N(C)CCc1ccncc1 11a_100000742850_100015343762 [0,1,0,0,0,0|3,0,0]=4 2233 B13R1.351 CC(=O)N(C)CCc1ccncc1 240690a_100000742850_100015343762 [0,1,0,0,0,0|3,0,0]=4 2234 B13R1.351 CC(=O)N(C)CCc1ccncc1 527a_100000742850_100103153847 [0,1,0,0,0,0|3,0,0]=4 2235 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,0|2,0,0]=3 2236 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,0|1,0,0]=2 2237 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,1,0,0,0,0|3,0,0]=4 2238 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,1,0,0,0,0|2,0,0]=3 2239 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,1,0,0,0,0|2,0,0]=3 2240 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,0,0,0,0|2,0,0]=3 2241 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,0,0,0,0|2,0,0]=3 2242 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,0|2,0,0]=3 2243 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,0|2,0,0]=3 2244 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,0|2,0,0]=3 2245 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000702099_100000721315 [0,1,0,0,0,0|3,0,0]=4 2246 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000721315_100000702099 [0,1,0,0,0,0|3,0,0]=4 2247 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000702099_100000741622 [0,1,0,0,0,0|3,0,0]=4 2248 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000741622_100000702099 [0,1,0,0,0,0|3,0,0]=4 2249 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100000702099_100015193705 [0,1,0,0,0,0|3,0,0]=4 2250 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100015193705_100000702099 [0,1,0,0,0,0|3,0,0]=4 2251 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,1,0,0,0,0|2,0,0]=3 2252 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,1,0,0,0,0|2,0,0]=3 2253 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,1,0,0,0,0|2,0,0]=3 2254 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 2230a_100000119354_100000721315 [0,1,0,0,0,0|3,0,0]=4 2255 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 270004a_100000119354_100000209966 [0,1,0,0,0,0|3,0,0]=4 2256 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 34a_100000119354_100000721315 [0,1,0,0,0,0|3,0,0]=4 2257 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 2230a_100000119354_100000741622 [0,1,0,0,0,0|3,0,0]=4 2258 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 270004a_100000119354_100000209961 [0,1,0,0,0,0|3,0,0]=4 2259 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 34a_100000119354_100000733263 [0,1,0,0,0,0|3,0,0]=4 2260 B13R1.351 C[C@@H](NCc1ccncc1)C(=O)N 2230a_100000119354_100015193705 [0,1,0,0,0,0|3,0,0]=4 2261 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,1,0,0,0,0|1,0,2]=4 2262 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,0,0,0,0|2,0,0]=3 2263 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,0,0,0,0|2,0,0]=3 2264 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 34a_100000731257_100000721315 [0,1,0,0,0,0|3,0,0]=4 2265 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 7a_100000731257_100000721315 [0,1,0,0,0,0|3,0,0]=4 2266 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 34a_100000731257_100000733263 [0,1,0,0,0,0|3,0,0]=4 2267 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 7a_100000731257_100000741622 [0,1,0,0,0,0|3,0,0]=4 2268 B13R1.351 C[C@@H](OCc1ccncc1)C(=O)N 7a_100000731257_100015193705 [0,1,0,0,0,0|3,0,0]=4 2269 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,0|1,0,0]=2 2270 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,1,0,0,0,0|2,0,0]=3 2271 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,1,0,0,0,0|2,0,0]=3 2272 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O 269956a_100000743915_100016990269 [0,1,0,0,0,0|3,0,0]=4 2273 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,1,0,0,0,0|2,0,0]=3 2274 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O 269956a_100000743915_100016995436 [0,1,0,0,0,0|3,0,0]=4 2275 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O 269956a_100000743915_100016991940 [0,1,0,0,0,0|3,0,0]=4 2276 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O 269956a_100000743915_100000703007 [0,1,0,0,0,0|3,0,0]=4 2277 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,1,0,0,0,0|1,0,2]=4 2278 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,0|2,0,0]=3 2279 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,0|1,0,1]=3 2280 B13R1.351 C[C@H](OCc1ccccn1)C(=O)[O-] 7a_217856618621_100000721315 [0,1,0,0,0,0|2,0,1]=4 2281 B13R1.351 C[C@H](OCc1cccnc1)C(=O)[O-] 7a_217856618621_100000741622 [0,1,0,0,0,0|2,0,1]=4 2282 B13R1.351 C[C@H](OCc1ccncc1)C(=O)[O-] 7a_217856618621_100015193705 [0,1,0,0,0,0|2,0,1]=4 2283 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,1,0,0,0,0|2,0,1]=4 2284 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,1,0,0,0,0|2,0,0]=3 2285 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,1,0,0,0,0|2,0,0]=3 2286 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,1,0,0,0,0|2,0,0]=3 2287 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,1,0,0,0,0|2,0,0]=3 2288 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,1,0,0,0,0|2,0,0]=3 2289 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,1,0,0,0,0|2,0,0]=3 2290 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100000721315_100009813875 [0,1,0,0,0,0|3,0,0]=4 2291 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100009813875_100000721315 [0,1,0,0,0,0|3,0,0]=4 2292 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100000741622_100009813875 [0,1,0,0,0,0|3,0,0]=4 2293 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100009813875_100000741622 [0,1,0,0,0,0|3,0,0]=4 2294 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100009813875_100015193705 [0,1,0,0,0,0|3,0,0]=4 2295 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100015193705_100009813875 [0,1,0,0,0,0|3,0,0]=4 2296 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,1,0,0,0,0|0,0,3]=4 2297 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,1,0,0,0,0|1,0,1]=3 2298 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,1,0,0,0,0|1,0,1]=3 2299 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,1,0,0,0,0|1,0,1]=3 2300 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,1,0,0,0,0|1,0,1]=3 2301 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100000721315_100020610796 [0,1,0,0,0,0|2,0,1]=4 2302 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100020610796_100000721315 [0,1,0,0,0,0|2,0,1]=4 2303 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100000741622_100020610796 [0,1,0,0,0,0|2,0,1]=4 2304 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100020610796_100000741622 [0,1,0,0,0,0|2,0,1]=4 2305 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100015193705_100020610796 [0,1,0,0,0,0|2,0,1]=4 2306 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100020610796_100015193705 [0,1,0,0,0,0|2,0,1]=4 2307 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,0|1,0,0]=2 2308 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000730704 [0,1,0,0,0,0|3,0,0]=4 2309 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 34a_100000210018_100000730704 [0,1,0,0,0,0|3,0,0]=4 2310 B13R1.513 C=C(C)CCNc1ccc(cc1)C 34a_100000124888_100000730704 [0,1,0,0,0,0|3,0,0]=4 2311 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000730704 [0,1,0,0,0,0|3,0,0]=4 2312 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000730704 [0,1,0,0,0,0|3,0,0]=4 2313 B13R1.513 C=C(C)CCNc1ccc(cc1)F 34a_100000185862_100000730704 [0,1,0,0,0,0|3,0,0]=4 2314 B13R1.513 C=C(C)CCNc1ccc(cc1)I 34a_100000185761_100000730704 [0,1,0,0,0,0|3,0,0]=4 2315 B13R1.513 C=C(C)CCNc1ccc(cc1)O 34a_100000185829_100000730704 [0,1,0,0,0,0|3,0,0]=4 2316 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 34a_100000185759_100000730704 [0,1,0,0,0,0|3,0,0]=4 2317 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 7a_100000185759_100000730704 [0,1,0,0,0,0|3,0,0]=4 2318 B13R1.513 C=C(C)CCOc1ccc(cc1)C 34a_100000210336_100000730704 [0,1,0,0,0,0|3,0,0]=4 2319 B13R1.513 C=C(C)CCOc1ccc(cc1)C 7a_100000210336_100000730704 [0,1,0,0,0,0|3,0,0]=4 2320 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [0,1,0,0,0,0|3,0,0]=4 2321 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [0,1,0,0,0,0|3,0,0]=4 2322 B13R1.513 C=C(C)CCOc1ccc(cc1)F 34a_100000210339_100000730704 [0,1,0,0,0,0|3,0,0]=4 2323 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [0,1,0,0,0,0|3,0,0]=4 2324 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [0,1,0,0,0,0|3,0,0]=4 2325 B13R1.513 C=C(C)CCOc1ccc(cc1)N 34a_100000185829_100000730704 [0,1,0,0,0,0|3,0,0]=4 2326 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000730704_100000752885 [0,1,0,0,0,0|3,0,0]=4 2327 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000752885_100000730704 [0,1,0,0,0,0|3,0,0]=4 2328 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000186775_100000730704 [0,1,0,0,0,0|3,0,0]=4 2329 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000730704_100000186775 [0,1,0,0,0,0|3,0,0]=4 2330 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000730704_100000755918 [0,1,0,0,0,0|3,0,0]=4 2331 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000730704 [0,1,0,0,0,0|3,0,0]=4 2332 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000211213_100000730704 [0,1,0,0,0,0|3,0,0]=4 2333 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000730704_100000211213 [0,1,0,0,0,0|3,0,0]=4 2334 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000185761_100000730704 [0,1,0,0,0,0|3,0,0]=4 2335 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000730704_100000185761 [0,1,0,0,0,0|3,0,0]=4 2336 B13R1.513 C=C(C)CCSc1ccc(cc1)O 62a_100000730704_100000185759 [0,1,0,0,0,0|3,0,0]=4 2337 B13R1.513 C=C(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000748629 [0,1,0,0,0,0|3,0,0]=4 2338 B13R1.513 C=C(C)CNCc1ccc(cc1)Br 34a_100000174875_100000748629 [0,1,0,0,0,0|3,0,0]=4 2339 B13R1.513 C=C(C)CNCc1ccc(cc1)C 2230a_100000174908_100000748629 [0,1,0,0,0,0|3,0,0]=4 2340 B13R1.513 C=C(C)CNCc1ccc(cc1)C 34a_100000174908_100000748629 [0,1,0,0,0,0|3,0,0]=4 2341 B13R1.513 C=C(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000748629 [0,1,0,0,0,0|3,0,0]=4 2342 B13R1.513 C=C(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000748629 [0,1,0,0,0,0|3,0,0]=4 2343 B13R1.513 C=C(C)CNCc1ccc(cc1)F 2230a_100000174882_100000748629 [0,1,0,0,0,0|3,0,0]=4 2344 B13R1.513 C=C(C)CNCc1ccc(cc1)F 34a_100000174882_100000748629 [0,1,0,0,0,0|3,0,0]=4 2345 B13R1.513 C=C(C)CNCc1ccc(cc1)I 2230a_100016989417_100000748629 [0,1,0,0,0,0|3,0,0]=4 2346 B13R1.513 C=C(C)CNCc1ccc(cc1)I 34a_100016989417_100000748629 [0,1,0,0,0,0|3,0,0]=4 2347 B13R1.513 C=C(C)CNCc1ccc(cc1)O 34a_100000185549_100000748629 [0,1,0,0,0,0|3,0,0]=4 2348 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000210245_100000189115 [0,1,0,0,0,0|3,0,0]=4 2349 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000695286_100000748629 [0,1,0,0,0,0|3,0,0]=4 2350 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100000210245_100000210814 [0,1,0,0,0,0|3,0,0]=4 2351 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100011215236_100000748629 [0,1,0,0,0,0|3,0,0]=4 2352 B13R1.513 C=C(C)COCc1ccc(cc1)C 7a_100011215236_100000748629 [0,1,0,0,0,0|3,0,0]=4 2353 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000210245_100000694040 [0,1,0,0,0,0|3,0,0]=4 2354 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748629 [0,1,0,0,0,0|3,0,0]=4 2355 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748629 [0,1,0,0,0,0|3,0,0]=4 2356 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210245_100000198546 [0,1,0,0,0,0|3,0,0]=4 2357 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210977_100000748629 [0,1,0,0,0,0|3,0,0]=4 2358 B13R1.513 C=C(C)COCc1ccc(cc1)F 7a_100000210977_100000748629 [0,1,0,0,0,0|3,0,0]=4 2359 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000210245_100000189116 [0,1,0,0,0,0|3,0,0]=4 2360 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000690907_100000748629 [0,1,0,0,0,0|3,0,0]=4 2361 B13R1.513 C=C(C)COCc1ccc(cc1)I 7a_100000690907_100000748629 [0,1,0,0,0,0|3,0,0]=4 2362 B13R1.513 C=C(C)COCc1ccc(cc1)N 34a_100011215238_100000748629 [0,1,0,0,0,0|3,0,0]=4 2363 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000189115_100000211660 [0,1,0,0,0,0|3,0,0]=4 2364 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000748629_100000189115 [0,1,0,0,0,0|3,0,0]=4 2365 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000210814_100000211660 [0,1,0,0,0,0|3,0,0]=4 2366 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000748629_100000210814 [0,1,0,0,0,0|3,0,0]=4 2367 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000211660 [0,1,0,0,0,0|3,0,0]=4 2368 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000748629_100000187161 [0,1,0,0,0,0|3,0,0]=4 2369 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000198546_100000211660 [0,1,0,0,0,0|3,0,0]=4 2370 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000748629_100000187164 [0,1,0,0,0,0|3,0,0]=4 2371 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000189116_100000211660 [0,1,0,0,0,0|3,0,0]=4 2372 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000748629_100000189116 [0,1,0,0,0,0|3,0,0]=4 2373 B13R1.513 C=C(F)CNCc1ccc(cc1)Br 2230a_100000174875_100009893438 [0,1,0,0,0,0|3,0,0]=4 2374 B13R1.513 C=C(F)CNCc1ccc(cc1)Br 34a_100000174875_100009893438 [0,1,0,0,0,0|3,0,0]=4 2375 B13R1.513 C=C(F)CNCc1ccc(cc1)C 2230a_100000174908_100009893438 [0,1,0,0,0,0|3,0,0]=4 2376 B13R1.513 C=C(F)CNCc1ccc(cc1)C 34a_100000174908_100009893438 [0,1,0,0,0,0|3,0,0]=4 2377 B13R1.513 C=C(F)CNCc1ccc(cc1)Cl 2230a_100000174871_100009893438 [0,1,0,0,0,0|3,0,0]=4 2378 B13R1.513 C=C(F)CNCc1ccc(cc1)Cl 34a_100000174871_100009893438 [0,1,0,0,0,0|3,0,0]=4 2379 B13R1.513 C=C(F)CNCc1ccc(cc1)F 2230a_100000174882_100009893438 [0,1,0,0,0,0|3,0,0]=4 2380 B13R1.513 C=C(F)CNCc1ccc(cc1)F 34a_100000174882_100009893438 [0,1,0,0,0,0|3,0,0]=4 2381 B13R1.513 C=C(F)CNCc1ccc(cc1)I 2230a_100016989417_100009893438 [0,1,0,0,0,0|3,0,0]=4 2382 B13R1.513 C=C(F)CNCc1ccc(cc1)I 34a_100016989417_100009893438 [0,1,0,0,0,0|3,0,0]=4 2383 B13R1.513 C=C(F)CNCc1ccc(cc1)O 34a_100000185549_100009893438 [0,1,0,0,0,0|3,0,0]=4 2384 B13R1.513 C=C(F)COCc1ccc(cc1)Br 34a_100000695286_100009893438 [0,1,0,0,0,0|3,0,0]=4 2385 B13R1.513 C=C(F)COCc1ccc(cc1)Br 34a_200010262243_100000189115 [0,1,0,0,0,0|3,0,0]=4 2386 B13R1.513 C=C(F)COCc1ccc(cc1)C 34a_100011215236_100009893438 [0,1,0,0,0,0|3,0,0]=4 2387 B13R1.513 C=C(F)COCc1ccc(cc1)C 34a_200010262243_100000210814 [0,1,0,0,0,0|3,0,0]=4 2388 B13R1.513 C=C(F)COCc1ccc(cc1)C 7a_100011215236_100000042424 [0,1,0,0,0,0|3,0,0]=4 2389 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_100000211118_100009893438 [0,1,0,0,0,0|3,0,0]=4 2390 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_200010262243_100000694040 [0,1,0,0,0,0|3,0,0]=4 2391 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 7a_100000211118_100000042424 [0,1,0,0,0,0|3,0,0]=4 2392 B13R1.513 C=C(F)COCc1ccc(cc1)F 34a_100000210977_100009893438 [0,1,0,0,0,0|3,0,0]=4 2393 B13R1.513 C=C(F)COCc1ccc(cc1)F 34a_200010262243_100000198546 [0,1,0,0,0,0|3,0,0]=4 2394 B13R1.513 C=C(F)COCc1ccc(cc1)F 7a_100000210977_100000042424 [0,1,0,0,0,0|3,0,0]=4 2395 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_100000690907_100009893438 [0,1,0,0,0,0|3,0,0]=4 2396 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_200010262243_100000189116 [0,1,0,0,0,0|3,0,0]=4 2397 B13R1.513 C=C(F)COCc1ccc(cc1)I 7a_100000690907_100000042424 [0,1,0,0,0,0|3,0,0]=4 2398 B13R1.513 C=C(F)COCc1ccc(cc1)N 34a_100011215238_100009893438 [0,1,0,0,0,0|3,0,0]=4 2399 B13R1.513 C=C(F)CSCc1ccc(cc1)Br 62a_100000042424_100000189115 [0,1,0,0,0,0|3,0,0]=4 2400 B13R1.513 C=C(F)CSCc1ccc(cc1)Br 62a_100000189115_100000042424 [0,1,0,0,0,0|3,0,0]=4 2401 B13R1.513 C=C(F)CSCc1ccc(cc1)C 62a_100000042424_100000210814 [0,1,0,0,0,0|3,0,0]=4 2402 B13R1.513 C=C(F)CSCc1ccc(cc1)C 62a_100000210814_100000042424 [0,1,0,0,0,0|3,0,0]=4 2403 B13R1.513 C=C(F)CSCc1ccc(cc1)Cl 62a_100000042424_100000187161 [0,1,0,0,0,0|3,0,0]=4 2404 B13R1.513 C=C(F)CSCc1ccc(cc1)Cl 62a_100000187161_100000042424 [0,1,0,0,0,0|3,0,0]=4 2405 B13R1.513 C=C(F)CSCc1ccc(cc1)F 62a_100000042424_100000187164 [0,1,0,0,0,0|3,0,0]=4 2406 B13R1.513 C=C(F)CSCc1ccc(cc1)F 62a_100000198546_100000042424 [0,1,0,0,0,0|3,0,0]=4 2407 B13R1.513 C=C(F)CSCc1ccc(cc1)I 62a_100000042424_100000189116 [0,1,0,0,0,0|3,0,0]=4 2408 B13R1.513 C=C(F)CSCc1ccc(cc1)I 62a_100000189116_100000042424 [0,1,0,0,0,0|3,0,0]=4 2409 B13R1.513 CC(=O)CC#Cc1ccc(cc1)Br 1458a_100000070787_100010706785 [0,1,0,0,0,0|1,0,2]=4 2410 B13R1.513 CC(=O)CC#Cc1ccc(cc1)F 1458a_100000070787_100010402171 [0,1,0,0,0,0|1,0,2]=4 2411 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,1,0,0,0,0|1,0,0]=2 2412 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,1,0,0,0,0|1,0,0]=2 2413 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,1,0,0,0,0|1,0,0]=2 2414 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,1,0,0,0,0|1,0,0]=2 2415 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,1,0,0,0,0|1,0,0]=2 2416 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,1,0,0,0,0|1,0,0]=2 2417 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,1,0,0,0,0|1,0,0]=2 2418 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,1,0,0,0,0|1,0,0]=2 2419 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,1,0,0,0,0|1,0,0]=2 2420 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,1,0,0,0,0|2,0,0]=3 2421 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,1,0,0,0,0|2,0,0]=3 2422 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,1,0,0,0,0|2,0,0]=3 2423 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,1,0,0,0,0|2,0,0]=3 2424 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,1,0,0,0,0|2,0,0]=3 2425 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,1,0,0,0,0|2,0,0]=3 2426 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,1,0,0,0,0|2,0,0]=3 2427 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,1,0,0,0,0|2,0,0]=3 2428 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,1,0,0,0,0|2,0,0]=3 2429 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,1,0,0,0,0|2,0,0]=3 2430 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,1,0,0,0,0|2,0,0]=3 2431 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,1,0,0,0,0|2,0,0]=3 2432 B13R1.513 CC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000053229 [0,1,0,0,0,0|3,0,0]=4 2433 B13R1.513 CC(=O)CCOc1ccc(nc1)C 7a_100000745506_100000053229 [0,1,0,0,0,0|3,0,0]=4 2434 B13R1.513 CC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000053229 [0,1,0,0,0,0|3,0,0]=4 2435 B13R1.513 CC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000053229 [0,1,0,0,0,0|3,0,0]=4 2436 B13R1.513 CC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000053229 [0,1,0,0,0,0|3,0,0]=4 2437 B13R1.513 CC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000053229 [0,1,0,0,0,0|3,0,0]=4 2438 B13R1.513 CC(=O)CCSc1cc[n+](cc1)[O-] 62a_100000053229_100000039755 [0,1,0,0,0,0|3,0,0]=4 2439 B13R1.513 CC(=O)CCSc1ccc(=O)[nH]c1 62a_100000053229_100000212171 [0,1,0,0,0,0|3,0,0]=4 2440 B13R1.513 CC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000053229 [0,1,0,0,0,0|3,0,0]=4 2441 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200000210301 [0,1,0,0,0,0|2,0,0]=3 2442 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000053229_100000752885 [0,1,0,0,0,0|2,0,0]=3 2443 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000053229 [0,1,0,0,0,0|2,0,0]=3 2444 B13R1.513 CC(=O)CCSc1ccc(cc1)C 1458a_100000182377_200000210301 [0,1,0,0,0,0|2,0,0]=3 2445 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000053229_100000186775 [0,1,0,0,0,0|2,0,0]=3 2446 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000053229 [0,1,0,0,0,0|2,0,0]=3 2447 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [0,1,0,0,0,0|2,0,0]=3 2448 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [0,1,0,0,0,0|2,0,0]=3 2449 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [0,1,0,0,0,0|2,0,0]=3 2450 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1458a_100000199091_200000210301 [0,1,0,0,0,0|2,0,0]=3 2451 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000053229_100000211213 [0,1,0,0,0,0|2,0,0]=3 2452 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000053229 [0,1,0,0,0,0|2,0,0]=3 2453 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000053229_100000185761 [0,1,0,0,0,0|2,0,0]=3 2454 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000053229 [0,1,0,0,0,0|2,0,0]=3 2455 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [0,1,0,0,0,0|2,0,0]=3 2456 B13R1.513 CC(=O)CCSc1ccc(cn1)Br 62a_100000053229_100000686858 [0,1,0,0,0,0|3,0,0]=4 2457 B13R1.513 CC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000053229 [0,1,0,0,0,0|3,0,0]=4 2458 B13R1.513 CC(=O)CCSc1ccc(cn1)C 62a_100000053229_100000754016 [0,1,0,0,0,0|3,0,0]=4 2459 B13R1.513 CC(=O)CCSc1ccc(cn1)C 62a_100011192072_100000053229 [0,1,0,0,0,0|3,0,0]=4 2460 B13R1.513 CC(=O)CCSc1ccc(cn1)Cl 62a_100000053229_100011356976 [0,1,0,0,0,0|3,0,0]=4 2461 B13R1.513 CC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000053229 [0,1,0,0,0,0|3,0,0]=4 2462 B13R1.513 CC(=O)CCSc1ccc(cn1)F 62a_100000053229_100000744514 [0,1,0,0,0,0|3,0,0]=4 2463 B13R1.513 CC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000053229 [0,1,0,0,0,0|3,0,0]=4 2464 B13R1.513 CC(=O)CCSc1ccc(cn1)N 62a_100000053229_100000737798 [0,1,0,0,0,0|3,0,0]=4 2465 B13R1.513 CC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000053229 [0,1,0,0,0,0|3,0,0]=4 2466 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000053229_100000744096 [0,1,0,0,0,0|3,0,0]=4 2467 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000053229 [0,1,0,0,0,0|3,0,0]=4 2468 B13R1.513 CC(=O)CCSc1ccc(nc1)Br 62a_100000053229_100009814638 [0,1,0,0,0,0|3,0,0]=4 2469 B13R1.513 CC(=O)CCSc1ccc(nc1)Br 62a_100009814638_100000053229 [0,1,0,0,0,0|3,0,0]=4 2470 B13R1.513 CC(=O)CCSc1ccc(nc1)C 62a_100000053229_100000751577 [0,1,0,0,0,0|3,0,0]=4 2471 B13R1.513 CC(=O)CCSc1ccc(nc1)C 62a_100000751577_100000053229 [0,1,0,0,0,0|3,0,0]=4 2472 B13R1.513 CC(=O)CCSc1ccc(nc1)Cl 62a_100000034144_100000053229 [0,1,0,0,0,0|3,0,0]=4 2473 B13R1.513 CC(=O)CCSc1ccc(nc1)Cl 62a_100000053229_100000034144 [0,1,0,0,0,0|3,0,0]=4 2474 B13R1.513 CC(=O)CCSc1ccc(nc1)F 62a_100000042367_100000053229 [0,1,0,0,0,0|3,0,0]=4 2475 B13R1.513 CC(=O)CCSc1ccc(nc1)F 62a_100000053229_100000042367 [0,1,0,0,0,0|3,0,0]=4 2476 B13R1.513 CC(=O)CCSc1ccc(nc1)N 62a_100000053229_100000187370 [0,1,0,0,0,0|3,0,0]=4 2477 B13R1.513 CC(=O)CCSc1ccc(nc1)N 62a_100000187370_100000053229 [0,1,0,0,0,0|3,0,0]=4 2478 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,1,0,0,0,0|2,0,0]=3 2479 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,1,0,0,0,0|2,0,0]=3 2480 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,1,0,0,0,0|2,0,0]=3 2481 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,1,0,0,0,0|2,0,0]=3 2482 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,1,0,0,0,0|2,0,0]=3 2483 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,1,0,0,0,0|2,0,0]=3 2484 B13R1.513 CC(=O)COCc1ccc(cn1)Br 34a_100000211253_100000702658 [0,1,0,0,0,0|3,0,0]=4 2485 B13R1.513 CC(=O)COCc1ccc(cn1)C 34a_100000211253_100000691093 [0,1,0,0,0,0|3,0,0]=4 2486 B13R1.513 CC(=O)COCc1ccc(cn1)Cl 34a_100000211253_100012066911 [0,1,0,0,0,0|3,0,0]=4 2487 B13R1.513 CC(=O)COCc1ccc(cn1)F 34a_100000211253_100000703193 [0,1,0,0,0,0|3,0,0]=4 2488 B13R1.513 CC(=O)COCc1ccc(nc1)Br 34a_100000211253_100009831999 [0,1,0,0,0,0|3,0,0]=4 2489 B13R1.513 CC(=O)COCc1ccc(nc1)C 34a_100000211253_100016987292 [0,1,0,0,0,0|3,0,0]=4 2490 B13R1.513 CC(=O)COCc1ccc(nc1)Cl 34a_100000211253_100000735431 [0,1,0,0,0,0|3,0,0]=4 2491 B13R1.513 CC(=O)COCc1ccc(nc1)F 34a_100000211253_100000099788 [0,1,0,0,0,0|3,0,0]=4 2492 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [0,1,0,0,0,0|2,0,0]=3 2493 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [0,1,0,0,0,0|2,0,0]=3 2494 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [0,1,0,0,0,0|2,0,0]=3 2495 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,1,0,0,0,0|2,0,0]=3 2496 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,1,0,0,0,0|2,0,0]=3 2497 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,1,0,0,0,0|2,0,0]=3 2498 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,1,0,0,0,0|2,0,0]=3 2499 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [0,1,0,0,0,0|2,0,0]=3 2500 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [0,1,0,0,0,0|2,0,0]=3 2501 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [0,1,0,0,0,0|2,0,0]=3 2502 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [0,1,0,0,0,0|2,0,0]=3 2503 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [0,1,0,0,0,0|2,0,0]=3 2504 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [0,1,0,0,0,0|2,0,0]=3 2505 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [0,1,0,0,0,0|2,0,0]=3 2506 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [0,1,0,0,0,0|2,0,0]=3 2507 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [0,1,0,0,0,0|2,0,0]=3 2508 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [0,1,0,0,0,0|2,0,0]=3 2509 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [0,1,0,0,0,0|2,0,0]=3 2510 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [0,1,0,0,0,0|2,0,0]=3 2511 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,1,0,0,0,0|2,0,0]=3 2512 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,1,0,0,0,0|2,0,0]=3 2513 B13R1.513 CC(=O)NNCc1ccc(cc1)Br 22a_100016993955_100000070787 [0,1,0,0,0,0|3,0,0]=4 2514 B13R1.513 CC(=O)NNCc1ccc(cc1)C 22a_100011197965_100000070787 [0,1,0,0,0,0|3,0,0]=4 2515 B13R1.513 CC(=O)NNCc1ccc(cc1)Cl 22a_100000689899_100000070787 [0,1,0,0,0,0|3,0,0]=4 2516 B13R1.513 CC(=O)NNCc1ccc(cc1)F 22a_100000689900_100000070787 [0,1,0,0,0,0|3,0,0]=4 2517 B13R1.513 CC(=O)NNCc1ccc(cc1)I 22a_102495363730_100000070787 [0,1,0,0,0,0|3,0,0]=4 2518 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,1,0,0,0,0|2,0,0]=3 2519 B13R1.513 CC(=O)OCNc1ccc(cc1)Br 34a_100000210018_100009813279 [0,1,0,0,0,0|3,0,0]=4 2520 B13R1.513 CC(=O)OCNc1ccc(cc1)C 34a_100000124888_100009813279 [0,1,0,0,0,0|3,0,0]=4 2521 B13R1.513 CC(=O)OCNc1ccc(cc1)Cl 34a_100000210052_100009813279 [0,1,0,0,0,0|3,0,0]=4 2522 B13R1.513 CC(=O)OCNc1ccc(cc1)F 34a_100000185862_100009813279 [0,1,0,0,0,0|3,0,0]=4 2523 B13R1.513 CC(=O)OCNc1ccc(cc1)I 34a_100000185761_100009813279 [0,1,0,0,0,0|3,0,0]=4 2524 B13R1.513 CC(=O)OCNc1ccc(cc1)O 34a_100000185829_100009813279 [0,1,0,0,0,0|3,0,0]=4 2525 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [0,1,0,0,0,0|3,0,0]=4 2526 B13R1.513 CC(=O)OCOc1ccc(cc1)C 34a_100000210336_100009813279 [0,1,0,0,0,0|3,0,0]=4 2527 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [0,1,0,0,0,0|3,0,0]=4 2528 B13R1.513 CC(=O)OCOc1ccc(cc1)F 34a_100000210339_100009813279 [0,1,0,0,0,0|3,0,0]=4 2529 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [0,1,0,0,0,0|3,0,0]=4 2530 B13R1.513 CC(=O)OCOc1ccc(cc1)N 34a_100000185829_100009813279 [0,1,0,0,0,0|3,0,0]=4 2531 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000076356_100000752885 [0,1,0,0,0,0|3,0,0]=4 2532 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000076356 [0,1,0,0,0,0|3,0,0]=4 2533 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000076356_100000186775 [0,1,0,0,0,0|3,0,0]=4 2534 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000076356 [0,1,0,0,0,0|3,0,0]=4 2535 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000076356_100000755918 [0,1,0,0,0,0|3,0,0]=4 2536 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000076356 [0,1,0,0,0,0|3,0,0]=4 2537 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000076356_100000211213 [0,1,0,0,0,0|3,0,0]=4 2538 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000076356 [0,1,0,0,0,0|3,0,0]=4 2539 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000076356_100000185761 [0,1,0,0,0,0|3,0,0]=4 2540 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000076356 [0,1,0,0,0,0|3,0,0]=4 2541 B13R1.513 CC(=O)OCSc1ccc(cc1)O 62a_100000076356_100000185759 [0,1,0,0,0,0|3,0,0]=4 2542 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,1,0,0,0,0|2,0,1]=4 2543 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,1,0,0,0,0|2,0,1]=4 2544 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,1,0,0,0,0|2,0,1]=4 2545 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,1,0,0,0,0|2,0,1]=4 2546 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,1,0,0,0,0|2,0,1]=4 2547 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,1,0,0,0,0|2,0,1]=4 2548 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,1,0,0,0,0|2,0,1]=4 2549 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,1,0,0,0,0|2,0,1]=4 2550 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,1,0,0,0,0|2,0,1]=4 2551 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,1,0,0,0,0|2,0,1]=4 2552 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,1,0,0,0,0|2,0,1]=4 2553 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,1,0,0,0,0|2,0,1]=4 2554 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,1,0,0,0,0|2,0,1]=4 2555 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,1,0,0,0,0|2,0,1]=4 2556 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,1,0,0,0,0|2,0,1]=4 2557 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,1,0,0,0,0|2,0,1]=4 2558 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,1,0,0,0,0|2,0,1]=4 2559 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,1,0,0,0,0|2,0,1]=4 2560 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,1,0,0,0,0|2,0,1]=4 2561 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,1,0,0,0,0|2,0,1]=4 2562 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,1,0,0,0,0|2,0,1]=4 2563 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,1,0,0,0,0|2,0,1]=4 2564 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,1,0,0,0,0|2,0,1]=4 2565 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,1,0,0,0,0|2,0,1]=4 2566 B13R1.513 CC(O)CNCc1ccc(cc1)Br 207a_100000210904_100000186029 [0,1,0,0,0,0|2,0,1]=4 2567 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218427 [0,1,0,0,0,0|2,0,1]=4 2568 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000210904_100011217064 [0,1,0,0,0,0|2,0,1]=4 2569 B13R1.513 CC(O)CNCc1ccc(cc1)Br 270004a_100000210904_100000186029 [0,1,0,0,0,0|2,0,1]=4 2570 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218427 [0,1,0,0,0,0|2,0,1]=4 2571 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,0,0,0,0|2,0,1]=4 2572 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [0,1,0,0,0,0|2,0,1]=4 2573 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [0,1,0,0,0,0|2,0,1]=4 2574 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [0,1,0,0,0,0|2,0,1]=4 2575 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [0,1,0,0,0,0|2,0,1]=4 2576 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [0,1,0,0,0,0|2,0,1]=4 2577 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,0,0,0,0|2,0,1]=4 2578 B13R1.513 CC(O)CNCc1ccc(cc1)F 207a_100000210904_100000210084 [0,1,0,0,0,0|2,0,1]=4 2579 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218427 [0,1,0,0,0,0|2,0,1]=4 2580 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000210904_100000198546 [0,1,0,0,0,0|2,0,1]=4 2581 B13R1.513 CC(O)CNCc1ccc(cc1)F 270004a_100000210904_100000210084 [0,1,0,0,0,0|2,0,1]=4 2582 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218427 [0,1,0,0,0,0|2,0,1]=4 2583 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,0,0,0,0|2,0,1]=4 2584 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [0,1,0,0,0,0|2,0,1]=4 2585 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [0,1,0,0,0,0|2,0,1]=4 2586 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [0,1,0,0,0,0|2,0,1]=4 2587 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,0,0,0,0|2,0,1]=4 2588 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [0,1,0,0,0,0|2,0,1]=4 2589 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,1,0,0,0,0|2,0,1]=4 2590 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,1,0,0,0,0|2,0,1]=4 2591 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,1,0,0,0,0|2,0,1]=4 2592 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,1,0,0,0,0|2,0,1]=4 2593 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,1,0,0,0,0|2,0,1]=4 2594 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,1,0,0,0,0|2,0,1]=4 2595 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,1,0,0,0,0|2,0,1]=4 2596 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,1,0,0,0,0|2,0,1]=4 2597 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,1,0,0,0,0|2,0,1]=4 2598 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218427 [0,1,0,0,0,0|2,0,1]=4 2599 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100011218427_100000189115 [0,1,0,0,0,0|2,0,1]=4 2600 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [0,1,0,0,0,0|2,0,1]=4 2601 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [0,1,0,0,0,0|2,0,1]=4 2602 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218427 [0,1,0,0,0,0|2,0,1]=4 2603 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100011218427_100000187164 [0,1,0,0,0,0|2,0,1]=4 2604 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [0,1,0,0,0,0|2,0,1]=4 2605 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [0,1,0,0,0,0|2,0,1]=4 2606 B13R1.513 CN(C)CCCc1ccc(cc1)Br 2230a_100102631434_100011713682 [0,1,0,0,0,0|3,0,0]=4 2607 B13R1.513 CN(C)CCCc1ccc(cc1)Br 269982a_100102631434_100011713682 [0,1,0,0,0,0|3,0,0]=4 2608 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 2230a_100102631434_100000759440 [0,1,0,0,0,0|3,0,0]=4 2609 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 269982a_100102631434_100000759440 [0,1,0,0,0,0|3,0,0]=4 2610 B13R1.513 CN(C)CCCc1ccc(cc1)F 2230a_100102631434_200011713563 [0,1,0,0,0,0|3,0,0]=4 2611 B13R1.513 CN(C)CCCc1ccc(cc1)F 269982a_100102631434_200011713563 [0,1,0,0,0,0|3,0,0]=4 2612 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009817552 [0,1,0,0,0,0|2,0,1]=4 2613 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009817552 [0,1,0,0,0,0|2,0,1]=4 2614 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [0,1,0,0,0,0|2,0,1]=4 2615 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [0,1,0,0,0,0|2,0,1]=4 2616 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009817552 [0,1,0,0,0,0|2,0,1]=4 2617 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009817552 [0,1,0,0,0,0|2,0,1]=4 2618 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [0,1,0,0,0,0|2,0,1]=4 2619 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [0,1,0,0,0,0|2,0,1]=4 2620 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,1,0,0,0,0|2,0,1]=4 2621 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,1,0,0,0,0|2,0,1]=4 2622 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,1,0,0,0,0|2,0,1]=4 2623 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,1,0,0,0,0|2,0,1]=4 2624 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,1,0,0,0,0|2,0,1]=4 2625 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,1,0,0,0,0|2,0,1]=4 2626 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,1,0,0,0,0|2,0,1]=4 2627 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,1,0,0,0,0|2,0,1]=4 2628 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,1,0,0,0,0|2,0,1]=4 2629 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009817552 [0,1,0,0,0,0|2,0,1]=4 2630 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100009817552_100000189115 [0,1,0,0,0,0|2,0,1]=4 2631 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [0,1,0,0,0,0|2,0,1]=4 2632 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [0,1,0,0,0,0|2,0,1]=4 2633 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009817552 [0,1,0,0,0,0|2,0,1]=4 2634 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100009817552_100000187164 [0,1,0,0,0,0|2,0,1]=4 2635 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [0,1,0,0,0,0|2,0,1]=4 2636 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [0,1,0,0,0,0|2,0,1]=4 2637 B13R1.513 C[n+]1ccc(cc1)COCC(=O)N 34a_100009831711_100000187820 [0,1,0,0,0,0|3,0,0]=4 2638 B13R1.513 C[n+]1ccc(cc1)COCC(=O)[O-] 34a_100009831711_100020667443 [0,1,0,0,0,0|2,0,1]=4 2639 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,1,0,0,0,0|1,0,0]=2 2640 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [0,1,0,0,0,0|2,0,0]=3 2641 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [0,1,0,0,0,0|2,0,0]=3 2642 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [0,1,0,0,0,0|2,0,0]=3 2643 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,0|1,0,0]=2 2644 B13R1.513 Cc1ccc(cc1)CNCC(=O)[O-] 34a_100000174908_100020667443 [0,1,0,0,0,0|1,0,1]=3 2645 B13R1.513 Cc1ccc(cc1)CNCC(C)O 207a_100000210904_100000211033 [0,1,0,0,0,0|2,0,1]=4 2646 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000174908_100011218427 [0,1,0,0,0,0|2,0,1]=4 2647 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000210814 [0,1,0,0,0,0|2,0,1]=4 2648 B13R1.513 Cc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000211033 [0,1,0,0,0,0|2,0,1]=4 2649 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000174908_100011218427 [0,1,0,0,0,0|2,0,1]=4 2650 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000210904_100000210814 [0,1,0,0,0,0|2,0,1]=4 2651 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 2230a_100000174908_100009817552 [0,1,0,0,0,0|2,0,1]=4 2652 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 34a_100000174908_100009817552 [0,1,0,0,0,0|2,0,1]=4 2653 B13R1.513 Cc1ccc(cc1)CNC[N+](=O)[O-] 34a_100000174908_100000761209 [0,1,0,0,0,0|2,0,1]=4 2654 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [0,1,0,0,0,0|2,0,0]=3 2655 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [0,1,0,0,0,0|2,0,0]=3 2656 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [0,1,0,0,0,0|1,0,1]=3 2657 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,1,0,0,0,0|2,0,1]=4 2658 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,1,0,0,0,0|2,0,1]=4 2659 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,1,0,0,0,0|2,0,1]=4 2660 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,1,0,0,0,0|2,0,1]=4 2661 B13R1.513 Cc1ccc(cc1)COC[N+](=O)[O-] 34a_100011215236_100000761209 [0,1,0,0,0,0|2,0,1]=4 2662 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [0,1,0,0,0,0|2,0,0]=3 2663 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [0,1,0,0,0,0|2,0,0]=3 2664 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000210814_100020667443 [0,1,0,0,0,0|1,0,1]=3 2665 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000210814 [0,1,0,0,0,0|1,0,1]=3 2666 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100000210814_100011218427 [0,1,0,0,0,0|2,0,1]=4 2667 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100011218427_100000210814 [0,1,0,0,0,0|2,0,1]=4 2668 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100000210814_100009817552 [0,1,0,0,0,0|2,0,1]=4 2669 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100009817552_100000210814 [0,1,0,0,0,0|2,0,1]=4 2670 B13R1.513 Cc1ccc(cc1)CSC[N+](=O)[O-] 62a_100000210814_100000761209 [0,1,0,0,0,0|2,0,1]=4 2671 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [0,1,0,0,0,0|2,0,0]=3 2672 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,1,0,0,0,0|2,0,1]=4 2673 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,1,0,0,0,0|2,0,0]=3 2674 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,1,0,0,0,0|2,0,0]=3 2675 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,1,0,0,0,0|2,0,0]=3 2676 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,1,0,0,0,0|2,0,1]=4 2677 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,1,0,0,0,0|2,0,1]=4 2678 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [0,1,0,0,0,0|2,0,0]=3 2679 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [0,1,0,0,0,0|2,0,0]=3 2680 B13R1.513 Cc1ccc(cc1)SCCC(=O)[13CH3] 1458a_100000182377_200025704644 [0,1,0,0,0,0|2,0,0]=3 2681 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,1,0,0,0,0|2,0,1]=4 2682 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,1,0,0,0,0|2,0,1]=4 2683 B13R1.513 Cc1ccc(cn1)CNCC(=O)N 2230a_100000711301_100016987292 [0,1,0,0,0,0|3,0,0]=4 2684 B13R1.513 Cc1ccc(cn1)CNCC(=O)N 34a_100000740942_100000187820 [0,1,0,0,0,0|3,0,0]=4 2685 B13R1.513 Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100016987292 [0,1,0,0,0,0|2,0,0]=3 2686 B13R1.513 Cc1ccc(cn1)CNCC(=O)[O-] 34a_100000740942_100020667443 [0,1,0,0,0,0|2,0,1]=4 2687 B13R1.513 Cc1ccc(cn1)COCC(=O)N 34a_100011248133_100000187820 [0,1,0,0,0,0|3,0,0]=4 2688 B13R1.513 Cc1ccc(cn1)COCC(=O)[O-] 34a_100011248133_100020667443 [0,1,0,0,0,0|2,0,1]=4 2689 B13R1.513 Cc1ccc(cn1)CSCC(=O)N 62a_100000747473_100016987292 [0,1,0,0,0,0|3,0,0]=4 2690 B13R1.513 Cc1ccc(cn1)CSCC(=O)N 62a_100016987292_100000747473 [0,1,0,0,0,0|3,0,0]=4 2691 B13R1.513 Cc1ccc(cn1)CSCC(=O)[O-] 62a_100016987292_100020667443 [0,1,0,0,0,0|2,0,1]=4 2692 B13R1.513 Cc1ccc(cn1)CSCC(=O)[O-] 62a_100020667443_100016987292 [0,1,0,0,0,0|2,0,1]=4 2693 B13R1.513 Cc1ccc(cn1)OCCC(=O)N 34a_100000745506_100000731001 [0,1,0,0,0,0|3,0,0]=4 2694 B13R1.513 Cc1ccc(cn1)OCCC(=O)N 7a_100000745506_100000744528 [0,1,0,0,0,0|3,0,0]=4 2695 B13R1.513 Cc1ccc(cn1)SCCC(=O)N 62a_100000744528_100000751577 [0,1,0,0,0,0|3,0,0]=4 2696 B13R1.513 Cc1ccc(cn1)SCCC(=O)N 62a_100000751577_100000744528 [0,1,0,0,0,0|3,0,0]=4 2697 B13R1.513 Cc1ccc(nc1)CNCC(=O)N 2230a_100000711301_100000691093 [0,1,0,0,0,0|3,0,0]=4 2698 B13R1.513 Cc1ccc(nc1)CNCC(=O)N 34a_100015187455_100000187820 [0,1,0,0,0,0|3,0,0]=4 2699 B13R1.513 Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000691093 [0,1,0,0,0,0|2,0,0]=3 2700 B13R1.513 Cc1ccc(nc1)CNCC(=O)[O-] 34a_100015187455_100020667443 [0,1,0,0,0,0|2,0,1]=4 2701 B13R1.513 Cc1ccc(nc1)COCC(=O)N 34a_100012001401_100000187820 [0,1,0,0,0,0|3,0,0]=4 2702 B13R1.513 Cc1ccc(nc1)COCC(=O)[O-] 34a_100012001401_100020667443 [0,1,0,0,0,0|2,0,1]=4 2703 B13R1.513 Cc1ccc(nc1)CSCC(=O)N 62a_100000691093_100000747473 [0,1,0,0,0,0|3,0,0]=4 2704 B13R1.513 Cc1ccc(nc1)CSCC(=O)N 62a_100000747473_100000691093 [0,1,0,0,0,0|3,0,0]=4 2705 B13R1.513 Cc1ccc(nc1)CSCC(=O)[O-] 62a_100000691093_100020667443 [0,1,0,0,0,0|2,0,1]=4 2706 B13R1.513 Cc1ccc(nc1)CSCC(=O)[O-] 62a_100020667443_100000691093 [0,1,0,0,0,0|2,0,1]=4 2707 B13R1.513 Cc1ccc(nc1)OCCC(=O)N 34a_100000759353_100000731001 [0,1,0,0,0,0|3,0,0]=4 2708 B13R1.513 Cc1ccc(nc1)SCCC(=O)N 62a_100000744528_100000754016 [0,1,0,0,0,0|3,0,0]=4 2709 B13R1.513 Cc1ccc(nc1)SCCC(=O)N 62a_100011192072_100000744528 [0,1,0,0,0,0|3,0,0]=4 2710 B13R1.513 Cc1cnc(nc1)CNCC(=O)O 269956a_100016091260_100000685645 [0,1,0,0,0,0|3,0,0]=4 2711 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [0,1,0,0,0,0|2,0,0]=3 2712 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [0,1,0,0,0,0|2,0,0]=3 2713 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [0,1,0,0,0,0|2,0,0]=3 2714 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [0,1,0,0,0,0|2,0,0]=3 2715 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [0,1,0,0,0,0|2,0,0]=3 2716 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [0,1,0,0,0,0|2,0,0]=3 2717 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [0,1,0,0,0,0|2,0,0]=3 2718 B13R1.513 NC(=O)CCNc1ccc(cn1)Br 27a_100000740010_100000686858 [0,1,0,0,0,0|3,0,0]=4 2719 B13R1.513 NC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000731001 [0,1,0,0,0,0|3,0,0]=4 2720 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,1,0,0,0,0|2,0,0]=3 2721 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,1,0,0,0,0|2,0,0]=3 2722 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,1,0,0,0,0|2,0,0]=3 2723 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,1,0,0,0,0|2,0,0]=3 2724 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,1,0,0,0,0|2,0,0]=3 2725 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,1,0,0,0,0|2,0,0]=3 2726 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,1,0,0,0,0|2,0,0]=3 2727 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,1,0,0,0,0|2,0,0]=3 2728 B13R1.513 NC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100000731001 [0,1,0,0,0,0|3,0,0]=4 2729 B13R1.513 NC(=O)CCOc1ccc(cn1)F 34a_100000742473_100000731001 [0,1,0,0,0,0|3,0,0]=4 2730 B13R1.513 NC(=O)CCOc1ccc(cn1)N 34a_100000729260_100000731001 [0,1,0,0,0,0|3,0,0]=4 2731 B13R1.513 NC(=O)CCOc1ccc(nc1)Br 34a_100000685995_100000731001 [0,1,0,0,0,0|3,0,0]=4 2732 B13R1.513 NC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000744528 [0,1,0,0,0,0|3,0,0]=4 2733 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100000731001 [0,1,0,0,0,0|3,0,0]=4 2734 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000744528 [0,1,0,0,0,0|3,0,0]=4 2735 B13R1.513 NC(=O)CCOc1ccc(nc1)F 34a_100000688820_100000731001 [0,1,0,0,0,0|3,0,0]=4 2736 B13R1.513 NC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000744528 [0,1,0,0,0,0|3,0,0]=4 2737 B13R1.513 NC(=O)CCOc1ccc(nc1)I 34a_100000687607_100000731001 [0,1,0,0,0,0|3,0,0]=4 2738 B13R1.513 NC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000744528 [0,1,0,0,0,0|3,0,0]=4 2739 B13R1.513 NC(=O)CCOc1ccc(nc1)N 34a_100015188713_100000731001 [0,1,0,0,0,0|3,0,0]=4 2740 B13R1.513 NC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000744528 [0,1,0,0,0,0|3,0,0]=4 2741 B13R1.513 NC(=O)CCSc1cc[n+](cc1)[O-] 62a_100000744528_100000039755 [0,1,0,0,0,0|3,0,0]=4 2742 B13R1.513 NC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000744528 [0,1,0,0,0,0|3,0,0]=4 2743 B13R1.513 NC(=O)CCSc1ccc(=O)[nH]c1 62a_100000744528_100000212171 [0,1,0,0,0,0|3,0,0]=4 2744 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [0,1,0,0,0,0|2,0,0]=3 2745 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [0,1,0,0,0,0|2,0,0]=3 2746 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [0,1,0,0,0,0|2,0,0]=3 2747 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [0,1,0,0,0,0|2,0,0]=3 2748 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [0,1,0,0,0,0|2,0,0]=3 2749 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [0,1,0,0,0,0|2,0,0]=3 2750 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [0,1,0,0,0,0|2,0,0]=3 2751 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [0,1,0,0,0,0|2,0,0]=3 2752 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [0,1,0,0,0,0|2,0,0]=3 2753 B13R1.513 NC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000744528 [0,1,0,0,0,0|3,0,0]=4 2754 B13R1.513 NC(=O)CCSc1ccc(cn1)Br 62a_100000744528_100000686858 [0,1,0,0,0,0|3,0,0]=4 2755 B13R1.513 NC(=O)CCSc1ccc(cn1)Cl 62a_100000744528_100011356976 [0,1,0,0,0,0|3,0,0]=4 2756 B13R1.513 NC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000744528 [0,1,0,0,0,0|3,0,0]=4 2757 B13R1.513 NC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000744528 [0,1,0,0,0,0|3,0,0]=4 2758 B13R1.513 NC(=O)CCSc1ccc(cn1)F 62a_100000744528_100000744514 [0,1,0,0,0,0|3,0,0]=4 2759 B13R1.513 NC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000744528 [0,1,0,0,0,0|3,0,0]=4 2760 B13R1.513 NC(=O)CCSc1ccc(cn1)N 62a_100000744528_100000737798 [0,1,0,0,0,0|3,0,0]=4 2761 B13R1.513 NC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000744528 [0,1,0,0,0,0|3,0,0]=4 2762 B13R1.513 NC(=O)CCSc1ccc(cn1)O 62a_100000744528_100000744096 [0,1,0,0,0,0|3,0,0]=4 2763 B13R1.513 NC(=O)CCSc1ccc(nc1)Br 62a_100000744528_100009814638 [0,1,0,0,0,0|3,0,0]=4 2764 B13R1.513 NC(=O)CCSc1ccc(nc1)Br 62a_100009814638_100000744528 [0,1,0,0,0,0|3,0,0]=4 2765 B13R1.513 NC(=O)CCSc1ccc(nc1)Cl 62a_100000034144_100000744528 [0,1,0,0,0,0|3,0,0]=4 2766 B13R1.513 NC(=O)CCSc1ccc(nc1)Cl 62a_100000744528_100000034144 [0,1,0,0,0,0|3,0,0]=4 2767 B13R1.513 NC(=O)CCSc1ccc(nc1)F 62a_100000042367_100000744528 [0,1,0,0,0,0|3,0,0]=4 2768 B13R1.513 NC(=O)CCSc1ccc(nc1)F 62a_100000744528_100000042367 [0,1,0,0,0,0|3,0,0]=4 2769 B13R1.513 NC(=O)CCSc1ccc(nc1)N 62a_100000187370_100000744528 [0,1,0,0,0,0|3,0,0]=4 2770 B13R1.513 NC(=O)CCSc1ccc(nc1)N 62a_100000744528_100000187370 [0,1,0,0,0,0|3,0,0]=4 2771 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [0,1,0,0,0,0|2,0,0]=3 2772 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [0,1,0,0,0,0|2,0,0]=3 2773 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [0,1,0,0,0,0|2,0,0]=3 2774 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [0,1,0,0,0,0|2,0,0]=3 2775 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [0,1,0,0,0,0|2,0,0]=3 2776 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [0,1,0,0,0,0|2,0,0]=3 2777 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [0,1,0,0,0,0|2,0,0]=3 2778 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [0,1,0,0,0,0|2,0,0]=3 2779 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [0,1,0,0,0,0|2,0,0]=3 2780 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [0,1,0,0,0,0|2,0,0]=3 2781 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [0,1,0,0,0,0|2,0,0]=3 2782 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [0,1,0,0,0,0|2,0,0]=3 2783 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [0,1,0,0,0,0|2,0,0]=3 2784 B13R1.513 NC(=O)CNCc1ccc(cn1)Br 2230a_100000711301_100000702658 [0,1,0,0,0,0|3,0,0]=4 2785 B13R1.513 NC(=O)CNCc1ccc(cn1)Br 34a_100015188789_100000187820 [0,1,0,0,0,0|3,0,0]=4 2786 B13R1.513 NC(=O)CNCc1ccc(cn1)Cl 2230a_100000711301_100012066911 [0,1,0,0,0,0|3,0,0]=4 2787 B13R1.513 NC(=O)CNCc1ccc(cn1)Cl 34a_100000697193_100000187820 [0,1,0,0,0,0|3,0,0]=4 2788 B13R1.513 NC(=O)CNCc1ccc(cn1)F 2230a_100000711301_100000703193 [0,1,0,0,0,0|3,0,0]=4 2789 B13R1.513 NC(=O)CNCc1ccc(cn1)F 34a_100020620131_100000187820 [0,1,0,0,0,0|3,0,0]=4 2790 B13R1.513 NC(=O)CNCc1ccc(nc1)Br 2230a_100000711301_100009831999 [0,1,0,0,0,0|3,0,0]=4 2791 B13R1.513 NC(=O)CNCc1ccc(nc1)Br 2230a_100009817727_100000747473 [0,1,0,0,0,0|3,0,0]=4 2792 B13R1.513 NC(=O)CNCc1ccc(nc1)Br 34a_100009817727_100000187820 [0,1,0,0,0,0|3,0,0]=4 2793 B13R1.513 NC(=O)CNCc1ccc(nc1)Cl 2230a_100000711301_100000735431 [0,1,0,0,0,0|3,0,0]=4 2794 B13R1.513 NC(=O)CNCc1ccc(nc1)Cl 2230a_100000735879_100000747473 [0,1,0,0,0,0|3,0,0]=4 2795 B13R1.513 NC(=O)CNCc1ccc(nc1)Cl 34a_100000735879_100000187820 [0,1,0,0,0,0|3,0,0]=4 2796 B13R1.513 NC(=O)CNCc1ccc(nc1)F 2230a_100000101913_100000747473 [0,1,0,0,0,0|3,0,0]=4 2797 B13R1.513 NC(=O)CNCc1ccc(nc1)F 2230a_100000711301_100009820150 [0,1,0,0,0,0|3,0,0]=4 2798 B13R1.513 NC(=O)CNCc1ccc(nc1)F 34a_100000101913_100000187820 [0,1,0,0,0,0|3,0,0]=4 2799 B13R1.513 NC(=O)CNCc1ccc(nc1)O 2230a_100000757128_100000747473 [0,1,0,0,0,0|3,0,0]=4 2800 B13R1.513 NC(=O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000187820 [0,1,0,0,0,0|3,0,0]=4 2801 B13R1.513 NC(=O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000187820 [0,1,0,0,0,0|3,0,0]=4 2802 B13R1.513 NC(=O)COCc1ccc(=O)[nH]c1 34a_100011999846_100000187820 [0,1,0,0,0,0|3,0,0]=4 2803 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,1,0,0,0,0|2,0,0]=3 2804 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,1,0,0,0,0|2,0,0]=3 2805 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,1,0,0,0,0|2,0,0]=3 2806 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [0,1,0,0,0,0|2,0,0]=3 2807 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [0,1,0,0,0,0|2,0,0]=3 2808 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [0,1,0,0,0,0|2,0,0]=3 2809 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [0,1,0,0,0,0|2,0,0]=3 2810 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [0,1,0,0,0,0|2,0,0]=3 2811 B13R1.513 NC(=O)COCc1ccc(cn1)Br 34a_100000754261_100000187820 [0,1,0,0,0,0|3,0,0]=4 2812 B13R1.513 NC(=O)COCc1ccc(cn1)Cl 34a_100000703999_100000187820 [0,1,0,0,0,0|3,0,0]=4 2813 B13R1.513 NC(=O)COCc1ccc(cn1)F 34a_100011999454_100000187820 [0,1,0,0,0,0|3,0,0]=4 2814 B13R1.513 NC(=O)COCc1ccc(cn1)N 34a_100011998161_100000187820 [0,1,0,0,0,0|3,0,0]=4 2815 B13R1.513 NC(=O)COCc1ccc(nc1)Br 34a_100009816760_100000187820 [0,1,0,0,0,0|3,0,0]=4 2816 B13R1.513 NC(=O)COCc1ccc(nc1)Br 7a_100009816760_100000187820 [0,1,0,0,0,0|3,0,0]=4 2817 B13R1.513 NC(=O)COCc1ccc(nc1)Cl 34a_100000755211_100000187820 [0,1,0,0,0,0|3,0,0]=4 2818 B13R1.513 NC(=O)COCc1ccc(nc1)Cl 7a_100000755211_100000187820 [0,1,0,0,0,0|3,0,0]=4 2819 B13R1.513 NC(=O)COCc1ccc(nc1)F 34a_100000079959_100000187820 [0,1,0,0,0,0|3,0,0]=4 2820 B13R1.513 NC(=O)COCc1ccc(nc1)N 34a_100000704267_100000187820 [0,1,0,0,0,0|3,0,0]=4 2821 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,1,0,0,0,0|2,0,0]=3 2822 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,1,0,0,0,0|2,0,0]=3 2823 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [0,1,0,0,0,0|2,0,0]=3 2824 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [0,1,0,0,0,0|2,0,0]=3 2825 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [0,1,0,0,0,0|2,0,0]=3 2826 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [0,1,0,0,0,0|2,0,0]=3 2827 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [0,1,0,0,0,0|2,0,0]=3 2828 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [0,1,0,0,0,0|2,0,0]=3 2829 B13R1.513 NC(=O)CSCc1ccc(cn1)Br 62a_100000702658_100000747473 [0,1,0,0,0,0|3,0,0]=4 2830 B13R1.513 NC(=O)CSCc1ccc(cn1)Br 62a_100000747473_100000702658 [0,1,0,0,0,0|3,0,0]=4 2831 B13R1.513 NC(=O)CSCc1ccc(cn1)Cl 62a_100000747473_100000697101 [0,1,0,0,0,0|3,0,0]=4 2832 B13R1.513 NC(=O)CSCc1ccc(cn1)Cl 62a_100012066911_100000747473 [0,1,0,0,0,0|3,0,0]=4 2833 B13R1.513 NC(=O)CSCc1ccc(cn1)F 62a_100000703193_100000747473 [0,1,0,0,0,0|3,0,0]=4 2834 B13R1.513 NC(=O)CSCc1ccc(cn1)F 62a_100000747473_100000703193 [0,1,0,0,0,0|3,0,0]=4 2835 B13R1.513 NC(=O)CSCc1ccc(nc1)Br 62a_100000747473_100009831999 [0,1,0,0,0,0|3,0,0]=4 2836 B13R1.513 NC(=O)CSCc1ccc(nc1)Br 62a_100009831999_100000747473 [0,1,0,0,0,0|3,0,0]=4 2837 B13R1.513 NC(=O)CSCc1ccc(nc1)Cl 62a_100000735431_100000747473 [0,1,0,0,0,0|3,0,0]=4 2838 B13R1.513 NC(=O)CSCc1ccc(nc1)Cl 62a_100000747473_100000735431 [0,1,0,0,0,0|3,0,0]=4 2839 B13R1.513 NC(=O)CSCc1ccc(nc1)F 62a_100000747473_100000099788 [0,1,0,0,0,0|3,0,0]=4 2840 B13R1.513 NC(=O)CSCc1ccc(nc1)F 62a_100009820150_100000747473 [0,1,0,0,0,0|3,0,0]=4 2841 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [0,1,0,0,0,0|1,0,1]=3 2842 B13R1.513 Nc1ccc(cc1)COC[N+](=O)[O-] 34a_100011215238_100000761209 [0,1,0,0,0,0|2,0,1]=4 2843 B13R1.513 Nc1ccc(cn1)COCC(=O)[O-] 34a_100000704267_100020667443 [0,1,0,0,0,0|2,0,1]=4 2844 B13R1.513 Nc1ccc(nc1)COCC(=O)[O-] 34a_100011998161_100020667443 [0,1,0,0,0,0|2,0,1]=4 2845 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,0|1,0,0]=2 2846 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,0|1,0,0]=2 2847 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,0|1,0,0]=2 2848 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,0|1,0,0]=2 2849 B13R1.513 O=C(O)CNCc1ccc(cn1)Br 269956a_100016091260_100000702658 [0,1,0,0,0,0|2,0,0]=3 2850 B13R1.513 O=C(O)CNCc1ccc(cn1)Cl 269956a_100016091260_100012066911 [0,1,0,0,0,0|2,0,0]=3 2851 B13R1.513 O=C(O)CNCc1ccc(cn1)F 269956a_100016091260_100000703193 [0,1,0,0,0,0|2,0,0]=3 2852 B13R1.513 O=C(O)CNCc1ccc(nc1)Br 269956a_100016091260_100009831999 [0,1,0,0,0,0|2,0,0]=3 2853 B13R1.513 O=C(O)CNCc1ccc(nc1)Cl 269956a_100016091260_100000735431 [0,1,0,0,0,0|2,0,0]=3 2854 B13R1.513 O=C(O)CNCc1ccc(nc1)F 269956a_100016091260_100009820150 [0,1,0,0,0,0|2,0,0]=3 2855 B13R1.513 O=C(O)CNCc1ccc(nn1)Cl 269956a_100016091260_100016992710 [0,1,0,0,0,0|3,0,0]=4 2856 B13R1.513 O=C(O)CNCc1ncc(cn1)Br 269956a_100016091260_100010064664 [0,1,0,0,0,0|3,0,0]=4 2857 B13R1.513 O=C([O-])CNCc1ccc(cc1)Br 34a_100000174875_100020667443 [0,1,0,0,0,0|1,0,1]=3 2858 B13R1.513 O=C([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100020667443 [0,1,0,0,0,0|1,0,1]=3 2859 B13R1.513 O=C([O-])CNCc1ccc(cc1)F 34a_100000174882_100020667443 [0,1,0,0,0,0|1,0,1]=3 2860 B13R1.513 O=C([O-])CNCc1ccc(cc1)I 34a_100016989417_100020667443 [0,1,0,0,0,0|1,0,1]=3 2861 B13R1.513 O=C([O-])CNCc1ccc(cc1)O 34a_100000185549_100020667443 [0,1,0,0,0,0|1,0,1]=3 2862 B13R1.513 O=C([O-])CNCc1ccc(cn1)Br 34a_100015188789_100020667443 [0,1,0,0,0,0|2,0,1]=4 2863 B13R1.513 O=C([O-])CNCc1ccc(cn1)Cl 34a_100000697193_100020667443 [0,1,0,0,0,0|2,0,1]=4 2864 B13R1.513 O=C([O-])CNCc1ccc(cn1)F 34a_100020620131_100020667443 [0,1,0,0,0,0|2,0,1]=4 2865 B13R1.513 O=C([O-])CNCc1ccc(nc1)Br 34a_100009817727_100020667443 [0,1,0,0,0,0|2,0,1]=4 2866 B13R1.513 O=C([O-])CNCc1ccc(nc1)Cl 34a_100000735879_100020667443 [0,1,0,0,0,0|2,0,1]=4 2867 B13R1.513 O=C([O-])CNCc1ccc(nc1)F 34a_100000101913_100020667443 [0,1,0,0,0,0|2,0,1]=4 2868 B13R1.513 O=C([O-])COCc1cc[n+](cc1)[O-] 34a_100000031831_100020667443 [0,1,0,0,0,0|2,0,1]=4 2869 B13R1.513 O=C([O-])COCc1ccc(=O)[nH]c1 34a_100011999846_100020667443 [0,1,0,0,0,0|2,0,1]=4 2870 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [0,1,0,0,0,0|1,0,1]=3 2871 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,1,0,0,0,0|1,0,1]=3 2872 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [0,1,0,0,0,0|1,0,1]=3 2873 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [0,1,0,0,0,0|1,0,1]=3 2874 B13R1.513 O=C([O-])COCc1ccc(cn1)Br 34a_100000754261_100020667443 [0,1,0,0,0,0|2,0,1]=4 2875 B13R1.513 O=C([O-])COCc1ccc(cn1)Cl 34a_100000703999_100020667443 [0,1,0,0,0,0|2,0,1]=4 2876 B13R1.513 O=C([O-])COCc1ccc(cn1)F 34a_100011999454_100020667443 [0,1,0,0,0,0|2,0,1]=4 2877 B13R1.513 O=C([O-])COCc1ccc(nc1)Br 34a_100009816760_100020667443 [0,1,0,0,0,0|2,0,1]=4 2878 B13R1.513 O=C([O-])COCc1ccc(nc1)Cl 34a_100000755211_100020667443 [0,1,0,0,0,0|2,0,1]=4 2879 B13R1.513 O=C([O-])COCc1ccc(nc1)F 34a_100000079959_100020667443 [0,1,0,0,0,0|2,0,1]=4 2880 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100000189115_100020667443 [0,1,0,0,0,0|1,0,1]=3 2881 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100020667443_100000189115 [0,1,0,0,0,0|1,0,1]=3 2882 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100020667443 [0,1,0,0,0,0|1,0,1]=3 2883 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100020667443_100000187161 [0,1,0,0,0,0|1,0,1]=3 2884 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100000198546_100020667443 [0,1,0,0,0,0|1,0,1]=3 2885 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100020667443_100000187164 [0,1,0,0,0,0|1,0,1]=3 2886 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100000189116_100020667443 [0,1,0,0,0,0|1,0,1]=3 2887 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100020667443_100000189116 [0,1,0,0,0,0|1,0,1]=3 2888 B13R1.513 O=C([O-])CSCc1ccc(cn1)Br 62a_100000702658_100020667443 [0,1,0,0,0,0|2,0,1]=4 2889 B13R1.513 O=C([O-])CSCc1ccc(cn1)Br 62a_100020667443_100000702658 [0,1,0,0,0,0|2,0,1]=4 2890 B13R1.513 O=C([O-])CSCc1ccc(cn1)Cl 62a_100012066911_100020667443 [0,1,0,0,0,0|2,0,1]=4 2891 B13R1.513 O=C([O-])CSCc1ccc(cn1)Cl 62a_100020667443_100000697101 [0,1,0,0,0,0|2,0,1]=4 2892 B13R1.513 O=C([O-])CSCc1ccc(cn1)F 62a_100000703193_100020667443 [0,1,0,0,0,0|2,0,1]=4 2893 B13R1.513 O=C([O-])CSCc1ccc(cn1)F 62a_100020667443_100000703193 [0,1,0,0,0,0|2,0,1]=4 2894 B13R1.513 O=C([O-])CSCc1ccc(nc1)Br 62a_100009831999_100020667443 [0,1,0,0,0,0|2,0,1]=4 2895 B13R1.513 O=C([O-])CSCc1ccc(nc1)Br 62a_100020667443_100009831999 [0,1,0,0,0,0|2,0,1]=4 2896 B13R1.513 O=C([O-])CSCc1ccc(nc1)Cl 62a_100000735431_100020667443 [0,1,0,0,0,0|2,0,1]=4 2897 B13R1.513 O=C([O-])CSCc1ccc(nc1)Cl 62a_100020667443_100000735431 [0,1,0,0,0,0|2,0,1]=4 2898 B13R1.513 O=C([O-])CSCc1ccc(nc1)F 62a_100009820150_100020667443 [0,1,0,0,0,0|2,0,1]=4 2899 B13R1.513 O=C([O-])CSCc1ccc(nc1)F 62a_100020667443_100000099788 [0,1,0,0,0,0|2,0,1]=4 2900 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)Br 34a_100000174875_100000761209 [0,1,0,0,0,0|2,0,1]=4 2901 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100000761209 [0,1,0,0,0,0|2,0,1]=4 2902 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)F 34a_100000174882_100000761209 [0,1,0,0,0,0|2,0,1]=4 2903 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)I 34a_100016989417_100000761209 [0,1,0,0,0,0|2,0,1]=4 2904 B13R1.513 O=[N+]([O-])CNCc1ccc(cc1)O 34a_100000185549_100000761209 [0,1,0,0,0,0|2,0,1]=4 2905 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Br 34a_100000695286_100000761209 [0,1,0,0,0,0|2,0,1]=4 2906 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Cl 34a_100000211118_100000761209 [0,1,0,0,0,0|2,0,1]=4 2907 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)F 34a_100000210977_100000761209 [0,1,0,0,0,0|2,0,1]=4 2908 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)I 34a_100000690907_100000761209 [0,1,0,0,0,0|2,0,1]=4 2909 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)Br 62a_100000189115_100000761209 [0,1,0,0,0,0|2,0,1]=4 2910 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100000761209 [0,1,0,0,0,0|2,0,1]=4 2911 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)F 62a_100000198546_100000761209 [0,1,0,0,0,0|2,0,1]=4 2912 B13R1.513 O=[N+]([O-])CSCc1ccc(cc1)I 62a_100000189116_100000761209 [0,1,0,0,0,0|2,0,1]=4 2913 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,1,0,0,0,0|1,0,0]=2 2914 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,1,0,0,0,0|1,0,0]=2 2915 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,1,0,0,0,0|1,0,0]=2 2916 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,1,0,0,0,0|1,0,0]=2 2917 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,1,0,0,0,0|1,0,0]=2 2918 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,1,0,0,0,0|2,0,0]=3 2919 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,1,0,0,0,0|2,0,0]=3 2920 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,1,0,0,0,0|2,0,0]=3 2921 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200025704644 [0,1,0,0,0,0|2,0,0]=3 2922 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [0,1,0,0,0,0|2,0,0]=3 2923 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)F 1458a_100000199091_200025704644 [0,1,0,0,0,0|2,0,0]=3 2924 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,1,0,0,0,0|2,0,0]=3 2925 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [0,1,0,0,0,0|2,0,0]=3 2926 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [0,1,0,0,0,0|2,0,0]=3 2927 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [0,1,0,0,0,0|2,0,0]=3 2928 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,1,0,0,0,0|1,0,2]=4 2929 B13R1.718 C#CC(=O)CC#Cc1ccccc1 1458a_100000211873_100011352542 [0,1,0,0,0,0|1,0,2]=4 2930 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,1,0,0,0,0|1,0,0]=2 2931 B13R1.718 C#CC(=O)CCOc1ccccc1 1458a_100000211873_100000184471 [0,1,0,0,0,0|2,0,0]=3 2932 B13R1.718 C#CC(=O)CCSc1ccccc1 1458a_100000211873_100000246102 [0,1,0,0,0,0|2,0,0]=3 2933 B13R1.718 C#CC(=O)CSCc1ccccc1 1458a_100000211873_200011217039 [0,1,0,0,0,0|2,0,0]=3 2934 B13R1.718 C=C(C#N)CNCc1ccccc1 2230a_100015324214_100000694840 [0,1,0,0,0,0|3,0,0]=4 2935 B13R1.718 C=C(C#N)CNCc1ccccc1 34a_100015324214_100000694840 [0,1,0,0,0,0|3,0,0]=4 2936 B13R1.718 C=C(C#N)COCc1ccccc1 34a_100000210790_100000694840 [0,1,0,0,0,0|3,0,0]=4 2937 B13R1.718 C=C(C#N)CSCc1ccccc1 62a_100000211182_100000694840 [0,1,0,0,0,0|3,0,0]=4 2938 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,1,0,0,0,0|1,0,2]=4 2939 B13R1.718 C=CC(=O)CC#Cc1ccccc1 1458a_100000185746_100011352542 [0,1,0,0,0,0|1,0,2]=4 2940 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,1,0,0,0,0|1,0,0]=2 2941 B13R1.718 C=CC(=O)CCOc1ccccc1 1458a_100000185746_100000184471 [0,1,0,0,0,0|2,0,0]=3 2942 B13R1.718 C=CC(=O)CCSc1ccccc1 1458a_100000185746_100000246102 [0,1,0,0,0,0|2,0,0]=3 2943 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,1,0,0,0,0|2,0,0]=3 2944 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,1,0,0,0,0|2,0,0]=3 2945 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,1,0,0,0,0|2,0,0]=3 2946 B13R1.718 C=CC(=O)NCCc1ccccn1 1626a_100000211156_100000185746 [0,1,0,0,0,0|3,0,0]=4 2947 B13R1.718 C=CC(=O)NCCc1ccccn1 240690a_100000211156_200121576911 [0,1,0,0,0,0|3,0,0]=4 2948 B13R1.718 C=CC(=O)NCCc1cccnc1 1626a_100000736294_100000185746 [0,1,0,0,0,0|3,0,0]=4 2949 B13R1.718 C=CC(=O)NCCc1cccnc1 240690a_100000736294_200121576911 [0,1,0,0,0,0|3,0,0]=4 2950 B13R1.718 C=CC(=O)NCCc1ccncc1 1626a_100000742849_100000185746 [0,1,0,0,0,0|3,0,0]=4 2951 B13R1.718 C=CC(=O)NCCc1ccncc1 240690a_100000742849_200121576911 [0,1,0,0,0,0|3,0,0]=4 2952 B13R1.718 C=CC(=O)NNCc1ccccc1 22a_100000007032_100000185746 [0,1,0,0,0,0|3,0,0]=4 2953 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,1,0,0,0,0|2,0,1]=4 2954 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,1,0,0,0,0|2,0,1]=4 2955 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,1,0,0,0,0|2,0,1]=4 2956 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,1,0,0,0,0|2,0,1]=4 2957 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,1,0,0,0,0|2,0,1]=4 2958 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,1,0,0,0,0|2,0,1]=4 2959 B13R1.718 CC(=NNCc1ccccc1)CO 4a_100000007032_100000211253 [0,1,0,0,0,0|3,0,0]=4 2960 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,1,0,0,0,0|1,1,1]=4 2961 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,1,0,0,0,0|1,1,1]=4 2962 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,1,0,0,0,0|2,0,1]=4 2963 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,1,0,0,0,0|2,0,1]=4 2964 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,1,0,0,0,0|2,0,1]=4 2965 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,1,0,0,0,0|2,0,1]=4 2966 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,1,0,0,0,0|2,0,1]=4 2967 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,1,0,0,0,0|2,0,1]=4 2968 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,1,0,0,0,0|2,0,1]=4 2969 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,1,0,0,0,0|2,0,1]=4 2970 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,1,0,0,0,0|2,0,1]=4 2971 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,1,0,0,0,0|1,0,2]=4 2972 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,1,0,0,0,0|1,0,2]=4 2973 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,1,0,0,0,0|1,0,2]=4 2974 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,0|1,0,0]=2 2975 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,0|1,0,0]=2 2976 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,0,0,0|2,0,0]=3 2977 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,1,0,0,0,0|2,0,0]=3 2978 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,1,0,0,0,0|2,0,0]=3 2979 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,1,0,0,0,0|2,0,0]=3 2980 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,1,0,0,0,0|2,0,0]=3 2981 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,1,0,0,0,0|2,0,0]=3 2982 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,0,0,0,0|2,0,0]=3 2983 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,0,0,0,0|2,0,0]=3 2984 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,0,0,0,0|2,0,0]=3 2985 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [0,1,0,0,0,0|3,0,0]=4 2986 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [0,1,0,0,0,0|3,0,0]=4 2987 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,1,0,0,0,0|2,0,0]=3 2988 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,1,0,0,0,0|2,0,0]=3 2989 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,1,0,0,0,0|2,0,0]=3 2990 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,1,0,0,0,0|2,0,0]=3 2991 B13R1.718 CCC(=O)CSCc1ccccn1 1458a_100000742634_100000210202 [0,1,0,0,0,0|3,0,0]=4 2992 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000721315_100000747405 [0,1,0,0,0,0|3,0,0]=4 2993 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000747405_100000721315 [0,1,0,0,0,0|3,0,0]=4 2994 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000741622_100000747405 [0,1,0,0,0,0|3,0,0]=4 2995 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000747405_100000741622 [0,1,0,0,0,0|3,0,0]=4 2996 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100000747405_100015193705 [0,1,0,0,0,0|3,0,0]=4 2997 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100015193705_100000747405 [0,1,0,0,0,0|3,0,0]=4 2998 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,1,0,0,0,0|2,0,0]=3 2999 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,1,0,0,0,0|2,0,0]=3 3000 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,1,0,0,0,0|2,0,0]=3 3001 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,1,0,0,0,0|2,0,0]=3 3002 B13R1.718 CCC(=O)NCCc1ccccn1 11a_100000211156_100000210414 [0,1,0,0,0,0|3,0,0]=4 3003 B13R1.718 CCC(=O)NCCc1ccccn1 1626a_100000211156_100000210414 [0,1,0,0,0,0|3,0,0]=4 3004 B13R1.718 CCC(=O)NCCc1ccccn1 240690a_100000211156_100000210414 [0,1,0,0,0,0|3,0,0]=4 3005 B13R1.718 CCC(=O)NCCc1ccccn1 527a_100000211156_100000210414 [0,1,0,0,0,0|3,0,0]=4 3006 B13R1.718 CCC(=O)NCCc1cccnc1 11a_100000736294_100000210414 [0,1,0,0,0,0|3,0,0]=4 3007 B13R1.718 CCC(=O)NCCc1cccnc1 1626a_100000736294_100000210414 [0,1,0,0,0,0|3,0,0]=4 3008 B13R1.718 CCC(=O)NCCc1cccnc1 240690a_100000736294_100000210414 [0,1,0,0,0,0|3,0,0]=4 3009 B13R1.718 CCC(=O)NCCc1cccnc1 527a_100000736294_100000210414 [0,1,0,0,0,0|3,0,0]=4 3010 B13R1.718 CCC(=O)NCCc1ccncc1 11a_100000742849_100000210414 [0,1,0,0,0,0|3,0,0]=4 3011 B13R1.718 CCC(=O)NCCc1ccncc1 1626a_100000742849_100000210414 [0,1,0,0,0,0|3,0,0]=4 3012 B13R1.718 CCC(=O)NCCc1ccncc1 240690a_100000742849_100000210414 [0,1,0,0,0,0|3,0,0]=4 3013 B13R1.718 CCC(=O)NCCc1ccncc1 527a_100000742849_100000210414 [0,1,0,0,0,0|3,0,0]=4 3014 B13R1.718 CCC(=O)NNCc1ccccc1 22a_100000007032_100000210414 [0,1,0,0,0,0|3,0,0]=4 3015 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,1,0,0,0,0|2,0,1]=4 3016 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,1,0,0,0,0|2,0,1]=4 3017 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,1,0,0,0,0|2,0,1]=4 3018 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,1,0,0,0,0|2,0,1]=4 3019 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,1,0,0,0,0|2,0,1]=4 3020 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,0,0,0,0|2,0,1]=4 3021 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,0,0,0,0|2,0,1]=4 3022 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,1,0,0,0,0|2,0,1]=4 3023 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,1,0,0,0,0|2,0,1]=4 3024 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,1,0,0,0,0|3,0,0]=4 3025 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,1,0,0,0,0|3,0,0]=4 3026 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,1,0,0,0,0|3,0,0]=4 3027 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,1,0,0,0,0|3,0,0]=4 3028 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,1,0,0,0,0|3,0,0]=4 3029 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,1,0,0,0,0|1,0,2]=4 3030 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,1,0,0,0,0|1,0,2]=4 3031 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,1,0,0,0,0|1,0,2]=4 3032 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,0|1,0,0]=2 3033 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,0|1,0,0]=2 3034 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,0|1,0,0]=2 3035 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,0|1,0,0]=2 3036 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,1,0,0,0,0|2,0,0]=3 3037 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,1,0,0,0,0|2,0,0]=3 3038 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,1,0,0,0,0|2,0,0]=3 3039 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,1,0,0,0,0|2,0,0]=3 3040 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [0,1,0,0,0,0|2,0,0]=3 3041 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [0,1,0,0,0,0|2,0,0]=3 3042 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [0,1,0,0,0,0|2,0,0]=3 3043 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [0,1,0,0,0,0|2,0,0]=3 3044 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,1,0,0,0,0|2,0,0]=3 3045 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,1,0,0,0,0|2,0,0]=3 3046 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,1,0,0,0,0|2,0,0]=3 3047 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,1,0,0,0,0|2,0,0]=3 3048 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,1,0,0,0,0|2,0,0]=3 3049 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,1,0,0,0,0|2,0,0]=3 3050 B13R1.718 CNC(=O)CCOc1cccnc1 34a_100000210849_100012179268 [0,1,0,0,0,0|3,0,0]=4 3051 B13R1.718 CNC(=O)CCOc1cccnc1 7a_100000210849_100000737683 [0,1,0,0,0,0|3,0,0]=4 3052 B13R1.718 CNC(=O)CCOc1ccncc1 34a_100000212176_100012179268 [0,1,0,0,0,0|3,0,0]=4 3053 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,1,0,0,0,0|2,0,0]=3 3054 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,1,0,0,0,0|2,0,0]=3 3055 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,1,0,0,0,0|2,0,0]=3 3056 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,1,0,0,0,0|2,0,0]=3 3057 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,1,0,0,0,0|2,0,0]=3 3058 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100000737683_100011216584 [0,1,0,0,0,0|3,0,0]=4 3059 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100011216584_100000737683 [0,1,0,0,0,0|3,0,0]=4 3060 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000210063_100000737683 [0,1,0,0,0,0|3,0,0]=4 3061 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000737683_100000210063 [0,1,0,0,0,0|3,0,0]=4 3062 B13R1.718 CNC(=O)CCSc1ccncc1 62a_100000728582_100000737683 [0,1,0,0,0,0|3,0,0]=4 3063 B13R1.718 CNC(=O)CCSc1ccncc1 62a_100000737683_100000728582 [0,1,0,0,0,0|3,0,0]=4 3064 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,1,0,0,0,0|2,0,0]=3 3065 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,1,0,0,0,0|2,0,0]=3 3066 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,1,0,0,0,0|2,0,0]=3 3067 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,1,0,0,0,0|2,0,0]=3 3068 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,1,0,0,0,0|2,0,0]=3 3069 B13R1.718 CNC(=O)CNCc1ccccn1 207a_100000693194_100000209966 [0,1,0,0,0,0|3,0,0]=4 3070 B13R1.718 CNC(=O)CNCc1ccccn1 2230a_100000693194_100000721315 [0,1,0,0,0,0|3,0,0]=4 3071 B13R1.718 CNC(=O)CNCc1ccccn1 270004a_100000693194_100000209966 [0,1,0,0,0,0|3,0,0]=4 3072 B13R1.718 CNC(=O)CNCc1cccnc1 207a_100000693194_100000209961 [0,1,0,0,0,0|3,0,0]=4 3073 B13R1.718 CNC(=O)CNCc1cccnc1 2230a_100000693194_100000741622 [0,1,0,0,0,0|3,0,0]=4 3074 B13R1.718 CNC(=O)CNCc1cccnc1 270004a_100000693194_100000209961 [0,1,0,0,0,0|3,0,0]=4 3075 B13R1.718 CNC(=O)CNCc1ccncc1 207a_100000693194_100000186114 [0,1,0,0,0,0|3,0,0]=4 3076 B13R1.718 CNC(=O)CNCc1ccncc1 2230a_100000693194_100015193705 [0,1,0,0,0,0|3,0,0]=4 3077 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,1,0,0,0,0|2,0,0]=3 3078 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,1,0,0,0,0|2,0,0]=3 3079 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,1,0,0,0,0|2,0,0]=3 3080 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,1,0,0,0,0|2,0,0]=3 3081 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,1,0,0,0,0|2,0,0]=3 3082 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,1,0,0,0,0|2,0,0]=3 3083 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,1,0,0,0,0|2,0,0]=3 3084 B13R1.718 CNC(=O)COCc1ccccn1 34a_100000750040_100000721315 [0,1,0,0,0,0|3,0,0]=4 3085 B13R1.718 CNC(=O)COCc1cccnc1 34a_100000750040_100000733263 [0,1,0,0,0,0|3,0,0]=4 3086 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,1,0,0,0,0|2,0,0]=3 3087 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,1,0,0,0,0|2,0,0]=3 3088 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,1,0,0,0,0|2,0,0]=3 3089 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,1,0,0,0,0|2,0,0]=3 3090 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,1,0,0,0,0|2,0,0]=3 3091 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,1,0,0,0,0|2,0,0]=3 3092 B13R1.718 CNC(=O)CSCc1ccccn1 11a_106832991635_100000742634 [0,1,0,0,0,0|3,0,0]=4 3093 B13R1.718 CNC(=O)CSCc1ccccn1 1626a_100102657272_100000742634 [0,1,0,0,0,0|3,0,0]=4 3094 B13R1.718 CNC(=O)CSCc1ccccn1 240690a_100102657272_100000742634 [0,1,0,0,0,0|3,0,0]=4 3095 B13R1.718 CNC(=O)CSCc1ccccn1 527a_100102657272_100000742634 [0,1,0,0,0,0|3,0,0]=4 3096 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000183359_100000721315 [0,1,0,0,0,0|3,0,0]=4 3097 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000721315_100000183359 [0,1,0,0,0,0|3,0,0]=4 3098 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000183359_100000741622 [0,1,0,0,0,0|3,0,0]=4 3099 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000741622_100000183359 [0,1,0,0,0,0|3,0,0]=4 3100 B13R1.718 CNC(=O)CSCc1ccncc1 1626a_100102657272_100000742635 [0,1,0,0,0,0|3,0,0]=4 3101 B13R1.718 CNC(=O)CSCc1ccncc1 240690a_100102657272_100000742635 [0,1,0,0,0,0|3,0,0]=4 3102 B13R1.718 CNC(=O)CSCc1ccncc1 527a_100102657272_100000742635 [0,1,0,0,0,0|3,0,0]=4 3103 B13R1.718 CNC(=O)CSCc1ccncc1 62a_100000183359_100015193705 [0,1,0,0,0,0|3,0,0]=4 3104 B13R1.718 CNC(=O)CSCc1ccncc1 62a_100015193705_100000183359 [0,1,0,0,0,0|3,0,0]=4 3105 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,0,0,0,0|2,0,0]=3 3106 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,0,0,0,0|2,0,0]=3 3107 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,0,0,0,0|2,0,0]=3 3108 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,0,0,0,0|2,0,0]=3 3109 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,0,0,0,0|2,0,0]=3 3110 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,0,0,0,0|2,0,0]=3 3111 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100000211156_106832991635 [0,1,0,0,0,0|3,0,0]=4 3112 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100102657272_100000211156 [0,1,0,0,0,0|3,0,0]=4 3113 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100000211156_100102657272 [0,1,0,0,0,0|3,0,0]=4 3114 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100102657272_100000211156 [0,1,0,0,0,0|3,0,0]=4 3115 B13R1.718 CNC(=O)NCCc1ccccn1 512a_106832991638_100000211156 [0,1,0,0,0,0|3,0,0]=4 3116 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100000736294_106832991635 [0,1,0,0,0,0|3,0,0]=4 3117 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100102657272_100000736294 [0,1,0,0,0,0|3,0,0]=4 3118 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100000736294_100102657272 [0,1,0,0,0,0|3,0,0]=4 3119 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100102657272_100000736294 [0,1,0,0,0,0|3,0,0]=4 3120 B13R1.718 CNC(=O)NCCc1cccnc1 512a_100000736294_100102657272 [0,1,0,0,0,0|3,0,0]=4 3121 B13R1.718 CNC(=O)NCCc1cccnc1 512a_106832991638_100000736294 [0,1,0,0,0,0|3,0,0]=4 3122 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100000742849_106832991635 [0,1,0,0,0,0|3,0,0]=4 3123 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100102657272_100000742849 [0,1,0,0,0,0|3,0,0]=4 3124 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100000742849_100102657272 [0,1,0,0,0,0|3,0,0]=4 3125 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100102657272_100000742849 [0,1,0,0,0,0|3,0,0]=4 3126 B13R1.718 CNC(=O)NCCc1ccncc1 512a_106832991638_100000742849 [0,1,0,0,0,0|3,0,0]=4 3127 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [0,1,0,0,0,0|3,0,0]=4 3128 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [0,1,0,0,0,0|3,0,0]=4 3129 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,1,0,0,0,0|2,0,1]=4 3130 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,1,0,0,0,0|2,0,1]=4 3131 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,1,0,0,0,0|2,0,1]=4 3132 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,1,0,0,0,0|2,0,1]=4 3133 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,0|1,0,0]=2 3134 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,0|1,0,0]=2 3135 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,0|1,0,0]=2 3136 B13R1.718 COC(=O)CCOc1cccnc1 34a_100000210849_100000742370 [0,1,0,0,0,0|2,0,0]=3 3137 B13R1.718 COC(=O)CCOc1cccnc1 7a_100000210849_100000204255 [0,1,0,0,0,0|2,0,0]=3 3138 B13R1.718 COC(=O)CCOc1ccncc1 34a_100000212176_100000742370 [0,1,0,0,0,0|2,0,0]=3 3139 B13R1.718 COC(=O)CCOc1ccnnc1 34a_100015204005_100000742370 [0,1,0,0,0,0|3,0,0]=4 3140 B13R1.718 COC(=O)CCOc1cncnc1 7a_100000754086_100000204255 [0,1,0,0,0,0|3,0,0]=4 3141 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,0|1,0,0]=2 3142 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,0|1,0,0]=2 3143 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,1,0,0,0,0|2,0,0]=3 3144 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,1,0,0,0,0|2,0,0]=3 3145 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,1,0,0,0,0|2,0,0]=3 3146 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,1,0,0,0,0|2,0,0]=3 3147 B13R1.718 COC(=O)CCSc1cccnn1 62a_100000204255_100016991348 [0,1,0,0,0,0|3,0,0]=4 3148 B13R1.718 COC(=O)CCSc1cccnn1 62a_100016991348_100000204255 [0,1,0,0,0,0|3,0,0]=4 3149 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000204255_100000728582 [0,1,0,0,0,0|2,0,0]=3 3150 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000728582_100000204255 [0,1,0,0,0,0|2,0,0]=3 3151 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000204255_100000703185 [0,1,0,0,0,0|3,0,0]=4 3152 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000703185_100000204255 [0,1,0,0,0,0|3,0,0]=4 3153 B13R1.718 COC(=O)CCSc1ccnnc1 62a_100000204255_100000732662 [0,1,0,0,0,0|3,0,0]=4 3154 B13R1.718 COC(=O)CCSc1ccnnc1 62a_100000732662_100000204255 [0,1,0,0,0,0|3,0,0]=4 3155 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000204255_100000211759 [0,1,0,0,0,0|3,0,0]=4 3156 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000211759_100000204255 [0,1,0,0,0,0|3,0,0]=4 3157 B13R1.718 COC(=O)CCSc1cncnc1 62a_100000204255_100011206942 [0,1,0,0,0,0|3,0,0]=4 3158 B13R1.718 COC(=O)CCSc1cncnc1 62a_100011206942_100000204255 [0,1,0,0,0,0|3,0,0]=4 3159 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000204255_100000211032 [0,1,0,0,0,0|3,0,0]=4 3160 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000211032_100000204255 [0,1,0,0,0,0|3,0,0]=4 3161 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,0|1,0,0]=2 3162 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,0|1,0,0]=2 3163 B13R1.718 COC(=O)CNCc1cccnn1 2230a_100159270163_100000747449 [0,1,0,0,0,0|3,0,0]=4 3164 B13R1.718 COC(=O)CNCc1cncnc1 2230a_100011243677_100000747449 [0,1,0,0,0,0|3,0,0]=4 3165 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,0|1,0,0]=2 3166 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,0|1,0,0]=2 3167 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,0|1,0,0]=2 3168 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,0|1,0,0]=2 3169 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,1,0,0,0,0|2,0,0]=3 3170 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,1,0,0,0,0|2,0,0]=3 3171 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,1,0,0,0,0|2,0,0]=3 3172 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,1,0,0,0,0|2,0,0]=3 3173 B13R1.718 COC(=O)CSCc1cccnn1 62a_100000747449_100016990269 [0,1,0,0,0,0|3,0,0]=4 3174 B13R1.718 COC(=O)CSCc1cccnn1 62a_100016990269_100000747449 [0,1,0,0,0,0|3,0,0]=4 3175 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,1,0,0,0,0|2,0,0]=3 3176 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,1,0,0,0,0|2,0,0]=3 3177 B13R1.718 COC(=O)CSCc1cnccn1 62a_100000747449_100016995436 [0,1,0,0,0,0|3,0,0]=4 3178 B13R1.718 COC(=O)CSCc1cnccn1 62a_100016995436_100000747449 [0,1,0,0,0,0|3,0,0]=4 3179 B13R1.718 COC(=O)CSCc1cncnc1 62a_100000747449_100015196519 [0,1,0,0,0,0|3,0,0]=4 3180 B13R1.718 COC(=O)CSCc1cncnc1 62a_100015196519_100000747449 [0,1,0,0,0,0|3,0,0]=4 3181 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000703007_100000747449 [0,1,0,0,0,0|3,0,0]=4 3182 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000747449_100000703007 [0,1,0,0,0,0|3,0,0]=4 3183 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,1,0,0,0,0|2,0,0]=3 3184 B13R1.718 COC(=O)OCSc1ccccn1 62a_100011216584_100000139417 [0,1,0,0,0,0|3,0,0]=4 3185 B13R1.718 COC(=O)OCSc1cccnc1 62a_100000210063_100000139417 [0,1,0,0,0,0|3,0,0]=4 3186 B13R1.718 COC(=O)OCSc1ccncc1 62a_100000728582_100000139417 [0,1,0,0,0,0|3,0,0]=4 3187 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,0,0,0,0|1,0,1]=3 3188 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,1,0,0,0,0|2,0,1]=4 3189 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,1,0,0,0,0|2,0,1]=4 3190 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,1,0,0,0,0|2,0,1]=4 3191 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,1,0,0,0,0|2,0,1]=4 3192 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,1,0,0,0,0|2,0,1]=4 3193 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,1,0,0,0,0|2,0,1]=4 3194 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,1,0,0,0,0|2,0,1]=4 3195 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,1,0,0,0,0|2,0,1]=4 3196 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,1,0,0,0,0|1,1,1]=4 3197 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,1,0,0,0,0|1,1,1]=4 3198 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,1,0,0,0,0|2,0,1]=4 3199 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,1,0,0,0,0|2,0,1]=4 3200 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,1,0,0,0,0|2,0,1]=4 3201 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,1,0,0,0,0|2,0,1]=4 3202 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,1,0,0,0,0|2,0,1]=4 3203 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,1,0,0,0,0|2,0,1]=4 3204 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,1,0,0,0,0|2,0,1]=4 3205 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,1,0,0,0,0|2,0,1]=4 3206 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,1,0,0,0,0|2,0,1]=4 3207 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,1,0,0,0,0|1,0,2]=4 3208 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,0|1,0,0]=2 3209 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,1,0,0,0,0|2,0,0]=3 3210 B13R1.718 O=C(CF)CCCc1ccncc1 1458a_100020654287_100015361967 [0,1,0,0,0,0|2,0,0]=3 3211 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,1,0,0,0,0|2,0,0]=3 3212 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,1,0,0,0,0|2,0,0]=3 3213 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,0,0,0,0|2,0,0]=3 3214 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,1,0,0,0,0|2,0,0]=3 3215 B13R1.718 O=C(CF)CSCc1ccccn1 1458a_100000742634_100015361967 [0,1,0,0,0,0|3,0,0]=4 3216 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,0|0,0,2]=3 3217 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,1,0,0,0,0|0,0,2]=3 3218 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,0|0,0,0]=1 3219 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,0|1,0,0]=2 3220 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,0|1,0,0]=2 3221 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,0|1,0,0]=2 3222 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,0|1,0,0]=2 3223 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,0|1,0,0]=2 3224 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,1,0,0,0,0|2,0,0]=3 3225 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,1,0,0,0,0|2,0,0]=3 3226 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,1,0,0,0,0|2,0,0]=3 3227 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,1,0,0,0,0|2,0,0]=3 3228 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,1,0,0,0,0|2,0,0]=3 3229 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,1,0,0,0,0|2,0,0]=3 3230 B13R1.718 O=C(CO)NCCc1cnccn1 240690a_100000723456_100000210174 [0,1,0,0,0,0|3,0,0]=4 3231 B13R1.718 O=C(CO)NCCc1cnccn1 527a_100000723456_100000210174 [0,1,0,0,0,0|3,0,0]=4 3232 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,1,0,0,0,0|2,0,0]=3 3233 B13R1.718 O=C(CO)NNCc1ccccn1 22a_100000736832_100000210174 [0,1,0,0,0,0|3,0,0]=4 3234 B13R1.718 O=C(CO)NNCc1cccnc1 22a_100000738295_100000210174 [0,1,0,0,0,0|3,0,0]=4 3235 B13R1.718 O=C(CO)NNCc1ccncc1 22a_100000736929_100000210174 [0,1,0,0,0,0|3,0,0]=4 3236 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,1,0,0,0,0|1,0,2]=4 3237 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,1,0,0,0,0|1,0,2]=4 3238 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,1,0,0,0,0|1,0,2]=4 3239 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,1,0,0,0,0|1,0,2]=4 3240 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,1,0,0,0,0|1,0,2]=4 3241 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,1,0,0,0,0|1,0,2]=4 3242 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,1,0,0,0,0|1,0,2]=4 3243 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,1,0,0,0,0|1,0,2]=4 3244 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,1,0,0,0,0|2,0,1]=4 3245 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,1,0,0,0,0|2,0,1]=4 3246 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,1,0,0,0,0|2,0,1]=4 3247 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,1,0,0,0,0|1,0,2]=4 3248 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,1,0,0,0,0|1,0,2]=4 3249 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,1,0,0,0,0|1,0,2]=4 3250 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,1,0,0,0,0|1,0,2]=4 3251 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,1,0,0,0,0|1,0,2]=4 3252 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,1,0,0,0,0|1,0,2]=4 3253 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,1,0,0,0,0|2,0,1]=4 3254 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,1,0,0,0,0|2,0,1]=4 3255 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,1,0,0,0,0|2,0,1]=4 3256 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,1,0,0,0,0|2,0,1]=4 3257 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,1,0,0,0,0|2,0,1]=4 3258 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,1,0,0,0,0|2,0,1]=4 3259 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [0,1,0,0,0,0|2,0,1]=4 3260 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,1,0,0,0,0|2,0,1]=4 3261 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,1,0,0,0,0|2,0,1]=4 3262 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [0,1,0,0,0,0|2,0,1]=4 3263 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [0,1,0,0,0,0|2,0,1]=4 3264 B13R1.3523 CC(C)(O)CNCc1ccccc1 207a_100000751335_100015611070 [0,1,0,0,0,0|2,0,1]=4 3265 B13R1.3523 CC(C)(O)CNCc1ccccc1 2230a_100000751335_100015291786 [0,1,0,0,0,0|2,0,1]=4 3266 B13R1.3523 CC(C)(O)CNCc1ccccc1 270004a_100000751335_100015611070 [0,1,0,0,0,0|2,0,1]=4 3267 B13R1.3523 CC(C)(O)CNCc1ccccc1 34a_100015324214_100000764493 [0,1,0,0,0,0|2,0,1]=4 3268 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [0,1,0,0,0,0|2,0,1]=4 3269 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [0,1,0,0,0,0|2,0,1]=4 3270 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000211182_100000764493 [0,1,0,0,0,0|2,0,1]=4 3271 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000764493_100015291786 [0,1,0,0,0,0|2,0,1]=4 3272 B13R1.3523 CS(=O)(=O)CCNc1ccccc1 34a_100000106764_100000731031 [0,1,0,0,0,0|2,0,1]=4 3273 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 34a_100000210340_100000731031 [0,1,0,0,0,0|2,0,1]=4 3274 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 7a_100000210340_100000230027 [0,1,0,0,0,0|2,0,1]=4 3275 B13R1.3523 CS(=O)(=O)CCSc1ccccc1 62a_100000719477_100000230027 [0,1,0,0,0,0|2,0,1]=4 3276 B13R1.3523 CS(=O)(=O)CCSc1ccccc1 62a_100000731031_100000041952 [0,1,0,0,0,0|2,0,1]=4 3277 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 40a_100000106460_100000738038 [0,1,0,0,0,0|2,0,1]=4 3278 B13R1.3523 NS(=O)(=O)CSCc1ccccc1 62a_100000211182_100000741382 [0,1,0,0,0,0|2,0,1]=4 3279 B13R1.3523 NS(=O)(=O)CSCc1ccccc1 62a_100000741382_100015291786 [0,1,0,0,0,0|2,0,1]=4 3280 B13R1.3523 O=S(=O)([O-])CCNc1ccccc1 34a_100000106764_100000762736 [0,1,0,0,0,0|2,0,1]=4 3281 B13R1.3523 O=S(=O)([O-])CCOc1ccccc1 34a_100000210340_100000762736 [0,1,0,0,0,0|2,0,1]=4 3282 B13R1.3523 O=S(=O)([O-])CCSc1ccccc1 62a_100000719477_100000762736 [0,1,0,0,0,0|2,0,1]=4 3283 B13R1.3523 O=S(=O)([O-])CCSc1ccccc1 62a_100000762736_100000041952 [0,1,0,0,0,0|2,0,1]=4 3284 B13R1.3523 O=S(=O)([O-])CNCc1ccccc1 34a_100015324214_100009817235 [0,1,0,0,0,0|2,0,1]=4 3285 B13R1.3523 O=S(=O)([O-])COCc1ccccc1 34a_100000210790_100009817235 [0,1,0,0,0,0|2,0,1]=4 3286 B13R1.3523 O=S(=O)([O-])CSCc1ccccc1 62a_100000211182_100009817235 [0,1,0,0,0,0|2,0,1]=4 3287 B13R1.3523 O=S(=O)([O-])CSCc1ccccc1 62a_100009817235_100015291786 [0,1,0,0,0,0|2,0,1]=4 3288 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,0,1,0,0,0|2,0,0]=3 3289 B11R0.147 C=CC=CC(=O)CCCC(=O)N 1458a_100016291481_100102525003 [0,0,1,0,0,0|2,0,0]=3 3290 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,0,1,0,0,0|2,0,1]=4 3291 B11R0.147 C=CC=CC(=O)CCNC(=O)C 1458a_100016291481_100000189650 [0,0,1,0,0,0|3,0,0]=4 3292 B11R0.147 C=CC=CC(=O)CCNC(=O)N 1458a_100016291481_200000034859 [0,0,1,0,0,0|3,0,0]=4 3293 B11R0.147 C=CC=CC(=O)CCOC(=O)C 1458a_100016291481_100009814007 [0,0,1,0,0,0|3,0,0]=4 3294 B11R0.147 C=CC=CC(=O)CCOC(=O)N 1458a_100016291481_200011214921 [0,0,1,0,0,0|3,0,0]=4 3295 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,1,0,0|3,0,0]=4 3296 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,1,0,0|3,0,0]=4 3297 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,1,0,0|3,0,0]=4 3298 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,0|1,0,1]=3 3299 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,0,1,0,0|2,0,1]=4 3300 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,0,0,1,0,0|2,0,1]=4 3301 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,0,0,1,0,0|2,0,1]=4 3302 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,1,0,0|3,0,0]=4 3303 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,1,0,0|3,0,0]=4 3304 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,1,0,0|3,0,0]=4 3305 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,1,0,0|2,0,0]=3 3306 B13R2.31 O=C1CC(C1)Sc2ccccn2 62a_100009894365_100011216584 [0,0,0,1,0,0|3,0,0]=4 3307 B13R2.31 O=C1CC(C1)Sc2cccnc2 62a_100009894365_100000210063 [0,0,0,1,0,0|3,0,0]=4 3308 B13R2.31 O=C1CC(C1)Sc2ccncc2 62a_100009894365_100000728582 [0,0,0,1,0,0|3,0,0]=4 3309 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,0,0,1,0,0|2,0,1]=4 3310 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,0,0,1,0,0|1,0,2]=4 3311 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,1,0,0|1,0,2]=4 3312 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,0|1,0,0]=2 3313 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,0,0,1,0,0|3,0,0]=4 3314 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,0,0,1,0,0|3,0,0]=4 3315 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,0,0,1,0,0|1,0,2]=4 3316 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,1,0,0|1,0,2]=4 3317 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,0|1,0,0]=2 3318 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,0,0,1,0,0|3,0,0]=4 3319 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,0,0,1,0,0|3,0,0]=4 3320 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,0,0,1,0,0|3,0,0]=4 3321 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,0,0,1,0,0|3,0,0]=4 3322 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,0,0,1,0,0|3,0,0]=4 3323 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,0,0,1,0,0|3,0,0]=4 3324 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,0|2,0,0]=3 3325 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,0|1,0,0]=2 3326 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,0|2,0,0]=3 3327 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,0|1,0,0]=2 3328 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,0,0,1,0,0|2,0,1]=4 3329 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,0,0,1,0,0|2,0,1]=4 3330 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,0,0,1,0,0|2,0,1]=4 3331 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,0,0,1,0,0|2,0,1]=4 3332 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,0,0,1,0,0|2,0,1]=4 3333 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,0,0,1,0,0|2,0,1]=4 3334 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_100000211182_102125554688 [0,0,0,1,0,0|2,0,1]=4 3335 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_102125554688_100015291786 [0,0,0,1,0,0|2,0,1]=4 3336 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000211182_100000745022 [0,0,0,1,0,0|2,0,1]=4 3337 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100015291786 [0,0,0,1,0,0|2,0,1]=4 3338 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,0,0,1,0,0|2,0,1]=4 3339 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,0,0,1,0,0|2,0,1]=4 3340 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,0,0,1,0,0|2,0,1]=4 3341 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,0,0,1,0,0|2,0,1]=4 3342 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,0,0,1,0,0|2,0,1]=4 3343 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,1,0|3,0,0]=4 3344 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,1,0|3,0,0]=4 3345 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,1,0|3,0,0]=4 3346 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,1,0|3,0,0]=4 3347 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,1,0|3,0,0]=4 3348 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,1,0|3,0,0]=4 3349 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,1,0|3,0,0]=4 3350 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,1,0|3,0,0]=4 3351 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,1,0|3,0,0]=4 3352 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,1,0|3,0,0]=4 3353 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,1,0|1,0,2]=4 3354 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,1,0|1,0,2]=4 3355 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,1,0|1,0,0]=2 3356 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,1,0|1,0,0]=2 3357 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,1,0|2,0,0]=3 3358 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,1,0|2,0,0]=3 3359 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,1,0|2,0,0]=3 3360 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,1,0|2,0,0]=3 3361 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,1,0|2,0,0]=3 3362 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,1,0|2,0,0]=3 3363 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,1,0|2,0,0]=3 3364 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,1,0|3,0,0]=4 3365 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,1,0|3,0,0]=4 3366 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,1,0|2,0,0]=3 3367 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,1,0|3,0,0]=4 3368 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,1,0|3,0,0]=4 3369 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,1,0|2,0,0]=3 3370 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,1,0|2,0,0]=3 3371 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,1,0|2,0,0]=3 3372 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,1,0|2,0,0]=3 3373 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,1,0|3,0,0]=4 3374 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,1,0|3,0,0]=4 3375 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,1,0|3,0,0]=4 3376 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,1,0|3,0,0]=4 3377 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,1,0|3,0,0]=4 3378 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,1,0|3,0,0]=4 3379 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,1,0|3,0,0]=4 3380 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,1,0|3,0,0]=4 3381 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,1,0|3,0,0]=4 3382 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,1,0|3,0,0]=4 3383 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,1,0|3,0,0]=4 3384 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,1,0|3,0,0]=4 3385 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,1,0|2,0,1]=4 3386 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,1,0|2,0,1]=4 3387 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,1,0|2,0,1]=4 3388 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,1,0|2,0,1]=4 3389 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,1,0|2,0,1]=4 3390 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,1,0|3,0,0]=4 3391 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,1,0|3,0,0]=4 3392 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,1,0|3,0,0]=4 3393 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,1,0|3,0,0]=4 3394 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,1,0|3,0,0]=4 3395 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,1,0|3,0,0]=4 3396 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,1,0|2,0,1]=4 3397 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,1,0|2,0,1]=4 3398 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,1,0|2,0,1]=4 3399 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,1,0|2,0,1]=4 3400 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,1,0|2,0,1]=4 3401 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,1,0|2,0,0]=3 3402 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,1,0|2,0,0]=3 3403 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,1,0|2,0,0]=3 3404 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,1,0|3,0,0]=4 3405 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,1,0|3,0,0]=4 3406 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,1,0|3,0,0]=4 3407 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,1,0|2,0,0]=3 3408 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,1,0|2,0,0]=3 3409 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,1,0|3,0,0]=4 3410 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,1,0|3,0,0]=4 3411 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,1,0|3,0,0]=4 3412 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,1,0|3,0,0]=4 3413 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,1,0|3,0,0]=4 3414 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,1,0|3,0,0]=4 3415 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,1,0|1,0,1]=3 3416 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,1,0|1,0,1]=3 3417 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,1,0|2,0,1]=4 3418 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,1,0|2,0,1]=4 3419 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,1,0|1,0,1]=3 3420 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,1,0|1,0,1]=3 3421 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,1,0|2,0,1]=4 3422 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,1,0|2,0,1]=4 3423 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,1,0|2,0,1]=4 3424 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,1,0|2,0,1]=4 3425 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,1,0|2,0,1]=4 3426 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,1,0|2,0,1]=4 3427 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,1,0|2,0,1]=4 3428 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,1,0|2,0,1]=4 3429 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,1,0|2,0,1]=4 3430 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,1,0|1,0,2]=4 3431 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,1,0|1,0,2]=4 3432 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,1,0|1,0,0]=2 3433 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,1,0|2,0,0]=3 3434 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,1,0|2,0,0]=3 3435 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,1,0|2,0,0]=3 3436 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,1,0|2,0,0]=3 3437 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,1,0|3,0,0]=4 3438 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,1,0|3,0,0]=4 3439 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,1,0|2,0,0]=3 3440 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,1,0|3,0,0]=4 3441 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,1,0|3,0,0]=4 3442 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,1,0|2,0,0]=3 3443 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,1,0|2,0,0]=3 3444 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,1,0|2,0,0]=3 3445 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,1,0|2,0,0]=3 3446 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,1,0|3,0,0]=4 3447 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,1,0|3,0,0]=4 3448 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [0,0,0,0,1,0|3,0,0]=4 3449 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [0,0,0,0,1,0|3,0,0]=4 3450 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,1,0|3,0,0]=4 3451 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,1,0|3,0,0]=4 3452 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,1,0|3,0,0]=4 3453 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,1,0|3,0,0]=4 3454 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,1,0|3,0,0]=4 3455 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,1,0|3,0,0]=4 3456 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,1,0|3,0,0]=4 3457 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,1,0|3,0,0]=4 3458 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,1,0|3,0,0]=4 3459 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,1,0|3,0,0]=4 3460 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,1,0|3,0,0]=4 3461 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,1,0|3,0,0]=4 3462 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,1,0|3,0,0]=4 3463 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,1,0|3,0,0]=4 3464 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,1,0|3,0,0]=4 3465 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,1,0|3,0,0]=4 3466 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,1,0|3,0,0]=4 3467 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,1,0|3,0,0]=4 3468 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,1,0|3,0,0]=4 3469 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,1,0|3,0,0]=4 3470 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,1,0|3,0,0]=4 3471 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,1,0|3,0,0]=4 3472 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,1,0|3,0,0]=4 3473 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,1,0|3,0,0]=4 3474 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,1,0|3,0,0]=4 3475 B11R1.172 NC(=O)CCOc1ccsc1 34a_100000106738_100000731001 [0,0,0,0,1,0|3,0,0]=4 3476 B11R1.172 NC(=O)CCOc1ccsc1 7a_100000106738_100000744528 [0,0,0,0,1,0|3,0,0]=4 3477 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,1,0|3,0,0]=4 3478 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,1,0|3,0,0]=4 3479 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,1,0|3,0,0]=4 3480 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,1,0|3,0,0]=4 3481 B11R1.172 NC(=O)CCSc1ccoc1 62a_100000744528_100011215275 [0,0,0,0,1,0|3,0,0]=4 3482 B11R1.172 NC(=O)CCSc1ccoc1 62a_100011215275_100000744528 [0,0,0,0,1,0|3,0,0]=4 3483 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000738268_100000744528 [0,0,0,0,1,0|3,0,0]=4 3484 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000744528_100000738268 [0,0,0,0,1,0|3,0,0]=4 3485 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,1,0|3,0,0]=4 3486 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,1,0|3,0,0]=4 3487 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,1,0|3,0,0]=4 3488 B11R1.172 NC(=O)CNCc1ccoc1 2230a_100015206860_100000747473 [0,0,0,0,1,0|3,0,0]=4 3489 B11R1.172 NC(=O)CNCc1ccoc1 34a_100015206860_100000187820 [0,0,0,0,1,0|3,0,0]=4 3490 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000186416_100000747473 [0,0,0,0,1,0|3,0,0]=4 3491 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000711301_100011261437 [0,0,0,0,1,0|3,0,0]=4 3492 B11R1.172 NC(=O)CNCc1ccsc1 34a_100000186416_100000187820 [0,0,0,0,1,0|3,0,0]=4 3493 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,1,0|3,0,0]=4 3494 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,1,0|3,0,0]=4 3495 B11R1.172 NC(=O)COCc1ccoc1 34a_100011215357_100000187820 [0,0,0,0,1,0|3,0,0]=4 3496 B11R1.172 NC(=O)COCc1ccsc1 34a_100011215551_100000187820 [0,0,0,0,1,0|3,0,0]=4 3497 B11R1.172 NC(=O)CSCc1ccsc1 62a_100000747473_100011233845 [0,0,0,0,1,0|3,0,0]=4 3498 B11R1.172 NC(=O)CSCc1ccsc1 62a_100011261437_100000747473 [0,0,0,0,1,0|3,0,0]=4 3499 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,1,0|3,0,0]=4 3500 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [0,0,0,0,1,0|3,0,0]=4 3501 B11R1.172 O=C(O)CNCc1ccon1 269956a_100016091260_100000234950 [0,0,0,0,1,0|3,0,0]=4 3502 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [0,0,0,0,1,0|2,0,0]=3 3503 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [0,0,0,0,1,0|3,0,0]=4 3504 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,1,0|3,0,0]=4 3505 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [0,0,0,0,1,0|3,0,0]=4 3506 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,1,0|3,0,0]=4 3507 B11R1.172 O=C(O)CNCc1nccs1 269956a_100016091260_100015184050 [0,0,0,0,1,0|3,0,0]=4 3508 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,1,0|2,0,1]=4 3509 B11R1.172 O=C([O-])CNCc1ccoc1 34a_100015206860_100020667443 [0,0,0,0,1,0|2,0,1]=4 3510 B11R1.172 O=C([O-])CNCc1ccsc1 34a_100000186416_100020667443 [0,0,0,0,1,0|2,0,1]=4 3511 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,1,0|2,0,1]=4 3512 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,1,0|2,0,1]=4 3513 B11R1.172 O=C([O-])COCc1ccoc1 34a_100011215357_100020667443 [0,0,0,0,1,0|2,0,1]=4 3514 B11R1.172 O=C([O-])COCc1ccsc1 34a_100011215551_100020667443 [0,0,0,0,1,0|2,0,1]=4 3515 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100011261437_100020667443 [0,0,0,0,1,0|2,0,1]=4 3516 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100020667443_100011233845 [0,0,0,0,1,0|2,0,1]=4 3517 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,1,0|2,0,0]=3 3518 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,1,0|2,0,0]=3 3519 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,1,0|3,0,0]=4 3520 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [0,0,0,0,1,0|3,0,0]=4 3521 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [0,0,0,0,0,1|2,0,0]=3 3522 B13R1.337 C=C(Br)CCOCc1ccccn1 34a_100009813270_100000721315 [0,0,0,0,0,1|3,0,0]=4 3523 B13R1.337 C=C(Br)CCOCc1cccnc1 34a_100009813270_100000733263 [0,0,0,0,0,1|3,0,0]=4 3524 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,0,0,0,0,1|2,0,0]=3 3525 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,0,0,0,0,1|2,0,0]=3 3526 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,0,0,0,0,1|2,0,0]=3 3527 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,0,0,0,0,1|2,0,0]=3 3528 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,0,0,0,0,1|2,0,0]=3 3529 B13R1.337 C=C(C)CCOCc1ccccn1 34a_100000764851_100000721315 [0,0,0,0,0,1|3,0,0]=4 3530 B13R1.337 C=C(C)CCOCc1cccnc1 34a_100000764851_100000733263 [0,0,0,0,0,1|3,0,0]=4 3531 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,0,0,0,0,1|2,0,0]=3 3532 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,0,0,0,0,1|2,0,0]=3 3533 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000721315_100000730704 [0,0,0,0,0,1|3,0,0]=4 3534 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000730704_100000721315 [0,0,0,0,0,1|3,0,0]=4 3535 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000730704_100000741622 [0,0,0,0,0,1|3,0,0]=4 3536 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000741622_100000730704 [0,0,0,0,0,1|3,0,0]=4 3537 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100000730704_100015193705 [0,0,0,0,0,1|3,0,0]=4 3538 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100015193705_100000730704 [0,0,0,0,0,1|3,0,0]=4 3539 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,0,0,0,0,1|2,0,0]=3 3540 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,0,0,0,0,1|2,0,0]=3 3541 B13R1.337 C=C(C)CNCCc1cccnc1 2230a_100000736294_100000748629 [0,0,0,0,0,1|3,0,0]=4 3542 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,0,0,0,0,1|2,0,0]=3 3543 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,0,0,0,0,1|2,0,0]=3 3544 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,0,0,0,0,1|2,0,0]=3 3545 B13R1.337 C=C(C)COCCc1ccccn1 34a_100000210271_100000748629 [0,0,0,0,0,1|3,0,0]=4 3546 B13R1.337 C=C(C)COCCc1cccnc1 34a_100011217484_100000748629 [0,0,0,0,0,1|3,0,0]=4 3547 B13R1.337 C=C(C)COCCc1ccncc1 34a_100011216225_100000748629 [0,0,0,0,0,1|3,0,0]=4 3548 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,0,0,0,0,1|2,0,0]=3 3549 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,0,0,0,0,1|2,0,0]=3 3550 B13R1.337 C=C(C)CSCCc1ccccn1 62a_100000748629_100015183660 [0,0,0,0,0,1|3,0,0]=4 3551 B13R1.337 C=C(C)CSCCc1ccccn1 62a_100015183660_100000211660 [0,0,0,0,0,1|3,0,0]=4 3552 B13R1.337 C=C(C)CSCCc1cccnc1 62a_100000748629_200011713674 [0,0,0,0,0,1|3,0,0]=4 3553 B13R1.337 C=C(C)CSCCc1cccnc1 62a_200011713674_100000211660 [0,0,0,0,0,1|3,0,0]=4 3554 B13R1.337 C=C(C)CSCCc1ccncc1 62a_100000723409_100000211660 [0,0,0,0,0,1|3,0,0]=4 3555 B13R1.337 C=C(C)CSCCc1ccncc1 62a_100000748629_100000723409 [0,0,0,0,0,1|3,0,0]=4 3556 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100000748629_100011218342 [0,0,0,0,0,1|3,0,0]=4 3557 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100011218342_100000211660 [0,0,0,0,0,1|3,0,0]=4 3558 B13R1.337 C=C(F)CNCCc1ccccc1 2230a_100000106460_100009893438 [0,0,0,0,0,1|2,0,0]=3 3559 B13R1.337 C=C(F)CNCCc1ccccc1 34a_100000106460_100009893438 [0,0,0,0,0,1|2,0,0]=3 3560 B13R1.337 C=C(F)CNCCc1cccnc1 2230a_100000736294_100009893438 [0,0,0,0,0,1|3,0,0]=4 3561 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,0,0,0,0,1|2,0,0]=3 3562 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,0,0,0,0,1|2,0,0]=3 3563 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,0,0,0,0,1|2,0,0]=3 3564 B13R1.337 C=C(F)COCCc1ccccn1 34a_100000210271_100009893438 [0,0,0,0,0,1|3,0,0]=4 3565 B13R1.337 C=C(F)COCCc1cccnc1 34a_100011217484_100009893438 [0,0,0,0,0,1|3,0,0]=4 3566 B13R1.337 C=C(F)COCCc1ccncc1 34a_100011216225_100009893438 [0,0,0,0,0,1|3,0,0]=4 3567 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000042424_100011218657 [0,0,0,0,0,1|2,0,0]=3 3568 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000765856_100000042424 [0,0,0,0,0,1|2,0,0]=3 3569 B13R1.337 C=C(F)CSCCc1ccccn1 62a_100000042424_100015183660 [0,0,0,0,0,1|3,0,0]=4 3570 B13R1.337 C=C(F)CSCCc1ccccn1 62a_100015183660_100000042424 [0,0,0,0,0,1|3,0,0]=4 3571 B13R1.337 C=C(F)CSCCc1cccnc1 62a_100000042424_200011713674 [0,0,0,0,0,1|3,0,0]=4 3572 B13R1.337 C=C(F)CSCCc1cccnc1 62a_200011713674_100000042424 [0,0,0,0,0,1|3,0,0]=4 3573 B13R1.337 C=C(F)CSCCc1ccncc1 62a_100000042424_100000723409 [0,0,0,0,0,1|3,0,0]=4 3574 B13R1.337 C=C(F)CSCCc1ccncc1 62a_100000723409_100000042424 [0,0,0,0,0,1|3,0,0]=4 3575 B13R1.337 C=C(F)CSCSc1ccccc1 62a_100000042424_100011218342 [0,0,0,0,0,1|3,0,0]=4 3576 B13R1.337 C=C(F)CSCSc1ccccc1 62a_100011218342_100000042424 [0,0,0,0,0,1|3,0,0]=4 3577 B13R1.337 CC(=CCCNc1ccccc1)C 34a_100000106764_100011217483 [0,0,0,0,0,1|2,0,1]=4 3578 B13R1.337 CC(=CCCOc1ccccc1)C 34a_100000210340_100011217483 [0,0,0,0,0,1|2,0,1]=4 3579 B13R1.337 CC(=CCCOc1ccccc1)C 7a_100000210340_100011217483 [0,0,0,0,0,1|2,0,1]=4 3580 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100000719477_100011217483 [0,0,0,0,0,1|2,0,1]=4 3581 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100011217483_100000041952 [0,0,0,0,0,1|2,0,1]=4 3582 B13R1.337 CC(=CCNCc1ccccc1)C 2230a_100015324214_100000761012 [0,0,0,0,0,1|2,0,1]=4 3583 B13R1.337 CC(=CCNCc1ccccc1)C 270004a_100000718196_100015611070 [0,0,0,0,0,1|2,0,1]=4 3584 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100000718196_100015291786 [0,0,0,0,0,1|2,0,1]=4 3585 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100015324214_100000761012 [0,0,0,0,0,1|2,0,1]=4 3586 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [0,0,0,0,0,1|2,0,1]=4 3587 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [0,0,0,0,0,1|2,0,1]=4 3588 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [0,0,0,0,0,1|2,0,1]=4 3589 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000211182_100000761012 [0,0,0,0,0,1|2,0,1]=4 3590 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000761012_100015291786 [0,0,0,0,0,1|2,0,1]=4 3591 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [0,0,0,0,0,1|1,0,1]=3 3592 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,0,0,0,1|1,0,0]=2 3593 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,0,0,0,1|1,0,0]=2 3594 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,0,0,0,0,1|2,0,0]=3 3595 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,0,0,0,1|1,0,0]=2 3596 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,0,0,0,0,1|1,0,0]=2 3597 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,0,0,0,0,1|1,0,0]=2 3598 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,0,0,0,0,1|1,0,0]=2 3599 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,0,0,0,0,1|1,0,0]=2 3600 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,0,0,0,0,1|2,0,0]=3 3601 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,0,0,0,0,1|2,0,0]=3 3602 B13R1.337 CC(=O)CCCOc1ccncc1 34a_100000212176_100000685027 [0,0,0,0,0,1|2,0,0]=3 3603 B13R1.337 CC(=O)CCCOc1ccnnc1 34a_100015204005_100000685027 [0,0,0,0,0,1|3,0,0]=4 3604 B13R1.337 CC(=O)CCCOc1cncnc1 7a_100000754086_100011215641 [0,0,0,0,0,1|3,0,0]=4 3605 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,0,0,0,0,1|1,0,0]=2 3606 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,0,0,0,0,1|1,0,0]=2 3607 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,0,0,0,0,1|1,0,0]=2 3608 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,0,0,0,0,1|1,0,0]=2 3609 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011215641_100011216584 [0,0,0,0,0,1|2,0,0]=3 3610 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011216584_100011215641 [0,0,0,0,0,1|2,0,0]=3 3611 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [0,0,0,0,0,1|2,0,0]=3 3612 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [0,0,0,0,0,1|2,0,0]=3 3613 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100011215641_100016991348 [0,0,0,0,0,1|3,0,0]=4 3614 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100016991348_100011215641 [0,0,0,0,0,1|3,0,0]=4 3615 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100000728582_100011215641 [0,0,0,0,0,1|2,0,0]=3 3616 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100011215641_100000728582 [0,0,0,0,0,1|2,0,0]=3 3617 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100000703185_100011215641 [0,0,0,0,0,1|3,0,0]=4 3618 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100011215641_100000703185 [0,0,0,0,0,1|3,0,0]=4 3619 B13R1.337 CC(=O)CCCSc1ccnnc1 62a_100000732662_100011215641 [0,0,0,0,0,1|3,0,0]=4 3620 B13R1.337 CC(=O)CCCSc1ccnnc1 62a_100011215641_100000732662 [0,0,0,0,0,1|3,0,0]=4 3621 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100000211759_100011215641 [0,0,0,0,0,1|3,0,0]=4 3622 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100011215641_100000211759 [0,0,0,0,0,1|3,0,0]=4 3623 B13R1.337 CC(=O)CCCSc1cncnc1 62a_100011206942_100011215641 [0,0,0,0,0,1|3,0,0]=4 3624 B13R1.337 CC(=O)CCCSc1cncnc1 62a_100011215641_100011206942 [0,0,0,0,0,1|3,0,0]=4 3625 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100000211032_100011215641 [0,0,0,0,0,1|3,0,0]=4 3626 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100011215641_100000211032 [0,0,0,0,0,1|3,0,0]=4 3627 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,0,0,0,1|1,0,0]=2 3628 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,0,0,0,1|1,0,0]=2 3629 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,0,0,0,1|1,0,0]=2 3630 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,0,0,0,1|1,0,0]=2 3631 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,0,0,0,1|1,0,0]=2 3632 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,0,0,0,0,1|2,0,0]=3 3633 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,0,0,0,0,1|2,0,0]=3 3634 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,0,0,0,0,1|2,0,0]=3 3635 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,0,0,0,0,1|2,0,0]=3 3636 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [0,0,0,0,0,1|3,0,0]=4 3637 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [0,0,0,0,0,1|3,0,0]=4 3638 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [0,0,0,0,0,1|2,0,0]=3 3639 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [0,0,0,0,0,1|3,0,0]=4 3640 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [0,0,0,0,0,1|3,0,0]=4 3641 B13R1.337 CC(=O)CCOCc1cncnc1 34a_100000759926_100015196519 [0,0,0,0,0,1|3,0,0]=4 3642 B13R1.337 CC(=O)CCOCc1cncnc1 7a_100000759926_100015196519 [0,0,0,0,0,1|3,0,0]=4 3643 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [0,0,0,0,0,1|3,0,0]=4 3644 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [0,0,0,0,0,1|3,0,0]=4 3645 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,0,0,0,0,1|1,0,0]=2 3646 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,0,0,0,0,1|1,0,0]=2 3647 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,0,0,0,0,1|1,0,0]=2 3648 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,0,0,0,0,1|1,0,0]=2 3649 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [0,0,0,0,0,1|2,0,0]=3 3650 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [0,0,0,0,0,1|2,0,0]=3 3651 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [0,0,0,0,0,1|2,0,0]=3 3652 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,0,0,0,0,1|2,0,0]=3 3653 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,0,0,0,0,1|2,0,0]=3 3654 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [0,0,0,0,0,1|3,0,0]=4 3655 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [0,0,0,0,0,1|3,0,0]=4 3656 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100000053229_100015193705 [0,0,0,0,0,1|2,0,0]=3 3657 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100015193705_100000053229 [0,0,0,0,0,1|2,0,0]=3 3658 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [0,0,0,0,0,1|3,0,0]=4 3659 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [0,0,0,0,0,1|3,0,0]=4 3660 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100000053229_100015196519 [0,0,0,0,0,1|3,0,0]=4 3661 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100015196519_100000053229 [0,0,0,0,0,1|3,0,0]=4 3662 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [0,0,0,0,0,1|3,0,0]=4 3663 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [0,0,0,0,0,1|3,0,0]=4 3664 B13R1.337 CC(=O)CCSSc1ccccn1 1458a_100000068049_200000210301 [0,0,0,0,0,1|3,0,0]=4 3665 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,0,0,0,1|1,0,0]=2 3666 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [0,0,0,0,0,1|1,0,2]=4 3667 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [0,0,0,0,0,1|1,0,2]=4 3668 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [0,0,0,0,0,1|1,0,2]=4 3669 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [0,0,0,0,0,1|1,0,2]=4 3670 B13R1.337 CC(=O)NCC#Cc1ccccc1 11a_100000735379_100015343762 [0,0,0,0,0,1|1,0,2]=4 3671 B13R1.337 CC(=O)NCC#Cc1ccccc1 1626a_100000735379_100015343762 [0,0,0,0,0,1|1,0,2]=4 3672 B13R1.337 CC(=O)NCC#Cc1ccccc1 240690a_100000735379_100015343762 [0,0,0,0,0,1|1,0,2]=4 3673 B13R1.337 CC(=O)NCC#Cc1ccccc1 527a_100000735379_100103153847 [0,0,0,0,0,1|1,0,2]=4 3674 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,1|1,0,0]=2 3675 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,1|1,0,0]=2 3676 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,1|1,0,0]=2 3677 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,1|1,0,0]=2 3678 B13R1.337 CC(=O)NCCCc1ccccn1 11a_100000689020_100015343762 [0,0,0,0,0,1|2,0,0]=3 3679 B13R1.337 CC(=O)NCCCc1ccccn1 1626a_100000689020_100015343762 [0,0,0,0,0,1|2,0,0]=3 3680 B13R1.337 CC(=O)NCCCc1ccccn1 240690a_100000689020_100015343762 [0,0,0,0,0,1|2,0,0]=3 3681 B13R1.337 CC(=O)NCCCc1ccccn1 527a_100000689020_100103153847 [0,0,0,0,0,1|2,0,0]=3 3682 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [0,0,0,0,0,1|2,0,0]=3 3683 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [0,0,0,0,0,1|2,0,0]=3 3684 B13R1.337 CC(=O)NCCCc1ccncc1 1626a_100011275580_100015343762 [0,0,0,0,0,1|2,0,0]=3 3685 B13R1.337 CC(=O)NCCCc1ccncc1 240690a_100011275580_100015343762 [0,0,0,0,0,1|2,0,0]=3 3686 B13R1.337 CC(=O)NCCCc1ccncc1 527a_100011275580_100103153847 [0,0,0,0,0,1|2,0,0]=3 3687 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,0,0,0,0,1|2,0,0]=3 3688 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,0,0,0,0,1|2,0,0]=3 3689 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,0,0,0,0,1|2,0,0]=3 3690 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,0,0,0,0,1|2,0,0]=3 3691 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,0,0,0,0,1|2,0,0]=3 3692 B13R1.337 CC(=O)NCCOc1ccccn1 11a_106741647558_100015343762 [0,0,0,0,0,1|3,0,0]=4 3693 B13R1.337 CC(=O)NCCOc1ccccn1 1626a_106741647558_100015343762 [0,0,0,0,0,1|3,0,0]=4 3694 B13R1.337 CC(=O)NCCOc1ccccn1 240690a_106741647558_100015343762 [0,0,0,0,0,1|3,0,0]=4 3695 B13R1.337 CC(=O)NCCOc1ccccn1 527a_106741647558_100103153847 [0,0,0,0,0,1|3,0,0]=4 3696 B13R1.337 CC(=O)NCCOc1cccnc1 11a_100000754688_100015343762 [0,0,0,0,0,1|3,0,0]=4 3697 B13R1.337 CC(=O)NCCOc1cccnc1 240690a_100000754688_100015343762 [0,0,0,0,0,1|3,0,0]=4 3698 B13R1.337 CC(=O)NCCOc1cccnc1 527a_100000754688_100103153847 [0,0,0,0,0,1|3,0,0]=4 3699 B13R1.337 CC(=O)NCCOc1cccnc1 7a_100000210849_100000189650 [0,0,0,0,0,1|3,0,0]=4 3700 B13R1.337 CC(=O)NCCOc1ccncc1 11a_100025717301_100015343762 [0,0,0,0,0,1|3,0,0]=4 3701 B13R1.337 CC(=O)NCCOc1ccncc1 240690a_100025717301_100015343762 [0,0,0,0,0,1|3,0,0]=4 3702 B13R1.337 CC(=O)NCCOc1ccncc1 527a_100025717301_100103153847 [0,0,0,0,0,1|3,0,0]=4 3703 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [0,0,0,0,0,1|2,0,0]=3 3704 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [0,0,0,0,0,1|2,0,0]=3 3705 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [0,0,0,0,0,1|2,0,0]=3 3706 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [0,0,0,0,0,1|2,0,0]=3 3707 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100000189650_100011216584 [0,0,0,0,0,1|3,0,0]=4 3708 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100011216584_100000189650 [0,0,0,0,0,1|3,0,0]=4 3709 B13R1.337 CC(=O)NCCSc1cccnc1 62a_100000189650_100000210063 [0,0,0,0,0,1|3,0,0]=4 3710 B13R1.337 CC(=O)NCCSc1cccnc1 62a_100000210063_100000189650 [0,0,0,0,0,1|3,0,0]=4 3711 B13R1.337 CC(=O)NCCSc1ccncc1 62a_100000189650_100000728582 [0,0,0,0,0,1|3,0,0]=4 3712 B13R1.337 CC(=O)NCCSc1ccncc1 62a_100000728582_100000189650 [0,0,0,0,0,1|3,0,0]=4 3713 B13R1.337 CC(=O)NN=CCc1ccccc1 4a_100000189765_100000209964 [0,0,0,0,0,1|2,0,1]=4 3714 B13R1.337 CC(=O)NNCCc1ccccc1 22a_100000740470_100000070787 [0,0,0,0,0,1|2,0,0]=3 3715 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [0,0,0,0,0,1|1,0,2]=4 3716 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,0,0,0,0,1|2,0,0]=3 3717 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,0,0,0,0,1|2,0,0]=3 3718 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,0,0,0,0,1|2,0,0]=3 3719 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [0,0,0,0,0,1|3,0,0]=4 3720 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [0,0,0,0,0,1|3,0,0]=4 3721 B13R1.337 CC(=O)OCCOc1ccncc1 34a_100000212176_100009814007 [0,0,0,0,0,1|3,0,0]=4 3722 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,0,0,0,0,1|2,0,0]=3 3723 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,0,0,0,0,1|2,0,0]=3 3724 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [0,0,0,0,0,1|3,0,0]=4 3725 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [0,0,0,0,0,1|3,0,0]=4 3726 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100000210063_100009814007 [0,0,0,0,0,1|3,0,0]=4 3727 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100009814007_100000210063 [0,0,0,0,0,1|3,0,0]=4 3728 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100000728582_100009814007 [0,0,0,0,0,1|3,0,0]=4 3729 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100009814007_100000728582 [0,0,0,0,0,1|3,0,0]=4 3730 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,0,0,0,1|2,0,0]=3 3731 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,0,0,0,1|2,0,0]=3 3732 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,0,0,0,1|2,0,0]=3 3733 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,0,0,0,1|2,0,0]=3 3734 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [0,0,0,0,0,1|3,0,0]=4 3735 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [0,0,0,0,0,1|3,0,0]=4 3736 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [0,0,0,0,0,1|3,0,0]=4 3737 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [0,0,0,0,0,1|3,0,0]=4 3738 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [0,0,0,0,0,1|3,0,0]=4 3739 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [0,0,0,0,0,1|3,0,0]=4 3740 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,0,0,0,0,1|2,0,1]=4 3741 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,0,0,0,0,1|2,0,1]=4 3742 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,0,0,0,0,1|2,0,1]=4 3743 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,0,0,0,0,1|2,0,1]=4 3744 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,0,0,0,0,1|2,0,1]=4 3745 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,0,0,0,0,1|2,0,1]=4 3746 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,0,0,0,0,1|2,0,1]=4 3747 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,0,0,0,0,1|2,0,1]=4 3748 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,0,0,0,0,1|2,0,1]=4 3749 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,0,0,0,0,1|2,0,1]=4 3750 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,0,0,0,0,1|2,0,1]=4 3751 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,0,0,0,0,1|2,0,1]=4 3752 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,0,0,0,0,1|2,0,1]=4 3753 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,0,0,0,0,1|2,0,1]=4 3754 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,0,0,0,0,1|2,0,1]=4 3755 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,0,0,0,0,1|2,0,1]=4 3756 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,0,0,0,0,1|2,0,1]=4 3757 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,0,0,0,0,1|2,0,1]=4 3758 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,0,0,0,0,1|2,0,1]=4 3759 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,0,0,0,0,1|2,0,1]=4 3760 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,0,0,0,0,1|2,0,1]=4 3761 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,0,0,0,0,1|2,0,1]=4 3762 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,0,0,0,0,1|2,0,1]=4 3763 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,0,0,0,0,1|2,0,1]=4 3764 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,0,0,0,0,1|2,0,1]=4 3765 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,0,0,0,0,1|2,0,1]=4 3766 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,0,0,0,0,1|2,0,1]=4 3767 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,0,0,0,0,1|2,0,1]=4 3768 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,0,0,0,0,1|2,0,1]=4 3769 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,0,0,0,0,1|2,0,1]=4 3770 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,0,0,0,0,1|2,0,1]=4 3771 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,0,0,0,0,1|2,0,1]=4 3772 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,0,0,0,0,1|2,0,1]=4 3773 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,0,0,0,0,1|2,0,1]=4 3774 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,0,0,0,0,1|2,0,1]=4 3775 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,0,0,0,0,1|2,0,1]=4 3776 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,0,0,0,0,1|2,0,1]=4 3777 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,0,0,0,0,1|2,0,1]=4 3778 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,0,0,0,0,1|1,0,1]=3 3779 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,0,0,0,0,1|1,0,1]=3 3780 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,0,0,0,0,1|1,0,1]=3 3781 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,0,0,0,0,1|2,0,1]=4 3782 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,0,0,0,0,1|2,0,1]=4 3783 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,0,0,0,0,1|2,0,1]=4 3784 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,0,0,0,0,1|1,0,1]=3 3785 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,0,0,0,0,1|1,0,1]=3 3786 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,0,0,0,0,1|2,0,1]=4 3787 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,0,0,0,0,1|2,0,1]=4 3788 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,0,0,0,0,1|2,0,1]=4 3789 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,0,0,0,0,1|2,0,1]=4 3790 B13R1.337 CC(O)CCCSc1ccncc1 62a_100000728582_200000718107 [0,0,0,0,0,1|2,0,1]=4 3791 B13R1.337 CC(O)CCCSc1ccncc1 62a_200000718107_100000728582 [0,0,0,0,0,1|2,0,1]=4 3792 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,0,0,0,0,1|1,0,1]=3 3793 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,0,0,0,0,1|1,0,1]=3 3794 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,0,0,0,0,1|1,0,1]=3 3795 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,0,0,0,0,1|1,0,1]=3 3796 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,0,0,0,0,1|1,0,1]=3 3797 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,0,0,0,0,1|2,0,1]=4 3798 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,0,0,0,0,1|2,0,1]=4 3799 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,0,0,0,0,1|2,0,1]=4 3800 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,0,0,0,0,1|2,0,1]=4 3801 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,0,0,0,0,1|2,0,1]=4 3802 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,0,0,0,0,1|2,0,1]=4 3803 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,0,0,0,0,1|2,0,1]=4 3804 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,0,0,0,0,1|2,0,1]=4 3805 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,0,0,0,0,1|1,0,1]=3 3806 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,0,0,0,0,1|1,0,1]=3 3807 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,0,0,0,0,1|1,0,1]=3 3808 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,0,0,0,0,1|1,0,1]=3 3809 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,0,0,0,0,1|2,0,1]=4 3810 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,0,0,0,0,1|2,0,1]=4 3811 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,0,0,0,0,1|2,0,1]=4 3812 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,0,0,0,0,1|2,0,1]=4 3813 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [0,0,0,0,0,1|2,0,1]=4 3814 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [0,0,0,0,0,1|2,0,1]=4 3815 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,0,0,0,0,1|1,0,1]=3 3816 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,0,0,0,0,1|1,0,1]=3 3817 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,0,0,0,0,1|1,0,1]=3 3818 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,0,0,0,0,1|1,0,1]=3 3819 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,0,0,0,0,1|2,0,1]=4 3820 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,0,0,0,0,1|2,0,1]=4 3821 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,0,0,0,0,1|2,0,1]=4 3822 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [0,0,0,0,0,1|2,0,1]=4 3823 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,0,0,0,0,1|2,0,1]=4 3824 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,0,0,0,0,1|1,0,1]=3 3825 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,0,0,0,0,1|1,0,1]=3 3826 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,0,0,0,0,1|2,0,1]=4 3827 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,0,0,0,0,1|2,0,1]=4 3828 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [0,0,0,0,0,1|2,0,1]=4 3829 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,0,0,0,0,1|1,0,1]=3 3830 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,0,0,0,0,1|1,0,1]=3 3831 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,0,0,0,0,1|2,0,1]=4 3832 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,0,0,0,0,1|2,0,1]=4 3833 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,0,0,0,0,1|2,0,1]=4 3834 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,0,0,0,0,1|2,0,1]=4 3835 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [0,0,0,0,0,1|2,0,1]=4 3836 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [0,0,0,0,0,1|2,0,1]=4 3837 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,0,0,0,0,1|2,0,1]=4 3838 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,0,0,0,0,1|2,0,1]=4 3839 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,0,0,0,0,1|3,0,0]=4 3840 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,0,0,0,0,1|3,0,0]=4 3841 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,0,0,0,0,1|3,0,0]=4 3842 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,0,0,0,0,1|3,0,0]=4 3843 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,0,0,0,0,1|3,0,0]=4 3844 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,0,0,0,0,1|3,0,0]=4 3845 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,0,0,0,0,1|3,0,0]=4 3846 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,0,0,0,0,1|3,0,0]=4 3847 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,0,0,0,0,1|3,0,0]=4 3848 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,0,0,0,0,1|3,0,0]=4 3849 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,0,0,0,0,1|3,0,0]=4 3850 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,0,0,0,0,1|3,0,0]=4 3851 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,0,0,0,0,1|3,0,0]=4 3852 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,0,0,0,0,1|3,0,0]=4 3853 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,0,0,0,0,1|3,0,0]=4 3854 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,0,0,0,0,1|3,0,0]=4 3855 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,0,0,0,0,1|3,0,0]=4 3856 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,0,0,0,0,1|3,0,0]=4 3857 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,0,0,0,0,1|3,0,0]=4 3858 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,0,0,0,0,1|3,0,0]=4 3859 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,0,0,0,0,1|3,0,0]=4 3860 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,0,0,0,0,1|3,0,0]=4 3861 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,0,0,0,0,1|3,0,0]=4 3862 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,0,0,0,0,1|3,0,0]=4 3863 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,0,0,0,0,1|3,0,0]=4 3864 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,0,0,0,0,1|3,0,0]=4 3865 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,0,0,0,0,1|3,0,0]=4 3866 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,0,0,0,0,1|3,0,0]=4 3867 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,0,0,0,0,1|3,0,0]=4 3868 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,0,0,0,0,1|3,0,0]=4 3869 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,0,0,0,0,1|3,0,0]=4 3870 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,0,0,0,0,1|3,0,0]=4 3871 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,0,0,0,0,1|3,0,0]=4 3872 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,0,0,0,0,1|3,0,0]=4 3873 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,0,0,0,0,1|2,0,1]=4 3874 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,0,0,0,0,1|2,0,1]=4 3875 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,0,0,0,0,1|2,0,1]=4 3876 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,0,0,0,0,1|1,0,1]=3 3877 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,0,0,0,0,1|1,0,1]=3 3878 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,0,0,0,0,1|2,0,1]=4 3879 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,0,0,0,0,1|1,0,1]=3 3880 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,0,0,0,0,1|1,0,1]=3 3881 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,0,0,0,0,1|2,0,1]=4 3882 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,0,0,0,0,1|2,0,1]=4 3883 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [0,0,0,0,0,1|2,0,1]=4 3884 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,0,0,0,0,1|1,0,1]=3 3885 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,0,0,0,0,1|1,0,1]=3 3886 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,0,0,0,0,1|2,0,1]=4 3887 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,0,0,0,0,1|2,0,1]=4 3888 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,0,0,0,0,1|2,0,1]=4 3889 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,0,0,0,0,1|2,0,1]=4 3890 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [0,0,0,0,0,1|2,0,1]=4 3891 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [0,0,0,0,0,1|2,0,1]=4 3892 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,0,0,0,0,1|2,0,1]=4 3893 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,0,0,0,0,1|2,0,1]=4 3894 B13R1.337 FC(=CCCNc1ccccc1)F 34a_100000106764_200009816681 [0,0,0,0,0,1|2,0,1]=4 3895 B13R1.337 FC(=CCCOc1ccccc1)F 34a_100000210340_200009816681 [0,0,0,0,0,1|2,0,1]=4 3896 B13R1.337 FC(=CCCOc1ccccc1)F 7a_100000210340_200009816681 [0,0,0,0,0,1|2,0,1]=4 3897 B13R1.337 FC(=CCCSc1ccccc1)F 62a_100000719477_200009816681 [0,0,0,0,0,1|2,0,1]=4 3898 B13R1.337 FC(=CCCSc1ccccc1)F 62a_200009816681_100000041952 [0,0,0,0,0,1|2,0,1]=4 3899 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,0,0,0,0,1|2,0,1]=4 3900 B13R1.337 FC(F)CNCCc1ccccc1 2230a_100000106460_100011934356 [0,0,0,0,0,1|2,0,1]=4 3901 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000106460_100011934356 [0,0,0,0,0,1|2,0,1]=4 3902 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000765723_100000765856 [0,0,0,0,0,1|2,0,1]=4 3903 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [0,0,0,0,0,1|2,0,1]=4 3904 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [0,0,0,0,0,1|2,0,1]=4 3905 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [0,0,0,0,0,1|2,0,1]=4 3906 B13R1.337 FC(F)CSCCc1ccccc1 62a_100000765856_100011934356 [0,0,0,0,0,1|2,0,1]=4 3907 B13R1.337 FC(F)CSCCc1ccccc1 62a_100011934356_100011218657 [0,0,0,0,0,1|2,0,1]=4 3908 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,0,0,0,1|1,0,0]=2 3909 B13R1.337 NC(=O)CCCNc1cccnn1 27a_100000739312_100016991348 [0,0,0,0,0,1|3,0,0]=4 3910 B13R1.337 NC(=O)CCCNc1ccncn1 27a_100000739312_100000703185 [0,0,0,0,0,1|3,0,0]=4 3911 B13R1.337 NC(=O)CCCNc1cnccn1 27a_100000739312_100000211759 [0,0,0,0,0,1|3,0,0]=4 3912 B13R1.337 NC(=O)CCCNc1ncccn1 27a_100000739312_100000211032 [0,0,0,0,0,1|3,0,0]=4 3913 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,0,0,0,1|1,0,0]=2 3914 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,0,0,0,1|1,0,0]=2 3915 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [0,0,0,0,0,1|2,0,0]=3 3916 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [0,0,0,0,0,1|2,0,0]=3 3917 B13R1.337 NC(=O)CCCOc1ccncc1 34a_100000212176_100102525003 [0,0,0,0,0,1|2,0,0]=3 3918 B13R1.337 NC(=O)CCCOc1ccnnc1 34a_100015204005_100102525003 [0,0,0,0,0,1|3,0,0]=4 3919 B13R1.337 NC(=O)CCCOc1cncnc1 7a_100000754086_100102525003 [0,0,0,0,0,1|3,0,0]=4 3920 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,0,0,0,1|1,0,0]=2 3921 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,0,0,0,1|1,0,0]=2 3922 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100011216584_100102525003 [0,0,0,0,0,1|2,0,0]=3 3923 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100102525003_100011216584 [0,0,0,0,0,1|2,0,0]=3 3924 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100000210063_100102525003 [0,0,0,0,0,1|2,0,0]=3 3925 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100102525003_100000210063 [0,0,0,0,0,1|2,0,0]=3 3926 B13R1.337 NC(=O)CCCSc1cccnn1 62a_100016991348_100102525003 [0,0,0,0,0,1|3,0,0]=4 3927 B13R1.337 NC(=O)CCCSc1cccnn1 62a_100102525003_100016991348 [0,0,0,0,0,1|3,0,0]=4 3928 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100000728582_100102525003 [0,0,0,0,0,1|2,0,0]=3 3929 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100102525003_100000728582 [0,0,0,0,0,1|2,0,0]=3 3930 B13R1.337 NC(=O)CCCSc1ccncn1 62a_100000703185_100102525003 [0,0,0,0,0,1|3,0,0]=4 3931 B13R1.337 NC(=O)CCCSc1ccncn1 62a_100102525003_100000703185 [0,0,0,0,0,1|3,0,0]=4 3932 B13R1.337 NC(=O)CCCSc1ccnnc1 62a_100000732662_100102525003 [0,0,0,0,0,1|3,0,0]=4 3933 B13R1.337 NC(=O)CCCSc1ccnnc1 62a_100102525003_100000732662 [0,0,0,0,0,1|3,0,0]=4 3934 B13R1.337 NC(=O)CCCSc1cnccn1 62a_100000211759_100102525003 [0,0,0,0,0,1|3,0,0]=4 3935 B13R1.337 NC(=O)CCCSc1cnccn1 62a_100102525003_100000211759 [0,0,0,0,0,1|3,0,0]=4 3936 B13R1.337 NC(=O)CCCSc1cncnc1 62a_100011206942_100102525003 [0,0,0,0,0,1|3,0,0]=4 3937 B13R1.337 NC(=O)CCCSc1cncnc1 62a_100102525003_100011206942 [0,0,0,0,0,1|3,0,0]=4 3938 B13R1.337 NC(=O)CCCSc1ncccn1 62a_100000211032_100102525003 [0,0,0,0,0,1|3,0,0]=4 3939 B13R1.337 NC(=O)CCCSc1ncccn1 62a_100102525003_100000211032 [0,0,0,0,0,1|3,0,0]=4 3940 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,0,0,0,1|1,0,0]=2 3941 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,0,0,0,1|1,0,0]=2 3942 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,0,0,0,1|1,0,0]=2 3943 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [0,0,0,0,0,1|2,0,0]=3 3944 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [0,0,0,0,0,1|2,0,0]=3 3945 B13R1.337 NC(=O)CCNCc1cccnn1 2230a_100159270163_100000744528 [0,0,0,0,0,1|3,0,0]=4 3946 B13R1.337 NC(=O)CCNCc1ccncc1 207a_100000740010_100000186114 [0,0,0,0,0,1|2,0,0]=3 3947 B13R1.337 NC(=O)CCNCc1cncnc1 2230a_100011243677_100000744528 [0,0,0,0,0,1|3,0,0]=4 3948 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,0,0,0,1|1,0,0]=2 3949 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,0,0,0,1|1,0,0]=2 3950 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,0,0,0,1|1,0,0]=2 3951 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,0,0,0,1|1,0,0]=2 3952 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [0,0,0,0,0,1|2,0,0]=3 3953 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [0,0,0,0,0,1|2,0,0]=3 3954 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [0,0,0,0,0,1|2,0,0]=3 3955 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [0,0,0,0,0,1|2,0,0]=3 3956 B13R1.337 NC(=O)CCOCc1cccnn1 34a_100000757172_100016990269 [0,0,0,0,0,1|3,0,0]=4 3957 B13R1.337 NC(=O)CCOCc1cccnn1 7a_100000757172_100016990269 [0,0,0,0,0,1|3,0,0]=4 3958 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [0,0,0,0,0,1|2,0,0]=3 3959 B13R1.337 NC(=O)CCOCc1cnccn1 34a_100000757172_100016995436 [0,0,0,0,0,1|3,0,0]=4 3960 B13R1.337 NC(=O)CCOCc1cnccn1 7a_100000757172_100016995436 [0,0,0,0,0,1|3,0,0]=4 3961 B13R1.337 NC(=O)CCOCc1cncnc1 34a_100000757172_100015196519 [0,0,0,0,0,1|3,0,0]=4 3962 B13R1.337 NC(=O)CCOCc1cncnc1 7a_100000757172_100015196519 [0,0,0,0,0,1|3,0,0]=4 3963 B13R1.337 NC(=O)CCOCc1ncccn1 34a_100000757172_100000703007 [0,0,0,0,0,1|3,0,0]=4 3964 B13R1.337 NC(=O)CCOCc1ncccn1 7a_100000757172_100000703007 [0,0,0,0,0,1|3,0,0]=4 3965 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,0,0,0,1|1,0,0]=2 3966 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,0,0,0,1|1,0,0]=2 3967 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [0,0,0,0,0,1|2,0,0]=3 3968 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [0,0,0,0,0,1|2,0,0]=3 3969 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [0,0,0,0,0,1|2,0,0]=3 3970 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [0,0,0,0,0,1|2,0,0]=3 3971 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100000744528_100016990269 [0,0,0,0,0,1|3,0,0]=4 3972 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100016990269_100000744528 [0,0,0,0,0,1|3,0,0]=4 3973 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [0,0,0,0,0,1|2,0,0]=3 3974 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [0,0,0,0,0,1|2,0,0]=3 3975 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100000744528_100016995436 [0,0,0,0,0,1|3,0,0]=4 3976 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100016995436_100000744528 [0,0,0,0,0,1|3,0,0]=4 3977 B13R1.337 NC(=O)CCSCc1cncnc1 62a_100000744528_100015196519 [0,0,0,0,0,1|3,0,0]=4 3978 B13R1.337 NC(=O)CCSCc1cncnc1 62a_100015196519_100000744528 [0,0,0,0,0,1|3,0,0]=4 3979 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000703007_100000744528 [0,0,0,0,0,1|3,0,0]=4 3980 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000744528_100000703007 [0,0,0,0,0,1|3,0,0]=4 3981 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,0,0,0,1|1,0,0]=2 3982 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,0,0,0,1|1,0,0]=2 3983 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,0,0,0,1|1,0,0]=2 3984 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [0,0,0,0,0,1|2,0,0]=3 3985 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [0,0,0,0,0,1|2,0,0]=3 3986 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [0,0,0,0,0,1|2,0,0]=3 3987 B13R1.337 NC(=O)CNCCc1ccncc1 2230a_100000711301_100000723409 [0,0,0,0,0,1|2,0,0]=3 3988 B13R1.337 NC(=O)CNCSc1ccccc1 2230a_100000711301_100011218342 [0,0,0,0,0,1|2,0,0]=3 3989 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,0,0,0,1|1,0,0]=2 3990 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,0,0,0,1|1,0,0]=2 3991 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,0,0,0,0,1|2,0,0]=3 3992 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,0,0,0,0,1|2,0,0]=3 3993 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [0,0,0,0,0,1|2,0,0]=3 3994 B13R1.337 NC(=O)COCCc1cnccn1 34a_100011349526_100000187820 [0,0,0,0,0,1|3,0,0]=4 3995 B13R1.337 NC(=O)COCCc1cncnc1 34a_100011709255_100000187820 [0,0,0,0,0,1|3,0,0]=4 3996 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,0,0,0,1|1,0,0]=2 3997 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,0,0,0,1|1,0,0]=2 3998 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [0,0,0,0,0,1|2,0,0]=3 3999 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [0,0,0,0,0,1|2,0,0]=3 4000 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [0,0,0,0,0,1|2,0,0]=3 4001 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [0,0,0,0,0,1|2,0,0]=3 4002 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000723409_100000747473 [0,0,0,0,0,1|2,0,0]=3 4003 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000747473_100000723409 [0,0,0,0,0,1|2,0,0]=3 4004 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100000747473_100011218342 [0,0,0,0,0,1|2,0,0]=3 4005 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100011218342_100000747473 [0,0,0,0,0,1|2,0,0]=3 4006 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,0,0,0,0,1|2,0,0]=3 4007 B13R1.337 NC(=O)NCCOc1cccnc1 7a_100000210849_200000034859 [0,0,0,0,0,1|3,0,0]=4 4008 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,0,0,0,0,1|2,0,0]=3 4009 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,0,0,0,0,1|2,0,0]=3 4010 B13R1.337 NC(=O)NCCSc1ccccn1 62a_100011216584_200000034859 [0,0,0,0,0,1|3,0,0]=4 4011 B13R1.337 NC(=O)NCCSc1ccccn1 62a_200000034859_100011216584 [0,0,0,0,0,1|3,0,0]=4 4012 B13R1.337 NC(=O)NCCSc1cccnc1 62a_100000210063_200000034859 [0,0,0,0,0,1|3,0,0]=4 4013 B13R1.337 NC(=O)NCCSc1cccnc1 62a_200000034859_100000210063 [0,0,0,0,0,1|3,0,0]=4 4014 B13R1.337 NC(=O)NCCSc1ccncc1 62a_100000728582_200000034859 [0,0,0,0,0,1|3,0,0]=4 4015 B13R1.337 NC(=O)NCCSc1ccncc1 62a_200000034859_100000728582 [0,0,0,0,0,1|3,0,0]=4 4016 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,0,0,0,0,1|2,0,0]=3 4017 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,0,0,0,0,1|2,0,0]=3 4018 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,0,0,0,0,1|2,0,0]=3 4019 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [0,0,0,0,0,1|3,0,0]=4 4020 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [0,0,0,0,0,1|3,0,0]=4 4021 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [0,0,0,0,0,1|3,0,0]=4 4022 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,0,0,0,0,1|2,0,0]=3 4023 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,0,0,0,0,1|2,0,0]=3 4024 B13R1.337 NC(=O)OCCSc1ccccn1 62a_100011216584_200011214921 [0,0,0,0,0,1|3,0,0]=4 4025 B13R1.337 NC(=O)OCCSc1ccccn1 62a_200011214921_100011216584 [0,0,0,0,0,1|3,0,0]=4 4026 B13R1.337 NC(=O)OCCSc1cccnc1 62a_100000210063_200011214921 [0,0,0,0,0,1|3,0,0]=4 4027 B13R1.337 NC(=O)OCCSc1cccnc1 62a_200011214921_100000210063 [0,0,0,0,0,1|3,0,0]=4 4028 B13R1.337 NC(=O)OCCSc1ccncc1 62a_100000728582_200011214921 [0,0,0,0,0,1|3,0,0]=4 4029 B13R1.337 NC(=O)OCCSc1ccncc1 62a_200011214921_100000728582 [0,0,0,0,0,1|3,0,0]=4 4030 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,1|0,0,0]=1 4031 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,0,0,0,0,1|1,0,0]=2 4032 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [0,0,0,0,0,1|1,0,0]=2 4033 B13R1.337 O=C(O)CNCCc1ccncc1 269956a_100016091260_100000723409 [0,0,0,0,0,1|1,0,0]=2 4034 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,1|1,0,0]=2 4035 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,1|1,0,0]=2 4036 B13R1.337 O=C(O)CONCc1ccccn1 269956a_100000106656_100000721315 [0,0,0,0,0,1|2,0,0]=3 4037 B13R1.337 O=C(O)CONCc1cccnc1 269956a_100000106656_100000733263 [0,0,0,0,0,1|2,0,0]=3 4038 B13R1.337 O=C(O)CONCc1cccnn1 269956a_100000106656_100016990269 [0,0,0,0,0,1|3,0,0]=4 4039 B13R1.337 O=C(O)CONCc1ccncc1 269956a_100000106656_100015193705 [0,0,0,0,0,1|2,0,0]=3 4040 B13R1.337 O=C(O)CONCc1cnccn1 269956a_100000106656_100016995436 [0,0,0,0,0,1|3,0,0]=4 4041 B13R1.337 O=C(O)CONCc1cncnc1 269956a_100000106656_100016991940 [0,0,0,0,0,1|3,0,0]=4 4042 B13R1.337 O=C(O)CONCc1ncccn1 269956a_100000106656_100000703007 [0,0,0,0,0,1|3,0,0]=4 4043 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [0,0,0,0,0,1|0,0,1]=2 4044 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,0,0,0,0,1|0,0,1]=2 4045 B13R1.337 O=C([O-])COCCc1ccccn1 34a_100000210271_100020667443 [0,0,0,0,0,1|1,0,1]=3 4046 B13R1.337 O=C([O-])COCCc1cccnc1 34a_100011217484_100020667443 [0,0,0,0,0,1|1,0,1]=3 4047 B13R1.337 O=C([O-])COCCc1ccncc1 34a_100011216225_100020667443 [0,0,0,0,0,1|1,0,1]=3 4048 B13R1.337 O=C([O-])COCCc1cnccn1 34a_100011349526_100020667443 [0,0,0,0,0,1|2,0,1]=4 4049 B13R1.337 O=C([O-])COCCc1cncnc1 34a_100011709255_100020667443 [0,0,0,0,0,1|2,0,1]=4 4050 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,0,0,0,0,1|0,0,1]=2 4051 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,0,0,0,0,1|0,0,1]=2 4052 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100015183660_100020667443 [0,0,0,0,0,1|1,0,1]=3 4053 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100020667443_100015183660 [0,0,0,0,0,1|1,0,1]=3 4054 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_100020667443_200011713674 [0,0,0,0,0,1|1,0,1]=3 4055 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_200011713674_100020667443 [0,0,0,0,0,1|1,0,1]=3 4056 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100000723409_100020667443 [0,0,0,0,0,1|1,0,1]=3 4057 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100020667443_100000723409 [0,0,0,0,0,1|1,0,1]=3 4058 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100011218342_100020667443 [0,0,0,0,0,1|1,0,1]=3 4059 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100020667443_100011218342 [0,0,0,0,0,1|1,0,1]=3 4060 B13R1.337 O=[N+]([O-])CNCCc1ccccc1 34a_100000106460_100000761209 [0,0,0,0,0,1|1,0,1]=3 4061 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [0,0,0,0,0,1|1,0,1]=3 4062 B13R1.337 O=[N+]([O-])COCCc1ccccn1 34a_100000210271_100000761209 [0,0,0,0,0,1|2,0,1]=4 4063 B13R1.337 O=[N+]([O-])COCCc1cccnc1 34a_100011217484_100000761209 [0,0,0,0,0,1|2,0,1]=4 4064 B13R1.337 O=[N+]([O-])COCCc1ccncc1 34a_100011216225_100000761209 [0,0,0,0,0,1|2,0,1]=4 4065 B13R1.337 O=[N+]([O-])CSCCc1ccccc1 62a_100000765856_100000761209 [0,0,0,0,0,1|1,0,1]=3 4066 B13R1.337 O=[N+]([O-])CSCCc1ccccn1 62a_100015183660_100000761209 [0,0,0,0,0,1|2,0,1]=4 4067 B13R1.337 O=[N+]([O-])CSCCc1cccnc1 62a_200011713674_100000761209 [0,0,0,0,0,1|2,0,1]=4 4068 B13R1.337 O=[N+]([O-])CSCCc1ccncc1 62a_100000723409_100000761209 [0,0,0,0,0,1|2,0,1]=4 4069 B13R1.337 O=[N+]([O-])CSCSc1ccccc1 62a_100011218342_100000761209 [0,0,0,0,0,1|2,0,1]=4 4070 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [0,0,0,0,0,1|1,0,1]=3 4071 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,0,0,0,1|1,0,0]=2 4072 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,0,0,0,0,1|1,0,0]=2 4073 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,0,0,0,0,1|1,0,0]=2 4074 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,0,0,0,1|1,0,0]=2 4075 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,0,0,0,0,1|1,0,0]=2 4076 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [0,0,0,0,0,1|2,0,0]=3 4077 B13R1.337 [13CH3]C(=O)CCSSc1ccccn1 1458a_100000068049_200025704644 [0,0,0,0,0,1|3,0,0]=4 4078 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [1,0,1,0,0,0|2,0,0]=4 4079 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [1,0,1,0,0,0|1,0,1]=4 4080 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [2,0,0,0,0,0|1,0,1]=4 4081 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|1,0,1]=4 4082 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|1,0,1]=4 4083 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [2,0,0,0,0,0|1,0,1]=4 4084 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [2,0,0,0,0,0|1,0,1]=4 4085 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|0,0,1]=3 4086 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|1,0,1]=4 4087 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|1,0,1]=4 4088 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|1,0,1]=4 4089 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|1,0,1]=4 4090 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|1,0,1]=4 4091 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|1,0,1]=4 4092 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|1,0,1]=4 4093 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|1,0,1]=4 4094 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 4095 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 4096 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|1,0,1]=4 4097 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 4098 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 4099 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|1,0,1]=4 4100 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|1,0,1]=4 4101 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|1,0,1]=4 4102 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|1,0,1]=4 4103 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|1,0,1]=4 4104 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|1,0,1]=4 4105 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|1,0,1]=4 4106 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|1,0,1]=4 4107 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|1,0,1]=4 4108 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|1,0,1]=4 4109 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,1]=4 4110 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,1]=4 4111 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,1]=4 4112 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,1]=4 4113 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,1]=4 4114 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [2,0,0,0,0,0|2,0,0]=4 4115 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [2,0,0,0,0,0|2,0,0]=4 4116 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [2,0,0,0,0,0|2,0,0]=4 4117 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [2,0,0,0,0,0|2,0,0]=4 4118 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [2,0,0,0,0,0|2,0,0]=4 4119 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [2,0,0,0,0,0|2,0,0]=4 4120 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [2,0,0,0,0,0|2,0,0]=4 4121 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [2,0,0,0,0,0|2,0,0]=4 4122 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [2,0,0,0,0,0|2,0,0]=4 4123 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [2,0,0,0,0,0|2,0,0]=4 4124 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,0]=3 4125 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,0]=3 4126 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,0]=3 4127 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [2,0,0,0,0,0|2,0,0]=4 4128 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [2,0,0,0,0,0|2,0,0]=4 4129 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [2,0,0,0,0,0|2,0,0]=4 4130 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,0]=3 4131 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,0]=3 4132 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [2,0,0,0,0,0|2,0,0]=4 4133 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [2,0,0,0,0,0|2,0,0]=4 4134 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [2,0,0,0,0,0|2,0,0]=4 4135 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [2,0,0,0,0,0|2,0,0]=4 4136 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [2,0,0,0,0,0|2,0,0]=4 4137 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [2,0,0,0,0,0|2,0,0]=4 4138 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|1,0,0]=3 4139 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|1,0,0]=3 4140 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|1,0,0]=3 4141 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [2,0,0,0,0,0|2,0,0]=4 4142 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [2,0,0,0,0,0|2,0,0]=4 4143 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [2,0,0,0,0,0|2,0,0]=4 4144 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|1,0,0]=3 4145 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|1,0,0]=3 4146 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [2,0,0,0,0,0|2,0,0]=4 4147 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [2,0,0,0,0,0|2,0,0]=4 4148 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [2,0,0,0,0,0|2,0,0]=4 4149 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [2,0,0,0,0,0|2,0,0]=4 4150 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [2,0,0,0,0,0|2,0,0]=4 4151 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [2,0,0,0,0,0|2,0,0]=4 4152 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|1,0,1]=4 4153 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|1,0,1]=4 4154 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,1]=4 4155 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,1]=4 4156 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,1]=4 4157 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,1]=4 4158 B12R0.102 C=CC=CC(=O)CCCC(=O)NC 1458a_100016291481_100000741757 [0,1,1,0,0,0|2,0,0]=4 4159 B12R0.102 C=CC=CC(=O)CCCC(=O)OC 1458a_100016291481_100011218270 [0,1,1,0,0,0|1,0,0]=3 4160 B12R0.233 C/C=C/C=CC(=O)CCCC(=O)C 1458a_100000185730_100011215641 [0,1,1,0,0,0|2,0,0]=4 4161 B12R0.233 C/C=C/C=CC(=O)CCCC(=O)N 1458a_100000185730_100102525003 [0,1,1,0,0,0|2,0,0]=4 4162 B12R0.95 C=CC=CC(=O)CCCCC(=O)C 1458a_100016291481_100000735457 [0,1,1,0,0,0|1,0,1]=4 4163 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [1,1,0,0,0,0|2,0,0]=4 4164 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [1,1,0,0,0,0|2,0,0]=4 4165 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [1,1,0,0,0,0|2,0,0]=4 4166 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [1,1,0,0,0,0|2,0,0]=4 4167 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [1,1,0,0,0,0|2,0,0]=4 4168 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [1,1,0,0,0,0|2,0,0]=4 4169 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [1,1,0,0,0,0|2,0,0]=4 4170 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [1,1,0,0,0,0|2,0,0]=4 4171 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [1,1,0,0,0,0|2,0,0]=4 4172 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [1,1,0,0,0,0|2,0,0]=4 4173 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [1,1,0,0,0,0|2,0,0]=4 4174 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [1,1,0,0,0,0|2,0,0]=4 4175 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [1,1,0,0,0,0|2,0,0]=4 4176 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [1,1,0,0,0,0|2,0,0]=4 4177 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [1,1,0,0,0,0|2,0,0]=4 4178 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [1,1,0,0,0,0|2,0,0]=4 4179 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [1,1,0,0,0,0|2,0,0]=4 4180 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [1,1,0,0,0,0|2,0,0]=4 4181 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [1,1,0,0,0,0|2,0,0]=4 4182 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [1,1,0,0,0,0|2,0,0]=4 4183 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [1,1,0,0,0,0|2,0,0]=4 4184 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [1,1,0,0,0,0|2,0,0]=4 4185 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [1,1,0,0,0,0|2,0,0]=4 4186 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [1,1,0,0,0,0|2,0,0]=4 4187 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [1,1,0,0,0,0|2,0,0]=4 4188 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [1,1,0,0,0,0|2,0,0]=4 4189 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [1,1,0,0,0,0|2,0,0]=4 4190 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [1,1,0,0,0,0|2,0,0]=4 4191 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [1,1,0,0,0,0|2,0,0]=4 4192 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [1,1,0,0,0,0|2,0,0]=4 4193 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [1,1,0,0,0,0|2,0,0]=4 4194 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [1,1,0,0,0,0|2,0,0]=4 4195 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [1,1,0,0,0,0|2,0,0]=4 4196 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [1,1,0,0,0,0|2,0,0]=4 4197 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [1,1,0,0,0,0|2,0,0]=4 4198 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [1,1,0,0,0,0|2,0,0]=4 4199 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [1,1,0,0,0,0|2,0,0]=4 4200 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [1,1,0,0,0,0|2,0,0]=4 4201 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [1,1,0,0,0,0|2,0,0]=4 4202 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [1,1,0,0,0,0|2,0,0]=4 4203 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [1,1,0,0,0,0|2,0,0]=4 4204 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [1,1,0,0,0,0|2,0,0]=4 4205 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [1,1,0,0,0,0|2,0,0]=4 4206 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [1,1,0,0,0,0|2,0,0]=4 4207 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [1,1,0,0,0,0|2,0,0]=4 4208 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [1,1,0,0,0,0|2,0,0]=4 4209 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [1,1,0,0,0,0|2,0,0]=4 4210 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [1,1,0,0,0,0|2,0,0]=4 4211 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [1,1,0,0,0,0|2,0,0]=4 4212 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [1,1,0,0,0,0|2,0,0]=4 4213 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [1,1,0,0,0,0|2,0,0]=4 4214 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [1,1,0,0,0,0|2,0,0]=4 4215 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [1,1,0,0,0,0|2,0,0]=4 4216 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [1,1,0,0,0,0|2,0,0]=4 4217 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [1,1,0,0,0,0|2,0,0]=4 4218 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [1,1,0,0,0,0|2,0,0]=4 4219 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [1,1,0,0,0,0|2,0,0]=4 4220 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [1,1,0,0,0,0|2,0,0]=4 4221 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [1,1,0,0,0,0|2,0,0]=4 4222 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [1,1,0,0,0,0|2,0,0]=4 4223 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [1,1,0,0,0,0|2,0,0]=4 4224 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [1,1,0,0,0,0|2,0,0]=4 4225 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [1,1,0,0,0,0|2,0,0]=4 4226 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [1,1,0,0,0,0|2,0,0]=4 4227 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [1,1,0,0,0,0|2,0,0]=4 4228 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [1,1,0,0,0,0|2,0,0]=4 4229 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [1,1,0,0,0,0|2,0,0]=4 4230 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [1,1,0,0,0,0|2,0,0]=4 4231 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [1,1,0,0,0,0|2,0,0]=4 4232 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [1,1,0,0,0,0|2,0,0]=4 4233 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [1,1,0,0,0,0|2,0,0]=4 4234 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [1,1,0,0,0,0|2,0,0]=4 4235 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [1,1,0,0,0,0|2,0,0]=4 4236 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [1,1,0,0,0,0|2,0,0]=4 4237 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [1,1,0,0,0,0|2,0,0]=4 4238 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [1,1,0,0,0,0|1,0,1]=4 4239 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4240 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [1,1,0,0,0,0|2,0,0]=4 4241 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4242 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [1,1,0,0,0,0|2,0,0]=4 4243 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [1,1,0,0,0,0|2,0,0]=4 4244 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [1,1,0,0,0,0|2,0,0]=4 4245 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [1,1,0,0,0,0|2,0,0]=4 4246 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [1,1,0,0,0,0|2,0,0]=4 4247 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [1,1,0,0,0,0|2,0,0]=4 4248 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [1,1,0,0,0,0|2,0,0]=4 4249 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [1,1,0,0,0,0|2,0,0]=4 4250 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [1,1,0,0,0,0|2,0,0]=4 4251 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [1,1,0,0,0,0|2,0,0]=4 4252 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [1,1,0,0,0,0|2,0,0]=4 4253 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [1,1,0,0,0,0|2,0,0]=4 4254 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [1,1,0,0,0,0|2,0,0]=4 4255 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [1,1,0,0,0,0|2,0,0]=4 4256 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [1,1,0,0,0,0|2,0,0]=4 4257 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [1,1,0,0,0,0|2,0,0]=4 4258 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [1,1,0,0,0,0|2,0,0]=4 4259 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [1,1,0,0,0,0|2,0,0]=4 4260 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [1,1,0,0,0,0|2,0,0]=4 4261 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [1,1,0,0,0,0|2,0,0]=4 4262 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [1,1,0,0,0,0|2,0,0]=4 4263 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [1,1,0,0,0,0|2,0,0]=4 4264 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [1,1,0,0,0,0|2,0,0]=4 4265 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [1,1,0,0,0,0|2,0,0]=4 4266 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [1,1,0,0,0,0|2,0,0]=4 4267 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4268 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [1,1,0,0,0,0|2,0,0]=4 4269 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [1,1,0,0,0,0|2,0,0]=4 4270 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [1,1,0,0,0,0|2,0,0]=4 4271 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [1,1,0,0,0,0|2,0,0]=4 4272 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [1,1,0,0,0,0|2,0,0]=4 4273 B12R1.1 C[n+]1ccc(cc1)COCC=O 34a_100009831711_200009817547 [1,1,0,0,0,0|2,0,0]=4 4274 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [1,1,0,0,0,0|2,0,0]=4 4275 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [1,1,0,0,0,0|2,0,0]=4 4276 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [1,1,0,0,0,0|2,0,0]=4 4277 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [1,1,0,0,0,0|2,0,0]=4 4278 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [1,1,0,0,0,0|1,0,0]=3 4279 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [1,1,0,0,0,0|1,0,0]=3 4280 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [1,1,0,0,0,0|1,0,1]=4 4281 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [1,1,0,0,0,0|1,0,1]=4 4282 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [1,1,0,0,0,0|1,0,1]=4 4283 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [1,1,0,0,0,0|1,0,1]=4 4284 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [1,1,0,0,0,0|1,0,1]=4 4285 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [1,1,0,0,0,0|1,0,1]=4 4286 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [1,1,0,0,0,0|1,0,0]=3 4287 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [1,1,0,0,0,0|1,0,0]=3 4288 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [1,1,0,0,0,0|1,0,1]=4 4289 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [1,1,0,0,0,0|1,0,1]=4 4290 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [1,1,0,0,0,0|1,0,0]=3 4291 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [1,1,0,0,0,0|1,0,0]=3 4292 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [1,1,0,0,0,0|1,0,1]=4 4293 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [1,1,0,0,0,0|1,0,1]=4 4294 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [1,1,0,0,0,0|1,0,1]=4 4295 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [1,1,0,0,0,0|1,0,1]=4 4296 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [1,1,0,0,0,0|1,0,1]=4 4297 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [1,1,0,0,0,0|1,0,1]=4 4298 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [1,1,0,0,0,0|1,0,1]=4 4299 B12R1.1 Cc1ccc(cn1)CNCC=O 34a_100000740942_200009817547 [1,1,0,0,0,0|2,0,0]=4 4300 B12R1.1 Cc1ccc(cn1)COCC=O 34a_100011248133_200009817547 [1,1,0,0,0,0|2,0,0]=4 4301 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_100016987292_200015260668 [1,1,0,0,0,0|2,0,0]=4 4302 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_200015260668_100016987292 [1,1,0,0,0,0|2,0,0]=4 4303 B12R1.1 Cc1ccc(nc1)CNCC=O 34a_100015187455_200009817547 [1,1,0,0,0,0|2,0,0]=4 4304 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [1,1,0,0,0,0|2,0,0]=4 4305 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_100000691093_200015260668 [1,1,0,0,0,0|2,0,0]=4 4306 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_200015260668_100000691093 [1,1,0,0,0,0|2,0,0]=4 4307 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [1,1,0,0,0,0|1,0,0]=3 4308 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [1,1,0,0,0,0|1,0,1]=4 4309 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [1,1,0,0,0,0|1,0,1]=4 4310 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [1,1,0,0,0,0|1,0,1]=4 4311 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [1,1,0,0,0,0|1,0,1]=4 4312 B12R1.1 Nc1ccc(cn1)COCC=O 34a_100000704267_200009817547 [1,1,0,0,0,0|2,0,0]=4 4313 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [1,1,0,0,0,0|2,0,0]=4 4314 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [1,1,0,0,0,0|1,0,0]=3 4315 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [1,1,0,0,0,0|1,0,0]=3 4316 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [1,1,0,0,0,0|1,0,0]=3 4317 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [1,1,0,0,0,0|1,0,0]=3 4318 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [1,1,0,0,0,0|1,0,0]=3 4319 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [1,1,0,0,0,0|1,0,0]=3 4320 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [1,1,0,0,0,0|1,0,0]=3 4321 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [1,1,0,0,0,0|1,0,0]=3 4322 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|1,0,0]=3 4323 B12R1.1 O=CCNCc1ccc(cn1)Br 34a_100015188789_200009817547 [1,1,0,0,0,0|2,0,0]=4 4324 B12R1.1 O=CCNCc1ccc(cn1)Cl 34a_100000697193_200009817547 [1,1,0,0,0,0|2,0,0]=4 4325 B12R1.1 O=CCNCc1ccc(cn1)F 34a_100020620131_200009817547 [1,1,0,0,0,0|2,0,0]=4 4326 B12R1.1 O=CCNCc1ccc(nc1)Br 2230a_100009817727_200015260668 [1,1,0,0,0,0|2,0,0]=4 4327 B12R1.1 O=CCNCc1ccc(nc1)Br 34a_100009817727_200009817547 [1,1,0,0,0,0|2,0,0]=4 4328 B12R1.1 O=CCNCc1ccc(nc1)Cl 2230a_100000735879_200015260668 [1,1,0,0,0,0|2,0,0]=4 4329 B12R1.1 O=CCNCc1ccc(nc1)Cl 34a_100000735879_200009817547 [1,1,0,0,0,0|2,0,0]=4 4330 B12R1.1 O=CCNCc1ccc(nc1)F 2230a_100000101913_200015260668 [1,1,0,0,0,0|2,0,0]=4 4331 B12R1.1 O=CCNCc1ccc(nc1)F 34a_100000101913_200009817547 [1,1,0,0,0,0|2,0,0]=4 4332 B12R1.1 O=CCNCc1ccc(nc1)O 2230a_100000757128_200015260668 [1,1,0,0,0,0|2,0,0]=4 4333 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_200009817547 [1,1,0,0,0,0|2,0,0]=4 4334 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_200015260668 [1,1,0,0,0,0|2,0,0]=4 4335 B12R1.1 O=CCOCc1ccc(=O)[nH]c1 34a_100011999846_200009817547 [1,1,0,0,0,0|2,0,0]=4 4336 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [1,1,0,0,0,0|1,0,0]=3 4337 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [1,1,0,0,0,0|1,0,0]=3 4338 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [1,1,0,0,0,0|1,0,0]=3 4339 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [1,1,0,0,0,0|1,0,0]=3 4340 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [1,1,0,0,0,0|1,0,0]=3 4341 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [1,1,0,0,0,0|1,0,0]=3 4342 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [1,1,0,0,0,0|1,0,0]=3 4343 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [1,1,0,0,0,0|2,0,0]=4 4344 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [1,1,0,0,0,0|2,0,0]=4 4345 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [1,1,0,0,0,0|2,0,0]=4 4346 B12R1.1 O=CCOCc1ccc(nc1)Br 34a_100009816760_200009817547 [1,1,0,0,0,0|2,0,0]=4 4347 B12R1.1 O=CCOCc1ccc(nc1)Br 7a_100009816760_200015260668 [1,1,0,0,0,0|2,0,0]=4 4348 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [1,1,0,0,0,0|2,0,0]=4 4349 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [1,1,0,0,0,0|2,0,0]=4 4350 B12R1.1 O=CCOCc1ccc(nc1)F 34a_100000079959_200009817547 [1,1,0,0,0,0|2,0,0]=4 4351 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [1,1,0,0,0,0|1,0,0]=3 4352 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [1,1,0,0,0,0|1,0,0]=3 4353 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [1,1,0,0,0,0|1,0,0]=3 4354 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [1,1,0,0,0,0|1,0,0]=3 4355 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [1,1,0,0,0,0|1,0,0]=3 4356 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [1,1,0,0,0,0|1,0,0]=3 4357 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [1,1,0,0,0,0|1,0,0]=3 4358 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [1,1,0,0,0,0|1,0,0]=3 4359 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_100000702658_200015260668 [1,1,0,0,0,0|2,0,0]=4 4360 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_200015260668_100000702658 [1,1,0,0,0,0|2,0,0]=4 4361 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_100012066911_200015260668 [1,1,0,0,0,0|2,0,0]=4 4362 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_200015260668_100000697101 [1,1,0,0,0,0|2,0,0]=4 4363 B12R1.1 O=CCSCc1ccc(cn1)F 62a_100000703193_200015260668 [1,1,0,0,0,0|2,0,0]=4 4364 B12R1.1 O=CCSCc1ccc(cn1)F 62a_200015260668_100000703193 [1,1,0,0,0,0|2,0,0]=4 4365 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_100009831999_200015260668 [1,1,0,0,0,0|2,0,0]=4 4366 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_200015260668_100009831999 [1,1,0,0,0,0|2,0,0]=4 4367 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_100000735431_200015260668 [1,1,0,0,0,0|2,0,0]=4 4368 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_200015260668_100000735431 [1,1,0,0,0,0|2,0,0]=4 4369 B12R1.1 O=CCSCc1ccc(nc1)F 62a_100009820150_200015260668 [1,1,0,0,0,0|2,0,0]=4 4370 B12R1.1 O=CCSCc1ccc(nc1)F 62a_200015260668_100000099788 [1,1,0,0,0,0|2,0,0]=4 4371 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|1,0,0]=3 4372 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [1,1,0,0,0,0|1,0,1]=4 4373 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [1,1,0,0,0,0|1,0,1]=4 4374 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [1,1,0,0,0,0|1,0,1]=4 4375 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [1,1,0,0,0,0|1,0,1]=4 4376 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [1,1,0,0,0,0|1,0,1]=4 4377 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [1,1,0,0,0,0|1,0,1]=4 4378 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [1,1,0,0,0,0|1,0,1]=4 4379 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [1,1,0,0,0,0|1,0,1]=4 4380 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [1,1,0,0,0,0|1,0,1]=4 4381 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [1,1,0,0,0,0|1,0,1]=4 4382 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [1,1,0,0,0,0|1,0,1]=4 4383 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [1,1,0,0,0,0|1,0,1]=4 4384 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [1,1,0,0,0,0|1,0,1]=4 4385 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [1,1,0,0,0,0|1,0,1]=4 4386 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [1,1,0,0,0,0|1,0,1]=4 4387 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [1,1,0,0,0,0|1,0,1]=4 4388 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [1,1,0,0,0,0|1,0,1]=4 4389 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [1,1,0,0,0,0|1,0,1]=4 4390 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [1,1,0,0,0,0|1,0,1]=4 4391 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [1,1,0,0,0,0|1,0,1]=4 4392 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [1,1,0,0,0,0|1,0,1]=4 4393 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [1,1,0,0,0,0|1,0,1]=4 4394 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [1,1,0,0,0,0|1,0,1]=4 4395 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [1,1,0,0,0,0|1,0,1]=4 4396 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [1,1,0,0,0,0|1,0,1]=4 4397 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [1,1,0,0,0,0|1,0,1]=4 4398 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [1,1,0,0,0,0|1,0,1]=4 4399 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [1,1,0,0,0,0|1,0,1]=4 4400 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [1,1,0,0,0,0|1,0,1]=4 4401 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [1,1,0,0,0,0|1,0,1]=4 4402 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [1,1,0,0,0,0|1,0,1]=4 4403 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [1,1,0,0,0,0|1,0,1]=4 4404 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [1,1,0,0,0,0|1,0,1]=4 4405 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [1,1,0,0,0,0|1,0,1]=4 4406 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [1,1,0,0,0,0|1,0,1]=4 4407 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [1,1,0,0,0,0|1,0,1]=4 4408 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [1,1,0,0,0,0|1,0,1]=4 4409 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [1,1,0,0,0,0|1,0,1]=4 4410 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [1,1,0,0,0,0|1,0,1]=4 4411 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [1,1,0,0,0,0|1,0,1]=4 4412 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [1,1,0,0,0,0|1,0,1]=4 4413 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [1,1,0,0,0,0|1,0,1]=4 4414 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [1,1,0,0,0,0|1,0,1]=4 4415 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [1,1,0,0,0,0|1,0,1]=4 4416 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [1,1,0,0,0,0|1,0,1]=4 4417 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [1,1,0,0,0,0|1,0,1]=4 4418 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [1,1,0,0,0,0|1,0,1]=4 4419 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [1,1,0,0,0,0|1,0,1]=4 4420 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [1,1,0,0,0,0|1,0,1]=4 4421 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [1,1,0,0,0,0|1,0,1]=4 4422 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [1,1,0,0,0,0|1,0,1]=4 4423 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [1,1,0,0,0,0|1,0,1]=4 4424 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [1,1,0,0,0,0|1,0,1]=4 4425 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [1,1,0,0,0,0|1,0,1]=4 4426 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [1,1,0,0,0,0|1,0,1]=4 4427 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [1,1,0,0,0,0|1,0,1]=4 4428 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [1,1,0,0,0,0|1,0,1]=4 4429 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [1,1,0,0,0,0|1,0,1]=4 4430 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [1,1,0,0,0,0|1,0,1]=4 4431 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [1,1,0,0,0,0|1,0,1]=4 4432 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [1,1,0,0,0,0|1,0,1]=4 4433 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [1,1,0,0,0,0|1,0,1]=4 4434 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4435 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4436 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [1,1,0,0,0,0|2,0,0]=4 4437 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [1,1,0,0,0,0|2,0,0]=4 4438 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [1,1,0,0,0,0|2,0,0]=4 4439 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [1,1,0,0,0,0|2,0,0]=4 4440 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [1,1,0,0,0,0|2,0,0]=4 4441 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [1,1,0,0,0,0|2,0,0]=4 4442 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4443 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4444 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [1,1,0,0,0,0|2,0,0]=4 4445 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [1,1,0,0,0,0|2,0,0]=4 4446 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4447 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [1,1,0,0,0,0|2,0,0]=4 4448 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [1,1,0,0,0,0|2,0,0]=4 4449 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [1,1,0,0,0,0|2,0,0]=4 4450 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [1,1,0,0,0,0|2,0,0]=4 4451 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [1,1,0,0,0,0|2,0,0]=4 4452 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [1,1,0,0,0,0|1,0,1]=4 4453 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [1,1,0,0,0,0|1,0,1]=4 4454 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [1,1,0,0,0,0|1,0,1]=4 4455 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [1,1,0,0,0,0|1,0,1]=4 4456 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [1,1,0,0,0,0|1,0,1]=4 4457 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [1,1,0,0,0,0|1,0,1]=4 4458 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [1,1,0,0,0,0|1,0,1]=4 4459 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [1,1,0,0,0,0|1,0,1]=4 4460 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [1,1,0,0,0,0|1,0,1]=4 4461 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [1,1,0,0,0,0|1,0,1]=4 4462 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [1,1,0,0,0,0|1,0,1]=4 4463 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [1,1,0,0,0,0|1,0,1]=4 4464 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [1,1,0,0,0,0|1,0,1]=4 4465 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [1,1,0,0,0,0|1,0,1]=4 4466 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [1,1,0,0,0,0|1,0,1]=4 4467 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [1,1,0,0,0,0|1,0,1]=4 4468 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [1,1,0,0,0,0|1,0,1]=4 4469 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [1,1,0,0,0,0|1,0,1]=4 4470 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [1,1,0,0,0,0|1,0,1]=4 4471 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [1,1,0,0,0,0|1,0,1]=4 4472 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [1,1,0,0,0,0|1,0,1]=4 4473 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [1,1,0,0,0,0|1,0,1]=4 4474 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [1,1,0,0,0,0|1,0,1]=4 4475 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [1,1,0,0,0,0|1,0,1]=4 4476 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [1,1,0,0,0,0|1,0,1]=4 4477 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [1,1,0,0,0,0|1,0,1]=4 4478 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [1,1,0,0,0,0|1,0,1]=4 4479 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [1,1,0,0,0,0|1,0,1]=4 4480 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [1,1,0,0,0,0|1,0,0]=3 4481 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [1,1,0,0,0,0|1,0,0]=3 4482 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [1,1,0,0,0,0|1,0,0]=3 4483 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [1,1,0,0,0,0|2,0,0]=4 4484 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [1,1,0,0,0,0|2,0,0]=4 4485 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [1,1,0,0,0,0|2,0,0]=4 4486 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [1,1,0,0,0,0|1,0,0]=3 4487 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [1,1,0,0,0,0|1,0,0]=3 4488 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [1,1,0,0,0,0|2,0,0]=4 4489 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [1,1,0,0,0,0|2,0,0]=4 4490 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [1,1,0,0,0,0|2,0,0]=4 4491 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [1,1,0,0,0,0|2,0,0]=4 4492 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [1,1,0,0,0,0|2,0,0]=4 4493 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [1,1,0,0,0,0|2,0,0]=4 4494 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [1,1,0,0,0,0|1,0,0]=3 4495 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [1,1,0,0,0,0|1,0,0]=3 4496 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [1,1,0,0,0,0|1,0,0]=3 4497 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [1,1,0,0,0,0|1,0,0]=3 4498 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [1,1,0,0,0,0|1,0,0]=3 4499 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [1,1,0,0,0,0|2,0,0]=4 4500 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [1,1,0,0,0,0|2,0,0]=4 4501 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [1,1,0,0,0,0|2,0,0]=4 4502 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [1,1,0,0,0,0|2,0,0]=4 4503 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [1,1,0,0,0,0|2,0,0]=4 4504 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [1,1,0,0,0,0|2,0,0]=4 4505 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [1,1,0,0,0,0|2,0,0]=4 4506 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [1,1,0,0,0,0|2,0,0]=4 4507 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [1,1,0,0,0,0|1,0,0]=3 4508 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [1,1,0,0,0,0|1,0,0]=3 4509 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [1,1,0,0,0,0|1,0,0]=3 4510 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [1,1,0,0,0,0|2,0,0]=4 4511 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [1,1,0,0,0,0|2,0,0]=4 4512 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [1,1,0,0,0,0|1,0,0]=3 4513 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [1,1,0,0,0,0|1,0,0]=3 4514 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [1,1,0,0,0,0|2,0,0]=4 4515 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [1,1,0,0,0,0|2,0,0]=4 4516 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [1,1,0,0,0,0|2,0,0]=4 4517 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [1,1,0,0,0,0|2,0,0]=4 4518 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [1,1,0,0,0,0|2,0,0]=4 4519 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [1,1,0,0,0,0|2,0,0]=4 4520 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [1,1,0,0,0,0|1,0,0]=3 4521 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [1,1,0,0,0,0|1,0,0]=3 4522 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [1,1,0,0,0,0|1,0,0]=3 4523 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [1,1,0,0,0,0|2,0,0]=4 4524 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [1,1,0,0,0,0|2,0,0]=4 4525 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [1,1,0,0,0,0|2,0,0]=4 4526 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [1,1,0,0,0,0|2,0,0]=4 4527 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [1,1,0,0,0,0|2,0,0]=4 4528 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [1,1,0,0,0,0|1,0,0]=3 4529 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [1,1,0,0,0,0|1,0,0]=3 4530 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [1,1,0,0,0,0|1,0,0]=3 4531 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [1,1,0,0,0,0|2,0,0]=4 4532 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [1,1,0,0,0,0|2,0,0]=4 4533 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [1,1,0,0,0,0|2,0,0]=4 4534 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [1,1,0,0,0,0|1,0,0]=3 4535 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [1,1,0,0,0,0|1,0,0]=3 4536 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [1,1,0,0,0,0|2,0,0]=4 4537 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [1,1,0,0,0,0|2,0,0]=4 4538 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [1,1,0,0,0,0|2,0,0]=4 4539 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [1,1,0,0,0,0|2,0,0]=4 4540 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [1,1,0,0,0,0|2,0,0]=4 4541 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [1,1,0,0,0,0|2,0,0]=4 4542 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [1,1,0,0,0,0|2,0,0]=4 4543 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [1,1,0,0,0,0|2,0,0]=4 4544 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [1,1,0,0,0,0|2,0,0]=4 4545 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [1,1,0,0,0,0|2,0,0]=4 4546 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [1,1,0,0,0,0|2,0,0]=4 4547 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [1,1,0,0,0,0|2,0,0]=4 4548 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [1,1,0,0,0,0|2,0,0]=4 4549 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [1,1,0,0,0,0|1,0,1]=4 4550 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [1,1,0,0,0,0|1,0,1]=4 4551 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [1,1,0,0,0,0|1,0,1]=4 4552 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [1,1,0,0,0,0|1,0,1]=4 4553 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [1,1,0,0,0,0|1,0,1]=4 4554 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [1,1,0,0,0,0|1,0,1]=4 4555 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [1,1,0,0,0,0|2,0,0]=4 4556 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [1,1,0,0,0,0|1,0,1]=4 4557 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [1,1,0,0,0,0|1,0,1]=4 4558 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [1,1,0,0,0,0|1,0,1]=4 4559 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [1,1,0,0,0,0|1,0,1]=4 4560 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [1,1,0,0,0,0|1,0,1]=4 4561 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [1,1,0,0,0,0|1,0,1]=4 4562 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [1,1,0,0,0,0|1,0,1]=4 4563 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [1,1,0,0,0,0|1,0,1]=4 4564 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [1,1,0,0,0,0|1,0,1]=4 4565 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [1,1,0,0,0,0|1,0,1]=4 4566 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [1,1,0,0,0,0|1,0,1]=4 4567 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [1,1,0,0,0,0|1,0,1]=4 4568 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [1,1,0,0,0,0|1,0,1]=4 4569 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [1,1,0,0,0,0|1,0,1]=4 4570 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [1,1,0,0,0,0|1,0,1]=4 4571 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [1,1,0,0,0,0|1,0,1]=4 4572 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [1,1,0,0,0,0|1,0,1]=4 4573 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 4574 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 4575 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [1,1,0,0,0,0|1,0,1]=4 4576 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [1,1,0,0,0,0|1,0,1]=4 4577 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [1,1,0,0,0,0|1,0,1]=4 4578 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [1,1,0,0,0,0|1,0,1]=4 4579 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [1,1,0,0,0,0|1,0,1]=4 4580 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 4581 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [1,1,0,0,0,0|1,0,1]=4 4582 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 4583 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,1,0,0,0,0|1,0,1]=4 4584 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,1,0,0,0,0|1,0,1]=4 4585 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,1,0,0,0,0|1,0,1]=4 4586 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [1,1,0,0,0,0|1,0,1]=4 4587 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [1,1,0,0,0,0|1,0,1]=4 4588 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [1,1,0,0,0,0|1,0,1]=4 4589 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [1,1,0,0,0,0|1,0,1]=4 4590 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [1,1,0,0,0,0|1,0,1]=4 4591 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [1,1,0,0,0,0|1,0,1]=4 4592 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [1,1,0,0,0,0|1,0,1]=4 4593 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [1,1,0,0,0,0|2,0,0]=4 4594 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [1,1,0,0,0,0|2,0,0]=4 4595 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [1,1,0,0,0,0|2,0,0]=4 4596 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [1,1,0,0,0,0|2,0,0]=4 4597 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [1,1,0,0,0,0|2,0,0]=4 4598 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [1,1,0,0,0,0|2,0,0]=4 4599 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [1,1,0,0,0,0|2,0,0]=4 4600 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [1,1,0,0,0,0|2,0,0]=4 4601 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [1,1,0,0,0,0|2,0,0]=4 4602 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [1,1,0,0,0,0|2,0,0]=4 4603 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [1,1,0,0,0,0|2,0,0]=4 4604 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [1,1,0,0,0,0|2,0,0]=4 4606 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [1,1,0,0,0,0|2,0,0]=4 4607 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [1,1,0,0,0,0|2,0,0]=4 4608 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [1,1,0,0,0,0|2,0,0]=4 4609 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [1,1,0,0,0,0|2,0,0]=4 4610 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [1,1,0,0,0,0|2,0,0]=4 4611 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [1,1,0,0,0,0|2,0,0]=4 4612 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,1,0,0,0,0|0,0,1]=3 4613 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,1,0,0,0,0|0,0,1]=3 4614 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,1,0,0,0,0|0,0,1]=3 4615 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [1,1,0,0,0,0|1,0,1]=4 4616 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [1,1,0,0,0,0|1,0,1]=4 4617 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [1,1,0,0,0,0|1,0,1]=4 4618 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [1,1,0,0,0,0|1,0,1]=4 4619 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [1,1,0,0,0,0|1,0,1]=4 4620 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 4621 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [1,1,0,0,0,0|1,0,1]=4 4622 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4623 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [1,1,0,0,0,0|1,0,1]=4 4624 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [1,1,0,0,0,0|1,0,1]=4 4625 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4626 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [1,1,0,0,0,0|1,0,1]=4 4627 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [1,1,0,0,0,0|1,0,1]=4 4628 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [1,1,0,0,0,0|1,0,1]=4 4629 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [1,1,0,0,0,0|1,0,1]=4 4630 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [1,1,0,0,0,0|1,0,1]=4 4631 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [1,1,0,0,0,0|1,0,1]=4 4632 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [1,1,0,0,0,0|1,0,1]=4 4633 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [1,1,0,0,0,0|1,0,1]=4 4634 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [1,1,0,0,0,0|1,0,1]=4 4635 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [1,1,0,0,0,0|1,0,1]=4 4636 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [1,1,0,0,0,0|1,0,1]=4 4637 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [1,1,0,0,0,0|1,0,1]=4 4638 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [1,1,0,0,0,0|1,0,1]=4 4639 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [1,1,0,0,0,0|1,0,1]=4 4640 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [1,1,0,0,0,0|1,0,1]=4 4641 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [1,1,0,0,0,0|1,0,1]=4 4642 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [1,1,0,0,0,0|1,0,1]=4 4643 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [1,1,0,0,0,0|1,0,1]=4 4644 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [1,1,0,0,0,0|1,0,1]=4 4645 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [1,1,0,0,0,0|1,0,1]=4 4646 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [1,1,0,0,0,0|1,0,1]=4 4647 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [1,1,0,0,0,0|1,0,1]=4 4648 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [1,1,0,0,0,0|1,0,1]=4 4649 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [1,1,0,0,0,0|0,1,1]=4 4650 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [1,1,0,0,0,0|0,1,1]=4 4651 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [1,1,0,0,0,0|2,0,0]=4 4652 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [1,1,0,0,0,0|2,0,0]=4 4653 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [1,1,0,0,0,0|2,0,0]=4 4654 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [1,1,0,0,0,0|2,0,0]=4 4655 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [1,1,0,0,0,0|2,0,0]=4 4656 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [1,1,0,0,0,0|2,0,0]=4 4657 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [1,1,0,0,0,0|2,0,0]=4 4658 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [1,1,0,0,0,0|2,0,0]=4 4659 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [1,1,0,0,0,0|2,0,0]=4 4660 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [1,1,0,0,0,0|2,0,0]=4 4661 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [1,1,0,0,0,0|2,0,0]=4 4662 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [1,1,0,0,0,0|2,0,0]=4 4663 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [1,1,0,0,0,0|2,0,0]=4 4664 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [1,1,0,0,0,0|2,0,0]=4 4665 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [1,1,0,0,0,0|2,0,0]=4 4666 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [1,1,0,0,0,0|2,0,0]=4 4667 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [1,1,0,0,0,0|2,0,0]=4 4668 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [1,1,0,0,0,0|2,0,0]=4 4669 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [1,1,0,0,0,0|2,0,0]=4 4670 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [1,1,0,0,0,0|2,0,0]=4 4671 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [1,1,0,0,0,0|2,0,0]=4 4672 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [1,1,0,0,0,0|2,0,0]=4 4673 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [1,1,0,0,0,0|2,0,0]=4 4674 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [1,1,0,0,0,0|2,0,0]=4 4675 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [1,1,0,0,0,0|1,0,1]=4 4676 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [1,1,0,0,0,0|1,0,1]=4 4677 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [1,1,0,0,0,0|1,0,1]=4 4678 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [1,1,0,0,0,0|1,0,1]=4 4679 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [1,1,0,0,0,0|1,0,1]=4 4680 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [1,1,0,0,0,0|1,0,1]=4 4681 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [1,1,0,0,0,0|1,0,1]=4 4682 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [1,1,0,0,0,0|1,0,1]=4 4683 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [1,1,0,0,0,0|1,0,1]=4 4684 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [1,1,0,0,0,0|1,0,1]=4 4685 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [1,1,0,0,0,0|1,0,1]=4 4686 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [1,1,0,0,0,0|1,0,1]=4 4687 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [1,1,0,0,0,0|1,0,1]=4 4688 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [1,1,0,0,0,0|1,0,1]=4 4689 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [1,1,0,0,0,0|1,0,1]=4 4690 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [1,1,0,0,0,0|1,0,1]=4 4691 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [1,1,0,0,0,0|1,0,1]=4 4692 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [1,1,0,0,0,0|1,0,1]=4 4693 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [1,1,0,0,0,0|1,0,1]=4 4694 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [1,1,0,0,0,0|1,0,1]=4 4695 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [1,1,0,0,0,0|1,0,1]=4 4696 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [1,1,0,0,0,0|1,0,1]=4 4697 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [1,1,0,0,0,0|1,0,1]=4 4698 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [1,1,0,0,0,0|1,0,1]=4 4699 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [1,1,0,0,0,0|1,0,1]=4 4700 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [1,1,0,0,0,0|1,0,1]=4 4701 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [1,1,0,0,0,0|1,0,1]=4 4702 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [1,1,0,0,0,0|1,0,1]=4 4703 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [1,1,0,0,0,0|1,0,1]=4 4704 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [1,1,0,0,0,0|1,0,1]=4 4705 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [1,1,0,0,0,0|1,0,1]=4 4706 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [1,1,0,0,0,0|1,0,1]=4 4707 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [1,1,0,0,0,0|1,0,1]=4 4708 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [1,1,0,0,0,0|1,0,1]=4 4709 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [1,1,0,0,0,0|1,0,1]=4 4710 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [1,1,0,0,0,0|1,0,1]=4 4711 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [1,1,0,0,0,0|1,0,1]=4 4712 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [1,1,0,0,0,0|1,0,1]=4 4713 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [1,1,0,0,0,0|1,0,1]=4 4714 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [1,1,0,0,0,0|1,0,1]=4 4715 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [1,1,0,0,0,0|1,0,1]=4 4716 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [1,1,0,0,0,0|1,0,1]=4 4717 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [1,1,0,0,0,0|1,0,1]=4 4718 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [1,1,0,0,0,0|1,0,1]=4 4719 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [1,1,0,0,0,0|0,0,0]=2 4720 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [1,1,0,0,0,0|1,0,0]=3 4721 B12R1.8 O=CCCCOc1cncnc1 7a_100000754086_200011292268 [1,1,0,0,0,0|2,0,0]=4 4722 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [1,1,0,0,0,0|0,0,0]=2 4723 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [1,1,0,0,0,0|0,0,0]=2 4724 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [1,1,0,0,0,0|1,0,0]=3 4725 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [1,1,0,0,0,0|1,0,0]=3 4726 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [1,1,0,0,0,0|1,0,0]=3 4727 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [1,1,0,0,0,0|1,0,0]=3 4728 B12R1.8 O=CCCCSc1cccnn1 62a_100016991348_200011292268 [1,1,0,0,0,0|2,0,0]=4 4729 B12R1.8 O=CCCCSc1cccnn1 62a_200011292268_100016991348 [1,1,0,0,0,0|2,0,0]=4 4730 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [1,1,0,0,0,0|1,0,0]=3 4731 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [1,1,0,0,0,0|1,0,0]=3 4732 B12R1.8 O=CCCCSc1ccncn1 62a_100000703185_200011292268 [1,1,0,0,0,0|2,0,0]=4 4733 B12R1.8 O=CCCCSc1ccncn1 62a_200011292268_100000703185 [1,1,0,0,0,0|2,0,0]=4 4734 B12R1.8 O=CCCCSc1ccnnc1 62a_100000732662_200011292268 [1,1,0,0,0,0|2,0,0]=4 4735 B12R1.8 O=CCCCSc1ccnnc1 62a_200011292268_100000732662 [1,1,0,0,0,0|2,0,0]=4 4736 B12R1.8 O=CCCCSc1cnccn1 62a_100000211759_200011292268 [1,1,0,0,0,0|2,0,0]=4 4737 B12R1.8 O=CCCCSc1cnccn1 62a_200011292268_100000211759 [1,1,0,0,0,0|2,0,0]=4 4738 B12R1.8 O=CCCCSc1cncnc1 62a_100011206942_200011292268 [1,1,0,0,0,0|2,0,0]=4 4739 B12R1.8 O=CCCCSc1cncnc1 62a_200011292268_100011206942 [1,1,0,0,0,0|2,0,0]=4 4740 B12R1.8 O=CCCCSc1ncccn1 62a_100000211032_200011292268 [1,1,0,0,0,0|2,0,0]=4 4741 B12R1.8 O=CCCCSc1ncccn1 62a_200011292268_100000211032 [1,1,0,0,0,0|2,0,0]=4 4742 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [1,1,0,0,0,0|0,0,0]=2 4743 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [1,1,0,0,0,0|0,0,0]=2 4744 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [1,1,0,0,0,0|1,0,0]=3 4745 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [1,1,0,0,0,0|0,0,0]=2 4746 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [1,1,0,0,0,0|0,0,0]=2 4747 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [1,1,0,0,0,0|1,0,0]=3 4748 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [1,1,0,0,0,0|1,0,0]=3 4749 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [1,1,0,0,0,0|1,0,0]=3 4750 B12R1.8 O=CCOCCc1cnccn1 34a_100011349526_200009817547 [1,1,0,0,0,0|2,0,0]=4 4751 B12R1.8 O=CCOCCc1cncnc1 34a_100011709255_200009817547 [1,1,0,0,0,0|2,0,0]=4 4752 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [1,1,0,0,0,0|0,0,0]=2 4753 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [1,1,0,0,0,0|0,0,0]=2 4754 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [1,1,0,0,0,0|1,0,0]=3 4755 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [1,1,0,0,0,0|1,0,0]=3 4756 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [1,1,0,0,0,0|1,0,0]=3 4757 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [1,1,0,0,0,0|1,0,0]=3 4758 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [1,1,0,0,0,0|1,0,0]=3 4759 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [1,1,0,0,0,0|1,0,0]=3 4760 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [1,1,0,0,0,0|1,0,0]=3 4761 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [1,1,0,0,0,0|1,0,0]=3 4762 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [1,1,0,0,0,0|0,0,1]=3 4763 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [1,1,0,0,0,0|0,0,1]=3 4764 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [1,1,0,0,0,0|0,0,1]=3 4765 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [1,1,0,0,0,0|1,0,1]=4 4766 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [1,1,0,0,0,0|1,0,1]=4 4767 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [1,1,0,0,0,0|1,0,1]=4 4768 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [1,1,0,0,0,0|0,0,1]=3 4769 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [1,1,0,0,0,0|0,0,1]=3 4770 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [1,1,0,0,0,0|1,0,1]=4 4771 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [1,1,0,0,0,0|1,0,1]=4 4772 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [1,1,0,0,0,0|1,0,1]=4 4773 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [1,1,0,0,0,0|1,0,1]=4 4774 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [1,1,0,0,0,0|1,0,1]=4 4775 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [1,1,0,0,0,0|1,0,1]=4 4776 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [1,1,0,0,0,0|0,0,1]=3 4777 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [1,1,0,0,0,0|0,0,1]=3 4778 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [1,1,0,0,0,0|0,0,1]=3 4779 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [1,1,0,0,0,0|0,0,1]=3 4780 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [1,1,0,0,0,0|1,0,1]=4 4781 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [1,1,0,0,0,0|1,0,1]=4 4782 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [1,1,0,0,0,0|1,0,1]=4 4783 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [1,1,0,0,0,0|1,0,1]=4 4784 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [1,1,0,0,0,0|1,0,1]=4 4785 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [1,1,0,0,0,0|0,0,1]=3 4786 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [1,1,0,0,0,0|0,0,1]=3 4787 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [1,1,0,0,0,0|0,0,1]=3 4788 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [1,1,0,0,0,0|0,0,1]=3 4789 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [1,1,0,0,0,0|1,0,1]=4 4790 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [1,1,0,0,0,0|1,0,1]=4 4791 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [1,1,0,0,0,0|1,0,1]=4 4792 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [1,1,0,0,0,0|1,0,1]=4 4793 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [1,1,0,0,0,0|1,0,1]=4 4794 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [1,1,0,0,0,0|1,0,1]=4 4795 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [1,1,0,0,0,0|0,0,1]=3 4796 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [1,1,0,0,0,0|0,0,1]=3 4797 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [1,1,0,0,0,0|0,0,1]=3 4798 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [1,1,0,0,0,0|0,0,1]=3 4799 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [1,1,0,0,0,0|1,0,1]=4 4800 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [1,1,0,0,0,0|1,0,1]=4 4801 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [1,1,0,0,0,0|1,0,1]=4 4802 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [1,1,0,0,0,0|1,0,1]=4 4803 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [1,1,0,0,0,0|1,0,1]=4 4804 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [1,1,0,0,0,0|0,0,1]=3 4805 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [1,1,0,0,0,0|0,0,1]=3 4806 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [1,1,0,0,0,0|1,0,1]=4 4807 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [1,1,0,0,0,0|1,0,1]=4 4808 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [1,1,0,0,0,0|1,0,1]=4 4809 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [1,1,0,0,0,0|0,0,1]=3 4810 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [1,1,0,0,0,0|0,0,1]=3 4811 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [1,1,0,0,0,0|1,0,1]=4 4812 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [1,1,0,0,0,0|1,0,1]=4 4813 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [1,1,0,0,0,0|1,0,1]=4 4814 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [1,1,0,0,0,0|1,0,1]=4 4815 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [1,1,0,0,0,0|1,0,1]=4 4816 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [1,1,0,0,0,0|1,0,1]=4 4817 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [1,1,0,0,0,0|1,0,1]=4 4818 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [1,1,0,0,0,0|1,0,1]=4 4819 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [1,1,0,0,0,0|1,0,1]=4 4820 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [1,1,0,0,0,0|1,0,1]=4 4821 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [1,1,0,0,0,0|2,0,0]=4 4822 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [1,1,0,0,0,0|2,0,0]=4 4823 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [1,1,0,0,0,0|2,0,0]=4 4824 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [1,1,0,0,0,0|2,0,0]=4 4825 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [1,1,0,0,0,0|2,0,0]=4 4826 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [1,1,0,0,0,0|2,0,0]=4 4827 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [1,1,0,0,0,0|2,0,0]=4 4828 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [1,1,0,0,0,0|2,0,0]=4 4829 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,1,0,0,0,0|0,0,1]=3 4830 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,1,0,0,0,0|0,0,1]=3 4831 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [1,1,0,0,0,0|1,0,1]=4 4832 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [1,1,0,0,0,0|1,0,1]=4 4833 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [1,1,0,0,0,0|1,0,1]=4 4834 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [1,1,0,0,0,0|1,0,1]=4 4835 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 4836 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [1,1,0,0,0,0|1,0,1]=4 4837 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [1,1,0,0,0,0|1,0,1]=4 4838 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [1,1,0,0,0,0|1,0,1]=4 4839 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [1,1,0,0,0,0|1,0,1]=4 4840 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [1,1,0,0,0,0|1,0,1]=4 4841 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [1,1,0,0,0,0|1,0,1]=4 4842 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [1,1,0,0,0,0|1,0,1]=4 4843 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [1,1,0,0,0,0|0,1,1]=4 4844 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [1,1,0,0,0,0|0,1,1]=4 4845 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [1,1,0,0,0,0|2,0,0]=4 4846 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [1,1,0,0,0,0|2,0,0]=4 4847 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [1,1,0,0,0,0|2,0,0]=4 4848 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [1,1,0,0,0,0|2,0,0]=4 4849 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [1,1,0,0,0,0|2,0,0]=4 4850 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [1,1,0,0,0,0|2,0,0]=4 4851 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [1,1,0,0,0,0|2,0,0]=4 4852 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [1,1,0,0,0,0|2,0,0]=4 4853 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [1,1,0,0,0,0|1,0,1]=4 4854 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [1,1,0,0,0,0|2,0,0]=4 4855 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [1,1,0,0,0,0|2,0,0]=4 4856 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [1,1,0,0,0,0|2,0,0]=4 4857 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [1,1,0,0,0,0|2,0,0]=4 4858 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [1,1,0,0,0,0|2,0,0]=4 4859 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [1,1,0,0,0,0|2,0,0]=4 4860 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [1,1,0,0,0,0|2,0,0]=4 4861 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [1,1,0,0,0,0|2,0,0]=4 4862 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [1,1,0,0,0,0|2,0,0]=4 4863 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [1,1,0,0,0,0|1,0,1]=4 4864 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [1,1,0,0,0,0|1,0,1]=4 4865 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,1,0,0,0,0|1,0,1]=4 4866 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,1,0,0,0,0|1,0,1]=4 4867 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [1,1,0,0,0,0|1,0,1]=4 4868 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [1,1,0,0,0,0|2,0,0]=4 4869 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [1,1,0,0,0,0|2,0,0]=4 4870 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [1,1,0,0,0,0|2,0,0]=4 4871 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [1,1,0,0,0,0|2,0,0]=4 4872 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [1,1,0,0,0,0|2,0,0]=4 4873 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [1,1,0,0,0,0|2,0,0]=4 4874 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [1,1,0,0,0,0|2,0,0]=4 4875 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [1,1,0,0,0,0|1,0,1]=4 4876 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [1,1,0,0,0,0|1,0,1]=4 4877 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [1,1,0,0,0,0|1,0,1]=4 4878 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,1,0,0,0,0|1,0,1]=4 4879 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,1,0,0,0,0|1,0,1]=4 4880 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [1,1,0,0,0,0|1,0,1]=4 4881 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [1,1,0,0,0,0|1,0,1]=4 4882 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [1,1,0,0,0,0|1,0,1]=4 4883 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [1,1,0,0,0,0|1,0,1]=4 4884 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [1,1,0,0,0,0|1,0,1]=4 4885 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|0,0,2]=4 4886 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [1,1,0,0,0,0|1,0,1]=4 4887 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [1,1,0,0,0,0|1,0,1]=4 4888 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [1,1,0,0,0,0|1,0,1]=4 4889 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [1,1,0,0,0,0|1,0,1]=4 4890 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [1,1,0,0,0,0|1,0,1]=4 4891 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [1,1,0,0,0,0|1,0,1]=4 4892 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [1,1,0,0,0,0|1,0,1]=4 4893 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [1,1,0,0,0,0|1,0,1]=4 4894 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [1,1,0,0,0,0|1,0,1]=4 4895 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [1,1,0,0,0,0|1,0,1]=4 4896 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [1,1,0,0,0,0|2,0,0]=4 4897 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [1,1,0,0,0,0|2,0,0]=4 4898 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [1,1,0,0,0,0|2,0,0]=4 4899 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [1,1,0,0,0,0|2,0,0]=4 4900 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [1,1,0,0,0,0|2,0,0]=4 4901 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [1,1,0,0,0,0|2,0,0]=4 4902 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [1,1,0,0,0,0|2,0,0]=4 4903 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [1,1,0,0,0,0|2,0,0]=4 4904 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [1,1,0,0,0,0|2,0,0]=4 4905 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [1,1,0,0,0,0|2,0,0]=4 4906 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [1,1,0,0,0,0|2,0,0]=4 4907 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [1,1,0,0,0,0|2,0,0]=4 4908 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [1,1,0,0,0,0|2,0,0]=4 4909 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [1,1,0,0,0,0|2,0,0]=4 4910 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [1,1,0,0,0,0|2,0,0]=4 4911 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [1,1,0,0,0,0|2,0,0]=4 4912 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [1,1,0,0,0,0|2,0,0]=4 4913 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [1,1,0,0,0,0|2,0,0]=4 4914 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [1,1,0,0,0,0|2,0,0]=4 4915 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [1,1,0,0,0,0|2,0,0]=4 4916 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [1,1,0,0,0,0|2,0,0]=4 4917 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [1,1,0,0,0,0|2,0,0]=4 4918 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [1,1,0,0,0,0|2,0,0]=4 4919 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [1,1,0,0,0,0|2,0,0]=4 4920 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [1,1,0,0,0,0|2,0,0]=4 4921 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [1,1,0,0,0,0|2,0,0]=4 4922 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [1,1,0,0,0,0|2,0,0]=4 4923 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [1,1,0,0,0,0|2,0,0]=4 4924 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [1,1,0,0,0,0|2,0,0]=4 4925 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [1,1,0,0,0,0|2,0,0]=4 4926 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [1,1,0,0,0,0|2,0,0]=4 4927 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [1,1,0,0,0,0|2,0,0]=4 4928 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [1,1,0,0,0,0|2,0,0]=4 4929 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [1,1,0,0,0,0|2,0,0]=4 4930 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [1,1,0,0,0,0|2,0,0]=4 4931 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [1,1,0,0,0,0|2,0,0]=4 4932 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [1,1,0,0,0,0|2,0,0]=4 4933 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [1,1,0,0,0,0|2,0,0]=4 4934 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [1,1,0,0,0,0|2,0,0]=4 4935 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [1,1,0,0,0,0|2,0,0]=4 4936 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [1,1,0,0,0,0|2,0,0]=4 4937 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [1,1,0,0,0,0|2,0,0]=4 4938 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [1,1,0,0,0,0|2,0,0]=4 4939 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [1,1,0,0,0,0|2,0,0]=4 4940 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [1,1,0,0,0,0|2,0,0]=4 4941 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [1,1,0,0,0,0|2,0,0]=4 4942 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [1,1,0,0,0,0|2,0,0]=4 4943 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [1,1,0,0,0,0|2,0,0]=4 4944 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [1,1,0,0,0,0|2,0,0]=4 4945 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [1,1,0,0,0,0|2,0,0]=4 4946 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [1,1,0,0,0,0|2,0,0]=4 4947 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [1,1,0,0,0,0|2,0,0]=4 4948 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [1,1,0,0,0,0|2,0,0]=4 4949 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [1,1,0,0,0,0|2,0,0]=4 4950 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [1,1,0,0,0,0|2,0,0]=4 4951 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [1,1,0,0,0,0|2,0,0]=4 4952 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [1,1,0,0,0,0|2,0,0]=4 4953 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [1,1,0,0,0,0|2,0,0]=4 4954 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [1,1,0,0,0,0|2,0,0]=4 4955 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [1,1,0,0,0,0|2,0,0]=4 4956 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [1,1,0,0,0,0|2,0,0]=4 4957 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [1,1,0,0,0,0|2,0,0]=4 4958 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [1,1,0,0,0,0|2,0,0]=4 4959 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [1,1,0,0,0,0|2,0,0]=4 4960 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [1,1,0,0,0,0|2,0,0]=4 4961 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [1,1,0,0,0,0|2,0,0]=4 4962 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [1,1,0,0,0,0|2,0,0]=4 4963 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [1,1,0,0,0,0|2,0,0]=4 4964 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [1,1,0,0,0,0|2,0,0]=4 4965 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [1,1,0,0,0,0|2,0,0]=4 4966 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [1,1,0,0,0,0|2,0,0]=4 4967 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [1,1,0,0,0,0|2,0,0]=4 4968 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [1,1,0,0,0,0|2,0,0]=4 4969 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [1,1,0,0,0,0|2,0,0]=4 4970 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [1,1,0,0,0,0|2,0,0]=4 4971 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [1,1,0,0,0,0|2,0,0]=4 4972 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [1,1,0,0,0,0|2,0,0]=4 4973 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [1,1,0,0,0,0|2,0,0]=4 4974 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [1,1,0,0,0,0|2,0,0]=4 4975 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [1,1,0,0,0,0|2,0,0]=4 4976 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [1,1,0,0,0,0|2,0,0]=4 4977 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [1,1,0,0,0,0|2,0,0]=4 4978 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [1,1,0,0,0,0|2,0,0]=4 4979 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [1,1,0,0,0,0|2,0,0]=4 4980 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [1,1,0,0,0,0|2,0,0]=4 4981 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [1,1,0,0,0,0|2,0,0]=4 4982 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [1,1,0,0,0,0|2,0,0]=4 4983 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [1,1,0,0,0,0|2,0,0]=4 4984 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [1,1,0,0,0,0|2,0,0]=4 4985 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [1,1,0,0,0,0|2,0,0]=4 4986 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [1,1,0,0,0,0|2,0,0]=4 4987 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [1,1,0,0,0,0|2,0,0]=4 4988 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [1,1,0,0,0,0|2,0,0]=4 4989 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [1,1,0,0,0,0|2,0,0]=4 4990 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [1,1,0,0,0,0|2,0,0]=4 4991 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [1,1,0,0,0,0|2,0,0]=4 4992 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [1,1,0,0,0,0|2,0,0]=4 4993 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [1,1,0,0,0,0|2,0,0]=4 4994 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [1,1,0,0,0,0|2,0,0]=4 4995 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [1,1,0,0,0,0|2,0,0]=4 4996 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [1,1,0,0,0,0|2,0,0]=4 4997 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4998 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4999 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [1,1,0,0,0,0|2,0,0]=4 5000 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [1,1,0,0,0,0|2,0,0]=4 5001 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [1,1,0,0,0,0|2,0,0]=4 5002 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [1,1,0,0,0,0|2,0,0]=4 5003 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [1,1,0,0,0,0|2,0,0]=4 5004 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [1,1,0,0,0,0|2,0,0]=4 5005 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [1,1,0,0,0,0|2,0,0]=4 5006 B12R1.28 Cc1cc(ccn1)CNCC=O 34a_100011934566_200009817547 [1,1,0,0,0,0|2,0,0]=4 5007 B12R1.28 Cc1cc(ccn1)COCC=O 34a_100011998630_200009817547 [1,1,0,0,0,0|2,0,0]=4 5008 B12R1.28 Cc1cc(ccn1)CSCC=O 62a_200015260668_200020672517 [1,1,0,0,0,0|2,0,0]=4 5009 B12R1.28 Cc1cc(ccn1)CSCC=O 62a_200020672517_200015260668 [1,1,0,0,0,0|2,0,0]=4 5010 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [1,1,0,0,0,0|2,0,0]=4 5011 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [1,1,0,0,0,0|2,0,0]=4 5012 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [1,1,0,0,0,0|1,0,0]=3 5013 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [1,1,0,0,0,0|1,0,0]=3 5014 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [1,1,0,0,0,0|1,0,1]=4 5015 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [1,1,0,0,0,0|1,0,1]=4 5016 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [1,1,0,0,0,0|1,0,1]=4 5017 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [1,1,0,0,0,0|1,0,1]=4 5018 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [1,1,0,0,0,0|1,0,1]=4 5019 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [1,1,0,0,0,0|1,0,1]=4 5020 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [1,1,0,0,0,0|1,0,0]=3 5021 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [1,1,0,0,0,0|1,0,0]=3 5022 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [1,1,0,0,0,0|1,0,1]=4 5023 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [1,1,0,0,0,0|1,0,1]=4 5024 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [1,1,0,0,0,0|1,0,0]=3 5025 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [1,1,0,0,0,0|1,0,0]=3 5026 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [1,1,0,0,0,0|1,0,1]=4 5027 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [1,1,0,0,0,0|1,0,1]=4 5028 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [1,1,0,0,0,0|1,0,1]=4 5029 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [1,1,0,0,0,0|1,0,1]=4 5030 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [1,1,0,0,0,0|1,0,1]=4 5031 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [1,1,0,0,0,0|1,0,1]=4 5032 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [1,1,0,0,0,0|1,0,1]=4 5033 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [1,1,0,0,0,0|1,0,1]=4 5034 B12R1.28 Cc1cccc(n1)CNCC=O 34a_100000701342_200009817547 [1,1,0,0,0,0|2,0,0]=4 5035 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [1,1,0,0,0,0|2,0,0]=4 5036 B12R1.28 Cc1cccc(n1)CSCC=O 62a_100000757606_200015260668 [1,1,0,0,0,0|2,0,0]=4 5037 B12R1.28 Cc1cccc(n1)CSCC=O 62a_200015260668_100000757606 [1,1,0,0,0,0|2,0,0]=4 5038 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [1,1,0,0,0,0|2,0,0]=4 5039 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_100000718516_200015260668 [1,1,0,0,0,0|2,0,0]=4 5040 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_200015260668_100000718516 [1,1,0,0,0,0|2,0,0]=4 5041 B12R1.28 Cc1cncc(c1)CNCC=O 2230a_100000692839_200015260668 [1,1,0,0,0,0|2,0,0]=4 5042 B12R1.28 Cc1cncc(c1)CNCC=O 34a_100000692839_200009817547 [1,1,0,0,0,0|2,0,0]=4 5043 B12R1.28 Cc1cncc(c1)COCC=O 34a_100011998709_200009817547 [1,1,0,0,0,0|2,0,0]=4 5044 B12R1.28 Cc1cncc(c1)COCC=O 7a_100011998709_200015260668 [1,1,0,0,0,0|2,0,0]=4 5045 B12R1.28 Cc1cncc(c1)CSCC=O 62a_100000716715_200015260668 [1,1,0,0,0,0|2,0,0]=4 5046 B12R1.28 Cc1cncc(c1)CSCC=O 62a_200015260668_100000716715 [1,1,0,0,0,0|2,0,0]=4 5047 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [1,1,0,0,0,0|1,0,0]=3 5048 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [1,1,0,0,0,0|1,0,1]=4 5049 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [1,1,0,0,0,0|1,0,1]=4 5050 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [1,1,0,0,0,0|1,0,1]=4 5051 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [1,1,0,0,0,0|1,0,1]=4 5052 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [1,1,0,0,0,0|2,0,0]=4 5053 B12R1.28 Nc1cncc(c1)COCC=O 34a_100000085308_200009817547 [1,1,0,0,0,0|2,0,0]=4 5054 B12R1.28 O=CCNCc1cccc(=O)[nH]1 2230a_100000696482_200015260668 [1,1,0,0,0,0|2,0,0]=4 5055 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [1,1,0,0,0,0|1,0,0]=3 5056 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [1,1,0,0,0,0|1,0,0]=3 5057 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [1,1,0,0,0,0|1,0,0]=3 5058 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [1,1,0,0,0,0|1,0,0]=3 5059 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [1,1,0,0,0,0|1,0,0]=3 5060 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [1,1,0,0,0,0|1,0,0]=3 5061 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [1,1,0,0,0,0|1,0,0]=3 5062 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [1,1,0,0,0,0|1,0,0]=3 5063 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [1,1,0,0,0,0|1,0,0]=3 5064 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [1,1,0,0,0,0|1,0,0]=3 5065 B12R1.28 O=CCNCc1cccc(n1)Br 2230a_100016987751_200015260668 [1,1,0,0,0,0|2,0,0]=4 5066 B12R1.28 O=CCNCc1cccc(n1)Cl 2230a_100016990191_200015260668 [1,1,0,0,0,0|2,0,0]=4 5067 B12R1.28 O=CCNCc1cccc(n1)F 2230a_100015188798_200015260668 [1,1,0,0,0,0|2,0,0]=4 5068 B12R1.28 O=CCNCc1cccc(n1)F 34a_100015188798_200009817547 [1,1,0,0,0,0|2,0,0]=4 5069 B12R1.28 O=CCNCc1ccnc(c1)Br 2230a_100025757509_200015260668 [1,1,0,0,0,0|2,0,0]=4 5070 B12R1.28 O=CCNCc1ccnc(c1)Br 34a_100025757509_200009817547 [1,1,0,0,0,0|2,0,0]=4 5071 B12R1.28 O=CCNCc1ccnc(c1)Cl 2230a_100015205668_200015260668 [1,1,0,0,0,0|2,0,0]=4 5072 B12R1.28 O=CCNCc1ccnc(c1)Cl 34a_100015205668_200009817547 [1,1,0,0,0,0|2,0,0]=4 5073 B12R1.28 O=CCNCc1ccnc(c1)F 2230a_100015188774_200015260668 [1,1,0,0,0,0|2,0,0]=4 5074 B12R1.28 O=CCNCc1ccnc(c1)F 34a_100015188774_200009817547 [1,1,0,0,0,0|2,0,0]=4 5075 B12R1.28 O=CCNCc1cncc(c1)Cl 2230a_200020614424_200015260668 [1,1,0,0,0,0|2,0,0]=4 5076 B12R1.28 O=CCNCc1cncc(c1)F 2230a_100011962886_200015260668 [1,1,0,0,0,0|2,0,0]=4 5077 B12R1.28 O=CCNCc1cncc(c1)F 34a_100011962886_200009817547 [1,1,0,0,0,0|2,0,0]=4 5078 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [1,1,0,0,0,0|2,0,0]=4 5079 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_200009817547 [1,1,0,0,0,0|2,0,0]=4 5080 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_200015260668 [1,1,0,0,0,0|2,0,0]=4 5081 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [1,1,0,0,0,0|1,0,0]=3 5082 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [1,1,0,0,0,0|1,0,0]=3 5083 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [1,1,0,0,0,0|1,0,0]=3 5084 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [1,1,0,0,0,0|1,0,0]=3 5085 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [1,1,0,0,0,0|1,0,0]=3 5086 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [1,1,0,0,0,0|1,0,0]=3 5087 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [1,1,0,0,0,0|1,0,0]=3 5088 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [1,1,0,0,0,0|1,0,0]=3 5089 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [1,1,0,0,0,0|2,0,0]=4 5090 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [1,1,0,0,0,0|2,0,0]=4 5091 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [1,1,0,0,0,0|2,0,0]=4 5092 B12R1.28 O=CCOCc1ccnc(c1)Br 34a_100009814636_200009817547 [1,1,0,0,0,0|2,0,0]=4 5093 B12R1.28 O=CCOCc1ccnc(c1)Br 7a_100009814636_200015260668 [1,1,0,0,0,0|2,0,0]=4 5094 B12R1.28 O=CCOCc1ccnc(c1)Cl 34a_100000748751_200009817547 [1,1,0,0,0,0|2,0,0]=4 5095 B12R1.28 O=CCOCc1ccnc(c1)F 34a_100000082451_200009817547 [1,1,0,0,0,0|2,0,0]=4 5096 B12R1.28 O=CCOCc1cncc(c1)Br 34a_100011259137_200009817547 [1,1,0,0,0,0|2,0,0]=4 5097 B12R1.28 O=CCOCc1cncc(c1)Br 7a_100011259137_200015260668 [1,1,0,0,0,0|2,0,0]=4 5098 B12R1.28 O=CCOCc1cncc(c1)Cl 34a_100000092867_200009817547 [1,1,0,0,0,0|2,0,0]=4 5099 B12R1.28 O=CCOCc1cncc(c1)Cl 7a_100000092867_200015260668 [1,1,0,0,0,0|2,0,0]=4 5100 B12R1.28 O=CCOCc1cncc(c1)F 34a_100011962875_200009817547 [1,1,0,0,0,0|2,0,0]=4 5101 B12R1.28 O=CCOCc1cncc(c1)F 7a_100011962875_200015260668 [1,1,0,0,0,0|2,0,0]=4 5102 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_100010173614_200015260668 [1,1,0,0,0,0|2,0,0]=4 5103 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_200015260668_100010173614 [1,1,0,0,0,0|2,0,0]=4 5104 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_100016988179_200015260668 [1,1,0,0,0,0|2,0,0]=4 5105 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_200015260668_100016988179 [1,1,0,0,0,0|2,0,0]=4 5106 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [1,1,0,0,0,0|1,0,0]=3 5107 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [1,1,0,0,0,0|1,0,0]=3 5108 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [1,1,0,0,0,0|1,0,0]=3 5109 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [1,1,0,0,0,0|1,0,0]=3 5110 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [1,1,0,0,0,0|1,0,0]=3 5111 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [1,1,0,0,0,0|1,0,0]=3 5112 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [1,1,0,0,0,0|1,0,0]=3 5113 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [1,1,0,0,0,0|1,0,0]=3 5114 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [1,1,0,0,0,0|1,0,0]=3 5115 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [1,1,0,0,0,0|1,0,0]=3 5116 B12R1.28 O=CCSCc1cccc(n1)Br 62a_100009889011_200015260668 [1,1,0,0,0,0|2,0,0]=4 5117 B12R1.28 O=CCSCc1cccc(n1)Br 62a_200015260668_100009889011 [1,1,0,0,0,0|2,0,0]=4 5118 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_100000086093_200015260668 [1,1,0,0,0,0|2,0,0]=4 5119 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_200015260668_100000086093 [1,1,0,0,0,0|2,0,0]=4 5120 B12R1.28 O=CCSCc1cccc(n1)F 62a_100009819644_200015260668 [1,1,0,0,0,0|2,0,0]=4 5121 B12R1.28 O=CCSCc1cccc(n1)F 62a_200015260668_100009819644 [1,1,0,0,0,0|2,0,0]=4 5122 B12R1.28 O=CCSCc1ccnc(c1)Br 62a_100010254460_200015260668 [1,1,0,0,0,0|2,0,0]=4 5123 B12R1.28 O=CCSCc1ccnc(c1)Br 62a_200015260668_100010243470 [1,1,0,0,0,0|2,0,0]=4 5124 B12R1.28 O=CCSCc1ccnc(c1)Cl 62a_100000764220_200015260668 [1,1,0,0,0,0|2,0,0]=4 5125 B12R1.28 O=CCSCc1ccnc(c1)Cl 62a_200015260668_100000764220 [1,1,0,0,0,0|2,0,0]=4 5126 B12R1.28 O=CCSCc1cncc(c1)Br 62a_100000738771_200015260668 [1,1,0,0,0,0|2,0,0]=4 5127 B12R1.28 O=CCSCc1cncc(c1)Br 62a_200015260668_100000738771 [1,1,0,0,0,0|2,0,0]=4 5128 B12R1.28 O=CCSCc1cncc(c1)Cl 62a_100016992070_200015260668 [1,1,0,0,0,0|2,0,0]=4 5129 B12R1.28 O=CCSCc1cncc(c1)Cl 62a_200015260668_100016992070 [1,1,0,0,0,0|2,0,0]=4 5130 B12R1.28 O=CCSCc1cncc(c1)F 62a_100000725299_200015260668 [1,1,0,0,0,0|2,0,0]=4 5131 B12R1.28 O=CCSCc1cncc(c1)F 62a_200015260668_100000725299 [1,1,0,0,0,0|2,0,0]=4 5132 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [1,1,0,0,0,0|1,0,1]=4 5133 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [1,1,0,0,0,0|1,0,1]=4 5134 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [1,1,0,0,0,0|1,0,1]=4 5135 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [1,1,0,0,0,0|1,0,1]=4 5136 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [1,1,0,0,0,0|1,0,1]=4 5137 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [1,1,0,0,0,0|1,0,1]=4 5138 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [1,1,0,0,0,0|1,0,1]=4 5139 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [1,1,0,0,0,0|1,0,1]=4 5140 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [1,1,0,0,0,0|1,0,1]=4 5141 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [1,1,0,0,0,0|1,0,1]=4 5142 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [1,1,0,0,0,0|1,0,1]=4 5143 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [1,1,0,0,0,0|1,0,1]=4 5144 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [1,1,0,0,0,0|1,0,1]=4 5145 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [1,1,0,0,0,0|1,0,1]=4 5146 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [1,1,0,0,0,0|1,0,1]=4 5147 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [1,1,0,0,0,0|1,0,1]=4 5148 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [1,1,0,0,0,0|1,0,1]=4 5149 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [1,1,0,0,0,0|1,0,1]=4 5150 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [1,1,0,0,0,0|1,0,1]=4 5151 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [1,1,0,0,0,0|1,0,1]=4 5152 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [1,1,0,0,0,0|1,0,1]=4 5153 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [1,1,0,0,0,0|1,0,1]=4 5154 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [1,1,0,0,0,0|1,0,1]=4 5155 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [1,1,0,0,0,0|1,0,1]=4 5156 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [1,1,0,0,0,0|1,0,1]=4 5157 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [1,1,0,0,0,0|1,0,1]=4 5158 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [1,1,0,0,0,0|1,0,1]=4 5159 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [1,1,0,0,0,0|1,0,1]=4 5160 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [1,1,0,0,0,0|1,0,1]=4 5161 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [1,1,0,0,0,0|1,0,1]=4 5162 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [1,1,0,0,0,0|1,0,1]=4 5163 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [1,1,0,0,0,0|1,0,1]=4 5164 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [1,1,0,0,0,0|1,0,1]=4 5165 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [1,1,0,0,0,0|1,0,1]=4 5166 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [1,1,0,0,0,0|1,0,1]=4 5167 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [1,1,0,0,0,0|1,0,1]=4 5168 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [1,1,0,0,0,0|1,0,1]=4 5169 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [1,1,0,0,0,0|1,0,1]=4 5170 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [1,1,0,0,0,0|1,0,1]=4 5171 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [1,1,0,0,0,0|1,0,1]=4 5172 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [1,1,0,0,0,0|1,0,1]=4 5173 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [1,1,0,0,0,0|1,0,1]=4 5174 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [1,1,0,0,0,0|1,0,1]=4 5175 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [1,1,0,0,0,0|1,0,1]=4 5176 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [1,1,0,0,0,0|1,0,1]=4 5177 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [1,1,0,0,0,0|1,0,1]=4 5178 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [1,1,0,0,0,0|1,0,1]=4 5179 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [1,1,0,0,0,0|1,0,1]=4 5180 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [1,1,0,0,0,0|1,0,1]=4 5181 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [1,1,0,0,0,0|1,0,1]=4 5182 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [1,1,0,0,0,0|1,0,1]=4 5183 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [1,1,0,0,0,0|1,0,1]=4 5184 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [1,1,0,0,0,0|1,0,1]=4 5185 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [1,1,0,0,0,0|1,0,1]=4 5186 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [1,1,0,0,0,0|1,0,1]=4 5187 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [1,1,0,0,0,0|1,0,1]=4 5188 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [1,1,0,0,0,0|1,0,1]=4 5189 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [1,1,0,0,0,0|1,0,1]=4 5190 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [1,1,0,0,0,0|1,0,1]=4 5191 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [1,1,0,0,0,0|1,0,1]=4 5192 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [1,1,0,0,0,0|1,0,1]=4 5193 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [1,1,0,0,0,0|1,0,1]=4 5194 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [1,1,0,0,0,0|1,0,1]=4 5195 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [1,1,0,0,0,0|1,0,1]=4 5196 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [1,1,0,0,0,0|1,0,1]=4 5197 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [1,1,0,0,0,0|1,0,1]=4 5198 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [1,1,0,0,0,0|1,0,1]=4 5199 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [1,1,0,0,0,0|1,0,1]=4 5200 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [1,1,0,0,0,0|1,0,1]=4 5201 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [1,1,0,0,0,0|1,0,1]=4 5202 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [1,1,0,0,0,0|2,0,0]=4 5203 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [1,1,0,0,0,0|2,0,0]=4 5204 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [1,1,0,0,0,0|2,0,0]=4 5205 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [1,1,0,0,0,0|2,0,0]=4 5206 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [1,1,0,0,0,0|2,0,0]=4 5207 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [1,1,0,0,0,0|2,0,0]=4 5208 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [1,1,0,0,0,0|2,0,0]=4 5209 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [1,1,0,0,0,0|2,0,0]=4 5210 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [1,1,0,0,0,0|2,0,0]=4 5211 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [1,1,0,0,0,0|2,0,0]=4 5212 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [1,1,0,0,0,0|2,0,0]=4 5213 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [1,1,0,0,0,0|2,0,0]=4 5214 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [1,1,0,0,0,0|2,0,0]=4 5215 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [1,1,0,0,0,0|2,0,0]=4 5216 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [1,1,0,0,0,0|2,0,0]=4 5217 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [1,1,0,0,0,0|2,0,0]=4 5218 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [1,1,0,0,0,0|1,0,1]=4 5219 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 5220 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 5221 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 5222 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,1,0,0,0,0|2,0,0]=4 5223 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,1,0,0,0,0|2,0,0]=4 5224 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [1,1,0,0,0,0|2,0,0]=4 5225 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [1,1,0,0,0,0|2,0,0]=4 5226 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [1,1,0,0,0,0|2,0,0]=4 5227 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [1,1,0,0,0,0|2,0,0]=4 5228 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [1,1,0,0,0,0|2,0,0]=4 5229 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [1,1,0,0,0,0|2,0,0]=4 5230 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [1,1,0,0,0,0|2,0,0]=4 5231 B12R1.30 CC(NCC=O)c1ccncc1 2230a_100000181269_200015260668 [1,1,0,0,0,0|2,0,0]=4 5232 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,1,0,0,0,0|1,0,1]=4 5233 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,1,0,0,0,0|1,0,1]=4 5234 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,1,0,0,0,0|1,0,1]=4 5235 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,1,0,0,0,0|1,0,0]=3 5236 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,1,0,0,0,0|1,0,0]=3 5237 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,1,0,0,0,0|1,0,1]=4 5238 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,1,0,0,0,0|1,0,1]=4 5239 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [1,1,0,0,0,0|1,0,1]=4 5240 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 5241 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [1,1,0,0,0,0|1,0,1]=4 5242 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 5243 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [1,1,0,0,0,0|1,0,1]=4 5244 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 5245 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|2,0,0]=4 5246 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,1,0,0,0,0|2,0,0]=4 5247 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,1,0,0,0,0|2,0,0]=4 5248 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,1,0,0,0,0|2,0,0]=4 5249 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,1,0,0,0,0|2,0,0]=4 5250 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,1,0,0,0,0|2,0,0]=4 5251 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,1,0,0,0,0|2,0,0]=4 5252 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 5253 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,1,0,0,0,0|2,0,0]=4 5254 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,1,0,0,0,0|1,0,0]=3 5255 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,1,0,0,0,0|1,0,1]=4 5256 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,1,0,0,0,0|1,0,0]=3 5257 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,1,0,0,0,0|1,0,0]=3 5258 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,1,0,0,0,0|1,0,1]=4 5259 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,1,0,0,0,0|1,0,1]=4 5260 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [1,1,0,0,0,0|0,0,2]=4 5261 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 5262 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 5263 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 5264 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,1,0,0,0,0|2,0,0]=4 5265 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,1,0,0,0,0|2,0,0]=4 5266 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 5267 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,1,0,0,0,0|2,0,0]=4 5268 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [1,1,0,0,0,0|1,0,1]=4 5269 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [1,1,0,0,0,0|2,0,0]=4 5270 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [1,1,0,0,0,0|2,0,0]=4 5271 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [1,1,0,0,0,0|2,0,0]=4 5272 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [1,1,0,0,0,0|2,0,0]=4 5273 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [1,1,0,0,0,0|2,0,0]=4 5274 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [1,1,0,0,0,0|2,0,0]=4 5275 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [1,1,0,0,0,0|2,0,0]=4 5276 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [1,1,0,0,0,0|2,0,0]=4 5277 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [1,1,0,0,0,0|2,0,0]=4 5278 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [1,1,0,0,0,0|1,0,1]=4 5279 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [1,1,0,0,0,0|1,0,1]=4 5280 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [1,1,0,0,0,0|1,0,1]=4 5281 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [1,1,0,0,0,0|1,0,1]=4 5282 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [1,1,0,0,0,0|1,0,1]=4 5283 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,1,0,0,0,0|2,0,0]=4 5284 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,1,0,0,0,0|2,0,0]=4 5285 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,1,0,0,0,0|1,0,0]=3 5286 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,1,0,0,0,0|1,0,0]=3 5287 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [1,1,0,0,0,0|2,0,0]=4 5288 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [1,1,0,0,0,0|2,0,0]=4 5289 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [1,1,0,0,0,0|2,0,0]=4 5290 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [1,1,0,0,0,0|2,0,0]=4 5291 B12R1.32 CN(CC=O)Cc1ccncc1 2230a_100000187231_200015260668 [1,1,0,0,0,0|2,0,0]=4 5292 B12R1.32 CN(CC=O)Cc1ccncc1 269982a_100000187231_200015260668 [1,1,0,0,0,0|2,0,0]=4 5293 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [1,1,0,0,0,0|1,0,1]=4 5294 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [1,1,0,0,0,0|1,0,1]=4 5295 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [1,1,0,0,0,0|1,0,1]=4 5296 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [1,1,0,0,0,0|1,0,1]=4 5297 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [1,1,0,0,0,0|1,0,1]=4 5298 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [1,1,0,0,0,0|1,0,1]=4 5299 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [1,1,0,0,0,0|1,0,1]=4 5300 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,1,0,0,0,0|2,0,0]=4 5301 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,1,0,0,0,0|2,0,0]=4 5302 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,1,0,0,0,0|2,0,0]=4 5303 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,1,0,0,0,0|2,0,0]=4 5304 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,1,0,0,0,0|2,0,0]=4 5305 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,1,0,0,0,0|2,0,0]=4 5306 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,1,0,0,0,0|2,0,0]=4 5307 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,1,0,0,0,0|2,0,0]=4 5308 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,1,0,0,0,0|2,0,0]=4 5309 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,1,0,0,0,0|2,0,0]=4 5310 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [1,1,0,0,0,0|0,0,2]=4 5311 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [1,1,0,0,0,0|1,0,1]=4 5312 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [1,1,0,0,0,0|1,0,1]=4 5313 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,1,0,0,0,0|2,0,0]=4 5314 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,1,0,0,0,0|2,0,0]=4 5315 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,1,0,0,0,0|2,0,0]=4 5316 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,1,0,0,0,0|2,0,0]=4 5317 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [1,1,0,0,0,0|2,0,0]=4 5318 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [1,1,0,0,0,0|2,0,0]=4 5319 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [1,1,0,0,0,0|2,0,0]=4 5320 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [1,1,0,0,0,0|2,0,0]=4 5321 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [1,1,0,0,0,0|2,0,0]=4 5322 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 5323 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [1,1,0,0,0,0|2,0,0]=4 5324 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [1,1,0,0,0,0|2,0,0]=4 5325 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [1,1,0,0,0,0|2,0,0]=4 5326 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [1,1,0,0,0,0|2,0,0]=4 5327 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [1,1,0,0,0,0|2,0,0]=4 5328 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [1,1,0,0,0,0|2,0,0]=4 5329 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [1,1,0,0,0,0|2,0,0]=4 5330 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [1,1,0,0,0,0|2,0,0]=4 5331 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [1,1,0,0,0,0|2,0,0]=4 5332 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [1,1,0,0,0,0|2,0,0]=4 5333 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 5334 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 5335 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [1,1,0,0,0,0|2,0,0]=4 5336 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [1,1,0,0,0,0|2,0,0]=4 5337 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [1,1,0,0,0,0|2,0,0]=4 5338 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [1,1,0,0,0,0|2,0,0]=4 5339 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [1,1,0,0,0,0|2,0,0]=4 5340 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [1,1,0,0,0,0|2,0,0]=4 5341 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [1,1,0,0,0,0|2,0,0]=4 5342 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [1,1,0,0,0,0|2,0,0]=4 5343 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [1,1,0,0,0,0|2,0,0]=4 5344 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [1,1,0,0,0,0|2,0,0]=4 5345 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [1,1,0,0,0,0|2,0,0]=4 5346 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [1,1,0,0,0,0|2,0,0]=4 5347 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [1,1,0,0,0,0|2,0,0]=4 5348 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [1,1,0,0,0,0|2,0,0]=4 5349 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [1,1,0,0,0,0|2,0,0]=4 5350 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [1,1,0,0,0,0|2,0,0]=4 5351 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [1,1,0,0,0,0|2,0,0]=4 5352 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [1,1,0,0,0,0|2,0,0]=4 5353 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [1,1,0,0,0,0|2,0,0]=4 5354 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [1,1,0,0,0,0|2,0,0]=4 5355 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [1,1,0,0,0,0|2,0,0]=4 5356 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [1,1,0,0,0,0|2,0,0]=4 5357 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [1,1,0,0,0,0|2,0,0]=4 5358 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [1,1,0,0,0,0|2,0,0]=4 5359 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [1,1,0,0,0,0|2,0,0]=4 5360 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [1,1,0,0,0,0|2,0,0]=4 5361 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [1,1,0,0,0,0|2,0,0]=4 5362 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [1,1,0,0,0,0|2,0,0]=4 5363 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [1,1,0,0,0,0|2,0,0]=4 5364 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [1,1,0,0,0,0|2,0,0]=4 5365 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [1,1,0,0,0,0|2,0,0]=4 5366 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [1,1,0,0,0,0|2,0,0]=4 5367 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [1,1,0,0,0,0|2,0,0]=4 5368 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [1,1,0,0,0,0|2,0,0]=4 5369 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [1,1,0,0,0,0|2,0,0]=4 5370 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [1,1,0,0,0,0|2,0,0]=4 5371 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [1,1,0,0,0,0|2,0,0]=4 5372 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [1,1,0,0,0,0|2,0,0]=4 5373 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [1,1,0,0,0,0|2,0,0]=4 5374 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [1,1,0,0,0,0|2,0,0]=4 5375 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [1,1,0,0,0,0|2,0,0]=4 5376 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [1,1,0,0,0,0|2,0,0]=4 5377 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [1,1,0,0,0,0|2,0,0]=4 5378 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [1,1,0,0,0,0|2,0,0]=4 5379 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [1,1,0,0,0,0|2,0,0]=4 5380 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [1,1,0,0,0,0|2,0,0]=4 5381 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [1,1,0,0,0,0|2,0,0]=4 5382 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [1,1,0,0,0,0|2,0,0]=4 5383 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [1,1,0,0,0,0|2,0,0]=4 5384 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [1,1,0,0,0,0|2,0,0]=4 5385 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [1,1,0,0,0,0|2,0,0]=4 5386 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [1,1,0,0,0,0|2,0,0]=4 5387 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [1,1,0,0,0,0|2,0,0]=4 5388 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [1,1,0,0,0,0|2,0,0]=4 5389 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [1,1,0,0,0,0|2,0,0]=4 5390 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [1,1,0,0,0,0|2,0,0]=4 5391 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [1,1,0,0,0,0|2,0,0]=4 5392 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [1,1,0,0,0,0|2,0,0]=4 5393 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [1,1,0,0,0,0|2,0,0]=4 5394 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [1,1,0,0,0,0|2,0,0]=4 5395 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [1,1,0,0,0,0|2,0,0]=4 5396 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [1,1,0,0,0,0|2,0,0]=4 5397 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [1,1,0,0,0,0|2,0,0]=4 5398 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [1,1,0,0,0,0|2,0,0]=4 5399 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [1,1,0,0,0,0|2,0,0]=4 5400 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [1,1,0,0,0,0|2,0,0]=4 5401 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [1,1,0,0,0,0|2,0,0]=4 5402 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [1,1,0,0,0,0|2,0,0]=4 5403 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [1,1,0,0,0,0|2,0,0]=4 5404 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,1,0,0,0,0|1,0,0]=3 5405 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [1,1,0,0,0,0|1,0,1]=4 5406 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [1,1,0,0,0,0|1,0,1]=4 5407 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [1,1,0,0,0,0|1,0,1]=4 5408 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [1,1,0,0,0,0|1,0,1]=4 5409 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [1,1,0,0,0,0|1,0,1]=4 5410 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [1,1,0,0,0,0|1,0,0]=3 5411 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [1,1,0,0,0,0|1,0,0]=3 5412 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [1,1,0,0,0,0|1,0,1]=4 5413 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [1,1,0,0,0,0|1,0,1]=4 5414 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [1,1,0,0,0,0|1,0,0]=3 5415 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [1,1,0,0,0,0|1,0,0]=3 5416 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [1,1,0,0,0,0|1,0,1]=4 5417 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [1,1,0,0,0,0|1,0,1]=4 5418 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [1,1,0,0,0,0|1,0,1]=4 5419 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [1,1,0,0,0,0|1,0,1]=4 5420 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [1,1,0,0,0,0|1,0,1]=4 5421 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [1,1,0,0,0,0|1,0,1]=4 5422 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [1,1,0,0,0,0|1,0,1]=4 5423 B12R1.267 Cc1cccnc1CNCC=O 34a_100011223789_200009817547 [1,1,0,0,0,0|2,0,0]=4 5424 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [1,1,0,0,0,0|2,0,0]=4 5425 B12R1.267 Cc1cccnc1CSCC=O 62a_100000696600_200015260668 [1,1,0,0,0,0|2,0,0]=4 5426 B12R1.267 Cc1cccnc1CSCC=O 62a_200015260668_100000696600 [1,1,0,0,0,0|2,0,0]=4 5427 B12R1.267 Cc1ccncc1COCC=O 34a_100011996381_200009817547 [1,1,0,0,0,0|2,0,0]=4 5428 B12R1.267 Cc1ccncc1CSCC=O 62a_100000690890_200015260668 [1,1,0,0,0,0|2,0,0]=4 5429 B12R1.267 Cc1ccncc1CSCC=O 62a_200015260668_100000690890 [1,1,0,0,0,0|2,0,0]=4 5430 B12R1.267 Cc1cnccc1COCC=O 34a_100011997032_200009817547 [1,1,0,0,0,0|2,0,0]=4 5431 B12R1.267 Cc1cnccc1CSCC=O 62a_100020672808_200015260668 [1,1,0,0,0,0|2,0,0]=4 5432 B12R1.267 Cc1cnccc1CSCC=O 62a_200015260668_100020672808 [1,1,0,0,0,0|2,0,0]=4 5433 B12R1.267 Cc1ncccc1COCC=O 34a_100000729262_200009817547 [1,1,0,0,0,0|2,0,0]=4 5434 B12R1.267 Cc1ncccc1COCC=O 7a_100000729262_200015260668 [1,1,0,0,0,0|2,0,0]=4 5435 B12R1.267 Cc1ncccc1CSCC=O 62a_100000732876_200015260668 [1,1,0,0,0,0|2,0,0]=4 5436 B12R1.267 Cc1ncccc1CSCC=O 62a_200015260668_100000732876 [1,1,0,0,0,0|2,0,0]=4 5437 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [1,1,0,0,0,0|1,0,0]=3 5438 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [1,1,0,0,0,0|1,0,1]=4 5439 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [1,1,0,0,0,0|1,0,1]=4 5440 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [1,1,0,0,0,0|1,0,1]=4 5441 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [1,1,0,0,0,0|1,0,1]=4 5442 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [1,1,0,0,0,0|1,0,1]=4 5443 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [1,1,0,0,0,0|2,0,0]=4 5444 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [1,1,0,0,0,0|1,0,0]=3 5445 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [1,1,0,0,0,0|1,0,0]=3 5446 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [1,1,0,0,0,0|1,0,0]=3 5447 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [1,1,0,0,0,0|1,0,0]=3 5448 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [1,1,0,0,0,0|1,0,0]=3 5449 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|1,0,0]=3 5450 B12R1.267 O=CCNCc1cccnc1Br 2230a_100009818023_200015260668 [1,1,0,0,0,0|2,0,0]=4 5451 B12R1.267 O=CCNCc1cccnc1Br 34a_100009818023_200009817547 [1,1,0,0,0,0|2,0,0]=4 5452 B12R1.267 O=CCNCc1cccnc1Cl 2230a_100015189234_200015260668 [1,1,0,0,0,0|2,0,0]=4 5453 B12R1.267 O=CCNCc1cccnc1Cl 34a_100015189234_200009817547 [1,1,0,0,0,0|2,0,0]=4 5454 B12R1.267 O=CCNCc1cccnc1F 34a_100000724633_200009817547 [1,1,0,0,0,0|2,0,0]=4 5455 B12R1.267 O=CCNCc1ccncc1F 34a_100011935246_200009817547 [1,1,0,0,0,0|2,0,0]=4 5456 B12R1.267 O=CCNCc1ncccc1Cl 2230a_100015189233_200015260668 [1,1,0,0,0,0|2,0,0]=4 5457 B12R1.267 O=CCNCc1ncccc1F 34a_100000690088_200009817547 [1,1,0,0,0,0|2,0,0]=4 5458 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [1,1,0,0,0,0|1,0,0]=3 5459 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [1,1,0,0,0,0|1,0,0]=3 5460 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [1,1,0,0,0,0|1,0,0]=3 5461 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [1,1,0,0,0,0|1,0,0]=3 5462 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [1,1,0,0,0,0|1,0,0]=3 5463 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [1,1,0,0,0,0|1,0,0]=3 5464 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [1,1,0,0,0,0|1,0,0]=3 5465 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [1,1,0,0,0,0|1,0,0]=3 5466 B12R1.267 O=CCOCc1cccnc1Br 34a_100000719692_200009817547 [1,1,0,0,0,0|2,0,0]=4 5467 B12R1.267 O=CCOCc1cccnc1Br 7a_100000719692_200015260668 [1,1,0,0,0,0|2,0,0]=4 5468 B12R1.267 O=CCOCc1cccnc1Cl 34a_100000748726_200009817547 [1,1,0,0,0,0|2,0,0]=4 5469 B12R1.267 O=CCOCc1cccnc1Cl 7a_100000748726_200015260668 [1,1,0,0,0,0|2,0,0]=4 5470 B12R1.267 O=CCOCc1cccnc1F 34a_100000079888_200009817547 [1,1,0,0,0,0|2,0,0]=4 5471 B12R1.267 O=CCOCc1cccnc1F 7a_100000079888_200015260668 [1,1,0,0,0,0|2,0,0]=4 5472 B12R1.267 O=CCOCc1ccncc1F 34a_100012172863_200009817547 [1,1,0,0,0,0|2,0,0]=4 5473 B12R1.267 O=CCOCc1cnccc1Cl 34a_100000117392_200009817547 [1,1,0,0,0,0|2,0,0]=4 5474 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [1,1,0,0,0,0|2,0,0]=4 5475 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [1,1,0,0,0,0|2,0,0]=4 5476 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [1,1,0,0,0,0|2,0,0]=4 5477 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [1,1,0,0,0,0|1,0,0]=3 5478 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [1,1,0,0,0,0|1,0,0]=3 5479 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [1,1,0,0,0,0|1,0,0]=3 5480 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [1,1,0,0,0,0|1,0,0]=3 5481 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [1,1,0,0,0,0|1,0,0]=3 5482 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [1,1,0,0,0,0|1,0,0]=3 5483 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [1,1,0,0,0,0|1,0,0]=3 5484 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [1,1,0,0,0,0|1,0,0]=3 5485 B12R1.267 O=CCSCc1cccnc1Br 62a_100010140945_200015260668 [1,1,0,0,0,0|2,0,0]=4 5486 B12R1.267 O=CCSCc1cccnc1Br 62a_200015260668_100010140945 [1,1,0,0,0,0|2,0,0]=4 5487 B12R1.267 O=CCSCc1cccnc1Cl 62a_100000045678_200015260668 [1,1,0,0,0,0|2,0,0]=4 5488 B12R1.267 O=CCSCc1cccnc1Cl 62a_200015260668_100000045678 [1,1,0,0,0,0|2,0,0]=4 5489 B12R1.267 O=CCSCc1cccnc1F 62a_100000099810_200015260668 [1,1,0,0,0,0|2,0,0]=4 5490 B12R1.267 O=CCSCc1cccnc1F 62a_200015260668_100000099810 [1,1,0,0,0,0|2,0,0]=4 5491 B12R1.267 O=CCSCc1ccncc1Cl 62a_100000763264_200015260668 [1,1,0,0,0,0|2,0,0]=4 5492 B12R1.267 O=CCSCc1ccncc1Cl 62a_200015260668_100000763264 [1,1,0,0,0,0|2,0,0]=4 5493 B12R1.267 O=CCSCc1ncccc1Br 62a_100025702911_200015260668 [1,1,0,0,0,0|2,0,0]=4 5494 B12R1.267 O=CCSCc1ncccc1Br 62a_200015260668_100025702911 [1,1,0,0,0,0|2,0,0]=4 5495 B12R1.267 O=CCSCc1ncccc1Cl 62a_100000099807_200015260668 [1,1,0,0,0,0|2,0,0]=4 5496 B12R1.267 O=CCSCc1ncccc1Cl 62a_200015260668_100000099807 [1,1,0,0,0,0|2,0,0]=4 5497 B12R1.267 O=CCSCc1ncccc1F 62a_100000104219_200015260668 [1,1,0,0,0,0|2,0,0]=4 5498 B12R1.267 O=CCSCc1ncccc1F 62a_200015260668_100000104219 [1,1,0,0,0,0|2,0,0]=4 5499 B12R1.267 O=CCSCc1ncccc1O 62a_200015260668_200020655725 [1,1,0,0,0,0|2,0,0]=4 5500 B12R1.267 O=CCSCc1ncccc1O 62a_200020655725_200015260668 [1,1,0,0,0,0|2,0,0]=4 5501 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [1,1,0,0,0,0|0,0,1]=3 5502 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [1,1,0,0,0,0|1,0,1]=4 5503 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [1,1,0,0,0,0|1,0,1]=4 5504 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [1,1,0,0,0,0|1,0,1]=4 5505 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [1,1,0,0,0,0|1,0,1]=4 5506 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [1,1,0,0,0,0|1,0,1]=4 5507 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [1,1,0,0,0,0|1,0,1]=4 5508 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [1,1,0,0,0,0|1,0,1]=4 5509 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [1,1,0,0,0,0|1,0,1]=4 5510 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [1,1,0,0,0,0|1,0,1]=4 5511 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [1,1,0,0,0,0|1,0,1]=4 5512 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [1,1,0,0,0,0|1,0,1]=4 5513 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [1,1,0,0,0,0|1,0,1]=4 5514 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [1,1,0,0,0,0|1,0,1]=4 5515 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [1,1,0,0,0,0|1,0,1]=4 5516 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [1,1,0,0,0,0|1,0,1]=4 5517 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [1,1,0,0,0,0|1,0,1]=4 5518 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [1,1,0,0,0,0|1,0,1]=4 5519 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [1,1,0,0,0,0|1,0,1]=4 5520 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [1,1,0,0,0,0|1,0,1]=4 5521 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [1,1,0,0,0,0|1,0,1]=4 5522 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [1,1,0,0,0,0|1,0,1]=4 5523 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [1,1,0,0,0,0|1,0,1]=4 5524 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [1,1,0,0,0,0|1,0,1]=4 5525 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [1,1,0,0,0,0|1,0,1]=4 5526 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [1,1,0,0,0,0|1,0,1]=4 5527 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [1,1,0,0,0,0|1,0,1]=4 5528 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [1,1,0,0,0,0|1,0,1]=4 5529 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [1,1,0,0,0,0|1,0,1]=4 5530 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [1,1,0,0,0,0|1,0,1]=4 5531 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [1,1,0,0,0,0|1,0,1]=4 5532 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [1,1,0,0,0,0|1,0,1]=4 5533 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [1,1,0,0,0,0|1,0,1]=4 5534 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [1,1,0,0,0,0|1,0,1]=4 5535 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [1,1,0,0,0,0|1,0,1]=4 5536 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [1,1,0,0,0,0|1,0,1]=4 5537 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [1,1,0,0,0,0|1,0,1]=4 5538 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [1,1,0,0,0,0|1,0,1]=4 5539 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [1,1,0,0,0,0|1,0,1]=4 5540 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [1,1,0,0,0,0|1,0,1]=4 5541 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [1,1,0,0,0,0|1,0,1]=4 5542 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [1,1,0,0,0,0|1,0,1]=4 5543 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [1,1,0,0,0,0|1,0,1]=4 5544 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [1,1,0,0,0,0|1,0,1]=4 5545 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [1,1,0,0,0,0|1,0,1]=4 5546 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [1,1,0,0,0,0|1,0,1]=4 5547 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [1,1,0,0,0,0|1,0,1]=4 5548 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [1,1,0,0,0,0|1,0,1]=4 5549 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [1,1,0,0,0,0|1,0,1]=4 5550 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [1,1,0,0,0,0|1,0,1]=4 5551 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [1,1,0,0,0,0|1,0,1]=4 5552 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [1,1,0,0,0,0|1,0,1]=4 5553 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [1,1,0,0,0,0|1,0,1]=4 5554 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [1,1,0,0,0,0|1,0,1]=4 5555 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [1,1,0,0,0,0|1,0,1]=4 5556 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [1,1,0,0,0,0|1,0,1]=4 5557 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [1,1,0,0,0,0|1,0,1]=4 5558 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [1,1,0,0,0,0|1,0,1]=4 5559 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [1,1,0,0,0,0|1,0,1]=4 5560 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [1,1,0,0,0,0|1,0,1]=4 5561 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [1,1,0,0,0,0|1,0,1]=4 5562 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [1,1,0,0,0,0|2,0,0]=4 5563 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [1,1,0,0,0,0|2,0,0]=4 5564 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [1,1,0,0,0,0|2,0,0]=4 5565 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [1,1,0,0,0,0|2,0,0]=4 5566 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [1,1,0,0,0,0|2,0,0]=4 5567 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [1,1,0,0,0,0|2,0,0]=4 5568 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [1,1,0,0,0,0|2,0,0]=4 5569 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [1,1,0,0,0,0|2,0,0]=4 5570 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [1,1,0,0,0,0|2,0,0]=4 5571 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [1,1,0,0,0,0|2,0,0]=4 5572 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,1,0|1,0,0]=3 5573 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,1,0|1,0,0]=3 5574 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,1,0|1,0,0]=3 5575 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,1,0|1,0,0]=3 5576 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,1,0|1,0,0]=3 5577 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,1,0|1,0,0]=3 5578 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,1,0|1,0,0]=3 5579 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,1,0|1,0,0]=3 5580 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,1,0|1,0,0]=3 5581 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,1,0|1,0,0]=3 5582 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,1,0|1,0,0]=3 5583 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,1,0|1,0,0]=3 5584 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,1,0|2,0,0]=4 5585 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,1,0|2,0,0]=4 5586 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,1,0|2,0,0]=4 5587 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,1,0|2,0,0]=4 5588 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,1,0|2,0,0]=4 5589 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,1,0|2,0,0]=4 5590 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,1,0|2,0,0]=4 5591 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,1,0|2,0,0]=4 5592 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,1,0|2,0,0]=4 5593 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,1,0|2,0,0]=4 5594 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,1,0|2,0,0]=4 5595 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,1,0|2,0,0]=4 5596 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,1,0|2,0,0]=4 5597 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,1,0|2,0,0]=4 5598 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,1,0|2,0,0]=4 5599 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,1,0|2,0,0]=4 5600 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,1,0|2,0,0]=4 5601 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,1,0|2,0,0]=4 5602 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,1,0|2,0,0]=4 5603 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,1,0|2,0,0]=4 5604 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,1,0|2,0,0]=4 5605 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,1,0|2,0,0]=4 5606 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,1,0|2,0,0]=4 5607 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,1,0|2,0,0]=4 5608 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,1,0|2,0,0]=4 5609 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,1,0|2,0,0]=4 5610 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,1,0|2,0,0]=4 5611 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,1,0|2,0,0]=4 5612 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,1,0|2,0,0]=4 5613 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,1,0|2,0,0]=4 5614 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,1,0|2,0,0]=4 5615 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,1,0|2,0,0]=4 5616 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,1,0|2,0,0]=4 5617 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,1,0|1,0,0]=3 5618 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,1,0|2,0,0]=4 5619 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,1,0|1,0,1]=4 5620 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,1,0|2,0,0]=4 5621 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,1,0|2,0,0]=4 5622 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,1,0|2,0,0]=4 5623 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,1,0|1,0,1]=4 5624 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,1,0|2,0,0]=4 5625 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,1,0|2,0,0]=4 5626 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,1,0|2,0,0]=4 5627 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,1,0|1,0,1]=4 5628 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,1,0|1,0,1]=4 5629 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,1,0|1,0,0]=3 5630 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,1,0|2,0,0]=4 5631 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,1,0|2,0,0]=4 5632 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,1,0|2,0,0]=4 5633 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,1,0|2,0,0]=4 5634 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,1,0|2,0,0]=4 5635 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,1,0|2,0,0]=4 5636 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,1,0|2,0,0]=4 5637 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,1,0|2,0,0]=4 5638 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,1,0|2,0,0]=4 5639 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,1,0|2,0,0]=4 5640 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,1,0|2,0,0]=4 5641 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,1,0|2,0,0]=4 5642 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,1,0|2,0,0]=4 5643 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,1,0|2,0,0]=4 5644 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,1,0|2,0,0]=4 5645 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,1,0|2,0,0]=4 5646 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,1,0|2,0,0]=4 5647 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,1,0|2,0,0]=4 5648 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,1,0|2,0,0]=4 5649 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,1,0|2,0,0]=4 5650 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,1,0|2,0,0]=4 5651 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,1,0|2,0,0]=4 5652 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,1,0|2,0,0]=4 5653 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,1,0|2,0,0]=4 5654 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,1,0|2,0,0]=4 5655 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,1,0|1,0,1]=4 5656 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,1,0|1,0,1]=4 5657 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,1,0|1,0,1]=4 5658 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,1,0|1,0,1]=4 5659 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,1,0|1,0,1]=4 5660 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,1,0|1,0,1]=4 5661 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,1,0|1,0,1]=4 5662 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,1,0|1,0,1]=4 5663 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,1,0|1,0,1]=4 5664 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,1,0|1,0,1]=4 5665 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,1,0|1,0,1]=4 5666 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,1,0|1,0,1]=4 5667 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,1,0|1,0,1]=4 5668 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,1,0|1,0,1]=4 5669 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,1,0|1,0,1]=4 5670 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,1,0|1,0,1]=4 5671 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,1,0|1,0,1]=4 5672 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,1,0|1,0,1]=4 5673 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,1,0|1,0,1]=4 5674 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,1,0|1,0,0]=3 5675 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,1,0|1,0,0]=3 5676 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,1,0|1,0,0]=3 5677 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,1,0|1,0,0]=3 5678 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,1,0|1,0,0]=3 5679 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,1,0|2,0,0]=4 5680 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,1,0|2,0,0]=4 5681 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,1,0|2,0,0]=4 5682 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,1,0|2,0,0]=4 5683 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,1,0|2,0,0]=4 5684 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,1,0|2,0,0]=4 5685 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,1,0|2,0,0]=4 5686 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,1,0|2,0,0]=4 5687 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,1,0|1,0,0]=3 5688 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,1,0|1,0,0]=3 5689 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,1,0|2,0,0]=4 5690 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,1,0|2,0,0]=4 5691 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,1,0|2,0,0]=4 5692 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,1,0|2,0,0]=4 5693 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,1,0|2,0,0]=4 5694 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,1,0|2,0,0]=4 5695 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,1,0|2,0,0]=4 5696 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,1,0|2,0,0]=4 5697 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,1,0|2,0,0]=4 5698 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,1,0|2,0,0]=4 5699 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,1,0|1,0,0]=3 5700 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,1,0|1,0,0]=3 5701 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,1,0|2,0,0]=4 5702 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,1,0|2,0,0]=4 5703 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,1,0|2,0,0]=4 5704 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,1,0|2,0,0]=4 5705 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,1,0|2,0,0]=4 5706 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,1,0|2,0,0]=4 5707 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,1,0|2,0,0]=4 5708 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,1,0|2,0,0]=4 5709 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,1,0|2,0,0]=4 5710 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,1,0|2,0,0]=4 5711 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,1,0|2,0,0]=4 5712 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,1,0|2,0,0]=4 5713 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,1,0|2,0,0]=4 5714 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,1,0|1,0,1]=4 5715 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,1,0|1,0,1]=4 5716 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,1,0|1,0,1]=4 5717 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,1,0|1,0,1]=4 5718 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,1,0|1,0,0]=3 5719 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,1,0|1,0,1]=4 5720 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,1,0|1,0,0]=3 5721 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,1,0|1,0,0]=3 5722 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,1,0|1,0,0]=3 5723 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,1,0|1,0,0]=3 5724 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,1,0|2,0,0]=4 5725 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,1,0|1,0,0]=3 5726 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,1,0|2,0,0]=4 5727 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,1,0|2,0,0]=4 5728 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,1,0|2,0,0]=4 5729 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,1,0|2,0,0]=4 5730 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,1,0|1,0,0]=3 5731 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,1,0|2,0,0]=4 5732 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,1,0|2,0,0]=4 5733 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,1,0|2,0,0]=4 5734 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,1,0|2,0,0]=4 5735 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,1,0|2,0,0]=4 5736 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,1,0|1,0,0]=3 5737 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,1,0|2,0,0]=4 5738 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,1,0|1,0,1]=4 5739 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,1,0|1,0,1]=4 5740 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,1,0|1,0,1]=4 5741 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,1,0|0,0,2]=4 5742 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,1,0|1,0,0]=3 5743 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,1,0|2,0,0]=4 5744 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,1,0|2,0,0]=4 5745 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,1,0|1,0,0]=3 5746 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,1,0|1,0,0]=3 5747 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,1,0|1,0,0]=3 5748 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,1,0|1,0,0]=3 5749 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,1,0|1,0,0]=3 5750 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,1,0|1,0,0]=3 5751 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,1,0|1,0,0]=3 5752 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,1,0|1,0,0]=3 5753 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,1,0|1,0,0]=3 5754 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,1,0|1,0,0]=3 5755 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,1,0|1,0,0]=3 5756 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,1,0|1,0,0]=3 5757 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,1,0|2,0,0]=4 5758 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,1,0|2,0,0]=4 5759 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,1,0|2,0,0]=4 5760 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,1,0|2,0,0]=4 5761 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,1,0|2,0,0]=4 5762 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,1,0|2,0,0]=4 5763 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,1,0|2,0,0]=4 5764 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,1,0|2,0,0]=4 5765 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,1,0|2,0,0]=4 5766 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,1,0|2,0,0]=4 5767 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,1,0|2,0,0]=4 5768 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,1,0|2,0,0]=4 5769 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,1,0|2,0,0]=4 5770 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,1,0|2,0,0]=4 5771 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,1,0|2,0,0]=4 5772 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,1,0|2,0,0]=4 5773 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,1,0|2,0,0]=4 5774 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,1,0|2,0,0]=4 5775 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,1,0|2,0,0]=4 5776 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,1,0|2,0,0]=4 5777 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,1,0|2,0,0]=4 5778 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,1,0|2,0,0]=4 5779 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,1,0|2,0,0]=4 5780 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,1,0|2,0,0]=4 5781 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,1,0|2,0,0]=4 5782 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,1,0|2,0,0]=4 5783 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,1,0|2,0,0]=4 5784 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,1,0|2,0,0]=4 5785 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,1,0|2,0,0]=4 5786 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,1,0|2,0,0]=4 5787 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,1,0|2,0,0]=4 5788 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,1,0|2,0,0]=4 5789 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,1,0|1,0,0]=3 5790 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,1,0|2,0,0]=4 5791 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,1,0|1,0,1]=4 5792 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,1,0|2,0,0]=4 5793 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,1,0|2,0,0]=4 5794 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,1,0|2,0,0]=4 5795 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,1,0|1,0,1]=4 5796 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,1,0|2,0,0]=4 5797 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,1,0|2,0,0]=4 5798 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,1,0|2,0,0]=4 5799 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,1,0|1,0,1]=4 5800 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,1,0|1,0,1]=4 5801 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,1,0|1,0,0]=3 5802 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,1,0|2,0,0]=4 5803 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,1,0|2,0,0]=4 5804 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,1,0|2,0,0]=4 5805 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,1,0|2,0,0]=4 5806 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,1,0|2,0,0]=4 5807 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,1,0|2,0,0]=4 5808 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,1,0|2,0,0]=4 5809 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,1,0|2,0,0]=4 5810 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,1,0|2,0,0]=4 5811 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,1,0|2,0,0]=4 5812 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,1,0|2,0,0]=4 5813 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,1,0|2,0,0]=4 5814 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,1,0|2,0,0]=4 5815 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,1,0|2,0,0]=4 5816 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,1,0|2,0,0]=4 5817 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,1,0|2,0,0]=4 5818 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,1,0|2,0,0]=4 5819 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,1,0|2,0,0]=4 5820 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,1,0|2,0,0]=4 5821 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,1,0|2,0,0]=4 5822 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,1,0|2,0,0]=4 5823 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,1,0|2,0,0]=4 5824 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,1,0|2,0,0]=4 5825 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,1,0|2,0,0]=4 5826 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,1,0|2,0,0]=4 5827 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,1,0|2,0,0]=4 5828 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,1,0|1,0,1]=4 5829 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,1,0|1,0,1]=4 5830 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,1,0|1,0,1]=4 5831 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,1,0|1,0,1]=4 5832 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,1,0|1,0,1]=4 5833 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,1,0|1,0,1]=4 5834 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,1,0|1,0,1]=4 5835 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,1,0|1,0,1]=4 5836 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,1,0|1,0,1]=4 5837 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,1,0|1,0,1]=4 5838 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,1,0|1,0,1]=4 5839 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,1,0|1,0,1]=4 5840 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,1,0|1,0,1]=4 5841 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,1,0|1,0,1]=4 5842 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,1,0|1,0,1]=4 5843 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,1,0|1,0,1]=4 5844 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,1,0|1,0,1]=4 5845 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,1,0|1,0,1]=4 5846 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,1,0|1,0,1]=4 5847 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,1,0|1,0,1]=4 5848 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,1,0|1,0,0]=3 5849 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,1,0|1,0,0]=3 5850 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,1,0|1,0,0]=3 5851 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,1,0|1,0,0]=3 5852 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,1,0|1,0,0]=3 5853 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,1,0|2,0,0]=4 5854 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,1,0|2,0,0]=4 5855 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,1,0|2,0,0]=4 5856 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,1,0|2,0,0]=4 5857 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,1,0|2,0,0]=4 5858 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,1,0|2,0,0]=4 5859 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,1,0|2,0,0]=4 5860 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,1,0|1,0,0]=3 5861 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,1,0|1,0,0]=3 5862 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,1,0|1,0,0]=3 5863 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,1,0|1,0,0]=3 5864 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,1,0|1,0,0]=3 5865 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,1,0|1,0,0]=3 5866 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,1,0|1,0,0]=3 5867 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,1,0|1,0,0]=3 5868 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,1,0|1,0,0]=3 5869 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,1,0|1,0,0]=3 5870 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,1,0|1,0,0]=3 5871 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,1,0|2,0,0]=4 5872 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,1,0|2,0,0]=4 5873 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,1,0|2,0,0]=4 5874 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,1,0|2,0,0]=4 5875 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,1,0|2,0,0]=4 5876 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,1,0|2,0,0]=4 5877 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,1,0|2,0,0]=4 5878 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,1,0|2,0,0]=4 5879 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,1,0|2,0,0]=4 5880 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,1,0|2,0,0]=4 5881 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,1,0|2,0,0]=4 5882 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,1,0|2,0,0]=4 5883 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,1,0|2,0,0]=4 5884 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,1,0|2,0,0]=4 5885 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,1,0|2,0,0]=4 5886 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,1,0|2,0,0]=4 5887 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,1,0|2,0,0]=4 5888 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,1,0|2,0,0]=4 5889 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,1,0|2,0,0]=4 5890 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,1,0|2,0,0]=4 5891 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,1,0|2,0,0]=4 5892 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,1,0|2,0,0]=4 5893 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,1,0|2,0,0]=4 5894 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,1,0|2,0,0]=4 5895 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,1,0|2,0,0]=4 5896 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,1,0|2,0,0]=4 5897 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,1,0|2,0,0]=4 5898 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,1,0|2,0,0]=4 5899 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,1,0|1,0,0]=3 5900 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,1,0|2,0,0]=4 5901 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,1,0|2,0,0]=4 5902 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,1,0|1,0,1]=4 5903 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,1,0|2,0,0]=4 5904 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,1,0|2,0,0]=4 5905 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,1,0|2,0,0]=4 5906 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,1,0|1,0,1]=4 5907 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,1,0|2,0,0]=4 5908 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,1,0|2,0,0]=4 5909 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,1,0|1,0,1]=4 5910 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,1,0|1,0,1]=4 5911 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,1,0|1,0,0]=3 5912 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,1,0|2,0,0]=4 5913 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,1,0|2,0,0]=4 5914 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,1,0|2,0,0]=4 5915 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,1,0|2,0,0]=4 5916 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,1,0|2,0,0]=4 5917 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,1,0|2,0,0]=4 5918 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,1,0|2,0,0]=4 5919 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,1,0|2,0,0]=4 5920 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,1,0|2,0,0]=4 5921 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,1,0|2,0,0]=4 5922 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,1,0|2,0,0]=4 5923 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,1,0|2,0,0]=4 5924 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,1,0|2,0,0]=4 5925 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,1,0|2,0,0]=4 5926 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,1,0|2,0,0]=4 5927 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,1,0|2,0,0]=4 5928 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,1,0|2,0,0]=4 5929 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,1,0|2,0,0]=4 5930 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,1,0|2,0,0]=4 5931 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,1,0|2,0,0]=4 5932 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,1,0|2,0,0]=4 5933 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,1,0|2,0,0]=4 5934 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,1,0|2,0,0]=4 5935 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,1,0|2,0,0]=4 5936 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,1,0|2,0,0]=4 5937 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,1,0|2,0,0]=4 5938 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,1,0|1,0,1]=4 5939 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,1,0|1,0,1]=4 5940 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,1,0|1,0,1]=4 5941 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,1,0|1,0,1]=4 5942 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,1,0|1,0,1]=4 5943 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,1,0|1,0,1]=4 5944 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,1,0|1,0,1]=4 5945 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,1,0|1,0,1]=4 5946 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,1,0|1,0,1]=4 5947 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,1,0|1,0,1]=4 5948 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,1,0|1,0,1]=4 5949 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,1,0|1,0,1]=4 5950 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,1,0|1,0,1]=4 5951 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,1,0|1,0,1]=4 5952 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,1,0|1,0,1]=4 5953 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,1,0|1,0,1]=4 5954 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,1,0|1,0,1]=4 5955 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,1,0|1,0,1]=4 5956 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,1,0|1,0,1]=4 5957 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,1,0|1,0,1]=4 5958 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,1,0|1,0,1]=4 5959 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,1,0|1,0,0]=3 5960 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,1,0|1,0,0]=3 5961 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,1,0|1,0,0]=3 5962 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,1,0|1,0,0]=3 5963 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,1,0|1,0,0]=3 5964 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,1,0|2,0,0]=4 5965 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,1,0|2,0,0]=4 5966 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,1,0|2,0,0]=4 5967 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,1,0|2,0,0]=4 5968 B12R1.105 O=C(O)CNCc1cc(cs1)Br 269956a_100016091260_100000746031 [0,1,0,0,1,0|2,0,0]=4 5969 B12R1.105 O=C(O)CNCc1ccc(s1)Br 269956a_100016091260_100000708592 [0,1,0,0,1,0|2,0,0]=4 5970 B12R1.105 O=C(O)CNCc1ccc(s1)Cl 269956a_100016091260_100000185097 [0,1,0,0,1,0|2,0,0]=4 5971 B12R1.130 O=C(O)CNCc1ccsc1Br 269956a_100016091260_100009814289 [0,1,0,0,1,0|2,0,0]=4 5972 B12R1.130 O=C(O)CNCc1ccsc1Cl 269956a_100016091260_100010167017 [0,1,0,0,1,0|2,0,0]=4 5973 B12R1.260 CN(CC(=O)O)Cc1ccsc1 269956a_100000746989_100011261437 [0,1,0,0,1,0|2,0,0]=4 5974 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,1,0,0,1,0|2,0,0]=4 5975 B12R1.477 C#CC(=O)CCCc1cccs1 1458a_100000211873_100010992444 [0,1,0,0,1,0|2,0,0]=4 5976 B12R1.477 C#CC(=O)CCCn1cccc1 1458a_100000211873_200009814367 [0,1,0,0,1,0|2,0,0]=4 5977 B12R1.477 C=CC(=O)CCCc1cccs1 1458a_100000185746_100010992444 [0,1,0,0,1,0|2,0,0]=4 5978 B12R1.477 C=CC(=O)CCCn1cccc1 1458a_100000185746_200009814367 [0,1,0,0,1,0|2,0,0]=4 5979 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,1,0,0,1,0|2,0,0]=4 5980 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,1,0,0,1,0|2,0,0]=4 5981 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000210414_200009814367 [0,1,0,0,1,0|2,0,0]=4 5982 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000691410_100000210202 [0,1,0,0,1,0|2,0,0]=4 5983 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,1,0,0,1,0|2,0,0]=4 5984 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,1,0,0,1,0|2,0,0]=4 5985 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,1,0,0,1,0|2,0,0]=4 5986 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,1,0,0,1,0|2,0,0]=4 5987 B12R1.477 CNC(=O)CCCn1cccc1 11a_106832991635_100000691410 [0,1,0,0,1,0|2,0,0]=4 5988 B12R1.477 CNC(=O)CCCn1cccc1 1626a_100102657272_100000691410 [0,1,0,0,1,0|2,0,0]=4 5989 B12R1.477 CNC(=O)CCCn1cccc1 527a_100102657272_100000691410 [0,1,0,0,1,0|2,0,0]=4 5990 B12R1.477 COC(=O)CCOc1ccsc1 34a_100000106738_100000742370 [0,1,0,0,1,0|2,0,0]=4 5991 B12R1.477 COC(=O)CCOc1ccsc1 7a_100000106738_100000204255 [0,1,0,0,1,0|2,0,0]=4 5992 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,1,0|2,0,0]=4 5993 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,1,0|2,0,0]=4 5994 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,1,0|2,0,0]=4 5995 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,1,0|2,0,0]=4 5996 B12R1.477 COC(=O)CCSc1ccoc1 62a_100000204255_100011215275 [0,1,0,0,1,0|2,0,0]=4 5997 B12R1.477 COC(=O)CCSc1ccoc1 62a_100011215275_100000204255 [0,1,0,0,1,0|2,0,0]=4 5998 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000204255_100000738268 [0,1,0,0,1,0|2,0,0]=4 5999 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000738268_100000204255 [0,1,0,0,1,0|2,0,0]=4 6000 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,1,0|2,0,0]=4 6001 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,1,0|2,0,0]=4 6002 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,1,0,0,1,0|2,0,0]=4 6003 B12R1.477 COC(=O)CNCc1ccoc1 2230a_100015206860_100000747449 [0,1,0,0,1,0|2,0,0]=4 6004 B12R1.477 COC(=O)CNCc1ccoc1 34a_100015206860_100000747449 [0,1,0,0,1,0|2,0,0]=4 6005 B12R1.477 COC(=O)CNCc1ccsc1 2230a_100000186416_100000747449 [0,1,0,0,1,0|2,0,0]=4 6006 B12R1.477 COC(=O)CNCc1ccsc1 34a_100000186416_100000747449 [0,1,0,0,1,0|2,0,0]=4 6007 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,1,0|2,0,0]=4 6008 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,1,0,0,1,0|2,0,0]=4 6009 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,1,0,0,1,0|2,0,0]=4 6010 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,1,0,0,1,0|2,0,0]=4 6011 B12R1.477 COC(=O)CSCc1ccsc1 62a_100000747449_100011233845 [0,1,0,0,1,0|2,0,0]=4 6012 B12R1.477 COC(=O)CSCc1ccsc1 62a_100011261437_100000747449 [0,1,0,0,1,0|2,0,0]=4 6013 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,1,0,0,1,0|2,0,0]=4 6014 B12R1.477 O=C(CF)CCCn1cccc1 1458a_100000691410_100015361967 [0,1,0,0,1,0|2,0,0]=4 6015 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,1,0|1,0,0]=3 6016 B12R1.477 O=C(CO)CCCn1cccc1 1458a_100000210174_200009814367 [0,1,0,0,1,0|1,0,0]=3 6017 B12R1.477 O=C(CO)CCCn1cccn1 1458a_100000210174_100000739983 [0,1,0,0,1,0|2,0,0]=4 6018 B12R1.477 O=C(CO)CCCn1ccnc1 1458a_100000210174_100000756272 [0,1,0,0,1,0|2,0,0]=4 6019 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,1,0|2,0,0]=4 6020 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,1,0|2,0,0]=4 6021 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,1,0|2,0,0]=4 6022 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,1,0|2,0,0]=4 6023 B12R1.477 O=C(CO)NCCc1ccsc1 240690a_100000692642_100000210174 [0,1,0,0,1,0|2,0,0]=4 6024 B12R1.477 O=C(CO)NCCc1ccsc1 527a_100000692642_100000210174 [0,1,0,0,1,0|2,0,0]=4 6025 B12R1.477 O=C(CO)NCCn1cccc1 240690a_100011368172_100000210174 [0,1,0,0,1,0|2,0,0]=4 6026 B12R1.477 O=C(CO)NCCn1cccc1 527a_100011368172_100000210174 [0,1,0,0,1,0|2,0,0]=4 6027 B14R1.148 C=C(Br)CCOCc1cccc(c1)Br 34a_100009813270_100000698116 [0,1,0,0,0,1|2,0,0]=4 6028 B14R1.148 C=C(Br)CCOCc1cccc(c1)C 34a_100009813270_100000211840 [0,1,0,0,0,1|2,0,0]=4 6029 B14R1.148 C=C(Br)CCOCc1cccc(c1)Cl 34a_100009813270_100000187163 [0,1,0,0,0,1|2,0,0]=4 6030 B14R1.148 C=C(Br)CCOCc1cccc(c1)F 34a_100009813270_100000187166 [0,1,0,0,0,1|2,0,0]=4 6031 B14R1.148 C=C(Br)CCOCc1cccc(c1)I 34a_100009813270_100011218688 [0,1,0,0,0,1|2,0,0]=4 6032 B14R1.148 C=C(Br)CCOCc1cccc(c1)O 34a_100009813270_100011660834 [0,1,0,0,0,1|2,0,0]=4 6033 B14R1.148 C=C(C)CCNCc1cccc(c1)Br 2230a_100000174977_100000730704 [0,1,0,0,0,1|2,0,0]=4 6034 B14R1.148 C=C(C)CCNCc1cccc(c1)Br 34a_100000174977_100000730704 [0,1,0,0,0,1|2,0,0]=4 6035 B14R1.148 C=C(C)CCNCc1cccc(c1)C 2230a_100000185548_100000730704 [0,1,0,0,0,1|2,0,0]=4 6036 B14R1.148 C=C(C)CCNCc1cccc(c1)C 34a_100000185548_100000730704 [0,1,0,0,0,1|2,0,0]=4 6037 B14R1.148 C=C(C)CCNCc1cccc(c1)Cl 2230a_100000174878_100000730704 [0,1,0,0,0,1|2,0,0]=4 6038 B14R1.148 C=C(C)CCNCc1cccc(c1)Cl 34a_100000174878_100000730704 [0,1,0,0,0,1|2,0,0]=4 6039 B14R1.148 C=C(C)CCNCc1cccc(c1)F 2230a_100000174948_100000730704 [0,1,0,0,0,1|2,0,0]=4 6040 B14R1.148 C=C(C)CCNCc1cccc(c1)F 34a_100000174948_100000730704 [0,1,0,0,0,1|2,0,0]=4 6041 B14R1.148 C=C(C)CCNCc1cccc(c1)I 2230a_100000106179_100000730704 [0,1,0,0,0,1|2,0,0]=4 6042 B14R1.148 C=C(C)CCNCc1cccc(c1)I 34a_100000106179_100000730704 [0,1,0,0,0,1|2,0,0]=4 6043 B14R1.148 C=C(C)CCNCc1cccc(c1)O 2230a_100000743036_100000730704 [0,1,0,0,0,1|2,0,0]=4 6044 B14R1.148 C=C(C)CCNCc1cccc(c1)O 34a_100000743036_100000730704 [0,1,0,0,0,1|2,0,0]=4 6045 B14R1.148 C=C(C)CCOCc1cccc(c1)Br 34a_100000687537_100000730704 [0,1,0,0,0,1|2,0,0]=4 6046 B14R1.148 C=C(C)CCOCc1cccc(c1)Br 34a_100000764851_100000698116 [0,1,0,0,0,1|2,0,0]=4 6047 B14R1.148 C=C(C)CCOCc1cccc(c1)Br 7a_100000687537_100000730704 [0,1,0,0,0,1|2,0,0]=4 6048 B14R1.148 C=C(C)CCOCc1cccc(c1)C 34a_100000764851_100000211840 [0,1,0,0,0,1|2,0,0]=4 6049 B14R1.148 C=C(C)CCOCc1cccc(c1)C 34a_100011217746_100000730704 [0,1,0,0,0,1|2,0,0]=4 6050 B14R1.148 C=C(C)CCOCc1cccc(c1)C 7a_100011217746_100000730704 [0,1,0,0,0,1|2,0,0]=4 6051 B14R1.148 C=C(C)CCOCc1cccc(c1)Cl 34a_100000241301_100000730704 [0,1,0,0,0,1|2,0,0]=4 6052 B14R1.148 C=C(C)CCOCc1cccc(c1)Cl 34a_100000764851_100000187163 [0,1,0,0,0,1|2,0,0]=4 6053 B14R1.148 C=C(C)CCOCc1cccc(c1)Cl 7a_100000241301_100000730704 [0,1,0,0,0,1|2,0,0]=4 6054 B14R1.148 C=C(C)CCOCc1cccc(c1)F 34a_100000210976_100000730704 [0,1,0,0,0,1|2,0,0]=4 6055 B14R1.148 C=C(C)CCOCc1cccc(c1)F 34a_100000764851_100000187166 [0,1,0,0,0,1|2,0,0]=4 6056 B14R1.148 C=C(C)CCOCc1cccc(c1)F 7a_100000210976_100000730704 [0,1,0,0,0,1|2,0,0]=4 6057 B14R1.148 C=C(C)CCOCc1cccc(c1)I 34a_100000764851_100011218688 [0,1,0,0,0,1|2,0,0]=4 6058 B14R1.148 C=C(C)CCOCc1cccc(c1)I 34a_100011215336_100000730704 [0,1,0,0,0,1|2,0,0]=4 6059 B14R1.148 C=C(C)CCOCc1cccc(c1)I 7a_100011215336_100000730704 [0,1,0,0,0,1|2,0,0]=4 6060 B14R1.148 C=C(C)CCOCc1cccc(c1)N 34a_100000211919_100000730704 [0,1,0,0,0,1|2,0,0]=4 6061 B14R1.148 C=C(C)CCOCc1cccc(c1)O 34a_100000764851_100011660834 [0,1,0,0,0,1|2,0,0]=4 6062 B14R1.148 C=C(C)CCSCc1cccc(c1)Br 62a_100000211773_100000730704 [0,1,0,0,0,1|2,0,0]=4 6063 B14R1.148 C=C(C)CCSCc1cccc(c1)Br 62a_100000730704_100000211773 [0,1,0,0,0,1|2,0,0]=4 6064 B14R1.148 C=C(C)CCSCc1cccc(c1)C 62a_100000211840_100000730704 [0,1,0,0,0,1|2,0,0]=4 6065 B14R1.148 C=C(C)CCSCc1cccc(c1)C 62a_100000730704_100000211840 [0,1,0,0,0,1|2,0,0]=4 6066 B14R1.148 C=C(C)CCSCc1cccc(c1)Cl 62a_100000187163_100000730704 [0,1,0,0,0,1|2,0,0]=4 6067 B14R1.148 C=C(C)CCSCc1cccc(c1)Cl 62a_100000730704_100000187163 [0,1,0,0,0,1|2,0,0]=4 6068 B14R1.148 C=C(C)CCSCc1cccc(c1)F 62a_100000230114_100000730704 [0,1,0,0,0,1|2,0,0]=4 6069 B14R1.148 C=C(C)CCSCc1cccc(c1)F 62a_100000730704_100000230114 [0,1,0,0,0,1|2,0,0]=4 6070 B14R1.148 C=C(C)CCSCc1cccc(c1)I 62a_100000730704_100011218688 [0,1,0,0,0,1|2,0,0]=4 6071 B14R1.148 C=C(C)CCSCc1cccc(c1)I 62a_100011218688_100000730704 [0,1,0,0,0,1|2,0,0]=4 6072 B14R1.148 C=C(C)CCSCc1cccc(c1)O 62a_100000730704_100011660834 [0,1,0,0,0,1|2,0,0]=4 6073 B14R1.148 C=C(C)CCSCc1cccc(c1)O 62a_100011660834_100000730704 [0,1,0,0,0,1|2,0,0]=4 6074 B14R1.148 C=C(C)CNCCc1cccc(c1)Br 2230a_100011207229_100000748629 [0,1,0,0,0,1|2,0,0]=4 6075 B14R1.148 C=C(C)CNCCc1cccc(c1)Br 34a_100011207229_100000748629 [0,1,0,0,0,1|2,0,0]=4 6076 B14R1.148 C=C(C)CNCCc1cccc(c1)C 2230a_100000749837_100000748629 [0,1,0,0,0,1|2,0,0]=4 6077 B14R1.148 C=C(C)CNCCc1cccc(c1)C 34a_100000749837_100000748629 [0,1,0,0,0,1|2,0,0]=4 6078 B14R1.148 C=C(C)CNCCc1cccc(c1)Cl 2230a_100000185263_100000748629 [0,1,0,0,0,1|2,0,0]=4 6079 B14R1.148 C=C(C)CNCCc1cccc(c1)Cl 34a_100000185263_100000748629 [0,1,0,0,0,1|2,0,0]=4 6080 B14R1.148 C=C(C)CNCCc1cccc(c1)F 2230a_100000205154_100000748629 [0,1,0,0,0,1|2,0,0]=4 6081 B14R1.148 C=C(C)CNCCc1cccc(c1)F 34a_100000205154_100000748629 [0,1,0,0,0,1|2,0,0]=4 6082 B14R1.148 C=C(C)CNCCc1cccc(c1)O 2230a_100000747277_100000748629 [0,1,0,0,0,1|2,0,0]=4 6083 B14R1.148 C=C(C)CNCCc1cccc(c1)O 34a_100000747277_100000748629 [0,1,0,0,0,1|2,0,0]=4 6084 B14R1.148 C=C(C)COCCc1cccc(c1)Br 34a_100000210245_100011740638 [0,1,0,0,0,1|2,0,0]=4 6085 B14R1.148 C=C(C)COCCc1cccc(c1)Br 34a_100011217444_100000748629 [0,1,0,0,0,1|2,0,0]=4 6086 B14R1.148 C=C(C)COCCc1cccc(c1)Br 7a_100011217444_100000748629 [0,1,0,0,0,1|2,0,0]=4 6087 B14R1.148 C=C(C)COCCc1cccc(c1)C 34a_100000210245_100011713685 [0,1,0,0,0,1|2,0,0]=4 6088 B14R1.148 C=C(C)COCCc1cccc(c1)C 34a_100011217157_100000748629 [0,1,0,0,0,1|2,0,0]=4 6089 B14R1.148 C=C(C)COCCc1cccc(c1)C 7a_100011217157_100000748629 [0,1,0,0,0,1|2,0,0]=4 6090 B14R1.148 C=C(C)COCCc1cccc(c1)Cl 34a_100000210245_100011713710 [0,1,0,0,0,1|2,0,0]=4 6091 B14R1.148 C=C(C)COCCc1cccc(c1)Cl 34a_100000754733_100000748629 [0,1,0,0,0,1|2,0,0]=4 6092 B14R1.148 C=C(C)COCCc1cccc(c1)Cl 7a_100000754733_100000748629 [0,1,0,0,0,1|2,0,0]=4 6093 B14R1.148 C=C(C)COCCc1cccc(c1)F 34a_100000210245_100011217235 [0,1,0,0,0,1|2,0,0]=4 6094 B14R1.148 C=C(C)COCCc1cccc(c1)F 34a_100000763591_100000748629 [0,1,0,0,0,1|2,0,0]=4 6095 B14R1.148 C=C(C)COCCc1cccc(c1)F 7a_100000763591_100000748629 [0,1,0,0,0,1|2,0,0]=4 6096 B14R1.148 C=C(C)COCCc1cccc(c1)N 34a_100011996697_100000748629 [0,1,0,0,0,1|2,0,0]=4 6097 B14R1.148 C=C(C)CSCCc1cccc(c1)Br 62a_100000748629_100011740638 [0,1,0,0,0,1|2,0,0]=4 6098 B14R1.148 C=C(C)CSCCc1cccc(c1)Br 62a_100011740638_100000211660 [0,1,0,0,0,1|2,0,0]=4 6099 B14R1.148 C=C(C)CSCCc1cccc(c1)C 62a_100000748629_100011713685 [0,1,0,0,0,1|2,0,0]=4 6100 B14R1.148 C=C(C)CSCCc1cccc(c1)C 62a_100011713685_100000211660 [0,1,0,0,0,1|2,0,0]=4 6101 B14R1.148 C=C(C)CSCCc1cccc(c1)Cl 62a_100000748629_100011713710 [0,1,0,0,0,1|2,0,0]=4 6102 B14R1.148 C=C(C)CSCCc1cccc(c1)Cl 62a_100011713710_100000211660 [0,1,0,0,0,1|2,0,0]=4 6103 B14R1.148 C=C(C)CSCCc1cccc(c1)F 62a_100000748629_100011217235 [0,1,0,0,0,1|2,0,0]=4 6104 B14R1.148 C=C(C)CSCCc1cccc(c1)F 62a_100011217235_100000211660 [0,1,0,0,0,1|2,0,0]=4 6105 B14R1.148 C=C(F)CNCCc1cccc(c1)Br 2230a_100011207229_100009893438 [0,1,0,0,0,1|2,0,0]=4 6106 B14R1.148 C=C(F)CNCCc1cccc(c1)Br 34a_100011207229_100009893438 [0,1,0,0,0,1|2,0,0]=4 6107 B14R1.148 C=C(F)CNCCc1cccc(c1)C 2230a_100000749837_100009893438 [0,1,0,0,0,1|2,0,0]=4 6108 B14R1.148 C=C(F)CNCCc1cccc(c1)C 34a_100000749837_100009893438 [0,1,0,0,0,1|2,0,0]=4 6109 B14R1.148 C=C(F)CNCCc1cccc(c1)Cl 2230a_100000185263_100009893438 [0,1,0,0,0,1|2,0,0]=4 6110 B14R1.148 C=C(F)CNCCc1cccc(c1)Cl 34a_100000185263_100009893438 [0,1,0,0,0,1|2,0,0]=4 6111 B14R1.148 C=C(F)CNCCc1cccc(c1)F 2230a_100000205154_100009893438 [0,1,0,0,0,1|2,0,0]=4 6112 B14R1.148 C=C(F)CNCCc1cccc(c1)F 34a_100000205154_100009893438 [0,1,0,0,0,1|2,0,0]=4 6113 B14R1.148 C=C(F)CNCCc1cccc(c1)O 2230a_100000747277_100009893438 [0,1,0,0,0,1|2,0,0]=4 6114 B14R1.148 C=C(F)CNCCc1cccc(c1)O 34a_100000747277_100009893438 [0,1,0,0,0,1|2,0,0]=4 6115 B14R1.148 C=C(F)COCCc1cccc(c1)Br 34a_100011217444_100009893438 [0,1,0,0,0,1|2,0,0]=4 6116 B14R1.148 C=C(F)COCCc1cccc(c1)Br 34a_200010262243_100011740638 [0,1,0,0,0,1|2,0,0]=4 6117 B14R1.148 C=C(F)COCCc1cccc(c1)Br 7a_100011217444_100000042424 [0,1,0,0,0,1|2,0,0]=4 6118 B14R1.148 C=C(F)COCCc1cccc(c1)C 34a_100011217157_100009893438 [0,1,0,0,0,1|2,0,0]=4 6119 B14R1.148 C=C(F)COCCc1cccc(c1)C 34a_200010262243_100011713685 [0,1,0,0,0,1|2,0,0]=4 6120 B14R1.148 C=C(F)COCCc1cccc(c1)C 7a_100011217157_100000042424 [0,1,0,0,0,1|2,0,0]=4 6121 B14R1.148 C=C(F)COCCc1cccc(c1)Cl 34a_100000754733_100009893438 [0,1,0,0,0,1|2,0,0]=4 6122 B14R1.148 C=C(F)COCCc1cccc(c1)Cl 34a_200010262243_100011713710 [0,1,0,0,0,1|2,0,0]=4 6123 B14R1.148 C=C(F)COCCc1cccc(c1)Cl 7a_100000754733_100000042424 [0,1,0,0,0,1|2,0,0]=4 6124 B14R1.148 C=C(F)COCCc1cccc(c1)F 34a_100000763591_100009893438 [0,1,0,0,0,1|2,0,0]=4 6125 B14R1.148 C=C(F)COCCc1cccc(c1)F 34a_200010262243_100011217235 [0,1,0,0,0,1|2,0,0]=4 6126 B14R1.148 C=C(F)COCCc1cccc(c1)F 7a_100000763591_100000042424 [0,1,0,0,0,1|2,0,0]=4 6127 B14R1.148 C=C(F)COCCc1cccc(c1)N 34a_100011996697_100009893438 [0,1,0,0,0,1|2,0,0]=4 6128 B14R1.148 C=C(F)CSCCc1cccc(c1)Br 62a_100000042424_100011740638 [0,1,0,0,0,1|2,0,0]=4 6129 B14R1.148 C=C(F)CSCCc1cccc(c1)Br 62a_100011740638_100000042424 [0,1,0,0,0,1|2,0,0]=4 6130 B14R1.148 C=C(F)CSCCc1cccc(c1)C 62a_100000042424_100011713685 [0,1,0,0,0,1|2,0,0]=4 6131 B14R1.148 C=C(F)CSCCc1cccc(c1)C 62a_100011713685_100000042424 [0,1,0,0,0,1|2,0,0]=4 6132 B14R1.148 C=C(F)CSCCc1cccc(c1)Cl 62a_100000042424_100011713710 [0,1,0,0,0,1|2,0,0]=4 6133 B14R1.148 C=C(F)CSCCc1cccc(c1)Cl 62a_100011713710_100000042424 [0,1,0,0,0,1|2,0,0]=4 6134 B14R1.148 C=C(F)CSCCc1cccc(c1)F 62a_100000042424_100011217235 [0,1,0,0,0,1|2,0,0]=4 6135 B14R1.148 C=C(F)CSCCc1cccc(c1)F 62a_100011217235_100000042424 [0,1,0,0,0,1|2,0,0]=4 6136 B14R1.148 CC(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200000210301 [0,1,0,0,0,1|1,0,0]=3 6137 B14R1.148 CC(=O)CCCNc1cccc(c1)Br 34a_100000210019_100000685027 [0,1,0,0,0,1|1,0,0]=3 6138 B14R1.148 CC(=O)CCCNc1cccc(c1)C 34a_100000188690_100000685027 [0,1,0,0,0,1|1,0,0]=3 6139 B14R1.148 CC(=O)CCCNc1cccc(c1)Cl 34a_100000185859_100000685027 [0,1,0,0,0,1|1,0,0]=3 6140 B14R1.148 CC(=O)CCCNc1cccc(c1)F 34a_100000210047_100000685027 [0,1,0,0,0,1|1,0,0]=3 6141 B14R1.148 CC(=O)CCCNc1cccc(c1)I 34a_100000211102_100000685027 [0,1,0,0,0,1|1,0,0]=3 6142 B14R1.148 CC(=O)CCCNc1cccc(c1)O 34a_100000210217_100000685027 [0,1,0,0,0,1|1,0,0]=3 6143 B14R1.148 CC(=O)CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000685027 [0,1,0,0,0,1|2,0,0]=4 6144 B14R1.148 CC(=O)CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000685027 [0,1,0,0,0,1|2,0,0]=4 6145 B14R1.148 CC(=O)CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100011215641 [0,1,0,0,0,1|2,0,0]=4 6146 B14R1.148 CC(=O)CCCOc1cccc(=O)[nH]1 34a_100000033347_100000685027 [0,1,0,0,0,1|2,0,0]=4 6147 B14R1.148 CC(=O)CCCOc1cccc(c1)Br 34a_100000210342_100000685027 [0,1,0,0,0,1|1,0,0]=3 6148 B14R1.148 CC(=O)CCCOc1cccc(c1)Br 7a_100000210342_100011215641 [0,1,0,0,0,1|1,0,0]=3 6149 B14R1.148 CC(=O)CCCOc1cccc(c1)C 1458a_100000070787_100000212303 [0,1,0,0,0,1|1,0,0]=3 6150 B14R1.148 CC(=O)CCCOc1cccc(c1)C 1458a_100000183260_200000210301 [0,1,0,0,0,1|1,0,0]=3 6151 B14R1.148 CC(=O)CCCOc1cccc(c1)C 34a_100000210337_100000685027 [0,1,0,0,0,1|1,0,0]=3 6152 B14R1.148 CC(=O)CCCOc1cccc(c1)C 7a_100000210337_100011215641 [0,1,0,0,0,1|1,0,0]=3 6153 B14R1.148 CC(=O)CCCOc1cccc(c1)Cl 1458a_100000070787_100000742658 [0,1,0,0,0,1|1,0,0]=3 6154 B14R1.148 CC(=O)CCCOc1cccc(c1)Cl 34a_100000210295_100000685027 [0,1,0,0,0,1|1,0,0]=3 6155 B14R1.148 CC(=O)CCCOc1cccc(c1)Cl 7a_100000210295_100011215641 [0,1,0,0,0,1|1,0,0]=3 6156 B14R1.148 CC(=O)CCCOc1cccc(c1)F 34a_100000210426_100000685027 [0,1,0,0,0,1|1,0,0]=3 6157 B14R1.148 CC(=O)CCCOc1cccc(c1)F 7a_100000210426_100011215641 [0,1,0,0,0,1|1,0,0]=3 6158 B14R1.148 CC(=O)CCCOc1cccc(c1)I 34a_100000211634_100000685027 [0,1,0,0,0,1|1,0,0]=3 6159 B14R1.148 CC(=O)CCCOc1cccc(c1)I 7a_100000211634_100011215641 [0,1,0,0,0,1|1,0,0]=3 6160 B14R1.148 CC(=O)CCCOc1cccc(c1)N 34a_100000210217_100000685027 [0,1,0,0,0,1|1,0,0]=3 6161 B14R1.148 CC(=O)CCCOc1cccc(c1)O 1458a_200009913207_200000210301 [0,1,0,0,0,1|1,0,0]=3 6162 B14R1.148 CC(=O)CCCOc1cccc(n1)F 34a_100011432558_100000685027 [0,1,0,0,0,1|2,0,0]=4 6163 B14R1.148 CC(=O)CCCOc1ccnc(c1)C 34a_100000688365_100000685027 [0,1,0,0,0,1|2,0,0]=4 6164 B14R1.148 CC(=O)CCCOc1ccnc(c1)Cl 34a_100000762945_100000685027 [0,1,0,0,0,1|2,0,0]=4 6165 B14R1.148 CC(=O)CCCOc1ccnc(c1)F 34a_100000732698_100000685027 [0,1,0,0,0,1|2,0,0]=4 6166 B14R1.148 CC(=O)CCCOc1ccnc(c1)N 34a_100011834064_100000685027 [0,1,0,0,0,1|2,0,0]=4 6167 B14R1.148 CC(=O)CCCOc1cncc(c1)Br 34a_100000754920_100000685027 [0,1,0,0,0,1|2,0,0]=4 6168 B14R1.148 CC(=O)CCCOc1cncc(c1)Br 7a_100000754920_100011215641 [0,1,0,0,0,1|2,0,0]=4 6169 B14R1.148 CC(=O)CCCOc1cncc(c1)C 34a_100011830280_100000685027 [0,1,0,0,0,1|2,0,0]=4 6170 B14R1.148 CC(=O)CCCOc1cncc(c1)C 7a_100011830280_100011215641 [0,1,0,0,0,1|2,0,0]=4 6171 B14R1.148 CC(=O)CCCOc1cncc(c1)Cl 7a_100000032511_100011215641 [0,1,0,0,0,1|2,0,0]=4 6172 B14R1.148 CC(=O)CCCOc1cncc(c1)F 34a_100011830296_100000685027 [0,1,0,0,0,1|2,0,0]=4 6173 B14R1.148 CC(=O)CCCOc1cncc(c1)F 7a_100011830296_100011215641 [0,1,0,0,0,1|2,0,0]=4 6174 B14R1.148 CC(=O)CCCOc1cncc(c1)N 34a_100011997051_100000685027 [0,1,0,0,0,1|2,0,0]=4 6175 B14R1.148 CC(=O)CCCSc1cc(=O)cc[nH]1 62a_100009817434_100011215641 [0,1,0,0,0,1|2,0,0]=4 6176 B14R1.148 CC(=O)CCCSc1cc(ccn1)C 62a_100000750283_100011215641 [0,1,0,0,0,1|2,0,0]=4 6177 B14R1.148 CC(=O)CCCSc1cc(ccn1)C 62a_100011215641_100000750283 [0,1,0,0,0,1|2,0,0]=4 6178 B14R1.148 CC(=O)CCCSc1cc(ccn1)Cl 62a_100010167805_100011215641 [0,1,0,0,0,1|2,0,0]=4 6179 B14R1.148 CC(=O)CCCSc1cc(ccn1)Cl 62a_100011215641_100010167805 [0,1,0,0,0,1|2,0,0]=4 6180 B14R1.148 CC(=O)CCCSc1cc(ccn1)F 62a_100000764206_100011215641 [0,1,0,0,0,1|2,0,0]=4 6181 B14R1.148 CC(=O)CCCSc1cc(ccn1)F 62a_100011215641_100000764206 [0,1,0,0,0,1|2,0,0]=4 6182 B14R1.148 CC(=O)CCCSc1cc(ccn1)N 62a_100009814236_100011215641 [0,1,0,0,0,1|2,0,0]=4 6183 B14R1.148 CC(=O)CCCSc1cc(ccn1)N 62a_100011215641_100009814236 [0,1,0,0,0,1|2,0,0]=4 6184 B14R1.148 CC(=O)CCCSc1cc(ccn1)O 62a_100011215641_100000762945 [0,1,0,0,0,1|2,0,0]=4 6185 B14R1.148 CC(=O)CCCSc1cc[nH]c(=O)c1 62a_100009816521_100011215641 [0,1,0,0,0,1|2,0,0]=4 6186 B14R1.148 CC(=O)CCCSc1cc[nH]c(=O)c1 62a_100011215641_100009816521 [0,1,0,0,0,1|2,0,0]=4 6187 B14R1.148 CC(=O)CCCSc1ccc[n+](c1)C 62a_100009996589_100011215641 [0,1,0,0,0,1|2,0,0]=4 6188 B14R1.148 CC(=O)CCCSc1ccc[n+](c1)C 62a_100011215641_100009996589 [0,1,0,0,0,1|2,0,0]=4 6189 B14R1.148 CC(=O)CCCSc1ccc[n+](c1)[O-] 62a_100011215641_100009815978 [0,1,0,0,0,1|2,0,0]=4 6190 B14R1.148 CC(=O)CCCSc1cccc(=O)[nH]1 62a_100011215641_100000752884 [0,1,0,0,0,1|2,0,0]=4 6191 B14R1.148 CC(=O)CCCSc1cccc(c1)Br 62a_100000691529_100011215641 [0,1,0,0,0,1|1,0,0]=3 6192 B14R1.148 CC(=O)CCCSc1cccc(c1)Br 62a_100011215641_100000691529 [0,1,0,0,0,1|1,0,0]=3 6193 B14R1.148 CC(=O)CCCSc1cccc(c1)C 62a_100011215228_100011215641 [0,1,0,0,0,1|1,0,0]=3 6194 B14R1.148 CC(=O)CCCSc1cccc(c1)C 62a_100011215641_100011215228 [0,1,0,0,0,1|1,0,0]=3 6195 B14R1.148 CC(=O)CCCSc1cccc(c1)Cl 62a_100000699651_100011215641 [0,1,0,0,0,1|1,0,0]=3 6196 B14R1.148 CC(=O)CCCSc1cccc(c1)Cl 62a_100011215641_100000699651 [0,1,0,0,0,1|1,0,0]=3 6197 B14R1.148 CC(=O)CCCSc1cccc(c1)F 62a_100000685547_100011215641 [0,1,0,0,0,1|1,0,0]=3 6198 B14R1.148 CC(=O)CCCSc1cccc(c1)F 62a_100011215641_100000685547 [0,1,0,0,0,1|1,0,0]=3 6199 B14R1.148 CC(=O)CCCSc1cccc(c1)N 62a_100000210019_100011215641 [0,1,0,0,0,1|1,0,0]=3 6200 B14R1.148 CC(=O)CCCSc1cccc(c1)N 62a_100011215641_100000210019 [0,1,0,0,0,1|1,0,0]=3 6201 B14R1.148 CC(=O)CCCSc1cccc(c1)O 62a_100011215641_100000211634 [0,1,0,0,0,1|1,0,0]=3 6202 B14R1.148 CC(=O)CCCSc1cccc(c1)[S] 62a_100011215641_114929384022 [0,1,0,0,0,1|1,0,0]=3 6203 B14R1.148 CC(=O)CCCSc1cccc(c1)[S] 62a_114929384022_100011215641 [0,1,0,0,0,1|1,0,0]=3 6204 B14R1.148 CC(=O)CCCSc1cccc(n1)Br 62a_100000684672_100011215641 [0,1,0,0,0,1|2,0,0]=4 6205 B14R1.148 CC(=O)CCCSc1cccc(n1)Br 62a_100011215641_100000684672 [0,1,0,0,0,1|2,0,0]=4 6206 B14R1.148 CC(=O)CCCSc1cccc(n1)C 62a_100000742759_100011215641 [0,1,0,0,0,1|2,0,0]=4 6207 B14R1.148 CC(=O)CCCSc1cccc(n1)C 62a_100011215641_100000742759 [0,1,0,0,0,1|2,0,0]=4 6208 B14R1.148 CC(=O)CCCSc1cccc(n1)Cl 62a_100000051397_100011215641 [0,1,0,0,0,1|2,0,0]=4 6209 B14R1.148 CC(=O)CCCSc1cccc(n1)Cl 62a_100011215641_100000051397 [0,1,0,0,0,1|2,0,0]=4 6210 B14R1.148 CC(=O)CCCSc1cccc(n1)F 62a_100009815982_100011215641 [0,1,0,0,0,1|2,0,0]=4 6211 B14R1.148 CC(=O)CCCSc1cccc(n1)F 62a_100011215641_100009815982 [0,1,0,0,0,1|2,0,0]=4 6212 B14R1.148 CC(=O)CCCSc1cccc(n1)N 62a_100000740741_100011215641 [0,1,0,0,0,1|2,0,0]=4 6213 B14R1.148 CC(=O)CCCSc1cccc(n1)N 62a_100011215641_100000740741 [0,1,0,0,0,1|2,0,0]=4 6214 B14R1.148 CC(=O)CCCSc1ccnc(c1)Br 62a_100009814637_100011215641 [0,1,0,0,0,1|2,0,0]=4 6215 B14R1.148 CC(=O)CCCSc1ccnc(c1)Br 62a_100011215641_100009814637 [0,1,0,0,0,1|2,0,0]=4 6216 B14R1.148 CC(=O)CCCSc1ccnc(c1)C 62a_100000758586_100011215641 [0,1,0,0,0,1|2,0,0]=4 6217 B14R1.148 CC(=O)CCCSc1ccnc(c1)C 62a_100011215641_100000758586 [0,1,0,0,0,1|2,0,0]=4 6218 B14R1.148 CC(=O)CCCSc1ccnc(c1)Cl 62a_100000035001_100011215641 [0,1,0,0,0,1|2,0,0]=4 6219 B14R1.148 CC(=O)CCCSc1ccnc(c1)Cl 62a_100011215641_100000035001 [0,1,0,0,0,1|2,0,0]=4 6220 B14R1.148 CC(=O)CCCSc1ccnc(c1)F 62a_100009816116_100011215641 [0,1,0,0,0,1|2,0,0]=4 6221 B14R1.148 CC(=O)CCCSc1ccnc(c1)F 62a_100011215641_100009816116 [0,1,0,0,0,1|2,0,0]=4 6222 B14R1.148 CC(=O)CCCSc1ccnc(c1)N 62a_100000049665_100011215641 [0,1,0,0,0,1|2,0,0]=4 6223 B14R1.148 CC(=O)CCCSc1ccnc(c1)N 62a_100011215641_100000049665 [0,1,0,0,0,1|2,0,0]=4 6224 B14R1.148 CC(=O)CCCSc1cncc(c1)Br 62a_100000728054_100011215641 [0,1,0,0,0,1|2,0,0]=4 6225 B14R1.148 CC(=O)CCCSc1cncc(c1)Br 62a_100011215641_100000728054 [0,1,0,0,0,1|2,0,0]=4 6226 B14R1.148 CC(=O)CCCSc1cncc(c1)C 62a_100000760492_100011215641 [0,1,0,0,0,1|2,0,0]=4 6227 B14R1.148 CC(=O)CCCSc1cncc(c1)C 62a_100011215641_100000760492 [0,1,0,0,0,1|2,0,0]=4 6228 B14R1.148 CC(=O)CCCSc1cncc(c1)Cl 62a_100000049639_100011215641 [0,1,0,0,0,1|2,0,0]=4 6229 B14R1.148 CC(=O)CCCSc1cncc(c1)Cl 62a_100011215641_100000049639 [0,1,0,0,0,1|2,0,0]=4 6230 B14R1.148 CC(=O)CCCSc1cncc(c1)F 62a_100000744099_100011215641 [0,1,0,0,0,1|2,0,0]=4 6231 B14R1.148 CC(=O)CCCSc1cncc(c1)F 62a_100011215641_100000744099 [0,1,0,0,0,1|2,0,0]=4 6232 B14R1.148 CC(=O)CCCSc1cncc(c1)N 62a_100000687067_100011215641 [0,1,0,0,0,1|2,0,0]=4 6233 B14R1.148 CC(=O)CCCSc1cncc(c1)N 62a_100011215641_100000687067 [0,1,0,0,0,1|2,0,0]=4 6234 B14R1.148 CC(=O)CCCSc1cncc(c1)O 62a_100000754920_100011215641 [0,1,0,0,0,1|2,0,0]=4 6235 B14R1.148 CC(=O)CCCSc1cncc(c1)O 62a_100011215641_100000754920 [0,1,0,0,0,1|2,0,0]=4 6236 B14R1.148 CC(=O)CCOCc1cc(ccn1)Br 34a_100000759926_100010173614 [0,1,0,0,0,1|2,0,0]=4 6237 B14R1.148 CC(=O)CCOCc1cc(ccn1)Br 7a_100000759926_100010173614 [0,1,0,0,0,1|2,0,0]=4 6238 B14R1.148 CC(=O)CCOCc1cc(ccn1)C 34a_100000759926_100000718516 [0,1,0,0,0,1|2,0,0]=4 6239 B14R1.148 CC(=O)CCOCc1cc(ccn1)C 7a_100000759926_100000718516 [0,1,0,0,0,1|2,0,0]=4 6240 B14R1.148 CC(=O)CCOCc1cc(ccn1)Cl 34a_100000759926_100016988179 [0,1,0,0,0,1|2,0,0]=4 6241 B14R1.148 CC(=O)CCOCc1cc(ccn1)Cl 7a_100000759926_100016988179 [0,1,0,0,0,1|2,0,0]=4 6242 B14R1.148 CC(=O)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000053229 [0,1,0,0,0,1|2,0,0]=4 6243 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 34a_100000759926_100000698116 [0,1,0,0,0,1|1,0,0]=3 6244 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000053229 [0,1,0,0,0,1|1,0,0]=3 6245 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 7a_100000759926_100000211773 [0,1,0,0,0,1|1,0,0]=3 6246 B14R1.148 CC(=O)CCOCc1cccc(c1)C 34a_100000759926_100000211840 [0,1,0,0,0,1|1,0,0]=3 6247 B14R1.148 CC(=O)CCOCc1cccc(c1)C 7a_100000759926_100000211840 [0,1,0,0,0,1|1,0,0]=3 6248 B14R1.148 CC(=O)CCOCc1cccc(c1)C 7a_100011217746_100000053229 [0,1,0,0,0,1|1,0,0]=3 6249 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 34a_100000759926_100000187163 [0,1,0,0,0,1|1,0,0]=3 6250 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000053229 [0,1,0,0,0,1|1,0,0]=3 6251 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 7a_100000759926_100000187163 [0,1,0,0,0,1|1,0,0]=3 6252 B14R1.148 CC(=O)CCOCc1cccc(c1)F 34a_100000759926_100000187166 [0,1,0,0,0,1|1,0,0]=3 6253 B14R1.148 CC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000053229 [0,1,0,0,0,1|1,0,0]=3 6254 B14R1.148 CC(=O)CCOCc1cccc(c1)F 7a_100000759926_100000230114 [0,1,0,0,0,1|1,0,0]=3 6255 B14R1.148 CC(=O)CCOCc1cccc(c1)I 34a_100000759926_100011218688 [0,1,0,0,0,1|1,0,0]=3 6256 B14R1.148 CC(=O)CCOCc1cccc(c1)I 7a_100000759926_100011218688 [0,1,0,0,0,1|1,0,0]=3 6257 B14R1.148 CC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000053229 [0,1,0,0,0,1|1,0,0]=3 6258 B14R1.148 CC(=O)CCOCc1cccc(c1)O 34a_100000759926_100011660834 [0,1,0,0,0,1|1,0,0]=3 6259 B14R1.148 CC(=O)CCOCc1cccc(c1)O 7a_100000759926_100000084143 [0,1,0,0,0,1|1,0,0]=3 6260 B14R1.148 CC(=O)CCOCc1cccc(n1)Br 34a_100000759926_100009889011 [0,1,0,0,0,1|2,0,0]=4 6261 B14R1.148 CC(=O)CCOCc1cccc(n1)Br 7a_100000759926_100009889011 [0,1,0,0,0,1|2,0,0]=4 6262 B14R1.148 CC(=O)CCOCc1cccc(n1)C 34a_100000759926_100000757606 [0,1,0,0,0,1|2,0,0]=4 6263 B14R1.148 CC(=O)CCOCc1cccc(n1)C 7a_100000759926_100000757606 [0,1,0,0,0,1|2,0,0]=4 6264 B14R1.148 CC(=O)CCOCc1cccc(n1)Cl 34a_100000759926_100000086093 [0,1,0,0,0,1|2,0,0]=4 6265 B14R1.148 CC(=O)CCOCc1cccc(n1)Cl 7a_100000759926_100000086093 [0,1,0,0,0,1|2,0,0]=4 6266 B14R1.148 CC(=O)CCOCc1cccc(n1)F 34a_100000759926_100009819644 [0,1,0,0,0,1|2,0,0]=4 6267 B14R1.148 CC(=O)CCOCc1cccc(n1)F 7a_100000759926_100009819644 [0,1,0,0,0,1|2,0,0]=4 6268 B14R1.148 CC(=O)CCOCc1ccnc(c1)Br 34a_100000759926_100010243470 [0,1,0,0,0,1|2,0,0]=4 6269 B14R1.148 CC(=O)CCOCc1ccnc(c1)Br 7a_100000759926_100010254460 [0,1,0,0,0,1|2,0,0]=4 6270 B14R1.148 CC(=O)CCOCc1ccnc(c1)Br 7a_100009814636_100000053229 [0,1,0,0,0,1|2,0,0]=4 6271 B14R1.148 CC(=O)CCOCc1ccnc(c1)C 34a_100000759926_200020672517 [0,1,0,0,0,1|2,0,0]=4 6272 B14R1.148 CC(=O)CCOCc1ccnc(c1)C 7a_100000759926_200020672517 [0,1,0,0,0,1|2,0,0]=4 6273 B14R1.148 CC(=O)CCOCc1ccnc(c1)Cl 34a_100000759926_100000764220 [0,1,0,0,0,1|2,0,0]=4 6274 B14R1.148 CC(=O)CCOCc1ccnc(c1)Cl 7a_100000759926_100000764220 [0,1,0,0,0,1|2,0,0]=4 6275 B14R1.148 CC(=O)CCOCc1cncc(c1)Br 34a_100000759926_100000738771 [0,1,0,0,0,1|2,0,0]=4 6276 B14R1.148 CC(=O)CCOCc1cncc(c1)Br 7a_100000759926_100000738771 [0,1,0,0,0,1|2,0,0]=4 6277 B14R1.148 CC(=O)CCOCc1cncc(c1)Br 7a_100011259137_100000053229 [0,1,0,0,0,1|2,0,0]=4 6278 B14R1.148 CC(=O)CCOCc1cncc(c1)C 34a_100000759926_100000716715 [0,1,0,0,0,1|2,0,0]=4 6279 B14R1.148 CC(=O)CCOCc1cncc(c1)C 7a_100000759926_100000716715 [0,1,0,0,0,1|2,0,0]=4 6280 B14R1.148 CC(=O)CCOCc1cncc(c1)C 7a_100011998709_100000053229 [0,1,0,0,0,1|2,0,0]=4 6281 B14R1.148 CC(=O)CCOCc1cncc(c1)Cl 34a_100000759926_100016992070 [0,1,0,0,0,1|2,0,0]=4 6282 B14R1.148 CC(=O)CCOCc1cncc(c1)Cl 7a_100000092867_100000053229 [0,1,0,0,0,1|2,0,0]=4 6283 B14R1.148 CC(=O)CCOCc1cncc(c1)Cl 7a_100000759926_100016992070 [0,1,0,0,0,1|2,0,0]=4 6284 B14R1.148 CC(=O)CCOCc1cncc(c1)F 34a_100000759926_100000725299 [0,1,0,0,0,1|2,0,0]=4 6285 B14R1.148 CC(=O)CCOCc1cncc(c1)F 7a_100000759926_100000725299 [0,1,0,0,0,1|2,0,0]=4 6286 B14R1.148 CC(=O)CCOCc1cncc(c1)F 7a_100011962875_100000053229 [0,1,0,0,0,1|2,0,0]=4 6287 B14R1.148 CC(=O)CCSCc1cc(ccn1)Br 62a_100000053229_100010173614 [0,1,0,0,0,1|2,0,0]=4 6288 B14R1.148 CC(=O)CCSCc1cc(ccn1)Br 62a_100010173614_100000053229 [0,1,0,0,0,1|2,0,0]=4 6289 B14R1.148 CC(=O)CCSCc1cc(ccn1)C 62a_100000053229_100000718516 [0,1,0,0,0,1|2,0,0]=4 6290 B14R1.148 CC(=O)CCSCc1cc(ccn1)C 62a_100000718516_100000053229 [0,1,0,0,0,1|2,0,0]=4 6291 B14R1.148 CC(=O)CCSCc1cc(ccn1)Cl 62a_100000053229_100016988179 [0,1,0,0,0,1|2,0,0]=4 6292 B14R1.148 CC(=O)CCSCc1cc(ccn1)Cl 62a_100016988179_100000053229 [0,1,0,0,0,1|2,0,0]=4 6293 B14R1.148 CC(=O)CCSCc1cccc(c1)Br 62a_100000053229_100000211773 [0,1,0,0,0,1|1,0,0]=3 6294 B14R1.148 CC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000053229 [0,1,0,0,0,1|1,0,0]=3 6295 B14R1.148 CC(=O)CCSCc1cccc(c1)C 62a_100000053229_100000211840 [0,1,0,0,0,1|1,0,0]=3 6296 B14R1.148 CC(=O)CCSCc1cccc(c1)C 62a_100000211840_100000053229 [0,1,0,0,0,1|1,0,0]=3 6297 B14R1.148 CC(=O)CCSCc1cccc(c1)Cl 62a_100000053229_100000187163 [0,1,0,0,0,1|1,0,0]=3 6298 B14R1.148 CC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000053229 [0,1,0,0,0,1|1,0,0]=3 6299 B14R1.148 CC(=O)CCSCc1cccc(c1)F 62a_100000053229_100000230114 [0,1,0,0,0,1|1,0,0]=3 6300 B14R1.148 CC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000053229 [0,1,0,0,0,1|1,0,0]=3 6301 B14R1.148 CC(=O)CCSCc1cccc(c1)I 62a_100000053229_100011218688 [0,1,0,0,0,1|1,0,0]=3 6302 B14R1.148 CC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000053229 [0,1,0,0,0,1|1,0,0]=3 6303 B14R1.148 CC(=O)CCSCc1cccc(c1)O 62a_100000053229_100011660834 [0,1,0,0,0,1|1,0,0]=3 6304 B14R1.148 CC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000053229 [0,1,0,0,0,1|1,0,0]=3 6305 B14R1.148 CC(=O)CCSCc1cccc(n1)Br 62a_100000053229_100009889011 [0,1,0,0,0,1|2,0,0]=4 6306 B14R1.148 CC(=O)CCSCc1cccc(n1)Br 62a_100009889011_100000053229 [0,1,0,0,0,1|2,0,0]=4 6307 B14R1.148 CC(=O)CCSCc1cccc(n1)C 62a_100000053229_100000757606 [0,1,0,0,0,1|2,0,0]=4 6308 B14R1.148 CC(=O)CCSCc1cccc(n1)C 62a_100000757606_100000053229 [0,1,0,0,0,1|2,0,0]=4 6309 B14R1.148 CC(=O)CCSCc1cccc(n1)Cl 62a_100000053229_100000086093 [0,1,0,0,0,1|2,0,0]=4 6310 B14R1.148 CC(=O)CCSCc1cccc(n1)Cl 62a_100000086093_100000053229 [0,1,0,0,0,1|2,0,0]=4 6311 B14R1.148 CC(=O)CCSCc1cccc(n1)F 62a_100000053229_100009819644 [0,1,0,0,0,1|2,0,0]=4 6312 B14R1.148 CC(=O)CCSCc1cccc(n1)F 62a_100009819644_100000053229 [0,1,0,0,0,1|2,0,0]=4 6313 B14R1.148 CC(=O)CCSCc1ccnc(c1)Br 62a_100000053229_100010243470 [0,1,0,0,0,1|2,0,0]=4 6314 B14R1.148 CC(=O)CCSCc1ccnc(c1)Br 62a_100010254460_100000053229 [0,1,0,0,0,1|2,0,0]=4 6315 B14R1.148 CC(=O)CCSCc1ccnc(c1)C 62a_100000053229_200020672517 [0,1,0,0,0,1|2,0,0]=4 6316 B14R1.148 CC(=O)CCSCc1ccnc(c1)C 62a_200020672517_100000053229 [0,1,0,0,0,1|2,0,0]=4 6317 B14R1.148 CC(=O)CCSCc1ccnc(c1)Cl 62a_100000053229_100000764220 [0,1,0,0,0,1|2,0,0]=4 6318 B14R1.148 CC(=O)CCSCc1ccnc(c1)Cl 62a_100000764220_100000053229 [0,1,0,0,0,1|2,0,0]=4 6319 B14R1.148 CC(=O)CCSCc1cncc(c1)Br 62a_100000053229_100000738771 [0,1,0,0,0,1|2,0,0]=4 6320 B14R1.148 CC(=O)CCSCc1cncc(c1)Br 62a_100000738771_100000053229 [0,1,0,0,0,1|2,0,0]=4 6321 B14R1.148 CC(=O)CCSCc1cncc(c1)C 62a_100000053229_100000716715 [0,1,0,0,0,1|2,0,0]=4 6322 B14R1.148 CC(=O)CCSCc1cncc(c1)C 62a_100000716715_100000053229 [0,1,0,0,0,1|2,0,0]=4 6323 B14R1.148 CC(=O)CCSCc1cncc(c1)Cl 62a_100000053229_100016992070 [0,1,0,0,0,1|2,0,0]=4 6324 B14R1.148 CC(=O)CCSCc1cncc(c1)Cl 62a_100016992070_100000053229 [0,1,0,0,0,1|2,0,0]=4 6325 B14R1.148 CC(=O)CCSCc1cncc(c1)F 62a_100000053229_100000725299 [0,1,0,0,0,1|2,0,0]=4 6326 B14R1.148 CC(=O)CCSCc1cncc(c1)F 62a_100000725299_100000053229 [0,1,0,0,0,1|2,0,0]=4 6327 B14R1.148 CC(=O)COCCc1cccc(c1)Br 34a_100000211253_100011740638 [0,1,0,0,0,1|1,0,0]=3 6328 B14R1.148 CC(=O)COCCc1cccc(c1)C 34a_100000211253_100011713685 [0,1,0,0,0,1|1,0,0]=3 6329 B14R1.148 CC(=O)COCCc1cccc(c1)Cl 34a_100000211253_100011713710 [0,1,0,0,0,1|1,0,0]=3 6330 B14R1.148 CC(=O)COCCc1cccc(c1)F 34a_100000211253_100011217235 [0,1,0,0,0,1|1,0,0]=3 6331 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 11a_100000753791_100015343762 [0,1,0,0,0,1|1,0,0]=3 6332 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 1626a_100000753791_100015343762 [0,1,0,0,0,1|1,0,0]=3 6333 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 240690a_100000753791_100015343762 [0,1,0,0,0,1|1,0,0]=3 6334 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 527a_100000753791_100103153847 [0,1,0,0,0,1|1,0,0]=3 6335 B14R1.148 CC(=O)NCCCc1cccc(c1)C 11a_103496528808_100015343762 [0,1,0,0,0,1|1,0,0]=3 6336 B14R1.148 CC(=O)NCCCc1cccc(c1)C 1626a_103496528808_100015343762 [0,1,0,0,0,1|1,0,0]=3 6337 B14R1.148 CC(=O)NCCCc1cccc(c1)C 240690a_103496528808_100015343762 [0,1,0,0,0,1|1,0,0]=3 6338 B14R1.148 CC(=O)NCCCc1cccc(c1)C 527a_103496528808_100103153847 [0,1,0,0,0,1|1,0,0]=3 6339 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 11a_100000704586_100015343762 [0,1,0,0,0,1|1,0,0]=3 6340 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 1626a_100000704586_100015343762 [0,1,0,0,0,1|1,0,0]=3 6341 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 240690a_100000704586_100015343762 [0,1,0,0,0,1|1,0,0]=3 6342 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 527a_100000704586_100103153847 [0,1,0,0,0,1|1,0,0]=3 6343 B14R1.148 CC(=O)NCCCc1cccc(c1)F 11a_100000754185_100015343762 [0,1,0,0,0,1|1,0,0]=3 6344 B14R1.148 CC(=O)NCCCc1cccc(c1)F 1626a_100000754185_100015343762 [0,1,0,0,0,1|1,0,0]=3 6345 B14R1.148 CC(=O)NCCCc1cccc(c1)F 240690a_100000754185_100015343762 [0,1,0,0,0,1|1,0,0]=3 6346 B14R1.148 CC(=O)NCCCc1cccc(c1)F 527a_100000754185_100103153847 [0,1,0,0,0,1|1,0,0]=3 6347 B14R1.148 CC(=O)NCCNc1cccc(c1)C 2230a_100000188690_100000189650 [0,1,0,0,0,1|2,0,0]=4 6348 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 11a_100000743521_100015343762 [0,1,0,0,0,1|2,0,0]=4 6349 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 1626a_100000743521_100015343762 [0,1,0,0,0,1|2,0,0]=4 6350 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 240690a_100000743521_100015343762 [0,1,0,0,0,1|2,0,0]=4 6351 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 527a_100000743521_100103153847 [0,1,0,0,0,1|2,0,0]=4 6352 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 7a_100000210342_100000189650 [0,1,0,0,0,1|2,0,0]=4 6353 B14R1.148 CC(=O)NCCOc1cccc(c1)C 11a_100015185188_100015343762 [0,1,0,0,0,1|2,0,0]=4 6354 B14R1.148 CC(=O)NCCOc1cccc(c1)C 1626a_100015185188_100015343762 [0,1,0,0,0,1|2,0,0]=4 6355 B14R1.148 CC(=O)NCCOc1cccc(c1)C 240690a_100015185188_100015343762 [0,1,0,0,0,1|2,0,0]=4 6356 B14R1.148 CC(=O)NCCOc1cccc(c1)C 527a_100015185188_100103153847 [0,1,0,0,0,1|2,0,0]=4 6357 B14R1.148 CC(=O)NCCOc1cccc(c1)C 7a_100000210337_100000189650 [0,1,0,0,0,1|2,0,0]=4 6358 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 11a_100000740232_100015343762 [0,1,0,0,0,1|2,0,0]=4 6359 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 1626a_100000740232_100015343762 [0,1,0,0,0,1|2,0,0]=4 6360 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 240690a_100000740232_100015343762 [0,1,0,0,0,1|2,0,0]=4 6361 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 527a_100000740232_100103153847 [0,1,0,0,0,1|2,0,0]=4 6362 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 7a_100000210295_100000189650 [0,1,0,0,0,1|2,0,0]=4 6363 B14R1.148 CC(=O)NCCOc1cccc(c1)F 11a_100000738948_100015343762 [0,1,0,0,0,1|2,0,0]=4 6364 B14R1.148 CC(=O)NCCOc1cccc(c1)F 1626a_100000738948_100015343762 [0,1,0,0,0,1|2,0,0]=4 6365 B14R1.148 CC(=O)NCCOc1cccc(c1)F 240690a_100000738948_100015343762 [0,1,0,0,0,1|2,0,0]=4 6366 B14R1.148 CC(=O)NCCOc1cccc(c1)F 527a_100000738948_100103153847 [0,1,0,0,0,1|2,0,0]=4 6367 B14R1.148 CC(=O)NCCOc1cccc(c1)F 7a_100000210426_100000189650 [0,1,0,0,0,1|2,0,0]=4 6368 B14R1.148 CC(=O)NCCOc1cccc(c1)I 7a_100000211634_100000189650 [0,1,0,0,0,1|2,0,0]=4 6369 B14R1.148 CC(=O)NCCSc1cccc(c1)Br 62a_100000189650_100000691529 [0,1,0,0,0,1|2,0,0]=4 6370 B14R1.148 CC(=O)NCCSc1cccc(c1)Br 62a_100000691529_100000189650 [0,1,0,0,0,1|2,0,0]=4 6371 B14R1.148 CC(=O)NCCSc1cccc(c1)C 62a_100000189650_100011215228 [0,1,0,0,0,1|2,0,0]=4 6372 B14R1.148 CC(=O)NCCSc1cccc(c1)C 62a_100011215228_100000189650 [0,1,0,0,0,1|2,0,0]=4 6373 B14R1.148 CC(=O)NCCSc1cccc(c1)Cl 62a_100000189650_100000699651 [0,1,0,0,0,1|2,0,0]=4 6374 B14R1.148 CC(=O)NCCSc1cccc(c1)Cl 62a_100000699651_100000189650 [0,1,0,0,0,1|2,0,0]=4 6375 B14R1.148 CC(=O)NCCSc1cccc(c1)F 62a_100000189650_100000685547 [0,1,0,0,0,1|2,0,0]=4 6376 B14R1.148 CC(=O)NCCSc1cccc(c1)F 62a_100000685547_100000189650 [0,1,0,0,0,1|2,0,0]=4 6377 B14R1.148 CC(=O)NCCSc1cccc(c1)N 62a_100000189650_100000210019 [0,1,0,0,0,1|2,0,0]=4 6378 B14R1.148 CC(=O)NCCSc1cccc(c1)N 62a_100000210019_100000189650 [0,1,0,0,0,1|2,0,0]=4 6379 B14R1.148 CC(=O)NCCSc1cccc(c1)O 62a_100000189650_100000211634 [0,1,0,0,0,1|2,0,0]=4 6380 B14R1.148 CC(=O)NCCSc1cccc(c1)[S] 62a_100000189650_114929384022 [0,1,0,0,0,1|2,0,0]=4 6381 B14R1.148 CC(=O)NCCSc1cccc(c1)[S] 62a_114929384022_100000189650 [0,1,0,0,0,1|2,0,0]=4 6382 B14R1.148 CC(=O)OCCNc1cccc(c1)Br 34a_100000210019_100009814007 [0,1,0,0,0,1|2,0,0]=4 6383 B14R1.148 CC(=O)OCCNc1cccc(c1)C 34a_100000188690_100009814007 [0,1,0,0,0,1|2,0,0]=4 6384 B14R1.148 CC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_100009814007 [0,1,0,0,0,1|2,0,0]=4 6385 B14R1.148 CC(=O)OCCNc1cccc(c1)F 34a_100000210047_100009814007 [0,1,0,0,0,1|2,0,0]=4 6386 B14R1.148 CC(=O)OCCNc1cccc(c1)I 34a_100000211102_100009814007 [0,1,0,0,0,1|2,0,0]=4 6387 B14R1.148 CC(=O)OCCNc1cccc(c1)O 34a_100000210217_100009814007 [0,1,0,0,0,1|2,0,0]=4 6388 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 34a_100000210342_100009814007 [0,1,0,0,0,1|2,0,0]=4 6389 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 7a_100000210342_100009814007 [0,1,0,0,0,1|2,0,0]=4 6390 B14R1.148 CC(=O)OCCOc1cccc(c1)C 34a_100000210337_100009814007 [0,1,0,0,0,1|2,0,0]=4 6391 B14R1.148 CC(=O)OCCOc1cccc(c1)C 7a_100000210337_100009814007 [0,1,0,0,0,1|2,0,0]=4 6392 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_100009814007 [0,1,0,0,0,1|2,0,0]=4 6393 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_100009814007 [0,1,0,0,0,1|2,0,0]=4 6394 B14R1.148 CC(=O)OCCOc1cccc(c1)F 34a_100000210426_100009814007 [0,1,0,0,0,1|2,0,0]=4 6395 B14R1.148 CC(=O)OCCOc1cccc(c1)F 7a_100000210426_100009814007 [0,1,0,0,0,1|2,0,0]=4 6396 B14R1.148 CC(=O)OCCOc1cccc(c1)I 34a_100000211634_100009814007 [0,1,0,0,0,1|2,0,0]=4 6397 B14R1.148 CC(=O)OCCOc1cccc(c1)I 7a_100000211634_100009814007 [0,1,0,0,0,1|2,0,0]=4 6398 B14R1.148 CC(=O)OCCOc1cccc(c1)N 34a_100000210217_100009814007 [0,1,0,0,0,1|2,0,0]=4 6399 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100000691529_100009814007 [0,1,0,0,0,1|2,0,0]=4 6400 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100009814007_100000691529 [0,1,0,0,0,1|2,0,0]=4 6401 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100009814007_100011215228 [0,1,0,0,0,1|2,0,0]=4 6402 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100011215228_100009814007 [0,1,0,0,0,1|2,0,0]=4 6403 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_100009814007 [0,1,0,0,0,1|2,0,0]=4 6404 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100009814007_100000699651 [0,1,0,0,0,1|2,0,0]=4 6405 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100000685547_100009814007 [0,1,0,0,0,1|2,0,0]=4 6406 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100009814007_100000685547 [0,1,0,0,0,1|2,0,0]=4 6407 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100000210019_100009814007 [0,1,0,0,0,1|2,0,0]=4 6408 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100009814007_100000210019 [0,1,0,0,0,1|2,0,0]=4 6409 B14R1.148 CC(=O)OCCSc1cccc(c1)O 62a_100009814007_100000211634 [0,1,0,0,0,1|2,0,0]=4 6410 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_100009814007_114929384022 [0,1,0,0,0,1|2,0,0]=4 6411 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_100009814007 [0,1,0,0,0,1|2,0,0]=4 6412 B14R1.148 CC(=O)OCNCc1cccc(c1)Br 34a_100000174977_100009813279 [0,1,0,0,0,1|2,0,0]=4 6413 B14R1.148 CC(=O)OCNCc1cccc(c1)C 34a_100000185548_100009813279 [0,1,0,0,0,1|2,0,0]=4 6414 B14R1.148 CC(=O)OCNCc1cccc(c1)Cl 34a_100000174878_100009813279 [0,1,0,0,0,1|2,0,0]=4 6415 B14R1.148 CC(=O)OCNCc1cccc(c1)F 34a_100000174948_100009813279 [0,1,0,0,0,1|2,0,0]=4 6416 B14R1.148 CC(=O)OCNCc1cccc(c1)I 34a_100000106179_100009813279 [0,1,0,0,0,1|2,0,0]=4 6417 B14R1.148 CC(=O)OCNCc1cccc(c1)O 34a_100000743036_100009813279 [0,1,0,0,0,1|2,0,0]=4 6418 B14R1.148 CC(=O)OCOCc1cccc(c1)Br 34a_100000687537_100009813279 [0,1,0,0,0,1|2,0,0]=4 6419 B14R1.148 CC(=O)OCOCc1cccc(c1)C 34a_100011217746_100009813279 [0,1,0,0,0,1|2,0,0]=4 6420 B14R1.148 CC(=O)OCOCc1cccc(c1)Cl 34a_100000241301_100009813279 [0,1,0,0,0,1|2,0,0]=4 6421 B14R1.148 CC(=O)OCOCc1cccc(c1)F 34a_100000210976_100009813279 [0,1,0,0,0,1|2,0,0]=4 6422 B14R1.148 CC(=O)OCOCc1cccc(c1)I 34a_100011215336_100009813279 [0,1,0,0,0,1|2,0,0]=4 6423 B14R1.148 CC(=O)OCOCc1cccc(c1)N 34a_100000211919_100009813279 [0,1,0,0,0,1|2,0,0]=4 6424 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000076356_100000211773 [0,1,0,0,0,1|2,0,0]=4 6425 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000076356 [0,1,0,0,0,1|2,0,0]=4 6426 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000076356_100000211840 [0,1,0,0,0,1|2,0,0]=4 6427 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000076356 [0,1,0,0,0,1|2,0,0]=4 6428 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000076356_100000187163 [0,1,0,0,0,1|2,0,0]=4 6429 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000076356 [0,1,0,0,0,1|2,0,0]=4 6430 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000076356_100000230114 [0,1,0,0,0,1|2,0,0]=4 6431 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000076356 [0,1,0,0,0,1|2,0,0]=4 6432 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100000076356_100011218688 [0,1,0,0,0,1|2,0,0]=4 6433 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000076356 [0,1,0,0,0,1|2,0,0]=4 6434 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100000076356_100011660834 [0,1,0,0,0,1|2,0,0]=4 6435 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000076356 [0,1,0,0,0,1|2,0,0]=4 6436 B14R1.148 CC(O)CCCNc1cccc(c1)Br 34a_100000210019_200000718107 [0,1,0,0,0,1|1,0,1]=4 6437 B14R1.148 CC(O)CCCNc1cccc(c1)Cl 34a_100000185859_200000718107 [0,1,0,0,0,1|1,0,1]=4 6438 B14R1.148 CC(O)CCCNc1cccc(c1)F 34a_100000210047_200000718107 [0,1,0,0,0,1|1,0,1]=4 6439 B14R1.148 CC(O)CCCNc1cccc(c1)I 34a_100000211102_200000718107 [0,1,0,0,0,1|1,0,1]=4 6440 B14R1.148 CC(O)CCCNc1cccc(c1)O 34a_100000210217_200000718107 [0,1,0,0,0,1|1,0,1]=4 6441 B14R1.148 CC(O)CCCOc1cccc(c1)Br 34a_100000210342_200000718107 [0,1,0,0,0,1|1,0,1]=4 6442 B14R1.148 CC(O)CCCOc1cccc(c1)Br 7a_100000210342_200000718107 [0,1,0,0,0,1|1,0,1]=4 6443 B14R1.148 CC(O)CCCOc1cccc(c1)Cl 34a_100000210295_200000718107 [0,1,0,0,0,1|1,0,1]=4 6444 B14R1.148 CC(O)CCCOc1cccc(c1)Cl 7a_100000210295_200000718107 [0,1,0,0,0,1|1,0,1]=4 6445 B14R1.148 CC(O)CCCOc1cccc(c1)F 34a_100000210426_200000718107 [0,1,0,0,0,1|1,0,1]=4 6446 B14R1.148 CC(O)CCCOc1cccc(c1)F 7a_100000210426_200000718107 [0,1,0,0,0,1|1,0,1]=4 6447 B14R1.148 CC(O)CCCOc1cccc(c1)I 34a_100000211634_200000718107 [0,1,0,0,0,1|1,0,1]=4 6448 B14R1.148 CC(O)CCCOc1cccc(c1)I 7a_100000211634_200000718107 [0,1,0,0,0,1|1,0,1]=4 6449 B14R1.148 CC(O)CCCOc1cccc(c1)N 34a_100000210217_200000718107 [0,1,0,0,0,1|1,0,1]=4 6450 B14R1.148 CC(O)CCCSc1cccc(c1)Br 62a_100000691529_200000718107 [0,1,0,0,0,1|1,0,1]=4 6451 B14R1.148 CC(O)CCCSc1cccc(c1)Br 62a_200000718107_100000691529 [0,1,0,0,0,1|1,0,1]=4 6452 B14R1.148 CC(O)CCCSc1cccc(c1)Cl 62a_100000699651_200000718107 [0,1,0,0,0,1|1,0,1]=4 6453 B14R1.148 CC(O)CCCSc1cccc(c1)Cl 62a_200000718107_100000699651 [0,1,0,0,0,1|1,0,1]=4 6454 B14R1.148 CC(O)CCCSc1cccc(c1)F 62a_100000685547_200000718107 [0,1,0,0,0,1|1,0,1]=4 6455 B14R1.148 CC(O)CCCSc1cccc(c1)F 62a_200000718107_100000685547 [0,1,0,0,0,1|1,0,1]=4 6456 B14R1.148 CC(O)CCCSc1cccc(c1)N 62a_100000210019_200000718107 [0,1,0,0,0,1|1,0,1]=4 6457 B14R1.148 CC(O)CCCSc1cccc(c1)N 62a_200000718107_100000210019 [0,1,0,0,0,1|1,0,1]=4 6458 B14R1.148 CC(O)CCCSc1cccc(c1)O 62a_200000718107_100000211634 [0,1,0,0,0,1|1,0,1]=4 6459 B14R1.148 CC(O)CCCSc1cccc(c1)[S] 62a_114929384022_200000718107 [0,1,0,0,0,1|1,0,1]=4 6460 B14R1.148 CC(O)CCCSc1cccc(c1)[S] 62a_200000718107_114929384022 [0,1,0,0,0,1|1,0,1]=4 6461 B14R1.148 CC(O)CCNCc1cccc(c1)Br 207a_200000755665_100000210085 [0,1,0,0,0,1|1,0,1]=4 6462 B14R1.148 CC(O)CCNCc1cccc(c1)Br 2230a_100000174977_100012276601 [0,1,0,0,0,1|1,0,1]=4 6463 B14R1.148 CC(O)CCNCc1cccc(c1)Br 2230a_200000755665_100000698116 [0,1,0,0,0,1|1,0,1]=4 6464 B14R1.148 CC(O)CCNCc1cccc(c1)Br 270004a_200000755665_100000210085 [0,1,0,0,0,1|1,0,1]=4 6465 B14R1.148 CC(O)CCNCc1cccc(c1)Br 34a_100000174977_100012276601 [0,1,0,0,0,1|1,0,1]=4 6466 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 207a_200000755665_100000210801 [0,1,0,0,0,1|1,0,1]=4 6467 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 2230a_100000174878_100012276601 [0,1,0,0,0,1|1,0,1]=4 6468 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 2230a_200000755665_100000181238 [0,1,0,0,0,1|1,0,1]=4 6469 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 270004a_200000755665_100000210801 [0,1,0,0,0,1|1,0,1]=4 6470 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 34a_100000174878_100012276601 [0,1,0,0,0,1|1,0,1]=4 6471 B14R1.148 CC(O)CCNCc1cccc(c1)F 207a_200000755665_100000210812 [0,1,0,0,0,1|1,0,1]=4 6472 B14R1.148 CC(O)CCNCc1cccc(c1)F 2230a_100000174948_100012276601 [0,1,0,0,0,1|1,0,1]=4 6473 B14R1.148 CC(O)CCNCc1cccc(c1)F 2230a_200000755665_100000230114 [0,1,0,0,0,1|1,0,1]=4 6474 B14R1.148 CC(O)CCNCc1cccc(c1)F 270004a_200000755665_100000210812 [0,1,0,0,0,1|1,0,1]=4 6475 B14R1.148 CC(O)CCNCc1cccc(c1)F 34a_100000174948_100012276601 [0,1,0,0,0,1|1,0,1]=4 6476 B14R1.148 CC(O)CCNCc1cccc(c1)I 207a_200000755665_100000014684 [0,1,0,0,0,1|1,0,1]=4 6477 B14R1.148 CC(O)CCNCc1cccc(c1)I 2230a_100000106179_100012276601 [0,1,0,0,0,1|1,0,1]=4 6478 B14R1.148 CC(O)CCNCc1cccc(c1)I 2230a_200000755665_100011218688 [0,1,0,0,0,1|1,0,1]=4 6479 B14R1.148 CC(O)CCNCc1cccc(c1)I 270004a_200000755665_100000014684 [0,1,0,0,0,1|1,0,1]=4 6480 B14R1.148 CC(O)CCNCc1cccc(c1)I 34a_100000106179_100012276601 [0,1,0,0,0,1|1,0,1]=4 6481 B14R1.148 CC(O)CCNCc1cccc(c1)O 207a_200000755665_100000188321 [0,1,0,0,0,1|1,0,1]=4 6482 B14R1.148 CC(O)CCNCc1cccc(c1)O 2230a_100000743036_100012276601 [0,1,0,0,0,1|1,0,1]=4 6483 B14R1.148 CC(O)CCNCc1cccc(c1)O 2230a_200000755665_100011660834 [0,1,0,0,0,1|1,0,1]=4 6484 B14R1.148 CC(O)CCNCc1cccc(c1)O 270004a_200000755665_100000188321 [0,1,0,0,0,1|1,0,1]=4 6485 B14R1.148 CC(O)CCNCc1cccc(c1)O 34a_100000743036_100012276601 [0,1,0,0,0,1|1,0,1]=4 6486 B14R1.148 CC(O)CCOCc1cccc(c1)Br 34a_100000687537_100012276601 [0,1,0,0,0,1|1,0,1]=4 6487 B14R1.148 CC(O)CCOCc1cccc(c1)Br 7a_100000687537_100012276601 [0,1,0,0,0,1|1,0,1]=4 6488 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 34a_100000241301_100012276601 [0,1,0,0,0,1|1,0,1]=4 6489 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 7a_100000241301_100012276601 [0,1,0,0,0,1|1,0,1]=4 6490 B14R1.148 CC(O)CCOCc1cccc(c1)F 34a_100000210976_100012276601 [0,1,0,0,0,1|1,0,1]=4 6491 B14R1.148 CC(O)CCOCc1cccc(c1)F 7a_100000210976_100012276601 [0,1,0,0,0,1|1,0,1]=4 6492 B14R1.148 CC(O)CCOCc1cccc(c1)I 34a_100011215336_100012276601 [0,1,0,0,0,1|1,0,1]=4 6493 B14R1.148 CC(O)CCOCc1cccc(c1)I 7a_100011215336_100012276601 [0,1,0,0,0,1|1,0,1]=4 6494 B14R1.148 CC(O)CCOCc1cccc(c1)N 34a_100000211919_100012276601 [0,1,0,0,0,1|1,0,1]=4 6495 B14R1.148 CC(O)CCSCc1cccc(c1)Br 62a_100000211773_100012276601 [0,1,0,0,0,1|1,0,1]=4 6496 B14R1.148 CC(O)CCSCc1cccc(c1)Br 62a_100012276601_100000211773 [0,1,0,0,0,1|1,0,1]=4 6497 B14R1.148 CC(O)CCSCc1cccc(c1)Cl 62a_100000187163_100012276601 [0,1,0,0,0,1|1,0,1]=4 6498 B14R1.148 CC(O)CCSCc1cccc(c1)Cl 62a_100012276601_100000187163 [0,1,0,0,0,1|1,0,1]=4 6499 B14R1.148 CC(O)CCSCc1cccc(c1)F 62a_100000230114_100012276601 [0,1,0,0,0,1|1,0,1]=4 6500 B14R1.148 CC(O)CCSCc1cccc(c1)F 62a_100012276601_100000230114 [0,1,0,0,0,1|1,0,1]=4 6501 B14R1.148 CC(O)CCSCc1cccc(c1)I 62a_100011218688_100012276601 [0,1,0,0,0,1|1,0,1]=4 6502 B14R1.148 CC(O)CCSCc1cccc(c1)I 62a_100012276601_100011218688 [0,1,0,0,0,1|1,0,1]=4 6503 B14R1.148 CC(O)CCSCc1cccc(c1)O 62a_100011660834_100012276601 [0,1,0,0,0,1|1,0,1]=4 6504 B14R1.148 CC(O)CCSCc1cccc(c1)O 62a_100012276601_100011660834 [0,1,0,0,0,1|1,0,1]=4 6505 B14R1.148 CC(O)CNCCc1cccc(c1)Br 2230a_100000210904_100011740638 [0,1,0,0,0,1|1,0,1]=4 6506 B14R1.148 CC(O)CNCCc1cccc(c1)Br 2230a_100011207229_100011218427 [0,1,0,0,0,1|1,0,1]=4 6507 B14R1.148 CC(O)CNCCc1cccc(c1)Br 34a_100000210904_100011740638 [0,1,0,0,0,1|1,0,1]=4 6508 B14R1.148 CC(O)CNCCc1cccc(c1)Br 34a_100011207229_100011218427 [0,1,0,0,0,1|1,0,1]=4 6509 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 2230a_100000185263_100011218427 [0,1,0,0,0,1|1,0,1]=4 6510 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 2230a_100000210904_100011713710 [0,1,0,0,0,1|1,0,1]=4 6511 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 34a_100000185263_100011218427 [0,1,0,0,0,1|1,0,1]=4 6512 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 34a_100000210904_100011713710 [0,1,0,0,0,1|1,0,1]=4 6513 B14R1.148 CC(O)CNCCc1cccc(c1)F 2230a_100000205154_100011218427 [0,1,0,0,0,1|1,0,1]=4 6514 B14R1.148 CC(O)CNCCc1cccc(c1)F 2230a_100000210904_100011217235 [0,1,0,0,0,1|1,0,1]=4 6515 B14R1.148 CC(O)CNCCc1cccc(c1)F 34a_100000205154_100011218427 [0,1,0,0,0,1|1,0,1]=4 6516 B14R1.148 CC(O)CNCCc1cccc(c1)F 34a_100000210904_100011217235 [0,1,0,0,0,1|1,0,1]=4 6517 B14R1.148 CC(O)CNCCc1cccc(c1)O 2230a_100000747277_100011218427 [0,1,0,0,0,1|1,0,1]=4 6518 B14R1.148 CC(O)CNCCc1cccc(c1)O 34a_100000747277_100011218427 [0,1,0,0,0,1|1,0,1]=4 6519 B14R1.148 CC(O)COCCc1cccc(c1)Br 34a_100011217444_100011218427 [0,1,0,0,0,1|1,0,1]=4 6520 B14R1.148 CC(O)COCCc1cccc(c1)Br 7a_100011217444_100011218427 [0,1,0,0,0,1|1,0,1]=4 6521 B14R1.148 CC(O)COCCc1cccc(c1)Cl 34a_100000754733_100011218427 [0,1,0,0,0,1|1,0,1]=4 6522 B14R1.148 CC(O)COCCc1cccc(c1)Cl 7a_100000754733_100011218427 [0,1,0,0,0,1|1,0,1]=4 6523 B14R1.148 CC(O)COCCc1cccc(c1)F 34a_100000763591_100011218427 [0,1,0,0,0,1|1,0,1]=4 6524 B14R1.148 CC(O)COCCc1cccc(c1)F 7a_100000763591_100011218427 [0,1,0,0,0,1|1,0,1]=4 6525 B14R1.148 CC(O)COCCc1cccc(c1)N 34a_100011996697_100011218427 [0,1,0,0,0,1|1,0,1]=4 6526 B14R1.148 CC(O)CSCCc1cccc(c1)Br 62a_100011218427_100011740638 [0,1,0,0,0,1|1,0,1]=4 6527 B14R1.148 CC(O)CSCCc1cccc(c1)Br 62a_100011740638_100011218427 [0,1,0,0,0,1|1,0,1]=4 6528 B14R1.148 CC(O)CSCCc1cccc(c1)Cl 62a_100011218427_100011713710 [0,1,0,0,0,1|1,0,1]=4 6529 B14R1.148 CC(O)CSCCc1cccc(c1)Cl 62a_100011713710_100011218427 [0,1,0,0,0,1|1,0,1]=4 6530 B14R1.148 CC(O)CSCCc1cccc(c1)F 62a_100011217235_100011218427 [0,1,0,0,0,1|1,0,1]=4 6531 B14R1.148 CC(O)CSCCc1cccc(c1)F 62a_100011218427_100011217235 [0,1,0,0,0,1|1,0,1]=4 6532 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Br 2230a_100011207229_100009817552 [0,1,0,0,0,1|1,0,1]=4 6533 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Br 34a_100011207229_100009817552 [0,1,0,0,0,1|1,0,1]=4 6534 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Cl 2230a_100000185263_100009817552 [0,1,0,0,0,1|1,0,1]=4 6535 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Cl 34a_100000185263_100009817552 [0,1,0,0,0,1|1,0,1]=4 6536 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)F 2230a_100000205154_100009817552 [0,1,0,0,0,1|1,0,1]=4 6537 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)F 34a_100000205154_100009817552 [0,1,0,0,0,1|1,0,1]=4 6538 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)O 2230a_100000747277_100009817552 [0,1,0,0,0,1|1,0,1]=4 6539 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)O 34a_100000747277_100009817552 [0,1,0,0,0,1|1,0,1]=4 6540 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Br 34a_100011217444_100009817552 [0,1,0,0,0,1|1,0,1]=4 6541 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Br 7a_100011217444_100009817552 [0,1,0,0,0,1|1,0,1]=4 6542 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Cl 34a_100000754733_100009817552 [0,1,0,0,0,1|1,0,1]=4 6543 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Cl 7a_100000754733_100009817552 [0,1,0,0,0,1|1,0,1]=4 6544 B14R1.148 C[C@@H](O)COCCc1cccc(c1)F 34a_100000763591_100009817552 [0,1,0,0,0,1|1,0,1]=4 6545 B14R1.148 C[C@@H](O)COCCc1cccc(c1)F 7a_100000763591_100009817552 [0,1,0,0,0,1|1,0,1]=4 6546 B14R1.148 C[C@@H](O)COCCc1cccc(c1)N 34a_100011996697_100009817552 [0,1,0,0,0,1|1,0,1]=4 6547 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Br 62a_100009817552_100011740638 [0,1,0,0,0,1|1,0,1]=4 6548 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Br 62a_100011740638_100009817552 [0,1,0,0,0,1|1,0,1]=4 6549 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Cl 62a_100009817552_100011713710 [0,1,0,0,0,1|1,0,1]=4 6550 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Cl 62a_100011713710_100009817552 [0,1,0,0,0,1|1,0,1]=4 6551 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)F 62a_100009817552_100011217235 [0,1,0,0,0,1|1,0,1]=4 6552 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)F 62a_100011217235_100009817552 [0,1,0,0,0,1|1,0,1]=4 6553 B14R1.148 C[n+]1cccc(c1)SCCCC(=O)N 62a_100009996589_100102525003 [0,1,0,0,0,1|2,0,0]=4 6554 B14R1.148 C[n+]1cccc(c1)SCCCC(=O)N 62a_100102525003_100009996589 [0,1,0,0,0,1|2,0,0]=4 6555 B14R1.148 Cc1cc(ccn1)CNCCC(=O)N 207a_100000740010_100011361630 [0,1,0,0,0,1|2,0,0]=4 6556 B14R1.148 Cc1cc(ccn1)CNCCC(=O)N 34a_100011934566_100000731001 [0,1,0,0,0,1|2,0,0]=4 6557 B14R1.148 Cc1cc(ccn1)CNOCC(=O)O 269956a_100000106656_200020672517 [0,1,0,0,0,1|2,0,0]=4 6558 B14R1.148 Cc1cc(ccn1)COCCC(=O)N 34a_100000757172_200020672517 [0,1,0,0,0,1|2,0,0]=4 6559 B14R1.148 Cc1cc(ccn1)COCCC(=O)N 34a_100011998630_100000731001 [0,1,0,0,0,1|2,0,0]=4 6560 B14R1.148 Cc1cc(ccn1)COCCC(=O)N 7a_100000757172_200020672517 [0,1,0,0,0,1|2,0,0]=4 6561 B14R1.148 Cc1cc(ccn1)CSCCC(=O)N 62a_100000744528_200020672517 [0,1,0,0,0,1|2,0,0]=4 6562 B14R1.148 Cc1cc(ccn1)CSCCC(=O)N 62a_200020672517_100000744528 [0,1,0,0,0,1|2,0,0]=4 6563 B14R1.148 Cc1cc(ccn1)NCCCC(=O)N 27a_100000739312_100000758586 [0,1,0,0,0,1|2,0,0]=4 6564 B14R1.148 Cc1cc(ccn1)OCCCC(=O)N 34a_100000688365_100102525003 [0,1,0,0,0,1|2,0,0]=4 6565 B14R1.148 Cc1cc(ccn1)SCCCC(=O)N 62a_100000758586_100102525003 [0,1,0,0,0,1|2,0,0]=4 6566 B14R1.148 Cc1cc(ccn1)SCCCC(=O)N 62a_100102525003_100000758586 [0,1,0,0,0,1|2,0,0]=4 6567 B14R1.148 Cc1cccc(c1)CCNCC(=O)N 2230a_100000711301_100011713685 [0,1,0,0,0,1|1,0,0]=3 6568 B14R1.148 Cc1cccc(c1)CCNCC(=O)N 2230a_100000749837_100000747473 [0,1,0,0,0,1|1,0,0]=3 6569 B14R1.148 Cc1cccc(c1)CCNCC(=O)N 34a_100000749837_100000187820 [0,1,0,0,0,1|1,0,0]=3 6570 B14R1.148 Cc1cccc(c1)CCNCC(=O)O 269956a_100016091260_100011713685 [0,1,0,0,0,1|0,0,0]=2 6571 B14R1.148 Cc1cccc(c1)CCNCC(=O)[O-] 34a_100000749837_100020667443 [0,1,0,0,0,1|0,0,1]=3 6572 B14R1.148 Cc1cccc(c1)CCNCC(C)O 2230a_100000210904_100011713685 [0,1,0,0,0,1|1,0,1]=4 6573 B14R1.148 Cc1cccc(c1)CCNCC(C)O 2230a_100000749837_100011218427 [0,1,0,0,0,1|1,0,1]=4 6574 B14R1.148 Cc1cccc(c1)CCNCC(C)O 34a_100000210904_100011713685 [0,1,0,0,0,1|1,0,1]=4 6575 B14R1.148 Cc1cccc(c1)CCNCC(C)O 34a_100000749837_100011218427 [0,1,0,0,0,1|1,0,1]=4 6576 B14R1.148 Cc1cccc(c1)CCNC[C@@H](C)O 2230a_100000749837_100009817552 [0,1,0,0,0,1|1,0,1]=4 6577 B14R1.148 Cc1cccc(c1)CCNC[C@@H](C)O 34a_100000749837_100009817552 [0,1,0,0,0,1|1,0,1]=4 6578 B14R1.148 Cc1cccc(c1)CCNC[N+](=O)[O-] 34a_100000749837_100000761209 [0,1,0,0,0,1|1,0,1]=4 6579 B14R1.148 Cc1cccc(c1)CCOCC(=O)N 34a_100011217157_100000187820 [0,1,0,0,0,1|1,0,0]=3 6580 B14R1.148 Cc1cccc(c1)CCOCC(=O)N 7a_100011217157_100000187820 [0,1,0,0,0,1|1,0,0]=3 6581 B14R1.148 Cc1cccc(c1)CCOCC(=O)[O-] 34a_100011217157_100020667443 [0,1,0,0,0,1|0,0,1]=3 6582 B14R1.148 Cc1cccc(c1)CCOCC(C)O 34a_100011217157_100011218427 [0,1,0,0,0,1|1,0,1]=4 6583 B14R1.148 Cc1cccc(c1)CCOCC(C)O 7a_100011217157_100011218427 [0,1,0,0,0,1|1,0,1]=4 6584 B14R1.148 Cc1cccc(c1)CCOC[C@@H](C)O 34a_100011217157_100009817552 [0,1,0,0,0,1|1,0,1]=4 6585 B14R1.148 Cc1cccc(c1)CCOC[C@@H](C)O 7a_100011217157_100009817552 [0,1,0,0,0,1|1,0,1]=4 6586 B14R1.148 Cc1cccc(c1)CCOC[N+](=O)[O-] 34a_100011217157_100000761209 [0,1,0,0,0,1|1,0,1]=4 6587 B14R1.148 Cc1cccc(c1)CCSCC(=O)N 62a_100000747473_100011713685 [0,1,0,0,0,1|1,0,0]=3 6588 B14R1.148 Cc1cccc(c1)CCSCC(=O)N 62a_100011713685_100000747473 [0,1,0,0,0,1|1,0,0]=3 6589 B14R1.148 Cc1cccc(c1)CCSCC(=O)[O-] 62a_100011713685_100020667443 [0,1,0,0,0,1|0,0,1]=3 6590 B14R1.148 Cc1cccc(c1)CCSCC(=O)[O-] 62a_100020667443_100011713685 [0,1,0,0,0,1|0,0,1]=3 6591 B14R1.148 Cc1cccc(c1)CCSCC(C)O 62a_100011218427_100011713685 [0,1,0,0,0,1|1,0,1]=4 6592 B14R1.148 Cc1cccc(c1)CCSCC(C)O 62a_100011713685_100011218427 [0,1,0,0,0,1|1,0,1]=4 6593 B14R1.148 Cc1cccc(c1)CCSC[C@@H](C)O 62a_100009817552_100011713685 [0,1,0,0,0,1|1,0,1]=4 6594 B14R1.148 Cc1cccc(c1)CCSC[C@@H](C)O 62a_100011713685_100009817552 [0,1,0,0,0,1|1,0,1]=4 6595 B14R1.148 Cc1cccc(c1)CCSC[N+](=O)[O-] 62a_100011713685_100000761209 [0,1,0,0,0,1|1,0,1]=4 6596 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 207a_100000740010_100000211157 [0,1,0,0,0,1|1,0,0]=3 6597 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 2230a_100000185548_100000744528 [0,1,0,0,0,1|1,0,0]=3 6598 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 34a_100000185548_100000731001 [0,1,0,0,0,1|1,0,0]=3 6599 B14R1.148 Cc1cccc(c1)CNCCC(C)O 207a_200000755665_100000211157 [0,1,0,0,0,1|1,0,1]=4 6600 B14R1.148 Cc1cccc(c1)CNCCC(C)O 2230a_100000185548_100012276601 [0,1,0,0,0,1|1,0,1]=4 6601 B14R1.148 Cc1cccc(c1)CNCCC(C)O 2230a_200000755665_100000211840 [0,1,0,0,0,1|1,0,1]=4 6602 B14R1.148 Cc1cccc(c1)CNCCC(C)O 270004a_200000755665_100000211157 [0,1,0,0,0,1|1,0,1]=4 6603 B14R1.148 Cc1cccc(c1)CNCCC(C)O 34a_100000185548_100012276601 [0,1,0,0,0,1|1,0,1]=4 6604 B14R1.148 Cc1cccc(c1)CNOCC(=O)O 269956a_100000106656_100000005736 [0,1,0,0,0,1|1,0,0]=3 6605 B14R1.148 Cc1cccc(c1)COCCC(=O)N 34a_100000757172_100000211840 [0,1,0,0,0,1|1,0,0]=3 6606 B14R1.148 Cc1cccc(c1)COCCC(=O)N 34a_100011217746_100000731001 [0,1,0,0,0,1|1,0,0]=3 6607 B14R1.148 Cc1cccc(c1)COCCC(=O)N 7a_100000757172_100000211840 [0,1,0,0,0,1|1,0,0]=3 6608 B14R1.148 Cc1cccc(c1)COCCC(=O)N 7a_100011217746_100000744528 [0,1,0,0,0,1|1,0,0]=3 6609 B14R1.148 Cc1cccc(c1)COCCC(C)O 34a_100011217746_100012276601 [0,1,0,0,0,1|1,0,1]=4 6610 B14R1.148 Cc1cccc(c1)COCCC(C)O 7a_100011217746_100012276601 [0,1,0,0,0,1|1,0,1]=4 6611 B14R1.148 Cc1cccc(c1)CSCCC(=O)N 62a_100000211840_100000744528 [0,1,0,0,0,1|1,0,0]=3 6612 B14R1.148 Cc1cccc(c1)CSCCC(=O)N 62a_100000744528_100000211840 [0,1,0,0,0,1|1,0,0]=3 6613 B14R1.148 Cc1cccc(c1)CSCCC(C)O 62a_100000211840_100012276601 [0,1,0,0,0,1|1,0,1]=4 6614 B14R1.148 Cc1cccc(c1)CSCCC(C)O 62a_100012276601_100000211840 [0,1,0,0,0,1|1,0,1]=4 6615 B14R1.148 Cc1cccc(c1)NCCCC(=O)N 34a_100000188690_100102525003 [0,1,0,0,0,1|1,0,0]=3 6616 B14R1.148 Cc1cccc(c1)NCCCC(C)O 2230a_100000188690_200000718107 [0,1,0,0,0,1|1,0,1]=4 6617 B14R1.148 Cc1cccc(c1)NCCCC(C)O 34a_100000188690_200000718107 [0,1,0,0,0,1|1,0,1]=4 6618 B14R1.148 Cc1cccc(c1)NCCNC(=O)N 2230a_100000188690_200000034859 [0,1,0,0,0,1|2,0,0]=4 6619 B14R1.148 Cc1cccc(c1)NCCOC(=O)N 34a_100000188690_200011214921 [0,1,0,0,0,1|2,0,0]=4 6620 B14R1.148 Cc1cccc(c1)OCCCC(=O)N 34a_100000210337_100102525003 [0,1,0,0,0,1|1,0,0]=3 6621 B14R1.148 Cc1cccc(c1)OCCCC(=O)N 7a_100000210337_100102525003 [0,1,0,0,0,1|1,0,0]=3 6622 B14R1.148 Cc1cccc(c1)OCCCC(=O)[13CH3] 1458a_100000183260_200025704644 [0,1,0,0,0,1|1,0,0]=3 6623 B14R1.148 Cc1cccc(c1)OCCCC(C)O 34a_100000210337_200000718107 [0,1,0,0,0,1|1,0,1]=4 6624 B14R1.148 Cc1cccc(c1)OCCCC(C)O 7a_100000210337_200000718107 [0,1,0,0,0,1|1,0,1]=4 6625 B14R1.148 Cc1cccc(c1)OCCNC(=O)N 7a_100000210337_200000034859 [0,1,0,0,0,1|2,0,0]=4 6626 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 34a_100000210337_200011214921 [0,1,0,0,0,1|2,0,0]=4 6627 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 7a_100000210337_200011214921 [0,1,0,0,0,1|2,0,0]=4 6628 B14R1.148 Cc1cccc(c1)SCCCC(=O)N 62a_100011215228_100102525003 [0,1,0,0,0,1|1,0,0]=3 6629 B14R1.148 Cc1cccc(c1)SCCCC(=O)N 62a_100102525003_100011215228 [0,1,0,0,0,1|1,0,0]=3 6630 B14R1.148 Cc1cccc(c1)SCCCC(C)O 62a_100011215228_200000718107 [0,1,0,0,0,1|1,0,1]=4 6631 B14R1.148 Cc1cccc(c1)SCCCC(C)O 62a_200000718107_100011215228 [0,1,0,0,0,1|1,0,1]=4 6632 B14R1.148 Cc1cccc(c1)SCCNC(=O)N 62a_100011215228_200000034859 [0,1,0,0,0,1|2,0,0]=4 6633 B14R1.148 Cc1cccc(c1)SCCNC(=O)N 62a_200000034859_100011215228 [0,1,0,0,0,1|2,0,0]=4 6634 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_100011215228_200011214921 [0,1,0,0,0,1|2,0,0]=4 6635 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_200011214921_100011215228 [0,1,0,0,0,1|2,0,0]=4 6636 B14R1.148 Cc1cccc(n1)CCNCC(=O)N 2230a_100011824523_100000747473 [0,1,0,0,0,1|2,0,0]=4 6637 B14R1.148 Cc1cccc(n1)CCNCC(=O)N 34a_100011824523_100000187820 [0,1,0,0,0,1|2,0,0]=4 6638 B14R1.148 Cc1cccc(n1)CCNCC(=O)[O-] 34a_100011824523_100020667443 [0,1,0,0,0,1|1,0,1]=4 6639 B14R1.148 Cc1cccc(n1)CNCCC(=O)N 207a_100000740010_100011215050 [0,1,0,0,0,1|2,0,0]=4 6640 B14R1.148 Cc1cccc(n1)CNCCC(=O)N 34a_100000701342_100000731001 [0,1,0,0,0,1|2,0,0]=4 6641 B14R1.148 Cc1cccc(n1)CNOCC(=O)O 269956a_100000106656_100000757606 [0,1,0,0,0,1|2,0,0]=4 6642 B14R1.148 Cc1cccc(n1)COCCC(=O)N 34a_100000690600_100000731001 [0,1,0,0,0,1|2,0,0]=4 6643 B14R1.148 Cc1cccc(n1)COCCC(=O)N 34a_100000757172_100000757606 [0,1,0,0,0,1|2,0,0]=4 6644 B14R1.148 Cc1cccc(n1)COCCC(=O)N 7a_100000757172_100000757606 [0,1,0,0,0,1|2,0,0]=4 6645 B14R1.148 Cc1cccc(n1)CSCCC(=O)N 62a_100000744528_100000757606 [0,1,0,0,0,1|2,0,0]=4 6646 B14R1.148 Cc1cccc(n1)CSCCC(=O)N 62a_100000757606_100000744528 [0,1,0,0,0,1|2,0,0]=4 6647 B14R1.148 Cc1cccc(n1)SCCCC(=O)N 62a_100000742759_100102525003 [0,1,0,0,0,1|2,0,0]=4 6648 B14R1.148 Cc1cccc(n1)SCCCC(=O)N 62a_100102525003_100000742759 [0,1,0,0,0,1|2,0,0]=4 6649 B14R1.148 Cc1ccnc(c1)CNCCC(=O)N 207a_100000740010_100011361488 [0,1,0,0,0,1|2,0,0]=4 6650 B14R1.148 Cc1ccnc(c1)CNOCC(=O)O 269956a_100000106656_100000718516 [0,1,0,0,0,1|2,0,0]=4 6651 B14R1.148 Cc1ccnc(c1)COCCC(=O)N 34a_100000757172_100000718516 [0,1,0,0,0,1|2,0,0]=4 6652 B14R1.148 Cc1ccnc(c1)COCCC(=O)N 34a_100011998357_100000731001 [0,1,0,0,0,1|2,0,0]=4 6653 B14R1.148 Cc1ccnc(c1)COCCC(=O)N 7a_100000757172_100000718516 [0,1,0,0,0,1|2,0,0]=4 6654 B14R1.148 Cc1ccnc(c1)CSCCC(=O)N 62a_100000718516_100000744528 [0,1,0,0,0,1|2,0,0]=4 6655 B14R1.148 Cc1ccnc(c1)CSCCC(=O)N 62a_100000744528_100000718516 [0,1,0,0,0,1|2,0,0]=4 6656 B14R1.148 Cc1ccnc(c1)SCCCC(=O)N 62a_100000750283_100102525003 [0,1,0,0,0,1|2,0,0]=4 6657 B14R1.148 Cc1ccnc(c1)SCCCC(=O)N 62a_100102525003_100000750283 [0,1,0,0,0,1|2,0,0]=4 6658 B14R1.148 Cc1cncc(c1)CNCCC(=O)N 207a_100000740010_100011998712 [0,1,0,0,0,1|2,0,0]=4 6659 B14R1.148 Cc1cncc(c1)CNCCC(=O)N 2230a_100000692839_100000744528 [0,1,0,0,0,1|2,0,0]=4 6660 B14R1.148 Cc1cncc(c1)CNCCC(=O)N 34a_100000692839_100000731001 [0,1,0,0,0,1|2,0,0]=4 6661 B14R1.148 Cc1cncc(c1)CNOCC(=O)O 269956a_100000106656_100016988603 [0,1,0,0,0,1|2,0,0]=4 6662 B14R1.148 Cc1cncc(c1)COCCC(=O)N 34a_100000757172_100000716715 [0,1,0,0,0,1|2,0,0]=4 6663 B14R1.148 Cc1cncc(c1)COCCC(=O)N 34a_100011998709_100000731001 [0,1,0,0,0,1|2,0,0]=4 6664 B14R1.148 Cc1cncc(c1)COCCC(=O)N 7a_100000757172_100000716715 [0,1,0,0,0,1|2,0,0]=4 6665 B14R1.148 Cc1cncc(c1)COCCC(=O)N 7a_100011998709_100000744528 [0,1,0,0,0,1|2,0,0]=4 6666 B14R1.148 Cc1cncc(c1)CSCCC(=O)N 62a_100000716715_100000744528 [0,1,0,0,0,1|2,0,0]=4 6667 B14R1.148 Cc1cncc(c1)CSCCC(=O)N 62a_100000744528_100000716715 [0,1,0,0,0,1|2,0,0]=4 6668 B14R1.148 Cc1cncc(c1)OCCCC(=O)N 34a_100011830280_100102525003 [0,1,0,0,0,1|2,0,0]=4 6669 B14R1.148 Cc1cncc(c1)OCCCC(=O)N 7a_100011830280_100102525003 [0,1,0,0,0,1|2,0,0]=4 6670 B14R1.148 Cc1cncc(c1)SCCCC(=O)N 62a_100000760492_100102525003 [0,1,0,0,0,1|2,0,0]=4 6671 B14R1.148 Cc1cncc(c1)SCCCC(=O)N 62a_100102525003_100000760492 [0,1,0,0,0,1|2,0,0]=4 6672 B14R1.148 NC(=O)CCCNc1cc(ccn1)F 27a_100000739312_100000764206 [0,1,0,0,0,1|2,0,0]=4 6673 B14R1.148 NC(=O)CCCNc1cc[nH]c(=O)c1 27a_100000739312_100000061649 [0,1,0,0,0,1|2,0,0]=4 6674 B14R1.148 NC(=O)CCCNc1cccc(c1)Br 34a_100000210019_100102525003 [0,1,0,0,0,1|1,0,0]=3 6675 B14R1.148 NC(=O)CCCNc1cccc(c1)Cl 34a_100000185859_100102525003 [0,1,0,0,0,1|1,0,0]=3 6676 B14R1.148 NC(=O)CCCNc1cccc(c1)F 34a_100000210047_100102525003 [0,1,0,0,0,1|1,0,0]=3 6677 B14R1.148 NC(=O)CCCNc1cccc(c1)I 34a_100000211102_100102525003 [0,1,0,0,0,1|1,0,0]=3 6678 B14R1.148 NC(=O)CCCNc1cccc(c1)O 34a_100000210217_100102525003 [0,1,0,0,0,1|1,0,0]=3 6679 B14R1.148 NC(=O)CCCNc1cccc(n1)F 27a_100000739312_100009815982 [0,1,0,0,0,1|2,0,0]=4 6680 B14R1.148 NC(=O)CCCNc1ccnc(c1)F 27a_100000739312_100009816116 [0,1,0,0,0,1|2,0,0]=4 6681 B14R1.148 NC(=O)CCCOc1cc[nH]c(=O)c1 34a_100000032262_100102525003 [0,1,0,0,0,1|2,0,0]=4 6682 B14R1.148 NC(=O)CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100102525003 [0,1,0,0,0,1|2,0,0]=4 6683 B14R1.148 NC(=O)CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100102525003 [0,1,0,0,0,1|2,0,0]=4 6684 B14R1.148 NC(=O)CCCOc1cccc(=O)[nH]1 34a_100000033347_100102525003 [0,1,0,0,0,1|2,0,0]=4 6685 B14R1.148 NC(=O)CCCOc1cccc(c1)Br 34a_100000210342_100102525003 [0,1,0,0,0,1|1,0,0]=3 6686 B14R1.148 NC(=O)CCCOc1cccc(c1)Br 7a_100000210342_100102525003 [0,1,0,0,0,1|1,0,0]=3 6687 B14R1.148 NC(=O)CCCOc1cccc(c1)Cl 34a_100000210295_100102525003 [0,1,0,0,0,1|1,0,0]=3 6688 B14R1.148 NC(=O)CCCOc1cccc(c1)Cl 7a_100000210295_100102525003 [0,1,0,0,0,1|1,0,0]=3 6689 B14R1.148 NC(=O)CCCOc1cccc(c1)F 34a_100000210426_100102525003 [0,1,0,0,0,1|1,0,0]=3 6690 B14R1.148 NC(=O)CCCOc1cccc(c1)F 7a_100000210426_100102525003 [0,1,0,0,0,1|1,0,0]=3 6691 B14R1.148 NC(=O)CCCOc1cccc(c1)I 34a_100000211634_100102525003 [0,1,0,0,0,1|1,0,0]=3 6692 B14R1.148 NC(=O)CCCOc1cccc(c1)I 7a_100000211634_100102525003 [0,1,0,0,0,1|1,0,0]=3 6693 B14R1.148 NC(=O)CCCOc1cccc(c1)N 34a_100000210217_100102525003 [0,1,0,0,0,1|1,0,0]=3 6694 B14R1.148 NC(=O)CCCOc1cccc(n1)F 34a_100011432558_100102525003 [0,1,0,0,0,1|2,0,0]=4 6695 B14R1.148 NC(=O)CCCOc1ccnc(c1)Cl 34a_100000762945_100102525003 [0,1,0,0,0,1|2,0,0]=4 6696 B14R1.148 NC(=O)CCCOc1ccnc(c1)F 34a_100000732698_100102525003 [0,1,0,0,0,1|2,0,0]=4 6697 B14R1.148 NC(=O)CCCOc1ccnc(c1)N 34a_100011834064_100102525003 [0,1,0,0,0,1|2,0,0]=4 6698 B14R1.148 NC(=O)CCCOc1cncc(c1)Br 34a_100000754920_100102525003 [0,1,0,0,0,1|2,0,0]=4 6699 B14R1.148 NC(=O)CCCOc1cncc(c1)Br 7a_100000754920_100102525003 [0,1,0,0,0,1|2,0,0]=4 6700 B14R1.148 NC(=O)CCCOc1cncc(c1)Cl 7a_100000032511_100102525003 [0,1,0,0,0,1|2,0,0]=4 6701 B14R1.148 NC(=O)CCCOc1cncc(c1)F 34a_100011830296_100102525003 [0,1,0,0,0,1|2,0,0]=4 6702 B14R1.148 NC(=O)CCCOc1cncc(c1)F 7a_100011830296_100102525003 [0,1,0,0,0,1|2,0,0]=4 6703 B14R1.148 NC(=O)CCCOc1cncc(c1)N 34a_100011997051_100102525003 [0,1,0,0,0,1|2,0,0]=4 6704 B14R1.148 NC(=O)CCCSc1cc(=O)cc[nH]1 62a_100009817434_100102525003 [0,1,0,0,0,1|2,0,0]=4 6705 B14R1.148 NC(=O)CCCSc1cc(ccn1)Cl 62a_100010167805_100102525003 [0,1,0,0,0,1|2,0,0]=4 6706 B14R1.148 NC(=O)CCCSc1cc(ccn1)Cl 62a_100102525003_100010167805 [0,1,0,0,0,1|2,0,0]=4 6707 B14R1.148 NC(=O)CCCSc1cc(ccn1)F 62a_100000764206_100102525003 [0,1,0,0,0,1|2,0,0]=4 6708 B14R1.148 NC(=O)CCCSc1cc(ccn1)F 62a_100102525003_100000764206 [0,1,0,0,0,1|2,0,0]=4 6709 B14R1.148 NC(=O)CCCSc1cc(ccn1)N 62a_100009814236_100102525003 [0,1,0,0,0,1|2,0,0]=4 6710 B14R1.148 NC(=O)CCCSc1cc(ccn1)N 62a_100102525003_100009814236 [0,1,0,0,0,1|2,0,0]=4 6711 B14R1.148 NC(=O)CCCSc1cc(ccn1)O 62a_100102525003_100000762945 [0,1,0,0,0,1|2,0,0]=4 6712 B14R1.148 NC(=O)CCCSc1cc[nH]c(=O)c1 62a_100009816521_100102525003 [0,1,0,0,0,1|2,0,0]=4 6713 B14R1.148 NC(=O)CCCSc1cc[nH]c(=O)c1 62a_100102525003_100009816521 [0,1,0,0,0,1|2,0,0]=4 6714 B14R1.148 NC(=O)CCCSc1ccc[n+](c1)[O-] 62a_100102525003_100009815978 [0,1,0,0,0,1|2,0,0]=4 6715 B14R1.148 NC(=O)CCCSc1cccc(=O)[nH]1 62a_100102525003_100000752884 [0,1,0,0,0,1|2,0,0]=4 6716 B14R1.148 NC(=O)CCCSc1cccc(c1)Br 62a_100000691529_100102525003 [0,1,0,0,0,1|1,0,0]=3 6717 B14R1.148 NC(=O)CCCSc1cccc(c1)Br 62a_100102525003_100000691529 [0,1,0,0,0,1|1,0,0]=3 6718 B14R1.148 NC(=O)CCCSc1cccc(c1)Cl 62a_100000699651_100102525003 [0,1,0,0,0,1|1,0,0]=3 6719 B14R1.148 NC(=O)CCCSc1cccc(c1)Cl 62a_100102525003_100000699651 [0,1,0,0,0,1|1,0,0]=3 6720 B14R1.148 NC(=O)CCCSc1cccc(c1)F 62a_100000685547_100102525003 [0,1,0,0,0,1|1,0,0]=3 6721 B14R1.148 NC(=O)CCCSc1cccc(c1)F 62a_100102525003_100000685547 [0,1,0,0,0,1|1,0,0]=3 6722 B14R1.148 NC(=O)CCCSc1cccc(c1)N 62a_100000210019_100102525003 [0,1,0,0,0,1|1,0,0]=3 6723 B14R1.148 NC(=O)CCCSc1cccc(c1)N 62a_100102525003_100000210019 [0,1,0,0,0,1|1,0,0]=3 6724 B14R1.148 NC(=O)CCCSc1cccc(c1)O 62a_100102525003_100000211634 [0,1,0,0,0,1|1,0,0]=3 6725 B14R1.148 NC(=O)CCCSc1cccc(c1)[S] 62a_100102525003_114929384022 [0,1,0,0,0,1|1,0,0]=3 6726 B14R1.148 NC(=O)CCCSc1cccc(c1)[S] 62a_114929384022_100102525003 [0,1,0,0,0,1|1,0,0]=3 6727 B14R1.148 NC(=O)CCCSc1cccc(n1)Br 62a_100000684672_100102525003 [0,1,0,0,0,1|2,0,0]=4 6728 B14R1.148 NC(=O)CCCSc1cccc(n1)Br 62a_100102525003_100000684672 [0,1,0,0,0,1|2,0,0]=4 6729 B14R1.148 NC(=O)CCCSc1cccc(n1)Cl 62a_100000051397_100102525003 [0,1,0,0,0,1|2,0,0]=4 6730 B14R1.148 NC(=O)CCCSc1cccc(n1)Cl 62a_100102525003_100000051397 [0,1,0,0,0,1|2,0,0]=4 6731 B14R1.148 NC(=O)CCCSc1cccc(n1)F 62a_100009815982_100102525003 [0,1,0,0,0,1|2,0,0]=4 6732 B14R1.148 NC(=O)CCCSc1cccc(n1)F 62a_100102525003_100009815982 [0,1,0,0,0,1|2,0,0]=4 6733 B14R1.148 NC(=O)CCCSc1cccc(n1)N 62a_100000740741_100102525003 [0,1,0,0,0,1|2,0,0]=4 6734 B14R1.148 NC(=O)CCCSc1cccc(n1)N 62a_100102525003_100000740741 [0,1,0,0,0,1|2,0,0]=4 6735 B14R1.148 NC(=O)CCCSc1ccnc(c1)Br 62a_100009814637_100102525003 [0,1,0,0,0,1|2,0,0]=4 6736 B14R1.148 NC(=O)CCCSc1ccnc(c1)Br 62a_100102525003_100009814637 [0,1,0,0,0,1|2,0,0]=4 6737 B14R1.148 NC(=O)CCCSc1ccnc(c1)Cl 62a_100000035001_100102525003 [0,1,0,0,0,1|2,0,0]=4 6738 B14R1.148 NC(=O)CCCSc1ccnc(c1)Cl 62a_100102525003_100000035001 [0,1,0,0,0,1|2,0,0]=4 6739 B14R1.148 NC(=O)CCCSc1ccnc(c1)F 62a_100009816116_100102525003 [0,1,0,0,0,1|2,0,0]=4 6740 B14R1.148 NC(=O)CCCSc1ccnc(c1)F 62a_100102525003_100009816116 [0,1,0,0,0,1|2,0,0]=4 6741 B14R1.148 NC(=O)CCCSc1ccnc(c1)N 62a_100000049665_100102525003 [0,1,0,0,0,1|2,0,0]=4 6742 B14R1.148 NC(=O)CCCSc1ccnc(c1)N 62a_100102525003_100000049665 [0,1,0,0,0,1|2,0,0]=4 6743 B14R1.148 NC(=O)CCCSc1cncc(c1)Br 62a_100000728054_100102525003 [0,1,0,0,0,1|2,0,0]=4 6744 B14R1.148 NC(=O)CCCSc1cncc(c1)Br 62a_100102525003_100000728054 [0,1,0,0,0,1|2,0,0]=4 6745 B14R1.148 NC(=O)CCCSc1cncc(c1)Cl 62a_100000049639_100102525003 [0,1,0,0,0,1|2,0,0]=4 6746 B14R1.148 NC(=O)CCCSc1cncc(c1)Cl 62a_100102525003_100000049639 [0,1,0,0,0,1|2,0,0]=4 6747 B14R1.148 NC(=O)CCCSc1cncc(c1)F 62a_100000744099_100102525003 [0,1,0,0,0,1|2,0,0]=4 6748 B14R1.148 NC(=O)CCCSc1cncc(c1)F 62a_100102525003_100000744099 [0,1,0,0,0,1|2,0,0]=4 6749 B14R1.148 NC(=O)CCCSc1cncc(c1)N 62a_100000687067_100102525003 [0,1,0,0,0,1|2,0,0]=4 6750 B14R1.148 NC(=O)CCCSc1cncc(c1)N 62a_100102525003_100000687067 [0,1,0,0,0,1|2,0,0]=4 6751 B14R1.148 NC(=O)CCCSc1cncc(c1)O 62a_100000754920_100102525003 [0,1,0,0,0,1|2,0,0]=4 6752 B14R1.148 NC(=O)CCCSc1cncc(c1)O 62a_100102525003_100000754920 [0,1,0,0,0,1|2,0,0]=4 6753 B14R1.148 NC(=O)CCNCc1cccc(=O)[nH]1 207a_100000740010_100011935257 [0,1,0,0,0,1|2,0,0]=4 6754 B14R1.148 NC(=O)CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000744528 [0,1,0,0,0,1|2,0,0]=4 6755 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 207a_100000740010_100000210085 [0,1,0,0,0,1|1,0,0]=3 6756 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 2230a_100000174977_100000744528 [0,1,0,0,0,1|1,0,0]=3 6757 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 34a_100000174977_100000731001 [0,1,0,0,0,1|1,0,0]=3 6758 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 207a_100000740010_100000210801 [0,1,0,0,0,1|1,0,0]=3 6759 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 2230a_100000174878_100000744528 [0,1,0,0,0,1|1,0,0]=3 6760 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 34a_100000174878_100000731001 [0,1,0,0,0,1|1,0,0]=3 6761 B14R1.148 NC(=O)CCNCc1cccc(c1)F 207a_100000740010_100000210812 [0,1,0,0,0,1|1,0,0]=3 6762 B14R1.148 NC(=O)CCNCc1cccc(c1)F 2230a_100000174948_100000744528 [0,1,0,0,0,1|1,0,0]=3 6763 B14R1.148 NC(=O)CCNCc1cccc(c1)F 34a_100000174948_100000731001 [0,1,0,0,0,1|1,0,0]=3 6764 B14R1.148 NC(=O)CCNCc1cccc(c1)I 207a_100000740010_100000014684 [0,1,0,0,0,1|1,0,0]=3 6765 B14R1.148 NC(=O)CCNCc1cccc(c1)I 2230a_100000106179_100000744528 [0,1,0,0,0,1|1,0,0]=3 6766 B14R1.148 NC(=O)CCNCc1cccc(c1)I 34a_100000106179_100000731001 [0,1,0,0,0,1|1,0,0]=3 6767 B14R1.148 NC(=O)CCNCc1cccc(c1)O 207a_100000740010_100000188321 [0,1,0,0,0,1|1,0,0]=3 6768 B14R1.148 NC(=O)CCNCc1cccc(c1)O 2230a_100000743036_100000744528 [0,1,0,0,0,1|1,0,0]=3 6769 B14R1.148 NC(=O)CCNCc1cccc(c1)O 34a_100000743036_100000731001 [0,1,0,0,0,1|1,0,0]=3 6770 B14R1.148 NC(=O)CCNCc1cccc(n1)Br 2230a_100016987751_100000744528 [0,1,0,0,0,1|2,0,0]=4 6771 B14R1.148 NC(=O)CCNCc1cccc(n1)Cl 2230a_100016990191_100000744528 [0,1,0,0,0,1|2,0,0]=4 6772 B14R1.148 NC(=O)CCNCc1cccc(n1)F 2230a_100015188798_100000744528 [0,1,0,0,0,1|2,0,0]=4 6773 B14R1.148 NC(=O)CCNCc1cccc(n1)F 34a_100015188798_100000731001 [0,1,0,0,0,1|2,0,0]=4 6774 B14R1.148 NC(=O)CCNCc1ccnc(c1)Br 2230a_100025757509_100000744528 [0,1,0,0,0,1|2,0,0]=4 6775 B14R1.148 NC(=O)CCNCc1ccnc(c1)Br 34a_100025757509_100000731001 [0,1,0,0,0,1|2,0,0]=4 6776 B14R1.148 NC(=O)CCNCc1ccnc(c1)Cl 2230a_100015205668_100000744528 [0,1,0,0,0,1|2,0,0]=4 6777 B14R1.148 NC(=O)CCNCc1ccnc(c1)Cl 34a_100015205668_100000731001 [0,1,0,0,0,1|2,0,0]=4 6778 B14R1.148 NC(=O)CCNCc1ccnc(c1)F 2230a_100015188774_100000744528 [0,1,0,0,0,1|2,0,0]=4 6779 B14R1.148 NC(=O)CCNCc1ccnc(c1)F 34a_100015188774_100000731001 [0,1,0,0,0,1|2,0,0]=4 6780 B14R1.148 NC(=O)CCNCc1ccnc(c1)O 207a_100000740010_100000688113 [0,1,0,0,0,1|2,0,0]=4 6781 B14R1.148 NC(=O)CCNCc1cncc(c1)Br 207a_100000740010_100000687066 [0,1,0,0,0,1|2,0,0]=4 6782 B14R1.148 NC(=O)CCNCc1cncc(c1)Cl 207a_100000740010_100000088910 [0,1,0,0,0,1|2,0,0]=4 6783 B14R1.148 NC(=O)CCNCc1cncc(c1)Cl 2230a_200020614424_100000744528 [0,1,0,0,0,1|2,0,0]=4 6784 B14R1.148 NC(=O)CCNCc1cncc(c1)F 207a_100000740010_100011361476 [0,1,0,0,0,1|2,0,0]=4 6785 B14R1.148 NC(=O)CCNCc1cncc(c1)F 2230a_100011962886_100000744528 [0,1,0,0,0,1|2,0,0]=4 6786 B14R1.148 NC(=O)CCNCc1cncc(c1)F 34a_100011962886_100000731001 [0,1,0,0,0,1|2,0,0]=4 6787 B14R1.148 NC(=O)CCNCc1cncc(c1)O 207a_100000740010_100012187055 [0,1,0,0,0,1|2,0,0]=4 6788 B14R1.148 NC(=O)CCOCc1cc(ccn1)Br 34a_100000757172_100010173614 [0,1,0,0,0,1|2,0,0]=4 6789 B14R1.148 NC(=O)CCOCc1cc(ccn1)Br 7a_100000757172_100010173614 [0,1,0,0,0,1|2,0,0]=4 6790 B14R1.148 NC(=O)CCOCc1cc(ccn1)Cl 34a_100000748867_100000731001 [0,1,0,0,0,1|2,0,0]=4 6791 B14R1.148 NC(=O)CCOCc1cc(ccn1)Cl 34a_100000757172_100016988179 [0,1,0,0,0,1|2,0,0]=4 6792 B14R1.148 NC(=O)CCOCc1cc(ccn1)Cl 7a_100000757172_100016988179 [0,1,0,0,0,1|2,0,0]=4 6793 B14R1.148 NC(=O)CCOCc1cc(ccn1)N 34a_100000692640_100000731001 [0,1,0,0,0,1|2,0,0]=4 6794 B14R1.148 NC(=O)CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000731001 [0,1,0,0,0,1|2,0,0]=4 6795 B14R1.148 NC(=O)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000744528 [0,1,0,0,0,1|2,0,0]=4 6796 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 34a_100000687537_100000731001 [0,1,0,0,0,1|1,0,0]=3 6797 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 34a_100000757172_100000698116 [0,1,0,0,0,1|1,0,0]=3 6798 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000744528 [0,1,0,0,0,1|1,0,0]=3 6799 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 7a_100000757172_100000211773 [0,1,0,0,0,1|1,0,0]=3 6800 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 34a_100000241301_100000731001 [0,1,0,0,0,1|1,0,0]=3 6801 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 34a_100000757172_100000187163 [0,1,0,0,0,1|1,0,0]=3 6802 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000744528 [0,1,0,0,0,1|1,0,0]=3 6803 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 7a_100000757172_100000187163 [0,1,0,0,0,1|1,0,0]=3 6804 B14R1.148 NC(=O)CCOCc1cccc(c1)F 34a_100000210976_100000731001 [0,1,0,0,0,1|1,0,0]=3 6805 B14R1.148 NC(=O)CCOCc1cccc(c1)F 34a_100000757172_100000187166 [0,1,0,0,0,1|1,0,0]=3 6806 B14R1.148 NC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000744528 [0,1,0,0,0,1|1,0,0]=3 6807 B14R1.148 NC(=O)CCOCc1cccc(c1)F 7a_100000757172_100000230114 [0,1,0,0,0,1|1,0,0]=3 6808 B14R1.148 NC(=O)CCOCc1cccc(c1)I 34a_100000757172_100011218688 [0,1,0,0,0,1|1,0,0]=3 6809 B14R1.148 NC(=O)CCOCc1cccc(c1)I 34a_100011215336_100000731001 [0,1,0,0,0,1|1,0,0]=3 6810 B14R1.148 NC(=O)CCOCc1cccc(c1)I 7a_100000757172_100011218688 [0,1,0,0,0,1|1,0,0]=3 6811 B14R1.148 NC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000744528 [0,1,0,0,0,1|1,0,0]=3 6812 B14R1.148 NC(=O)CCOCc1cccc(c1)N 34a_100000211919_100000731001 [0,1,0,0,0,1|1,0,0]=3 6813 B14R1.148 NC(=O)CCOCc1cccc(c1)O 34a_100000757172_100011660834 [0,1,0,0,0,1|1,0,0]=3 6814 B14R1.148 NC(=O)CCOCc1cccc(c1)O 7a_100000757172_100000084143 [0,1,0,0,0,1|1,0,0]=3 6815 B14R1.148 NC(=O)CCOCc1cccc(n1)Br 34a_100000694195_100000731001 [0,1,0,0,0,1|2,0,0]=4 6816 B14R1.148 NC(=O)CCOCc1cccc(n1)Br 34a_100000757172_100009889011 [0,1,0,0,0,1|2,0,0]=4 6817 B14R1.148 NC(=O)CCOCc1cccc(n1)Br 7a_100000757172_100009889011 [0,1,0,0,0,1|2,0,0]=4 6818 B14R1.148 NC(=O)CCOCc1cccc(n1)Cl 34a_100000757172_100000086093 [0,1,0,0,0,1|2,0,0]=4 6819 B14R1.148 NC(=O)CCOCc1cccc(n1)Cl 34a_100011998359_100000731001 [0,1,0,0,0,1|2,0,0]=4 6820 B14R1.148 NC(=O)CCOCc1cccc(n1)Cl 7a_100000757172_100000086093 [0,1,0,0,0,1|2,0,0]=4 6821 B14R1.148 NC(=O)CCOCc1cccc(n1)F 34a_100000086748_100000731001 [0,1,0,0,0,1|2,0,0]=4 6822 B14R1.148 NC(=O)CCOCc1cccc(n1)F 34a_100000757172_100009819644 [0,1,0,0,0,1|2,0,0]=4 6823 B14R1.148 NC(=O)CCOCc1cccc(n1)F 7a_100000757172_100009819644 [0,1,0,0,0,1|2,0,0]=4 6824 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 34a_100000757172_100010243470 [0,1,0,0,0,1|2,0,0]=4 6825 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 34a_100009814636_100000731001 [0,1,0,0,0,1|2,0,0]=4 6826 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 7a_100000757172_100010254460 [0,1,0,0,0,1|2,0,0]=4 6827 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 7a_100009814636_100000744528 [0,1,0,0,0,1|2,0,0]=4 6828 B14R1.148 NC(=O)CCOCc1ccnc(c1)Cl 34a_100000748751_100000731001 [0,1,0,0,0,1|2,0,0]=4 6829 B14R1.148 NC(=O)CCOCc1ccnc(c1)Cl 34a_100000757172_100000764220 [0,1,0,0,0,1|2,0,0]=4 6830 B14R1.148 NC(=O)CCOCc1ccnc(c1)Cl 7a_100000757172_100000764220 [0,1,0,0,0,1|2,0,0]=4 6831 B14R1.148 NC(=O)CCOCc1ccnc(c1)F 34a_100000082451_100000731001 [0,1,0,0,0,1|2,0,0]=4 6832 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 34a_100000757172_100000738771 [0,1,0,0,0,1|2,0,0]=4 6833 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 34a_100011259137_100000731001 [0,1,0,0,0,1|2,0,0]=4 6834 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 7a_100000757172_100000738771 [0,1,0,0,0,1|2,0,0]=4 6835 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 7a_100011259137_100000744528 [0,1,0,0,0,1|2,0,0]=4 6836 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 34a_100000092867_100000731001 [0,1,0,0,0,1|2,0,0]=4 6837 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 34a_100000757172_100016992070 [0,1,0,0,0,1|2,0,0]=4 6838 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 7a_100000092867_100000744528 [0,1,0,0,0,1|2,0,0]=4 6839 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 7a_100000757172_100016992070 [0,1,0,0,0,1|2,0,0]=4 6840 B14R1.148 NC(=O)CCOCc1cncc(c1)F 34a_100000757172_100000725299 [0,1,0,0,0,1|2,0,0]=4 6841 B14R1.148 NC(=O)CCOCc1cncc(c1)F 34a_100011962875_100000731001 [0,1,0,0,0,1|2,0,0]=4 6842 B14R1.148 NC(=O)CCOCc1cncc(c1)F 7a_100000757172_100000725299 [0,1,0,0,0,1|2,0,0]=4 6843 B14R1.148 NC(=O)CCOCc1cncc(c1)F 7a_100011962875_100000744528 [0,1,0,0,0,1|2,0,0]=4 6844 B14R1.148 NC(=O)CCOCc1cncc(c1)N 34a_100000085308_100000731001 [0,1,0,0,0,1|2,0,0]=4 6845 B14R1.148 NC(=O)CCSCc1cc(ccn1)Br 62a_100000744528_100010173614 [0,1,0,0,0,1|2,0,0]=4 6846 B14R1.148 NC(=O)CCSCc1cc(ccn1)Br 62a_100010173614_100000744528 [0,1,0,0,0,1|2,0,0]=4 6847 B14R1.148 NC(=O)CCSCc1cc(ccn1)Cl 62a_100000744528_100016988179 [0,1,0,0,0,1|2,0,0]=4 6848 B14R1.148 NC(=O)CCSCc1cc(ccn1)Cl 62a_100016988179_100000744528 [0,1,0,0,0,1|2,0,0]=4 6849 B14R1.148 NC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000744528 [0,1,0,0,0,1|1,0,0]=3 6850 B14R1.148 NC(=O)CCSCc1cccc(c1)Br 62a_100000744528_100000211773 [0,1,0,0,0,1|1,0,0]=3 6851 B14R1.148 NC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000744528 [0,1,0,0,0,1|1,0,0]=3 6852 B14R1.148 NC(=O)CCSCc1cccc(c1)Cl 62a_100000744528_100000187163 [0,1,0,0,0,1|1,0,0]=3 6853 B14R1.148 NC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000744528 [0,1,0,0,0,1|1,0,0]=3 6854 B14R1.148 NC(=O)CCSCc1cccc(c1)F 62a_100000744528_100000230114 [0,1,0,0,0,1|1,0,0]=3 6855 B14R1.148 NC(=O)CCSCc1cccc(c1)I 62a_100000744528_100011218688 [0,1,0,0,0,1|1,0,0]=3 6856 B14R1.148 NC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000744528 [0,1,0,0,0,1|1,0,0]=3 6857 B14R1.148 NC(=O)CCSCc1cccc(c1)O 62a_100000744528_100011660834 [0,1,0,0,0,1|1,0,0]=3 6858 B14R1.148 NC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000744528 [0,1,0,0,0,1|1,0,0]=3 6859 B14R1.148 NC(=O)CCSCc1cccc(n1)Br 62a_100000744528_100009889011 [0,1,0,0,0,1|2,0,0]=4 6860 B14R1.148 NC(=O)CCSCc1cccc(n1)Br 62a_100009889011_100000744528 [0,1,0,0,0,1|2,0,0]=4 6861 B14R1.148 NC(=O)CCSCc1cccc(n1)Cl 62a_100000086093_100000744528 [0,1,0,0,0,1|2,0,0]=4 6862 B14R1.148 NC(=O)CCSCc1cccc(n1)Cl 62a_100000744528_100000086093 [0,1,0,0,0,1|2,0,0]=4 6863 B14R1.148 NC(=O)CCSCc1cccc(n1)F 62a_100000744528_100009819644 [0,1,0,0,0,1|2,0,0]=4 6864 B14R1.148 NC(=O)CCSCc1cccc(n1)F 62a_100009819644_100000744528 [0,1,0,0,0,1|2,0,0]=4 6865 B14R1.148 NC(=O)CCSCc1ccnc(c1)Br 62a_100000744528_100010243470 [0,1,0,0,0,1|2,0,0]=4 6866 B14R1.148 NC(=O)CCSCc1ccnc(c1)Br 62a_100010254460_100000744528 [0,1,0,0,0,1|2,0,0]=4 6867 B14R1.148 NC(=O)CCSCc1ccnc(c1)Cl 62a_100000744528_100000764220 [0,1,0,0,0,1|2,0,0]=4 6868 B14R1.148 NC(=O)CCSCc1ccnc(c1)Cl 62a_100000764220_100000744528 [0,1,0,0,0,1|2,0,0]=4 6869 B14R1.148 NC(=O)CCSCc1cncc(c1)Br 62a_100000738771_100000744528 [0,1,0,0,0,1|2,0,0]=4 6870 B14R1.148 NC(=O)CCSCc1cncc(c1)Br 62a_100000744528_100000738771 [0,1,0,0,0,1|2,0,0]=4 6871 B14R1.148 NC(=O)CCSCc1cncc(c1)Cl 62a_100000744528_100016992070 [0,1,0,0,0,1|2,0,0]=4 6872 B14R1.148 NC(=O)CCSCc1cncc(c1)Cl 62a_100016992070_100000744528 [0,1,0,0,0,1|2,0,0]=4 6873 B14R1.148 NC(=O)CCSCc1cncc(c1)F 62a_100000725299_100000744528 [0,1,0,0,0,1|2,0,0]=4 6874 B14R1.148 NC(=O)CCSCc1cncc(c1)F 62a_100000744528_100000725299 [0,1,0,0,0,1|2,0,0]=4 6875 B14R1.148 NC(=O)CNCCc1cccc(c1)Br 2230a_100000711301_100011740638 [0,1,0,0,0,1|1,0,0]=3 6876 B14R1.148 NC(=O)CNCCc1cccc(c1)Br 2230a_100011207229_100000747473 [0,1,0,0,0,1|1,0,0]=3 6877 B14R1.148 NC(=O)CNCCc1cccc(c1)Br 34a_100011207229_100000187820 [0,1,0,0,0,1|1,0,0]=3 6878 B14R1.148 NC(=O)CNCCc1cccc(c1)Cl 2230a_100000185263_100000747473 [0,1,0,0,0,1|1,0,0]=3 6879 B14R1.148 NC(=O)CNCCc1cccc(c1)Cl 2230a_100000711301_100011713710 [0,1,0,0,0,1|1,0,0]=3 6880 B14R1.148 NC(=O)CNCCc1cccc(c1)Cl 34a_100000185263_100000187820 [0,1,0,0,0,1|1,0,0]=3 6881 B14R1.148 NC(=O)CNCCc1cccc(c1)F 2230a_100000205154_100000747473 [0,1,0,0,0,1|1,0,0]=3 6882 B14R1.148 NC(=O)CNCCc1cccc(c1)F 2230a_100000711301_100011217235 [0,1,0,0,0,1|1,0,0]=3 6883 B14R1.148 NC(=O)CNCCc1cccc(c1)F 34a_100000205154_100000187820 [0,1,0,0,0,1|1,0,0]=3 6884 B14R1.148 NC(=O)CNCCc1cccc(c1)O 2230a_100000747277_100000747473 [0,1,0,0,0,1|1,0,0]=3 6885 B14R1.148 NC(=O)CNCCc1cccc(c1)O 34a_100000747277_100000187820 [0,1,0,0,0,1|1,0,0]=3 6886 B14R1.148 NC(=O)COCCc1cccc(c1)Br 34a_100011217444_100000187820 [0,1,0,0,0,1|1,0,0]=3 6887 B14R1.148 NC(=O)COCCc1cccc(c1)Br 7a_100011217444_100000187820 [0,1,0,0,0,1|1,0,0]=3 6888 B14R1.148 NC(=O)COCCc1cccc(c1)Cl 34a_100000754733_100000187820 [0,1,0,0,0,1|1,0,0]=3 6889 B14R1.148 NC(=O)COCCc1cccc(c1)Cl 7a_100000754733_100000187820 [0,1,0,0,0,1|1,0,0]=3 6890 B14R1.148 NC(=O)COCCc1cccc(c1)F 34a_100000763591_100000187820 [0,1,0,0,0,1|1,0,0]=3 6891 B14R1.148 NC(=O)COCCc1cccc(c1)F 7a_100000763591_100000187820 [0,1,0,0,0,1|1,0,0]=3 6892 B14R1.148 NC(=O)COCCc1cccc(c1)N 34a_100011996697_100000187820 [0,1,0,0,0,1|1,0,0]=3 6893 B14R1.148 NC(=O)COCCc1cccc(n1)Br 34a_100010221043_100000187820 [0,1,0,0,0,1|2,0,0]=4 6894 B14R1.148 NC(=O)COCCc1cccc(n1)Br 7a_100010221043_100000187820 [0,1,0,0,0,1|2,0,0]=4 6895 B14R1.148 NC(=O)CSCCc1cccc(c1)Br 62a_100000747473_100011740638 [0,1,0,0,0,1|1,0,0]=3 6896 B14R1.148 NC(=O)CSCCc1cccc(c1)Br 62a_100011740638_100000747473 [0,1,0,0,0,1|1,0,0]=3 6897 B14R1.148 NC(=O)CSCCc1cccc(c1)Cl 62a_100000747473_100011713710 [0,1,0,0,0,1|1,0,0]=3 6898 B14R1.148 NC(=O)CSCCc1cccc(c1)Cl 62a_100011713710_100000747473 [0,1,0,0,0,1|1,0,0]=3 6899 B14R1.148 NC(=O)CSCCc1cccc(c1)F 62a_100000747473_100011217235 [0,1,0,0,0,1|1,0,0]=3 6900 B14R1.148 NC(=O)CSCCc1cccc(c1)F 62a_100011217235_100000747473 [0,1,0,0,0,1|1,0,0]=3 6901 B14R1.148 NC(=O)NCCOc1cccc(c1)Br 7a_100000210342_200000034859 [0,1,0,0,0,1|2,0,0]=4 6902 B14R1.148 NC(=O)NCCOc1cccc(c1)Cl 7a_100000210295_200000034859 [0,1,0,0,0,1|2,0,0]=4 6903 B14R1.148 NC(=O)NCCOc1cccc(c1)F 7a_100000210426_200000034859 [0,1,0,0,0,1|2,0,0]=4 6904 B14R1.148 NC(=O)NCCOc1cccc(c1)I 7a_100000211634_200000034859 [0,1,0,0,0,1|2,0,0]=4 6905 B14R1.148 NC(=O)NCCSc1cccc(c1)Br 62a_100000691529_200000034859 [0,1,0,0,0,1|2,0,0]=4 6906 B14R1.148 NC(=O)NCCSc1cccc(c1)Br 62a_200000034859_100000691529 [0,1,0,0,0,1|2,0,0]=4 6907 B14R1.148 NC(=O)NCCSc1cccc(c1)Cl 62a_100000699651_200000034859 [0,1,0,0,0,1|2,0,0]=4 6908 B14R1.148 NC(=O)NCCSc1cccc(c1)Cl 62a_200000034859_100000699651 [0,1,0,0,0,1|2,0,0]=4 6909 B14R1.148 NC(=O)NCCSc1cccc(c1)F 62a_100000685547_200000034859 [0,1,0,0,0,1|2,0,0]=4 6910 B14R1.148 NC(=O)NCCSc1cccc(c1)F 62a_200000034859_100000685547 [0,1,0,0,0,1|2,0,0]=4 6911 B14R1.148 NC(=O)NCCSc1cccc(c1)N 62a_100000210019_200000034859 [0,1,0,0,0,1|2,0,0]=4 6912 B14R1.148 NC(=O)NCCSc1cccc(c1)N 62a_200000034859_100000210019 [0,1,0,0,0,1|2,0,0]=4 6913 B14R1.148 NC(=O)NCCSc1cccc(c1)O 62a_200000034859_100000211634 [0,1,0,0,0,1|2,0,0]=4 6914 B14R1.148 NC(=O)NCCSc1cccc(c1)[S] 62a_114929384022_200000034859 [0,1,0,0,0,1|2,0,0]=4 6915 B14R1.148 NC(=O)NCCSc1cccc(c1)[S] 62a_200000034859_114929384022 [0,1,0,0,0,1|2,0,0]=4 6916 B14R1.148 NC(=O)OCCNc1cccc(c1)Br 34a_100000210019_200011214921 [0,1,0,0,0,1|2,0,0]=4 6917 B14R1.148 NC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_200011214921 [0,1,0,0,0,1|2,0,0]=4 6918 B14R1.148 NC(=O)OCCNc1cccc(c1)F 34a_100000210047_200011214921 [0,1,0,0,0,1|2,0,0]=4 6919 B14R1.148 NC(=O)OCCNc1cccc(c1)I 34a_100000211102_200011214921 [0,1,0,0,0,1|2,0,0]=4 6920 B14R1.148 NC(=O)OCCNc1cccc(c1)O 34a_100000210217_200011214921 [0,1,0,0,0,1|2,0,0]=4 6921 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 34a_100000210342_200011214921 [0,1,0,0,0,1|2,0,0]=4 6922 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 7a_100000210342_200011214921 [0,1,0,0,0,1|2,0,0]=4 6923 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_200011214921 [0,1,0,0,0,1|2,0,0]=4 6924 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_200011214921 [0,1,0,0,0,1|2,0,0]=4 6925 B14R1.148 NC(=O)OCCOc1cccc(c1)F 34a_100000210426_200011214921 [0,1,0,0,0,1|2,0,0]=4 6926 B14R1.148 NC(=O)OCCOc1cccc(c1)F 7a_100000210426_200011214921 [0,1,0,0,0,1|2,0,0]=4 6927 B14R1.148 NC(=O)OCCOc1cccc(c1)I 34a_100000211634_200011214921 [0,1,0,0,0,1|2,0,0]=4 6928 B14R1.148 NC(=O)OCCOc1cccc(c1)I 7a_100000211634_200011214921 [0,1,0,0,0,1|2,0,0]=4 6929 B14R1.148 NC(=O)OCCOc1cccc(c1)N 34a_100000210217_200011214921 [0,1,0,0,0,1|2,0,0]=4 6930 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_100000691529_200011214921 [0,1,0,0,0,1|2,0,0]=4 6931 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_200011214921_100000691529 [0,1,0,0,0,1|2,0,0]=4 6932 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_200011214921 [0,1,0,0,0,1|2,0,0]=4 6933 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_200011214921_100000699651 [0,1,0,0,0,1|2,0,0]=4 6934 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_100000685547_200011214921 [0,1,0,0,0,1|2,0,0]=4 6935 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_200011214921_100000685547 [0,1,0,0,0,1|2,0,0]=4 6936 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_100000210019_200011214921 [0,1,0,0,0,1|2,0,0]=4 6937 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_200011214921_100000210019 [0,1,0,0,0,1|2,0,0]=4 6938 B14R1.148 NC(=O)OCCSc1cccc(c1)O 62a_200011214921_100000211634 [0,1,0,0,0,1|2,0,0]=4 6939 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_200011214921 [0,1,0,0,0,1|2,0,0]=4 6940 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_200011214921_114929384022 [0,1,0,0,0,1|2,0,0]=4 6941 B14R1.148 Nc1cccc(c1)CCOCC(=O)[O-] 34a_100011996697_100020667443 [0,1,0,0,0,1|0,0,1]=3 6942 B14R1.148 Nc1cccc(c1)CCOC[N+](=O)[O-] 34a_100011996697_100000761209 [0,1,0,0,0,1|1,0,1]=4 6943 B14R1.148 O=C(O)CNCCc1cccc(c1)Br 269956a_100016091260_100011740638 [0,1,0,0,0,1|0,0,0]=2 6944 B14R1.148 O=C(O)CNCCc1cccc(c1)Cl 269956a_100016091260_100011713710 [0,1,0,0,0,1|0,0,0]=2 6945 B14R1.148 O=C(O)CNCCc1cccc(c1)F 269956a_100016091260_100011217235 [0,1,0,0,0,1|0,0,0]=2 6946 B14R1.148 O=C(O)CONCc1cc(ccn1)Br 269956a_100000106656_100010173614 [0,1,0,0,0,1|2,0,0]=4 6947 B14R1.148 O=C(O)CONCc1cc(ccn1)Cl 269956a_100000106656_100016988179 [0,1,0,0,0,1|2,0,0]=4 6948 B14R1.148 O=C(O)CONCc1cccc(c1)Br 269956a_100000106656_100000211773 [0,1,0,0,0,1|1,0,0]=3 6949 B14R1.148 O=C(O)CONCc1cccc(c1)Cl 269956a_100000106656_100000187163 [0,1,0,0,0,1|1,0,0]=3 6950 B14R1.148 O=C(O)CONCc1cccc(c1)F 269956a_100000106656_100000230114 [0,1,0,0,0,1|1,0,0]=3 6951 B14R1.148 O=C(O)CONCc1cccc(c1)I 269956a_100000106656_100011218688 [0,1,0,0,0,1|1,0,0]=3 6952 B14R1.148 O=C(O)CONCc1cccc(c1)O 269956a_100000106656_100011660834 [0,1,0,0,0,1|1,0,0]=3 6953 B14R1.148 O=C(O)CONCc1cccc(n1)Br 269956a_100000106656_100009889011 [0,1,0,0,0,1|2,0,0]=4 6954 B14R1.148 O=C(O)CONCc1cccc(n1)Cl 269956a_100000106656_100000086093 [0,1,0,0,0,1|2,0,0]=4 6955 B14R1.148 O=C(O)CONCc1cccc(n1)F 269956a_100000106656_100009819644 [0,1,0,0,0,1|2,0,0]=4 6956 B14R1.148 O=C(O)CONCc1ccnc(c1)Br 269956a_100000106656_100010254460 [0,1,0,0,0,1|2,0,0]=4 6957 B14R1.148 O=C(O)CONCc1ccnc(c1)Cl 269956a_100000106656_100000764220 [0,1,0,0,0,1|2,0,0]=4 6958 B14R1.148 O=C(O)CONCc1cncc(c1)Br 269956a_100000106656_100000738771 [0,1,0,0,0,1|2,0,0]=4 6959 B14R1.148 O=C(O)CONCc1cncc(c1)Cl 269956a_100000106656_100016992070 [0,1,0,0,0,1|2,0,0]=4 6960 B14R1.148 O=C(O)CONCc1cncc(c1)F 269956a_100000106656_100000725299 [0,1,0,0,0,1|2,0,0]=4 6961 B14R1.148 O=C([O-])CNCCc1cccc(c1)Br 34a_100011207229_100020667443 [0,1,0,0,0,1|0,0,1]=3 6962 B14R1.148 O=C([O-])CNCCc1cccc(c1)Cl 34a_100000185263_100020667443 [0,1,0,0,0,1|0,0,1]=3 6963 B14R1.148 O=C([O-])CNCCc1cccc(c1)F 34a_100000205154_100020667443 [0,1,0,0,0,1|0,0,1]=3 6964 B14R1.148 O=C([O-])CNCCc1cccc(c1)O 34a_100000747277_100020667443 [0,1,0,0,0,1|0,0,1]=3 6965 B14R1.148 O=C([O-])COCCc1cccc(c1)Br 34a_100011217444_100020667443 [0,1,0,0,0,1|0,0,1]=3 6966 B14R1.148 O=C([O-])COCCc1cccc(c1)Cl 34a_100000754733_100020667443 [0,1,0,0,0,1|0,0,1]=3 6967 B14R1.148 O=C([O-])COCCc1cccc(c1)F 34a_100000763591_100020667443 [0,1,0,0,0,1|0,0,1]=3 6968 B14R1.148 O=C([O-])COCCc1cccc(n1)Br 34a_100010221043_100020667443 [0,1,0,0,0,1|1,0,1]=4 6969 B14R1.148 O=C([O-])CSCCc1cccc(c1)Br 62a_100011740638_100020667443 [0,1,0,0,0,1|0,0,1]=3 6970 B14R1.148 O=C([O-])CSCCc1cccc(c1)Br 62a_100020667443_100011740638 [0,1,0,0,0,1|0,0,1]=3 6971 B14R1.148 O=C([O-])CSCCc1cccc(c1)Cl 62a_100011713710_100020667443 [0,1,0,0,0,1|0,0,1]=3 6972 B14R1.148 O=C([O-])CSCCc1cccc(c1)Cl 62a_100020667443_100011713710 [0,1,0,0,0,1|0,0,1]=3 6973 B14R1.148 O=C([O-])CSCCc1cccc(c1)F 62a_100011217235_100020667443 [0,1,0,0,0,1|0,0,1]=3 6974 B14R1.148 O=C([O-])CSCCc1cccc(c1)F 62a_100020667443_100011217235 [0,1,0,0,0,1|0,0,1]=3 6975 B14R1.148 O=[N+]([O-])CNCCc1cccc(c1)Br 34a_100011207229_100000761209 [0,1,0,0,0,1|1,0,1]=4 6976 B14R1.148 O=[N+]([O-])CNCCc1cccc(c1)Cl 34a_100000185263_100000761209 [0,1,0,0,0,1|1,0,1]=4 6977 B14R1.148 O=[N+]([O-])CNCCc1cccc(c1)F 34a_100000205154_100000761209 [0,1,0,0,0,1|1,0,1]=4 6978 B14R1.148 O=[N+]([O-])CNCCc1cccc(c1)O 34a_100000747277_100000761209 [0,1,0,0,0,1|1,0,1]=4 6979 B14R1.148 O=[N+]([O-])COCCc1cccc(c1)Br 34a_100011217444_100000761209 [0,1,0,0,0,1|1,0,1]=4 6980 B14R1.148 O=[N+]([O-])COCCc1cccc(c1)Cl 34a_100000754733_100000761209 [0,1,0,0,0,1|1,0,1]=4 6981 B14R1.148 O=[N+]([O-])COCCc1cccc(c1)F 34a_100000763591_100000761209 [0,1,0,0,0,1|1,0,1]=4 6982 B14R1.148 O=[N+]([O-])CSCCc1cccc(c1)Br 62a_100011740638_100000761209 [0,1,0,0,0,1|1,0,1]=4 6983 B14R1.148 O=[N+]([O-])CSCCc1cccc(c1)Cl 62a_100011713710_100000761209 [0,1,0,0,0,1|1,0,1]=4 6984 B14R1.148 O=[N+]([O-])CSCCc1cccc(c1)F 62a_100011217235_100000761209 [0,1,0,0,0,1|1,0,1]=4 6985 B14R1.148 [13CH3]C(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200025704644 [0,1,0,0,0,1|1,0,0]=3 6986 B14R1.148 [13CH3]C(=O)CCCOc1cccc(c1)O 1458a_200009913207_200025704644 [0,1,0,0,0,1|1,0,0]=3 6987 B14R1.159 C=C(Br)CCOCc1ccccc1Br 34a_100009813270_100000184730 [0,1,0,0,0,1|2,0,0]=4 6988 B14R1.159 C=C(Br)CCOCc1ccccc1C 34a_100009813270_100000211839 [0,1,0,0,0,1|2,0,0]=4 6989 B14R1.159 C=C(Br)CCOCc1ccccc1Cl 34a_100009813270_100000187162 [0,1,0,0,0,1|2,0,0]=4 6990 B14R1.159 C=C(Br)CCOCc1ccccc1F 34a_100009813270_100000211605 [0,1,0,0,0,1|2,0,0]=4 6991 B14R1.159 C=C(Br)CCOCc1ccccc1I 34a_100009813270_100011215278 [0,1,0,0,0,1|2,0,0]=4 6992 B14R1.159 C=C(C)CCNCc1ccccc1Br 2230a_100000689332_100000730704 [0,1,0,0,0,1|2,0,0]=4 6993 B14R1.159 C=C(C)CCNCc1ccccc1Br 34a_100000689332_100000730704 [0,1,0,0,0,1|2,0,0]=4 6994 B14R1.159 C=C(C)CCNCc1ccccc1C 34a_100000174972_100000730704 [0,1,0,0,0,1|2,0,0]=4 6995 B14R1.159 C=C(C)CCNCc1ccccc1Cl 2230a_100000174879_100000730704 [0,1,0,0,0,1|2,0,0]=4 6996 B14R1.159 C=C(C)CCNCc1ccccc1Cl 34a_100000174879_100000730704 [0,1,0,0,0,1|2,0,0]=4 6997 B14R1.159 C=C(C)CCNCc1ccccc1F 34a_100000174869_100000730704 [0,1,0,0,0,1|2,0,0]=4 6998 B14R1.159 C=C(C)CCNCc1ccccc1O 34a_100000185550_100000730704 [0,1,0,0,0,1|2,0,0]=4 6999 B14R1.159 C=C(C)CCOCc1ccccc1Br 34a_100000756307_100000730704 [0,1,0,0,0,1|2,0,0]=4 7000 B14R1.159 C=C(C)CCOCc1ccccc1Br 34a_100000764851_100000184730 [0,1,0,0,0,1|2,0,0]=4 7001 B14R1.159 C=C(C)CCOCc1ccccc1Br 7a_100000756307_100000730704 [0,1,0,0,0,1|2,0,0]=4 7002 B14R1.159 C=C(C)CCOCc1ccccc1C 34a_100000698903_100000730704 [0,1,0,0,0,1|2,0,0]=4 7003 B14R1.159 C=C(C)CCOCc1ccccc1C 34a_100000764851_100000211839 [0,1,0,0,0,1|2,0,0]=4 7004 B14R1.159 C=C(C)CCOCc1ccccc1C 7a_100000698903_100000730704 [0,1,0,0,0,1|2,0,0]=4 7005 B14R1.159 C=C(C)CCOCc1ccccc1Cl 34a_100000210847_100000730704 [0,1,0,0,0,1|2,0,0]=4 7006 B14R1.159 C=C(C)CCOCc1ccccc1Cl 34a_100000764851_100000187162 [0,1,0,0,0,1|2,0,0]=4 7007 B14R1.159 C=C(C)CCOCc1ccccc1Cl 7a_100000210847_100000730704 [0,1,0,0,0,1|2,0,0]=4 7008 B14R1.159 C=C(C)CCOCc1ccccc1F 34a_100000211962_100000730704 [0,1,0,0,0,1|2,0,0]=4 7009 B14R1.159 C=C(C)CCOCc1ccccc1F 34a_100000764851_100000211605 [0,1,0,0,0,1|2,0,0]=4 7010 B14R1.159 C=C(C)CCOCc1ccccc1F 7a_100000211962_100000730704 [0,1,0,0,0,1|2,0,0]=4 7011 B14R1.159 C=C(C)CCOCc1ccccc1I 34a_100000187465_100000730704 [0,1,0,0,0,1|2,0,0]=4 7012 B14R1.159 C=C(C)CCOCc1ccccc1I 34a_100000764851_100011215278 [0,1,0,0,0,1|2,0,0]=4 7013 B14R1.159 C=C(C)CCOCc1ccccc1I 7a_100000187465_100000730704 [0,1,0,0,0,1|2,0,0]=4 7014 B14R1.159 C=C(C)CCOCc1ccccc1N 34a_100000212039_100000730704 [0,1,0,0,0,1|2,0,0]=4 7015 B14R1.159 C=C(C)CCSCc1ccccc1Br 62a_100000184730_100000730704 [0,1,0,0,0,1|2,0,0]=4 7016 B14R1.159 C=C(C)CCSCc1ccccc1Br 62a_100000730704_100000184730 [0,1,0,0,0,1|2,0,0]=4 7017 B14R1.159 C=C(C)CCSCc1ccccc1C 62a_100000211839_100000730704 [0,1,0,0,0,1|2,0,0]=4 7018 B14R1.159 C=C(C)CCSCc1ccccc1C 62a_100000730704_100000211839 [0,1,0,0,0,1|2,0,0]=4 7019 B14R1.159 C=C(C)CCSCc1ccccc1Cl 62a_100000187162_100000730704 [0,1,0,0,0,1|2,0,0]=4 7020 B14R1.159 C=C(C)CCSCc1ccccc1Cl 62a_100000730704_100000187162 [0,1,0,0,0,1|2,0,0]=4 7021 B14R1.159 C=C(C)CCSCc1ccccc1F 62a_100000211605_100000730704 [0,1,0,0,0,1|2,0,0]=4 7022 B14R1.159 C=C(C)CCSCc1ccccc1F 62a_100000730704_100000211605 [0,1,0,0,0,1|2,0,0]=4 7023 B14R1.159 C=C(C)CCSCc1ccccc1I 62a_100000730704_100011216222 [0,1,0,0,0,1|2,0,0]=4 7024 B14R1.159 C=C(C)CCSCc1ccccc1I 62a_100011216222_100000730704 [0,1,0,0,0,1|2,0,0]=4 7025 B14R1.159 C=C(C)CNCCc1ccccc1Br 2230a_100000747383_100000748629 [0,1,0,0,0,1|2,0,0]=4 7026 B14R1.159 C=C(C)CNCCc1ccccc1Br 34a_100000747383_100000748629 [0,1,0,0,0,1|2,0,0]=4 7027 B14R1.159 C=C(C)CNCCc1ccccc1C 2230a_100000685071_100000748629 [0,1,0,0,0,1|2,0,0]=4 7028 B14R1.159 C=C(C)CNCCc1ccccc1C 34a_100000685071_100000748629 [0,1,0,0,0,1|2,0,0]=4 7029 B14R1.159 C=C(C)CNCCc1ccccc1Cl 2230a_100011207228_100000748629 [0,1,0,0,0,1|2,0,0]=4 7030 B14R1.159 C=C(C)CNCCc1ccccc1Cl 34a_100011207228_100000748629 [0,1,0,0,0,1|2,0,0]=4 7031 B14R1.159 C=C(C)CNCCc1ccccc1F 2230a_100000185272_100000748629 [0,1,0,0,0,1|2,0,0]=4 7032 B14R1.159 C=C(C)CNCCc1ccccc1F 34a_100000185272_100000748629 [0,1,0,0,0,1|2,0,0]=4 7033 B14R1.159 C=C(C)CNCCc1ccccc1O 34a_100011207237_100000748629 [0,1,0,0,0,1|2,0,0]=4 7034 B14R1.159 C=C(C)COCCc1ccccc1Br 34a_100000210245_100012161201 [0,1,0,0,0,1|2,0,0]=4 7035 B14R1.159 C=C(C)COCCc1ccccc1Br 34a_100000731337_100000748629 [0,1,0,0,0,1|2,0,0]=4 7036 B14R1.159 C=C(C)COCCc1ccccc1Br 7a_100000731337_100000748629 [0,1,0,0,0,1|2,0,0]=4 7037 B14R1.159 C=C(C)COCCc1ccccc1C 34a_100000210245_100011713688 [0,1,0,0,0,1|2,0,0]=4 7038 B14R1.159 C=C(C)COCCc1ccccc1C 34a_100011220023_100000748629 [0,1,0,0,0,1|2,0,0]=4 7039 B14R1.159 C=C(C)COCCc1ccccc1C 7a_100011220023_100000748629 [0,1,0,0,0,1|2,0,0]=4 7040 B14R1.159 C=C(C)COCCc1ccccc1Cl 34a_100000210245_100011713703 [0,1,0,0,0,1|2,0,0]=4 7041 B14R1.159 C=C(C)COCCc1ccccc1Cl 34a_100011215284_100000748629 [0,1,0,0,0,1|2,0,0]=4 7042 B14R1.159 C=C(C)COCCc1ccccc1Cl 7a_100011215284_100000748629 [0,1,0,0,0,1|2,0,0]=4 7043 B14R1.159 C=C(C)COCCc1ccccc1F 34a_100000210245_100000720011 [0,1,0,0,0,1|2,0,0]=4 7044 B14R1.159 C=C(C)COCCc1ccccc1F 34a_100000753711_100000748629 [0,1,0,0,0,1|2,0,0]=4 7045 B14R1.159 C=C(C)COCCc1ccccc1F 7a_100000753711_100000748629 [0,1,0,0,0,1|2,0,0]=4 7046 B14R1.159 C=C(C)COCCc1ccccc1I 34a_100010255290_100000748629 [0,1,0,0,0,1|2,0,0]=4 7047 B14R1.159 C=C(C)COCCc1ccccc1I 7a_100010255290_100000748629 [0,1,0,0,0,1|2,0,0]=4 7048 B14R1.159 C=C(C)COCCc1ccccc1N 34a_100011215289_100000748629 [0,1,0,0,0,1|2,0,0]=4 7049 B14R1.159 C=C(C)COCCc1ccccc1O 34a_100000210245_100000722297 [0,1,0,0,0,1|2,0,0]=4 7050 B14R1.159 C=C(C)CSCCc1ccccc1Br 62a_100000748629_100012161201 [0,1,0,0,0,1|2,0,0]=4 7051 B14R1.159 C=C(C)CSCCc1ccccc1Br 62a_100012161201_100000211660 [0,1,0,0,0,1|2,0,0]=4 7052 B14R1.159 C=C(C)CSCCc1ccccc1C 62a_100000748629_100011713688 [0,1,0,0,0,1|2,0,0]=4 7053 B14R1.159 C=C(C)CSCCc1ccccc1C 62a_100011713688_100000211660 [0,1,0,0,0,1|2,0,0]=4 7054 B14R1.159 C=C(C)CSCCc1ccccc1Cl 62a_100000748629_100011713703 [0,1,0,0,0,1|2,0,0]=4 7055 B14R1.159 C=C(C)CSCCc1ccccc1Cl 62a_100011713703_100000211660 [0,1,0,0,0,1|2,0,0]=4 7056 B14R1.159 C=C(C)CSCCc1ccccc1F 62a_100000748629_100011713696 [0,1,0,0,0,1|2,0,0]=4 7057 B14R1.159 C=C(C)CSCCc1ccccc1F 62a_100011713696_100000211660 [0,1,0,0,0,1|2,0,0]=4 7058 B14R1.159 C=C(C)CSCCc1ccccc1O 62a_100000722297_100000211660 [0,1,0,0,0,1|2,0,0]=4 7059 B14R1.159 C=C(C)CSCCc1ccccc1O 62a_100000748629_100000722297 [0,1,0,0,0,1|2,0,0]=4 7060 B14R1.159 C=C(F)CNCCc1ccccc1Br 2230a_100000747383_100009893438 [0,1,0,0,0,1|2,0,0]=4 7061 B14R1.159 C=C(F)CNCCc1ccccc1Br 34a_100000747383_100009893438 [0,1,0,0,0,1|2,0,0]=4 7062 B14R1.159 C=C(F)CNCCc1ccccc1C 2230a_100000685071_100009893438 [0,1,0,0,0,1|2,0,0]=4 7063 B14R1.159 C=C(F)CNCCc1ccccc1C 34a_100000685071_100009893438 [0,1,0,0,0,1|2,0,0]=4 7064 B14R1.159 C=C(F)CNCCc1ccccc1Cl 2230a_100011207228_100009893438 [0,1,0,0,0,1|2,0,0]=4 7065 B14R1.159 C=C(F)CNCCc1ccccc1Cl 34a_100011207228_100009893438 [0,1,0,0,0,1|2,0,0]=4 7066 B14R1.159 C=C(F)CNCCc1ccccc1F 2230a_100000185272_100009893438 [0,1,0,0,0,1|2,0,0]=4 7067 B14R1.159 C=C(F)CNCCc1ccccc1F 34a_100000185272_100009893438 [0,1,0,0,0,1|2,0,0]=4 7068 B14R1.159 C=C(F)CNCCc1ccccc1O 34a_100011207237_100009893438 [0,1,0,0,0,1|2,0,0]=4 7069 B14R1.159 C=C(F)COCCc1ccccc1Br 34a_100000731337_100009893438 [0,1,0,0,0,1|2,0,0]=4 7070 B14R1.159 C=C(F)COCCc1ccccc1Br 34a_200010262243_100012161201 [0,1,0,0,0,1|2,0,0]=4 7071 B14R1.159 C=C(F)COCCc1ccccc1Br 7a_100000731337_100000042424 [0,1,0,0,0,1|2,0,0]=4 7072 B14R1.159 C=C(F)COCCc1ccccc1C 34a_100011220023_100009893438 [0,1,0,0,0,1|2,0,0]=4 7073 B14R1.159 C=C(F)COCCc1ccccc1C 34a_200010262243_100011713688 [0,1,0,0,0,1|2,0,0]=4 7074 B14R1.159 C=C(F)COCCc1ccccc1C 7a_100011220023_100000042424 [0,1,0,0,0,1|2,0,0]=4 7075 B14R1.159 C=C(F)COCCc1ccccc1Cl 34a_100011215284_100009893438 [0,1,0,0,0,1|2,0,0]=4 7076 B14R1.159 C=C(F)COCCc1ccccc1Cl 34a_200010262243_100011713703 [0,1,0,0,0,1|2,0,0]=4 7077 B14R1.159 C=C(F)COCCc1ccccc1Cl 7a_100011215284_100000042424 [0,1,0,0,0,1|2,0,0]=4 7078 B14R1.159 C=C(F)COCCc1ccccc1F 34a_100000753711_100009893438 [0,1,0,0,0,1|2,0,0]=4 7079 B14R1.159 C=C(F)COCCc1ccccc1F 34a_200010262243_100000720011 [0,1,0,0,0,1|2,0,0]=4 7080 B14R1.159 C=C(F)COCCc1ccccc1F 7a_100000753711_100000042424 [0,1,0,0,0,1|2,0,0]=4 7081 B14R1.159 C=C(F)COCCc1ccccc1I 34a_100010255290_100009893438 [0,1,0,0,0,1|2,0,0]=4 7082 B14R1.159 C=C(F)COCCc1ccccc1I 7a_100010255290_100000042424 [0,1,0,0,0,1|2,0,0]=4 7083 B14R1.159 C=C(F)COCCc1ccccc1N 34a_100011215289_100009893438 [0,1,0,0,0,1|2,0,0]=4 7084 B14R1.159 C=C(F)COCCc1ccccc1O 34a_200010262243_100000722297 [0,1,0,0,0,1|2,0,0]=4 7085 B14R1.159 C=C(F)CSCCc1ccccc1Br 62a_100000042424_100012161201 [0,1,0,0,0,1|2,0,0]=4 7086 B14R1.159 C=C(F)CSCCc1ccccc1Br 62a_100012161201_100000042424 [0,1,0,0,0,1|2,0,0]=4 7087 B14R1.159 C=C(F)CSCCc1ccccc1C 62a_100000042424_100011713688 [0,1,0,0,0,1|2,0,0]=4 7088 B14R1.159 C=C(F)CSCCc1ccccc1C 62a_100011713688_100000042424 [0,1,0,0,0,1|2,0,0]=4 7089 B14R1.159 C=C(F)CSCCc1ccccc1Cl 62a_100000042424_100011713703 [0,1,0,0,0,1|2,0,0]=4 7090 B14R1.159 C=C(F)CSCCc1ccccc1Cl 62a_100011713703_100000042424 [0,1,0,0,0,1|2,0,0]=4 7091 B14R1.159 C=C(F)CSCCc1ccccc1F 62a_100000042424_100011713696 [0,1,0,0,0,1|2,0,0]=4 7092 B14R1.159 C=C(F)CSCCc1ccccc1F 62a_100011713696_100000042424 [0,1,0,0,0,1|2,0,0]=4 7093 B14R1.159 C=C(F)CSCCc1ccccc1O 62a_100000042424_100000722297 [0,1,0,0,0,1|2,0,0]=4 7094 B14R1.159 C=C(F)CSCCc1ccccc1O 62a_100000722297_100000042424 [0,1,0,0,0,1|2,0,0]=4 7095 B14R1.159 CC(=O)CCCNc1ccccc1Br 34a_100000210017_100000685027 [0,1,0,0,0,1|1,0,0]=3 7096 B14R1.159 CC(=O)CCCNc1ccccc1C 34a_100015192222_100000685027 [0,1,0,0,0,1|1,0,0]=3 7097 B14R1.159 CC(=O)CCCNc1ccccc1Cl 34a_100000185783_100000685027 [0,1,0,0,0,1|1,0,0]=3 7098 B14R1.159 CC(=O)CCCNc1ccccc1F 34a_100000210422_100000685027 [0,1,0,0,0,1|1,0,0]=3 7099 B14R1.159 CC(=O)CCCNc1ccccc1I 34a_100000210053_100000685027 [0,1,0,0,0,1|1,0,0]=3 7100 B14R1.159 CC(=O)CCCNc1ccccc1O 34a_100000185747_100000685027 [0,1,0,0,0,1|1,0,0]=3 7101 B14R1.159 CC(=O)CCCOc1cccc[n+]1[O-] 7a_100000211761_100011215641 [0,1,0,0,0,1|2,0,0]=4 7102 B14R1.159 CC(=O)CCCOc1ccccc1Br 1458a_100000070787_200011259276 [0,1,0,0,0,1|1,0,0]=3 7103 B14R1.159 CC(=O)CCCOc1ccccc1Br 34a_100000181306_100000685027 [0,1,0,0,0,1|1,0,0]=3 7104 B14R1.159 CC(=O)CCCOc1ccccc1Br 7a_100000181306_100011215641 [0,1,0,0,0,1|1,0,0]=3 7105 B14R1.159 CC(=O)CCCOc1ccccc1C 1458a_100000070787_100000742659 [0,1,0,0,0,1|1,0,0]=3 7106 B14R1.159 CC(=O)CCCOc1ccccc1C 1458a_100000735866_200000210301 [0,1,0,0,0,1|1,0,0]=3 7107 B14R1.159 CC(=O)CCCOc1ccccc1C 34a_100000210338_100000685027 [0,1,0,0,0,1|1,0,0]=3 7108 B14R1.159 CC(=O)CCCOc1ccccc1C 7a_100000210338_100011215641 [0,1,0,0,0,1|1,0,0]=3 7109 B14R1.159 CC(=O)CCCOc1ccccc1Cl 1458a_100000747900_200000210301 [0,1,0,0,0,1|1,0,0]=3 7110 B14R1.159 CC(=O)CCCOc1ccccc1Cl 34a_100000210172_100000685027 [0,1,0,0,0,1|1,0,0]=3 7111 B14R1.159 CC(=O)CCCOc1ccccc1Cl 7a_100000210172_100011215641 [0,1,0,0,0,1|1,0,0]=3 7112 B14R1.159 CC(=O)CCCOc1ccccc1F 1458a_100000070787_100011203253 [0,1,0,0,0,1|1,0,0]=3 7113 B14R1.159 CC(=O)CCCOc1ccccc1F 34a_100000210171_100000685027 [0,1,0,0,0,1|1,0,0]=3 7114 B14R1.159 CC(=O)CCCOc1ccccc1F 7a_100000210171_100011215641 [0,1,0,0,0,1|1,0,0]=3 7115 B14R1.159 CC(=O)CCCOc1ccccc1I 34a_100000739446_100000685027 [0,1,0,0,0,1|1,0,0]=3 7116 B14R1.159 CC(=O)CCCOc1ccccc1I 7a_100000739446_100011215641 [0,1,0,0,0,1|1,0,0]=3 7117 B14R1.159 CC(=O)CCCOc1ccccc1N 34a_100000185747_100000685027 [0,1,0,0,0,1|1,0,0]=3 7118 B14R1.159 CC(=O)CCCOc1ccccc1N 7a_100000185747_100011215641 [0,1,0,0,0,1|1,0,0]=3 7119 B14R1.159 CC(=O)CCCOc1cccnc1Br 34a_100000744436_100000685027 [0,1,0,0,0,1|2,0,0]=4 7120 B14R1.159 CC(=O)CCCOc1cccnc1Br 7a_100000744436_100011215641 [0,1,0,0,0,1|2,0,0]=4 7121 B14R1.159 CC(=O)CCCOc1cccnc1C 34a_100000745507_100000685027 [0,1,0,0,0,1|2,0,0]=4 7122 B14R1.159 CC(=O)CCCOc1cccnc1C 7a_100000745507_100011215641 [0,1,0,0,0,1|2,0,0]=4 7123 B14R1.159 CC(=O)CCCOc1cccnc1Cl 34a_100000757616_100000685027 [0,1,0,0,0,1|2,0,0]=4 7124 B14R1.159 CC(=O)CCCOc1cccnc1Cl 7a_100000757616_100011215641 [0,1,0,0,0,1|2,0,0]=4 7125 B14R1.159 CC(=O)CCCOc1cccnc1F 34a_100000061740_100000685027 [0,1,0,0,0,1|2,0,0]=4 7126 B14R1.159 CC(=O)CCCOc1cccnc1F 7a_100000061740_100011215641 [0,1,0,0,0,1|2,0,0]=4 7127 B14R1.159 CC(=O)CCCOc1cccnc1I 34a_100000034122_100000685027 [0,1,0,0,0,1|2,0,0]=4 7128 B14R1.159 CC(=O)CCCOc1cccnc1I 7a_100000034122_100011215641 [0,1,0,0,0,1|2,0,0]=4 7129 B14R1.159 CC(=O)CCCOc1cccnc1N 34a_100000211975_100000685027 [0,1,0,0,0,1|2,0,0]=4 7130 B14R1.159 CC(=O)CCCOc1cccnc1N 7a_100000211975_100011215641 [0,1,0,0,0,1|2,0,0]=4 7131 B14R1.159 CC(=O)CCCOc1cccoc1=O 34a_100000077404_100000685027 [0,1,0,0,0,1|2,0,0]=4 7132 B14R1.159 CC(=O)CCCOc1cccoc1=O 7a_100000077404_100011215641 [0,1,0,0,0,1|2,0,0]=4 7133 B14R1.159 CC(=O)CCCOc1ccncc1Br 34a_100011996408_100000685027 [0,1,0,0,0,1|2,0,0]=4 7134 B14R1.159 CC(=O)CCCOc1ccncc1C 34a_100000694293_100000685027 [0,1,0,0,0,1|2,0,0]=4 7135 B14R1.159 CC(=O)CCCOc1ccncc1Cl 34a_100011997054_100000685027 [0,1,0,0,0,1|2,0,0]=4 7136 B14R1.159 CC(=O)CCCOc1ccncc1F 34a_200000081243_100000685027 [0,1,0,0,0,1|2,0,0]=4 7137 B14R1.159 CC(=O)CCCOc1cnccc1C 34a_100011997053_100000685027 [0,1,0,0,0,1|2,0,0]=4 7138 B14R1.159 CC(=O)CCCOc1cnccc1C 7a_100011997053_100011215641 [0,1,0,0,0,1|2,0,0]=4 7139 B14R1.159 CC(=O)CCCOc1cnccc1Cl 34a_100011996695_100000685027 [0,1,0,0,0,1|2,0,0]=4 7140 B14R1.159 CC(=O)CCCOc1cnccc1I 34a_100000050107_100000685027 [0,1,0,0,0,1|2,0,0]=4 7141 B14R1.159 CC(=O)CCCOc1cnccc1N 34a_100000753702_100000685027 [0,1,0,0,0,1|2,0,0]=4 7142 B14R1.159 CC(=O)CCCOc1coccc1=O 34a_100000060831_100000685027 [0,1,0,0,0,1|2,0,0]=4 7143 B14R1.159 CC(=O)CCCOc1ncccc1Cl 34a_100011290957_100000685027 [0,1,0,0,0,1|2,0,0]=4 7144 B14R1.159 CC(=O)CCCOc1ncccc1F 34a_100011219419_100000685027 [0,1,0,0,0,1|2,0,0]=4 7145 B14R1.159 CC(=O)CCCOc1ncccc1N 34a_100000746358_100000685027 [0,1,0,0,0,1|2,0,0]=4 7146 B14R1.159 CC(=O)CCCSc1c[nH]ccc1=O 62a_100009998708_100011215641 [0,1,0,0,0,1|2,0,0]=4 7147 B14R1.159 CC(=O)CCCSc1c[nH]ccc1=O 62a_100011215641_100009998708 [0,1,0,0,0,1|2,0,0]=4 7148 B14R1.159 CC(=O)CCCSc1c[nH]ccc1=S 62a_100011215641_200012280681 [0,1,0,0,0,1|2,0,0]=4 7149 B14R1.159 CC(=O)CCCSc1c[nH]ccc1=S 62a_200012280681_100011215641 [0,1,0,0,0,1|2,0,0]=4 7150 B14R1.159 CC(=O)CCCSc1cccc[n+]1C 62a_100011215641_100000212160 [0,1,0,0,0,1|2,0,0]=4 7151 B14R1.159 CC(=O)CCCSc1cccc[n+]1[O-] 62a_100011215641_200000042595 [0,1,0,0,0,1|2,0,0]=4 7152 B14R1.159 CC(=O)CCCSc1ccccc1Br 62a_100000695589_100011215641 [0,1,0,0,0,1|1,0,0]=3 7153 B14R1.159 CC(=O)CCCSc1ccccc1Br 62a_100011215641_100000695589 [0,1,0,0,0,1|1,0,0]=3 7154 B14R1.159 CC(=O)CCCSc1ccccc1C 62a_100000210755_100011215641 [0,1,0,0,0,1|1,0,0]=3 7155 B14R1.159 CC(=O)CCCSc1ccccc1C 62a_100011215641_100000210755 [0,1,0,0,0,1|1,0,0]=3 7156 B14R1.159 CC(=O)CCCSc1ccccc1Cl 1458a_100000070787_100000750589 [0,1,0,0,0,1|1,0,0]=3 7157 B14R1.159 CC(=O)CCCSc1ccccc1Cl 62a_100000764095_100011215641 [0,1,0,0,0,1|1,0,0]=3 7158 B14R1.159 CC(=O)CCCSc1ccccc1Cl 62a_100011215641_100000764095 [0,1,0,0,0,1|1,0,0]=3 7159 B14R1.159 CC(=O)CCCSc1ccccc1F 62a_100011215641_100011215700 [0,1,0,0,0,1|1,0,0]=3 7160 B14R1.159 CC(=O)CCCSc1ccccc1F 62a_100011215700_100011215641 [0,1,0,0,0,1|1,0,0]=3 7161 B14R1.159 CC(=O)CCCSc1ccccc1N 62a_100000210017_100011215641 [0,1,0,0,0,1|1,0,0]=3 7162 B14R1.159 CC(=O)CCCSc1ccccc1N 62a_100011215641_100000210017 [0,1,0,0,0,1|1,0,0]=3 7163 B14R1.159 CC(=O)CCCSc1ccccc1O 62a_100000739446_100011215641 [0,1,0,0,0,1|1,0,0]=3 7164 B14R1.159 CC(=O)CCCSc1ccccc1O 62a_100011215641_100000739446 [0,1,0,0,0,1|1,0,0]=3 7165 B14R1.159 CC(=O)CCCSc1cccnc1Br 62a_100010202626_100011215641 [0,1,0,0,0,1|2,0,0]=4 7166 B14R1.159 CC(=O)CCCSc1cccnc1Br 62a_100011215641_100010202626 [0,1,0,0,0,1|2,0,0]=4 7167 B14R1.159 CC(=O)CCCSc1cccnc1C 62a_100000751574_100011215641 [0,1,0,0,0,1|2,0,0]=4 7168 B14R1.159 CC(=O)CCCSc1cccnc1C 62a_100011215641_100000751574 [0,1,0,0,0,1|2,0,0]=4 7169 B14R1.159 CC(=O)CCCSc1cccnc1Cl 62a_100000036424_100011215641 [0,1,0,0,0,1|2,0,0]=4 7170 B14R1.159 CC(=O)CCCSc1cccnc1Cl 62a_100011215641_100000036424 [0,1,0,0,0,1|2,0,0]=4 7171 B14R1.159 CC(=O)CCCSc1cccnc1F 62a_100009816115_100011215641 [0,1,0,0,0,1|2,0,0]=4 7172 B14R1.159 CC(=O)CCCSc1cccnc1F 62a_100011215641_100009816115 [0,1,0,0,0,1|2,0,0]=4 7173 B14R1.159 CC(=O)CCCSc1cccnc1N 62a_100000045569_100011215641 [0,1,0,0,0,1|2,0,0]=4 7174 B14R1.159 CC(=O)CCCSc1cccnc1N 62a_100011215641_100000045569 [0,1,0,0,0,1|2,0,0]=4 7175 B14R1.159 CC(=O)CCCSc1cccnc1O 62a_100000760158_100011215641 [0,1,0,0,0,1|2,0,0]=4 7176 B14R1.159 CC(=O)CCCSc1cccnc1O 62a_100011215641_100000760158 [0,1,0,0,0,1|2,0,0]=4 7177 B14R1.159 CC(=O)CCCSc1ccncc1Br 62a_100000726257_100011215641 [0,1,0,0,0,1|2,0,0]=4 7178 B14R1.159 CC(=O)CCCSc1ccncc1Br 62a_100011215641_100000726257 [0,1,0,0,0,1|2,0,0]=4 7179 B14R1.159 CC(=O)CCCSc1ccncc1C 62a_100000765111_100011215641 [0,1,0,0,0,1|2,0,0]=4 7180 B14R1.159 CC(=O)CCCSc1ccncc1C 62a_100011215641_100000765111 [0,1,0,0,0,1|2,0,0]=4 7181 B14R1.159 CC(=O)CCCSc1ccncc1Cl 62a_100000708259_100011215641 [0,1,0,0,0,1|2,0,0]=4 7182 B14R1.159 CC(=O)CCCSc1ccncc1Cl 62a_100011215641_100000708259 [0,1,0,0,0,1|2,0,0]=4 7183 B14R1.159 CC(=O)CCCSc1ccncc1F 62a_100000047030_100011215641 [0,1,0,0,0,1|2,0,0]=4 7184 B14R1.159 CC(=O)CCCSc1ccncc1F 62a_100011215641_100000047030 [0,1,0,0,0,1|2,0,0]=4 7185 B14R1.159 CC(=O)CCCSc1ccncc1N 62a_100000756074_100011215641 [0,1,0,0,0,1|2,0,0]=4 7186 B14R1.159 CC(=O)CCCSc1ccncc1N 62a_100011215641_100000756074 [0,1,0,0,0,1|2,0,0]=4 7187 B14R1.159 CC(=O)CCCSc1ccncc1O 62a_100009817591_100011215641 [0,1,0,0,0,1|2,0,0]=4 7188 B14R1.159 CC(=O)CCCSc1ccncc1O 62a_100011215641_100009817591 [0,1,0,0,0,1|2,0,0]=4 7189 B14R1.159 CC(=O)CCCSc1cnccc1Br 62a_100010138639_100011215641 [0,1,0,0,0,1|2,0,0]=4 7190 B14R1.159 CC(=O)CCCSc1cnccc1Br 62a_100011215641_100010138639 [0,1,0,0,0,1|2,0,0]=4 7191 B14R1.159 CC(=O)CCCSc1cnccc1C 62a_100000761580_100011215641 [0,1,0,0,0,1|2,0,0]=4 7192 B14R1.159 CC(=O)CCCSc1cnccc1C 62a_100011215641_100000761580 [0,1,0,0,0,1|2,0,0]=4 7193 B14R1.159 CC(=O)CCCSc1cnccc1Cl 62a_100009995489_100011215641 [0,1,0,0,0,1|2,0,0]=4 7194 B14R1.159 CC(=O)CCCSc1cnccc1Cl 62a_100011215641_100009995489 [0,1,0,0,0,1|2,0,0]=4 7195 B14R1.159 CC(=O)CCCSc1cnccc1F 62a_100009820683_100011215641 [0,1,0,0,0,1|2,0,0]=4 7196 B14R1.159 CC(=O)CCCSc1cnccc1F 62a_100011215641_100009820683 [0,1,0,0,0,1|2,0,0]=4 7197 B14R1.159 CC(=O)CCCSc1cnccc1N 62a_100000047001_100011215641 [0,1,0,0,0,1|2,0,0]=4 7198 B14R1.159 CC(=O)CCCSc1cnccc1N 62a_100011215641_100000047001 [0,1,0,0,0,1|2,0,0]=4 7199 B14R1.159 CC(=O)CCCSc1ncccc1Br 62a_100000696092_100011215641 [0,1,0,0,0,1|2,0,0]=4 7200 B14R1.159 CC(=O)CCCSc1ncccc1Br 62a_100011215641_100000696092 [0,1,0,0,0,1|2,0,0]=4 7201 B14R1.159 CC(=O)CCCSc1ncccc1C 62a_100000751373_100011215641 [0,1,0,0,0,1|2,0,0]=4 7202 B14R1.159 CC(=O)CCCSc1ncccc1C 62a_100011215641_100000751373 [0,1,0,0,0,1|2,0,0]=4 7203 B14R1.159 CC(=O)CCCSc1ncccc1Cl 62a_100011215641_100011356963 [0,1,0,0,0,1|2,0,0]=4 7204 B14R1.159 CC(=O)CCCSc1ncccc1Cl 62a_100011356963_100011215641 [0,1,0,0,0,1|2,0,0]=4 7205 B14R1.159 CC(=O)CCCSc1ncccc1F 62a_100000685392_100011215641 [0,1,0,0,0,1|2,0,0]=4 7206 B14R1.159 CC(=O)CCCSc1ncccc1F 62a_100011215641_100000685392 [0,1,0,0,0,1|2,0,0]=4 7207 B14R1.159 CC(=O)CCCSc1ncccc1N 62a_100000688686_100011215641 [0,1,0,0,0,1|2,0,0]=4 7208 B14R1.159 CC(=O)CCCSc1ncccc1N 62a_100011215641_100000688686 [0,1,0,0,0,1|2,0,0]=4 7209 B14R1.159 CC(=O)CCCSc1ncccc1O 62a_100000034122_100011215641 [0,1,0,0,0,1|2,0,0]=4 7210 B14R1.159 CC(=O)CCCSc1ncccc1O 62a_100011215641_100000034122 [0,1,0,0,0,1|2,0,0]=4 7211 B14R1.159 CC(=O)CCOCc1ccccc1Br 34a_100000759926_100000184730 [0,1,0,0,0,1|1,0,0]=3 7212 B14R1.159 CC(=O)CCOCc1ccccc1Br 7a_100000756307_100000053229 [0,1,0,0,0,1|1,0,0]=3 7213 B14R1.159 CC(=O)CCOCc1ccccc1Br 7a_100000759926_100000184730 [0,1,0,0,0,1|1,0,0]=3 7214 B14R1.159 CC(=O)CCOCc1ccccc1C 34a_100000759926_100000211839 [0,1,0,0,0,1|1,0,0]=3 7215 B14R1.159 CC(=O)CCOCc1ccccc1C 7a_100000698903_100000053229 [0,1,0,0,0,1|1,0,0]=3 7216 B14R1.159 CC(=O)CCOCc1ccccc1C 7a_100000759926_100000211839 [0,1,0,0,0,1|1,0,0]=3 7217 B14R1.159 CC(=O)CCOCc1ccccc1Cl 34a_100000759926_100000187162 [0,1,0,0,0,1|1,0,0]=3 7218 B14R1.159 CC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000053229 [0,1,0,0,0,1|1,0,0]=3 7219 B14R1.159 CC(=O)CCOCc1ccccc1Cl 7a_100000759926_100000187162 [0,1,0,0,0,1|1,0,0]=3 7220 B14R1.159 CC(=O)CCOCc1ccccc1F 34a_100000759926_100000211605 [0,1,0,0,0,1|1,0,0]=3 7221 B14R1.159 CC(=O)CCOCc1ccccc1F 7a_100000211962_100000053229 [0,1,0,0,0,1|1,0,0]=3 7222 B14R1.159 CC(=O)CCOCc1ccccc1F 7a_100000759926_100000211605 [0,1,0,0,0,1|1,0,0]=3 7223 B14R1.159 CC(=O)CCOCc1ccccc1I 34a_100000759926_100011215278 [0,1,0,0,0,1|1,0,0]=3 7224 B14R1.159 CC(=O)CCOCc1ccccc1I 7a_100000187465_100000053229 [0,1,0,0,0,1|1,0,0]=3 7225 B14R1.159 CC(=O)CCOCc1ccccc1I 7a_100000759926_100011215278 [0,1,0,0,0,1|1,0,0]=3 7226 B14R1.159 CC(=O)CCOCc1cccnc1Br 34a_100000759926_100010140945 [0,1,0,0,0,1|2,0,0]=4 7227 B14R1.159 CC(=O)CCOCc1cccnc1Br 7a_100000719692_100000053229 [0,1,0,0,0,1|2,0,0]=4 7228 B14R1.159 CC(=O)CCOCc1cccnc1Br 7a_100000759926_100010140945 [0,1,0,0,0,1|2,0,0]=4 7229 B14R1.159 CC(=O)CCOCc1cccnc1C 34a_100000759926_100000732876 [0,1,0,0,0,1|2,0,0]=4 7230 B14R1.159 CC(=O)CCOCc1cccnc1C 7a_100000729262_100000053229 [0,1,0,0,0,1|2,0,0]=4 7231 B14R1.159 CC(=O)CCOCc1cccnc1C 7a_100000759926_100000732876 [0,1,0,0,0,1|2,0,0]=4 7232 B14R1.159 CC(=O)CCOCc1cccnc1Cl 34a_100000759926_100000045678 [0,1,0,0,0,1|2,0,0]=4 7233 B14R1.159 CC(=O)CCOCc1cccnc1Cl 7a_100000748726_100000053229 [0,1,0,0,0,1|2,0,0]=4 7234 B14R1.159 CC(=O)CCOCc1cccnc1Cl 7a_100000759926_100000045678 [0,1,0,0,0,1|2,0,0]=4 7235 B14R1.159 CC(=O)CCOCc1cccnc1F 34a_100000759926_100000099810 [0,1,0,0,0,1|2,0,0]=4 7236 B14R1.159 CC(=O)CCOCc1cccnc1F 7a_100000079888_100000053229 [0,1,0,0,0,1|2,0,0]=4 7237 B14R1.159 CC(=O)CCOCc1cccnc1F 7a_100000759926_100000099810 [0,1,0,0,0,1|2,0,0]=4 7238 B14R1.159 CC(=O)CCOCc1ccncc1C 34a_100000759926_100020672809 [0,1,0,0,0,1|2,0,0]=4 7239 B14R1.159 CC(=O)CCOCc1ccncc1C 7a_100000759926_100020672808 [0,1,0,0,0,1|2,0,0]=4 7240 B14R1.159 CC(=O)CCOCc1ccncc1Cl 7a_100000759926_100000763264 [0,1,0,0,0,1|2,0,0]=4 7241 B14R1.159 CC(=O)CCOCc1cnccc1C 34a_100000759926_100000690890 [0,1,0,0,0,1|2,0,0]=4 7242 B14R1.159 CC(=O)CCOCc1cnccc1C 7a_100000759926_100000690890 [0,1,0,0,0,1|2,0,0]=4 7243 B14R1.159 CC(=O)CCOCc1ncccc1Br 34a_100000759926_100025702911 [0,1,0,0,0,1|2,0,0]=4 7244 B14R1.159 CC(=O)CCOCc1ncccc1Br 7a_100000759926_100025702911 [0,1,0,0,0,1|2,0,0]=4 7245 B14R1.159 CC(=O)CCOCc1ncccc1C 34a_100000759926_100000696600 [0,1,0,0,0,1|2,0,0]=4 7246 B14R1.159 CC(=O)CCOCc1ncccc1C 7a_100000759926_100000696600 [0,1,0,0,0,1|2,0,0]=4 7247 B14R1.159 CC(=O)CCOCc1ncccc1Cl 7a_100000759926_100000099807 [0,1,0,0,0,1|2,0,0]=4 7248 B14R1.159 CC(=O)CCOCc1ncccc1F 34a_100000759926_100000104219 [0,1,0,0,0,1|2,0,0]=4 7249 B14R1.159 CC(=O)CCOCc1ncccc1F 7a_100000759926_100000104219 [0,1,0,0,0,1|2,0,0]=4 7250 B14R1.159 CC(=O)CCOCc1ncccc1O 34a_100000759926_200020655725 [0,1,0,0,0,1|2,0,0]=4 7251 B14R1.159 CC(=O)CCOCc1ncccc1O 7a_100000759926_200020655725 [0,1,0,0,0,1|2,0,0]=4 7252 B14R1.159 CC(=O)CCSCc1ccccc1Br 62a_100000053229_100000184730 [0,1,0,0,0,1|1,0,0]=3 7253 B14R1.159 CC(=O)CCSCc1ccccc1Br 62a_100000184730_100000053229 [0,1,0,0,0,1|1,0,0]=3 7254 B14R1.159 CC(=O)CCSCc1ccccc1C 62a_100000053229_100000211839 [0,1,0,0,0,1|1,0,0]=3 7255 B14R1.159 CC(=O)CCSCc1ccccc1C 62a_100000211839_100000053229 [0,1,0,0,0,1|1,0,0]=3 7256 B14R1.159 CC(=O)CCSCc1ccccc1Cl 62a_100000053229_100000187162 [0,1,0,0,0,1|1,0,0]=3 7257 B14R1.159 CC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000053229 [0,1,0,0,0,1|1,0,0]=3 7258 B14R1.159 CC(=O)CCSCc1ccccc1F 62a_100000053229_100000211605 [0,1,0,0,0,1|1,0,0]=3 7259 B14R1.159 CC(=O)CCSCc1ccccc1F 62a_100000211605_100000053229 [0,1,0,0,0,1|1,0,0]=3 7260 B14R1.159 CC(=O)CCSCc1ccccc1I 62a_100000053229_100011216222 [0,1,0,0,0,1|1,0,0]=3 7261 B14R1.159 CC(=O)CCSCc1ccccc1I 62a_100011216222_100000053229 [0,1,0,0,0,1|1,0,0]=3 7262 B14R1.159 CC(=O)CCSCc1cccnc1Br 62a_100000053229_100010140945 [0,1,0,0,0,1|2,0,0]=4 7263 B14R1.159 CC(=O)CCSCc1cccnc1Br 62a_100010140945_100000053229 [0,1,0,0,0,1|2,0,0]=4 7264 B14R1.159 CC(=O)CCSCc1cccnc1C 62a_100000053229_100000732876 [0,1,0,0,0,1|2,0,0]=4 7265 B14R1.159 CC(=O)CCSCc1cccnc1C 62a_100000732876_100000053229 [0,1,0,0,0,1|2,0,0]=4 7266 B14R1.159 CC(=O)CCSCc1cccnc1Cl 62a_100000045678_100000053229 [0,1,0,0,0,1|2,0,0]=4 7267 B14R1.159 CC(=O)CCSCc1cccnc1Cl 62a_100000053229_100000045678 [0,1,0,0,0,1|2,0,0]=4 7268 B14R1.159 CC(=O)CCSCc1cccnc1F 62a_100000053229_100000099810 [0,1,0,0,0,1|2,0,0]=4 7269 B14R1.159 CC(=O)CCSCc1cccnc1F 62a_100000099810_100000053229 [0,1,0,0,0,1|2,0,0]=4 7270 B14R1.159 CC(=O)CCSCc1ccncc1C 62a_100000053229_100020672808 [0,1,0,0,0,1|2,0,0]=4 7271 B14R1.159 CC(=O)CCSCc1ccncc1C 62a_100020672808_100000053229 [0,1,0,0,0,1|2,0,0]=4 7272 B14R1.159 CC(=O)CCSCc1ccncc1Cl 62a_100000053229_100000763264 [0,1,0,0,0,1|2,0,0]=4 7273 B14R1.159 CC(=O)CCSCc1ccncc1Cl 62a_100000763264_100000053229 [0,1,0,0,0,1|2,0,0]=4 7274 B14R1.159 CC(=O)CCSCc1cnccc1C 62a_100000053229_100000690890 [0,1,0,0,0,1|2,0,0]=4 7275 B14R1.159 CC(=O)CCSCc1cnccc1C 62a_100000690890_100000053229 [0,1,0,0,0,1|2,0,0]=4 7276 B14R1.159 CC(=O)CCSCc1ncccc1Br 62a_100000053229_100025702911 [0,1,0,0,0,1|2,0,0]=4 7277 B14R1.159 CC(=O)CCSCc1ncccc1Br 62a_100025702911_100000053229 [0,1,0,0,0,1|2,0,0]=4 7278 B14R1.159 CC(=O)CCSCc1ncccc1C 62a_100000053229_100000696600 [0,1,0,0,0,1|2,0,0]=4 7279 B14R1.159 CC(=O)CCSCc1ncccc1C 62a_100000696600_100000053229 [0,1,0,0,0,1|2,0,0]=4 7280 B14R1.159 CC(=O)CCSCc1ncccc1Cl 62a_100000053229_100000099807 [0,1,0,0,0,1|2,0,0]=4 7281 B14R1.159 CC(=O)CCSCc1ncccc1Cl 62a_100000099807_100000053229 [0,1,0,0,0,1|2,0,0]=4 7282 B14R1.159 CC(=O)CCSCc1ncccc1F 62a_100000053229_100000104219 [0,1,0,0,0,1|2,0,0]=4 7283 B14R1.159 CC(=O)CCSCc1ncccc1F 62a_100000104219_100000053229 [0,1,0,0,0,1|2,0,0]=4 7284 B14R1.159 CC(=O)CCSCc1ncccc1O 62a_100000053229_200020655725 [0,1,0,0,0,1|2,0,0]=4 7285 B14R1.159 CC(=O)CCSCc1ncccc1O 62a_200020655725_100000053229 [0,1,0,0,0,1|2,0,0]=4 7286 B14R1.159 CC(=O)COCCc1ccccc1Br 34a_100000211253_100012161201 [0,1,0,0,0,1|1,0,0]=3 7287 B14R1.159 CC(=O)COCCc1ccccc1C 34a_100000211253_100011713688 [0,1,0,0,0,1|1,0,0]=3 7288 B14R1.159 CC(=O)COCCc1ccccc1Cl 34a_100000211253_100011713703 [0,1,0,0,0,1|1,0,0]=3 7289 B14R1.159 CC(=O)COCCc1ccccc1F 34a_100000211253_100000720011 [0,1,0,0,0,1|1,0,0]=3 7290 B14R1.159 CC(=O)COCCc1ccccc1O 34a_100000211253_100000722297 [0,1,0,0,0,1|1,0,0]=3 7291 B14R1.159 CC(=O)NCCCc1ccccc1F 11a_100000724733_100015343762 [0,1,0,0,0,1|1,0,0]=3 7292 B14R1.159 CC(=O)NCCCc1ccccc1F 1626a_100000724733_100015343762 [0,1,0,0,0,1|1,0,0]=3 7293 B14R1.159 CC(=O)NCCCc1ccccc1F 240690a_100000724733_100015343762 [0,1,0,0,0,1|1,0,0]=3 7294 B14R1.159 CC(=O)NCCCc1ccccc1F 527a_100000724733_100103153847 [0,1,0,0,0,1|1,0,0]=3 7295 B14R1.159 CC(=O)NCCOc1ccccc1Br 11a_100000744007_100015343762 [0,1,0,0,0,1|2,0,0]=4 7296 B14R1.159 CC(=O)NCCOc1ccccc1Br 1626a_100000744007_100015343762 [0,1,0,0,0,1|2,0,0]=4 7297 B14R1.159 CC(=O)NCCOc1ccccc1Br 240690a_100000744007_100015343762 [0,1,0,0,0,1|2,0,0]=4 7298 B14R1.159 CC(=O)NCCOc1ccccc1Br 527a_100000744007_100103153847 [0,1,0,0,0,1|2,0,0]=4 7299 B14R1.159 CC(=O)NCCOc1ccccc1Br 7a_100000181306_100000189650 [0,1,0,0,0,1|2,0,0]=4 7300 B14R1.159 CC(=O)NCCOc1ccccc1C 11a_100000743344_100015343762 [0,1,0,0,0,1|2,0,0]=4 7301 B14R1.159 CC(=O)NCCOc1ccccc1C 1626a_100000743344_100015343762 [0,1,0,0,0,1|2,0,0]=4 7302 B14R1.159 CC(=O)NCCOc1ccccc1C 240690a_100000743344_100015343762 [0,1,0,0,0,1|2,0,0]=4 7303 B14R1.159 CC(=O)NCCOc1ccccc1C 527a_100000743344_100103153847 [0,1,0,0,0,1|2,0,0]=4 7304 B14R1.159 CC(=O)NCCOc1ccccc1C 7a_100000210338_100000189650 [0,1,0,0,0,1|2,0,0]=4 7305 B14R1.159 CC(=O)NCCOc1ccccc1Cl 11a_100000174932_100015343762 [0,1,0,0,0,1|2,0,0]=4 7306 B14R1.159 CC(=O)NCCOc1ccccc1Cl 1626a_100000174932_100015343762 [0,1,0,0,0,1|2,0,0]=4 7307 B14R1.159 CC(=O)NCCOc1ccccc1Cl 240690a_100000174932_100015343762 [0,1,0,0,0,1|2,0,0]=4 7308 B14R1.159 CC(=O)NCCOc1ccccc1Cl 527a_100000174932_100103153847 [0,1,0,0,0,1|2,0,0]=4 7309 B14R1.159 CC(=O)NCCOc1ccccc1Cl 7a_100000210172_100000189650 [0,1,0,0,0,1|2,0,0]=4 7310 B14R1.159 CC(=O)NCCOc1ccccc1F 11a_100000683764_100015343762 [0,1,0,0,0,1|2,0,0]=4 7311 B14R1.159 CC(=O)NCCOc1ccccc1F 1626a_100000683764_100015343762 [0,1,0,0,0,1|2,0,0]=4 7312 B14R1.159 CC(=O)NCCOc1ccccc1F 240690a_100000683764_100015343762 [0,1,0,0,0,1|2,0,0]=4 7313 B14R1.159 CC(=O)NCCOc1ccccc1F 527a_100000683764_100103153847 [0,1,0,0,0,1|2,0,0]=4 7314 B14R1.159 CC(=O)NCCOc1ccccc1F 7a_100000210171_100000189650 [0,1,0,0,0,1|2,0,0]=4 7315 B14R1.159 CC(=O)NCCOc1ccccc1I 7a_100000739446_100000189650 [0,1,0,0,0,1|2,0,0]=4 7316 B14R1.159 CC(=O)NCCOc1ccccc1N 7a_100000185747_100000189650 [0,1,0,0,0,1|2,0,0]=4 7317 B14R1.159 CC(=O)NCCSc1ccccc1Br 62a_100000189650_100000695589 [0,1,0,0,0,1|2,0,0]=4 7318 B14R1.159 CC(=O)NCCSc1ccccc1Br 62a_100000695589_100000189650 [0,1,0,0,0,1|2,0,0]=4 7319 B14R1.159 CC(=O)NCCSc1ccccc1C 62a_100000189650_100000210755 [0,1,0,0,0,1|2,0,0]=4 7320 B14R1.159 CC(=O)NCCSc1ccccc1C 62a_100000210755_100000189650 [0,1,0,0,0,1|2,0,0]=4 7321 B14R1.159 CC(=O)NCCSc1ccccc1Cl 62a_100000189650_100000764095 [0,1,0,0,0,1|2,0,0]=4 7322 B14R1.159 CC(=O)NCCSc1ccccc1Cl 62a_100000764095_100000189650 [0,1,0,0,0,1|2,0,0]=4 7323 B14R1.159 CC(=O)NCCSc1ccccc1F 62a_100000189650_100011215700 [0,1,0,0,0,1|2,0,0]=4 7324 B14R1.159 CC(=O)NCCSc1ccccc1F 62a_100011215700_100000189650 [0,1,0,0,0,1|2,0,0]=4 7325 B14R1.159 CC(=O)NCCSc1ccccc1N 62a_100000189650_100000210017 [0,1,0,0,0,1|2,0,0]=4 7326 B14R1.159 CC(=O)NCCSc1ccccc1N 62a_100000210017_100000189650 [0,1,0,0,0,1|2,0,0]=4 7327 B14R1.159 CC(=O)NCCSc1ccccc1O 62a_100000189650_100000739446 [0,1,0,0,0,1|2,0,0]=4 7328 B14R1.159 CC(=O)NCCSc1ccccc1O 62a_100000739446_100000189650 [0,1,0,0,0,1|2,0,0]=4 7329 B14R1.159 CC(=O)OCCNc1ccccc1Br 34a_100000210017_100009814007 [0,1,0,0,0,1|2,0,0]=4 7330 B14R1.159 CC(=O)OCCNc1ccccc1C 34a_100015192222_100009814007 [0,1,0,0,0,1|2,0,0]=4 7331 B14R1.159 CC(=O)OCCNc1ccccc1Cl 34a_100000185783_100009814007 [0,1,0,0,0,1|2,0,0]=4 7332 B14R1.159 CC(=O)OCCNc1ccccc1F 34a_100000210422_100009814007 [0,1,0,0,0,1|2,0,0]=4 7333 B14R1.159 CC(=O)OCCNc1ccccc1I 34a_100000210053_100009814007 [0,1,0,0,0,1|2,0,0]=4 7334 B14R1.159 CC(=O)OCCNc1ccccc1O 34a_100000185747_100009814007 [0,1,0,0,0,1|2,0,0]=4 7335 B14R1.159 CC(=O)OCCOc1ccccc1Br 34a_100000181306_100009814007 [0,1,0,0,0,1|2,0,0]=4 7336 B14R1.159 CC(=O)OCCOc1ccccc1Br 7a_100000181306_100009814007 [0,1,0,0,0,1|2,0,0]=4 7337 B14R1.159 CC(=O)OCCOc1ccccc1C 34a_100000210338_100009814007 [0,1,0,0,0,1|2,0,0]=4 7338 B14R1.159 CC(=O)OCCOc1ccccc1C 7a_100000210338_100009814007 [0,1,0,0,0,1|2,0,0]=4 7339 B14R1.159 CC(=O)OCCOc1ccccc1Cl 34a_100000210172_100009814007 [0,1,0,0,0,1|2,0,0]=4 7340 B14R1.159 CC(=O)OCCOc1ccccc1Cl 7a_100000210172_100009814007 [0,1,0,0,0,1|2,0,0]=4 7341 B14R1.159 CC(=O)OCCOc1ccccc1F 34a_100000210171_100009814007 [0,1,0,0,0,1|2,0,0]=4 7342 B14R1.159 CC(=O)OCCOc1ccccc1F 7a_100000210171_100009814007 [0,1,0,0,0,1|2,0,0]=4 7343 B14R1.159 CC(=O)OCCOc1ccccc1I 34a_100000739446_100009814007 [0,1,0,0,0,1|2,0,0]=4 7344 B14R1.159 CC(=O)OCCOc1ccccc1I 7a_100000739446_100009814007 [0,1,0,0,0,1|2,0,0]=4 7345 B14R1.159 CC(=O)OCCOc1ccccc1N 34a_100000185747_100009814007 [0,1,0,0,0,1|2,0,0]=4 7346 B14R1.159 CC(=O)OCCOc1ccccc1N 7a_100000185747_100009814007 [0,1,0,0,0,1|2,0,0]=4 7347 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100000695589_100009814007 [0,1,0,0,0,1|2,0,0]=4 7348 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100009814007_100000695589 [0,1,0,0,0,1|2,0,0]=4 7349 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100000210755_100009814007 [0,1,0,0,0,1|2,0,0]=4 7350 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100009814007_100000210755 [0,1,0,0,0,1|2,0,0]=4 7351 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100000764095_100009814007 [0,1,0,0,0,1|2,0,0]=4 7352 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100009814007_100000764095 [0,1,0,0,0,1|2,0,0]=4 7353 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100009814007_100011215700 [0,1,0,0,0,1|2,0,0]=4 7354 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100011215700_100009814007 [0,1,0,0,0,1|2,0,0]=4 7355 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100000210017_100009814007 [0,1,0,0,0,1|2,0,0]=4 7356 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100009814007_100000210017 [0,1,0,0,0,1|2,0,0]=4 7357 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100000739446_100009814007 [0,1,0,0,0,1|2,0,0]=4 7358 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100009814007_100000739446 [0,1,0,0,0,1|2,0,0]=4 7359 B14R1.159 CC(=O)OCNCc1ccccc1Br 34a_100000689332_100009813279 [0,1,0,0,0,1|2,0,0]=4 7360 B14R1.159 CC(=O)OCNCc1ccccc1C 34a_100000174972_100009813279 [0,1,0,0,0,1|2,0,0]=4 7361 B14R1.159 CC(=O)OCNCc1ccccc1Cl 34a_100000174879_100009813279 [0,1,0,0,0,1|2,0,0]=4 7362 B14R1.159 CC(=O)OCNCc1ccccc1F 34a_100000174869_100009813279 [0,1,0,0,0,1|2,0,0]=4 7363 B14R1.159 CC(=O)OCNCc1ccccc1O 34a_100000185550_100009813279 [0,1,0,0,0,1|2,0,0]=4 7364 B14R1.159 CC(=O)OCOCc1ccccc1Br 34a_100000756307_100009813279 [0,1,0,0,0,1|2,0,0]=4 7365 B14R1.159 CC(=O)OCOCc1ccccc1C 34a_100000698903_100009813279 [0,1,0,0,0,1|2,0,0]=4 7366 B14R1.159 CC(=O)OCOCc1ccccc1Cl 34a_100000210847_100009813279 [0,1,0,0,0,1|2,0,0]=4 7367 B14R1.159 CC(=O)OCOCc1ccccc1F 34a_100000211962_100009813279 [0,1,0,0,0,1|2,0,0]=4 7368 B14R1.159 CC(=O)OCOCc1ccccc1I 34a_100000187465_100009813279 [0,1,0,0,0,1|2,0,0]=4 7369 B14R1.159 CC(=O)OCOCc1ccccc1N 34a_100000212039_100009813279 [0,1,0,0,0,1|2,0,0]=4 7370 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000076356_100000184730 [0,1,0,0,0,1|2,0,0]=4 7371 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000184730_100000076356 [0,1,0,0,0,1|2,0,0]=4 7372 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000076356_100000211839 [0,1,0,0,0,1|2,0,0]=4 7373 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000211839_100000076356 [0,1,0,0,0,1|2,0,0]=4 7374 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000076356_100000187162 [0,1,0,0,0,1|2,0,0]=4 7375 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000076356 [0,1,0,0,0,1|2,0,0]=4 7376 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000076356_100000211605 [0,1,0,0,0,1|2,0,0]=4 7377 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000211605_100000076356 [0,1,0,0,0,1|2,0,0]=4 7378 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100000076356_100011216222 [0,1,0,0,0,1|2,0,0]=4 7379 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100011216222_100000076356 [0,1,0,0,0,1|2,0,0]=4 7380 B14R1.159 CC(O)CCCNc1ccccc1Br 34a_100000210017_200000718107 [0,1,0,0,0,1|1,0,1]=4 7381 B14R1.159 CC(O)CCCNc1ccccc1Cl 34a_100000185783_200000718107 [0,1,0,0,0,1|1,0,1]=4 7382 B14R1.159 CC(O)CCCNc1ccccc1F 34a_100000210422_200000718107 [0,1,0,0,0,1|1,0,1]=4 7383 B14R1.159 CC(O)CCCNc1ccccc1I 34a_100000210053_200000718107 [0,1,0,0,0,1|1,0,1]=4 7384 B14R1.159 CC(O)CCCNc1ccccc1O 34a_100000185747_200000718107 [0,1,0,0,0,1|1,0,1]=4 7385 B14R1.159 CC(O)CCCOc1ccccc1Br 34a_100000181306_200000718107 [0,1,0,0,0,1|1,0,1]=4 7386 B14R1.159 CC(O)CCCOc1ccccc1Br 7a_100000181306_200000718107 [0,1,0,0,0,1|1,0,1]=4 7387 B14R1.159 CC(O)CCCOc1ccccc1Cl 34a_100000210172_200000718107 [0,1,0,0,0,1|1,0,1]=4 7388 B14R1.159 CC(O)CCCOc1ccccc1Cl 7a_100000210172_200000718107 [0,1,0,0,0,1|1,0,1]=4 7389 B14R1.159 CC(O)CCCOc1ccccc1F 34a_100000210171_200000718107 [0,1,0,0,0,1|1,0,1]=4 7390 B14R1.159 CC(O)CCCOc1ccccc1F 7a_100000210171_200000718107 [0,1,0,0,0,1|1,0,1]=4 7391 B14R1.159 CC(O)CCCOc1ccccc1I 34a_100000739446_200000718107 [0,1,0,0,0,1|1,0,1]=4 7392 B14R1.159 CC(O)CCCOc1ccccc1I 7a_100000739446_200000718107 [0,1,0,0,0,1|1,0,1]=4 7393 B14R1.159 CC(O)CCCOc1ccccc1N 34a_100000185747_200000718107 [0,1,0,0,0,1|1,0,1]=4 7394 B14R1.159 CC(O)CCCOc1ccccc1N 7a_100000185747_200000718107 [0,1,0,0,0,1|1,0,1]=4 7395 B14R1.159 CC(O)CCCSc1ccccc1Br 62a_100000695589_200000718107 [0,1,0,0,0,1|1,0,1]=4 7396 B14R1.159 CC(O)CCCSc1ccccc1Br 62a_200000718107_100000695589 [0,1,0,0,0,1|1,0,1]=4 7397 B14R1.159 CC(O)CCCSc1ccccc1Cl 62a_100000764095_200000718107 [0,1,0,0,0,1|1,0,1]=4 7398 B14R1.159 CC(O)CCCSc1ccccc1Cl 62a_200000718107_100000764095 [0,1,0,0,0,1|1,0,1]=4 7399 B14R1.159 CC(O)CCCSc1ccccc1F 62a_100011215700_200000718107 [0,1,0,0,0,1|1,0,1]=4 7400 B14R1.159 CC(O)CCCSc1ccccc1F 62a_200000718107_100011215700 [0,1,0,0,0,1|1,0,1]=4 7401 B14R1.159 CC(O)CCCSc1ccccc1N 62a_100000210017_200000718107 [0,1,0,0,0,1|1,0,1]=4 7402 B14R1.159 CC(O)CCCSc1ccccc1N 62a_200000718107_100000210017 [0,1,0,0,0,1|1,0,1]=4 7403 B14R1.159 CC(O)CCCSc1ccccc1O 62a_100000739446_200000718107 [0,1,0,0,0,1|1,0,1]=4 7404 B14R1.159 CC(O)CCCSc1ccccc1O 62a_200000718107_100000739446 [0,1,0,0,0,1|1,0,1]=4 7405 B14R1.159 CC(O)CCNCc1ccccc1Br 207a_200000755665_100000211189 [0,1,0,0,0,1|1,0,1]=4 7406 B14R1.159 CC(O)CCNCc1ccccc1Br 2230a_100000689332_100012276601 [0,1,0,0,0,1|1,0,1]=4 7407 B14R1.159 CC(O)CCNCc1ccccc1Br 2230a_200000755665_100000184730 [0,1,0,0,0,1|1,0,1]=4 7408 B14R1.159 CC(O)CCNCc1ccccc1Br 270004a_200000755665_100000211189 [0,1,0,0,0,1|1,0,1]=4 7409 B14R1.159 CC(O)CCNCc1ccccc1Br 34a_100000689332_100012276601 [0,1,0,0,0,1|1,0,1]=4 7410 B14R1.159 CC(O)CCNCc1ccccc1Cl 207a_200000755665_100000210073 [0,1,0,0,0,1|1,0,1]=4 7411 B14R1.159 CC(O)CCNCc1ccccc1Cl 2230a_100000174879_100012276601 [0,1,0,0,0,1|1,0,1]=4 7412 B14R1.159 CC(O)CCNCc1ccccc1Cl 2230a_200000755665_100000187162 [0,1,0,0,0,1|1,0,1]=4 7413 B14R1.159 CC(O)CCNCc1ccccc1Cl 270004a_200000755665_100000210073 [0,1,0,0,0,1|1,0,1]=4 7414 B14R1.159 CC(O)CCNCc1ccccc1Cl 34a_100000174879_100012276601 [0,1,0,0,0,1|1,0,1]=4 7415 B14R1.159 CC(O)CCNCc1ccccc1F 207a_200000755665_100000210811 [0,1,0,0,0,1|1,0,1]=4 7416 B14R1.159 CC(O)CCNCc1ccccc1F 2230a_200000755665_100000211605 [0,1,0,0,0,1|1,0,1]=4 7417 B14R1.159 CC(O)CCNCc1ccccc1F 270004a_200000755665_100000210811 [0,1,0,0,0,1|1,0,1]=4 7418 B14R1.159 CC(O)CCNCc1ccccc1F 34a_100000174869_100012276601 [0,1,0,0,0,1|1,0,1]=4 7419 B14R1.159 CC(O)CCNCc1ccccc1I 207a_200000755665_100000010305 [0,1,0,0,0,1|1,0,1]=4 7420 B14R1.159 CC(O)CCNCc1ccccc1I 2230a_200000755665_100011215278 [0,1,0,0,0,1|1,0,1]=4 7421 B14R1.159 CC(O)CCNCc1ccccc1I 270004a_200000755665_100000010305 [0,1,0,0,0,1|1,0,1]=4 7422 B14R1.159 CC(O)CCNCc1ccccc1O 34a_100000185550_100012276601 [0,1,0,0,0,1|1,0,1]=4 7423 B14R1.159 CC(O)CCOCc1ccccc1Br 34a_100000756307_100012276601 [0,1,0,0,0,1|1,0,1]=4 7424 B14R1.159 CC(O)CCOCc1ccccc1Br 7a_100000756307_100012276601 [0,1,0,0,0,1|1,0,1]=4 7425 B14R1.159 CC(O)CCOCc1ccccc1Cl 34a_100000210847_100012276601 [0,1,0,0,0,1|1,0,1]=4 7426 B14R1.159 CC(O)CCOCc1ccccc1Cl 7a_100000210847_100012276601 [0,1,0,0,0,1|1,0,1]=4 7427 B14R1.159 CC(O)CCOCc1ccccc1F 34a_100000211962_100012276601 [0,1,0,0,0,1|1,0,1]=4 7428 B14R1.159 CC(O)CCOCc1ccccc1F 7a_100000211962_100012276601 [0,1,0,0,0,1|1,0,1]=4 7429 B14R1.159 CC(O)CCOCc1ccccc1I 34a_100000187465_100012276601 [0,1,0,0,0,1|1,0,1]=4 7430 B14R1.159 CC(O)CCOCc1ccccc1I 7a_100000187465_100012276601 [0,1,0,0,0,1|1,0,1]=4 7431 B14R1.159 CC(O)CCOCc1ccccc1N 34a_100000212039_100012276601 [0,1,0,0,0,1|1,0,1]=4 7432 B14R1.159 CC(O)CCSCc1ccccc1Br 62a_100000184730_100012276601 [0,1,0,0,0,1|1,0,1]=4 7433 B14R1.159 CC(O)CCSCc1ccccc1Br 62a_100012276601_100000184730 [0,1,0,0,0,1|1,0,1]=4 7434 B14R1.159 CC(O)CCSCc1ccccc1Cl 62a_100000187162_100012276601 [0,1,0,0,0,1|1,0,1]=4 7435 B14R1.159 CC(O)CCSCc1ccccc1Cl 62a_100012276601_100000187162 [0,1,0,0,0,1|1,0,1]=4 7436 B14R1.159 CC(O)CCSCc1ccccc1F 62a_100000211605_100012276601 [0,1,0,0,0,1|1,0,1]=4 7437 B14R1.159 CC(O)CCSCc1ccccc1F 62a_100012276601_100000211605 [0,1,0,0,0,1|1,0,1]=4 7438 B14R1.159 CC(O)CCSCc1ccccc1I 62a_100011216222_100012276601 [0,1,0,0,0,1|1,0,1]=4 7439 B14R1.159 CC(O)CCSCc1ccccc1I 62a_100012276601_100011216222 [0,1,0,0,0,1|1,0,1]=4 7440 B14R1.159 CC(O)CNCCc1ccccc1Br 2230a_100000210904_100012161201 [0,1,0,0,0,1|1,0,1]=4 7441 B14R1.159 CC(O)CNCCc1ccccc1Br 2230a_100000747383_100011218427 [0,1,0,0,0,1|1,0,1]=4 7442 B14R1.159 CC(O)CNCCc1ccccc1Br 34a_100000210904_100012161201 [0,1,0,0,0,1|1,0,1]=4 7443 B14R1.159 CC(O)CNCCc1ccccc1Br 34a_100000747383_100011218427 [0,1,0,0,0,1|1,0,1]=4 7444 B14R1.159 CC(O)CNCCc1ccccc1Cl 2230a_100000210904_100011713703 [0,1,0,0,0,1|1,0,1]=4 7445 B14R1.159 CC(O)CNCCc1ccccc1Cl 2230a_100011207228_100011218427 [0,1,0,0,0,1|1,0,1]=4 7446 B14R1.159 CC(O)CNCCc1ccccc1Cl 270004a_100000210904_200011713468 [0,1,0,0,0,1|1,0,1]=4 7447 B14R1.159 CC(O)CNCCc1ccccc1Cl 34a_100000210904_100011713703 [0,1,0,0,0,1|1,0,1]=4 7448 B14R1.159 CC(O)CNCCc1ccccc1Cl 34a_100011207228_100011218427 [0,1,0,0,0,1|1,0,1]=4 7449 B14R1.159 CC(O)CNCCc1ccccc1F 2230a_100000185272_100011218427 [0,1,0,0,0,1|1,0,1]=4 7450 B14R1.159 CC(O)CNCCc1ccccc1F 2230a_100000210904_100011713696 [0,1,0,0,0,1|1,0,1]=4 7451 B14R1.159 CC(O)CNCCc1ccccc1F 34a_100000185272_100011218427 [0,1,0,0,0,1|1,0,1]=4 7452 B14R1.159 CC(O)CNCCc1ccccc1F 34a_100000210904_100000720011 [0,1,0,0,0,1|1,0,1]=4 7453 B14R1.159 CC(O)CNCCc1ccccc1O 34a_100000210904_100000722297 [0,1,0,0,0,1|1,0,1]=4 7454 B14R1.159 CC(O)CNCCc1ccccc1O 34a_100011207237_100011218427 [0,1,0,0,0,1|1,0,1]=4 7455 B14R1.159 CC(O)COCCc1ccccc1Br 34a_100000731337_100011218427 [0,1,0,0,0,1|1,0,1]=4 7456 B14R1.159 CC(O)COCCc1ccccc1Br 7a_100000731337_100011218427 [0,1,0,0,0,1|1,0,1]=4 7457 B14R1.159 CC(O)COCCc1ccccc1Cl 34a_100011215284_100011218427 [0,1,0,0,0,1|1,0,1]=4 7458 B14R1.159 CC(O)COCCc1ccccc1Cl 7a_100011215284_100011218427 [0,1,0,0,0,1|1,0,1]=4 7459 B14R1.159 CC(O)COCCc1ccccc1F 34a_100000753711_100011218427 [0,1,0,0,0,1|1,0,1]=4 7460 B14R1.159 CC(O)COCCc1ccccc1F 7a_100000753711_100011218427 [0,1,0,0,0,1|1,0,1]=4 7461 B14R1.159 CC(O)COCCc1ccccc1I 34a_100010255290_100011218427 [0,1,0,0,0,1|1,0,1]=4 7462 B14R1.159 CC(O)COCCc1ccccc1I 7a_100010255290_100011218427 [0,1,0,0,0,1|1,0,1]=4 7463 B14R1.159 CC(O)COCCc1ccccc1N 34a_100011215289_100011218427 [0,1,0,0,0,1|1,0,1]=4 7464 B14R1.159 CC(O)CSCCc1ccccc1Br 62a_100011218427_100012161201 [0,1,0,0,0,1|1,0,1]=4 7465 B14R1.159 CC(O)CSCCc1ccccc1Br 62a_100012161201_100011218427 [0,1,0,0,0,1|1,0,1]=4 7466 B14R1.159 CC(O)CSCCc1ccccc1Cl 62a_100011218427_100011713703 [0,1,0,0,0,1|1,0,1]=4 7467 B14R1.159 CC(O)CSCCc1ccccc1Cl 62a_100011713703_100011218427 [0,1,0,0,0,1|1,0,1]=4 7468 B14R1.159 CC(O)CSCCc1ccccc1F 62a_100011218427_100011713696 [0,1,0,0,0,1|1,0,1]=4 7469 B14R1.159 CC(O)CSCCc1ccccc1F 62a_100011713696_100011218427 [0,1,0,0,0,1|1,0,1]=4 7470 B14R1.159 CC(O)CSCCc1ccccc1O 62a_100000722297_100011218427 [0,1,0,0,0,1|1,0,1]=4 7471 B14R1.159 CC(O)CSCCc1ccccc1O 62a_100011218427_100000722297 [0,1,0,0,0,1|1,0,1]=4 7472 B14R1.159 C[C@@H](O)CNCCc1ccccc1Br 2230a_100000747383_100009817552 [0,1,0,0,0,1|1,0,1]=4 7473 B14R1.159 C[C@@H](O)CNCCc1ccccc1Br 34a_100000747383_100009817552 [0,1,0,0,0,1|1,0,1]=4 7474 B14R1.159 C[C@@H](O)CNCCc1ccccc1Cl 2230a_100011207228_100009817552 [0,1,0,0,0,1|1,0,1]=4 7475 B14R1.159 C[C@@H](O)CNCCc1ccccc1Cl 34a_100011207228_100009817552 [0,1,0,0,0,1|1,0,1]=4 7476 B14R1.159 C[C@@H](O)CNCCc1ccccc1F 2230a_100000185272_100009817552 [0,1,0,0,0,1|1,0,1]=4 7477 B14R1.159 C[C@@H](O)CNCCc1ccccc1F 34a_100000185272_100009817552 [0,1,0,0,0,1|1,0,1]=4 7478 B14R1.159 C[C@@H](O)CNCCc1ccccc1O 34a_100011207237_100009817552 [0,1,0,0,0,1|1,0,1]=4 7479 B14R1.159 C[C@@H](O)COCCc1ccccc1Br 34a_100000731337_100009817552 [0,1,0,0,0,1|1,0,1]=4 7480 B14R1.159 C[C@@H](O)COCCc1ccccc1Br 7a_100000731337_100009817552 [0,1,0,0,0,1|1,0,1]=4 7481 B14R1.159 C[C@@H](O)COCCc1ccccc1Cl 34a_100011215284_100009817552 [0,1,0,0,0,1|1,0,1]=4 7482 B14R1.159 C[C@@H](O)COCCc1ccccc1Cl 7a_100011215284_100009817552 [0,1,0,0,0,1|1,0,1]=4 7483 B14R1.159 C[C@@H](O)COCCc1ccccc1F 34a_100000753711_100009817552 [0,1,0,0,0,1|1,0,1]=4 7484 B14R1.159 C[C@@H](O)COCCc1ccccc1F 7a_100000753711_100009817552 [0,1,0,0,0,1|1,0,1]=4 7485 B14R1.159 C[C@@H](O)COCCc1ccccc1I 34a_100010255290_100009817552 [0,1,0,0,0,1|1,0,1]=4 7486 B14R1.159 C[C@@H](O)COCCc1ccccc1I 7a_100010255290_100009817552 [0,1,0,0,0,1|1,0,1]=4 7487 B14R1.159 C[C@@H](O)COCCc1ccccc1N 34a_100011215289_100009817552 [0,1,0,0,0,1|1,0,1]=4 7488 B14R1.159 C[C@@H](O)CSCCc1ccccc1Br 62a_100009817552_100012161201 [0,1,0,0,0,1|1,0,1]=4 7489 B14R1.159 C[C@@H](O)CSCCc1ccccc1Br 62a_100012161201_100009817552 [0,1,0,0,0,1|1,0,1]=4 7490 B14R1.159 C[C@@H](O)CSCCc1ccccc1Cl 62a_100009817552_100011713703 [0,1,0,0,0,1|1,0,1]=4 7491 B14R1.159 C[C@@H](O)CSCCc1ccccc1Cl 62a_100011713703_100009817552 [0,1,0,0,0,1|1,0,1]=4 7492 B14R1.159 C[C@@H](O)CSCCc1ccccc1F 62a_100009817552_100011713696 [0,1,0,0,0,1|1,0,1]=4 7493 B14R1.159 C[C@@H](O)CSCCc1ccccc1F 62a_100011713696_100009817552 [0,1,0,0,0,1|1,0,1]=4 7494 B14R1.159 C[C@@H](O)CSCCc1ccccc1O 62a_100000722297_100009817552 [0,1,0,0,0,1|1,0,1]=4 7495 B14R1.159 C[C@@H](O)CSCCc1ccccc1O 62a_100009817552_100000722297 [0,1,0,0,0,1|1,0,1]=4 7496 B14R1.159 C[n+]1ccccc1SCCCC(=O)N 62a_100102525003_100000212160 [0,1,0,0,0,1|2,0,0]=4 7497 B14R1.159 Cc1ccccc1CCNCC(=O)N 2230a_100000685071_100000747473 [0,1,0,0,0,1|1,0,0]=3 7498 B14R1.159 Cc1ccccc1CCNCC(=O)N 2230a_100000711301_100011713688 [0,1,0,0,0,1|1,0,0]=3 7499 B14R1.159 Cc1ccccc1CCNCC(=O)N 34a_100000685071_100000187820 [0,1,0,0,0,1|1,0,0]=3 7500 B14R1.159 Cc1ccccc1CCNCC(=O)O 269956a_100016091260_100011713688 [0,1,0,0,0,1|0,0,0]=2 7501 B14R1.159 Cc1ccccc1CCNCC(=O)[O-] 34a_100000685071_100020667443 [0,1,0,0,0,1|0,0,1]=3 7502 B14R1.159 Cc1ccccc1CCNCC(C)O 2230a_100000210904_100011713688 [0,1,0,0,0,1|1,0,1]=4 7503 B14R1.159 Cc1ccccc1CCNCC(C)O 2230a_100000685071_100011218427 [0,1,0,0,0,1|1,0,1]=4 7504 B14R1.159 Cc1ccccc1CCNCC(C)O 34a_100000210904_100011713688 [0,1,0,0,0,1|1,0,1]=4 7505 B14R1.159 Cc1ccccc1CCNCC(C)O 34a_100000685071_100011218427 [0,1,0,0,0,1|1,0,1]=4 7506 B14R1.159 Cc1ccccc1CCNC[C@@H](C)O 2230a_100000685071_100009817552 [0,1,0,0,0,1|1,0,1]=4 7507 B14R1.159 Cc1ccccc1CCNC[C@@H](C)O 34a_100000685071_100009817552 [0,1,0,0,0,1|1,0,1]=4 7508 B14R1.159 Cc1ccccc1CCNC[N+](=O)[O-] 34a_100000685071_100000761209 [0,1,0,0,0,1|1,0,1]=4 7509 B14R1.159 Cc1ccccc1CCOCC(=O)N 34a_100011220023_100000187820 [0,1,0,0,0,1|1,0,0]=3 7510 B14R1.159 Cc1ccccc1CCOCC(=O)N 7a_100011220023_100000187820 [0,1,0,0,0,1|1,0,0]=3 7511 B14R1.159 Cc1ccccc1CCOCC(=O)[O-] 34a_100011220023_100020667443 [0,1,0,0,0,1|0,0,1]=3 7512 B14R1.159 Cc1ccccc1CCOCC(C)O 34a_100011220023_100011218427 [0,1,0,0,0,1|1,0,1]=4 7513 B14R1.159 Cc1ccccc1CCOCC(C)O 7a_100011220023_100011218427 [0,1,0,0,0,1|1,0,1]=4 7514 B14R1.159 Cc1ccccc1CCOC[C@@H](C)O 34a_100011220023_100009817552 [0,1,0,0,0,1|1,0,1]=4 7515 B14R1.159 Cc1ccccc1CCOC[C@@H](C)O 7a_100011220023_100009817552 [0,1,0,0,0,1|1,0,1]=4 7516 B14R1.159 Cc1ccccc1CCOC[N+](=O)[O-] 34a_100011220023_100000761209 [0,1,0,0,0,1|1,0,1]=4 7517 B14R1.159 Cc1ccccc1CCSCC(=O)N 62a_100000747473_100011713688 [0,1,0,0,0,1|1,0,0]=3 7518 B14R1.159 Cc1ccccc1CCSCC(=O)N 62a_100011713688_100000747473 [0,1,0,0,0,1|1,0,0]=3 7519 B14R1.159 Cc1ccccc1CCSCC(=O)[O-] 62a_100011713688_100020667443 [0,1,0,0,0,1|0,0,1]=3 7520 B14R1.159 Cc1ccccc1CCSCC(=O)[O-] 62a_100020667443_100011713688 [0,1,0,0,0,1|0,0,1]=3 7521 B14R1.159 Cc1ccccc1CCSCC(C)O 62a_100011218427_100011713688 [0,1,0,0,0,1|1,0,1]=4 7522 B14R1.159 Cc1ccccc1CCSCC(C)O 62a_100011713688_100011218427 [0,1,0,0,0,1|1,0,1]=4 7523 B14R1.159 Cc1ccccc1CCSC[C@@H](C)O 62a_100009817552_100011713688 [0,1,0,0,0,1|1,0,1]=4 7524 B14R1.159 Cc1ccccc1CCSC[C@@H](C)O 62a_100011713688_100009817552 [0,1,0,0,0,1|1,0,1]=4 7525 B14R1.159 Cc1ccccc1CCSC[N+](=O)[O-] 62a_100011713688_100000761209 [0,1,0,0,0,1|1,0,1]=4 7526 B14R1.159 Cc1ccccc1CNCCC(=O)N 207a_100000740010_100000211143 [0,1,0,0,0,1|1,0,0]=3 7527 B14R1.159 Cc1ccccc1CNCCC(=O)N 34a_100000174972_100000731001 [0,1,0,0,0,1|1,0,0]=3 7528 B14R1.159 Cc1ccccc1CNCCC(C)O 207a_200000755665_100000211143 [0,1,0,0,0,1|1,0,1]=4 7529 B14R1.159 Cc1ccccc1CNCCC(C)O 2230a_200000755665_100000211839 [0,1,0,0,0,1|1,0,1]=4 7530 B14R1.159 Cc1ccccc1CNCCC(C)O 270004a_200000755665_100000211143 [0,1,0,0,0,1|1,0,1]=4 7531 B14R1.159 Cc1ccccc1CNCCC(C)O 34a_100000174972_100012276601 [0,1,0,0,0,1|1,0,1]=4 7532 B14R1.159 Cc1ccccc1CNOCC(=O)O 269956a_100000106656_100000211750 [0,1,0,0,0,1|1,0,0]=3 7533 B14R1.159 Cc1ccccc1COCCC(=O)N 34a_100000698903_100000731001 [0,1,0,0,0,1|1,0,0]=3 7534 B14R1.159 Cc1ccccc1COCCC(=O)N 34a_100000757172_100000211839 [0,1,0,0,0,1|1,0,0]=3 7535 B14R1.159 Cc1ccccc1COCCC(=O)N 7a_100000698903_100000744528 [0,1,0,0,0,1|1,0,0]=3 7536 B14R1.159 Cc1ccccc1COCCC(=O)N 7a_100000757172_100000211839 [0,1,0,0,0,1|1,0,0]=3 7537 B14R1.159 Cc1ccccc1COCCC(C)O 34a_100000698903_100012276601 [0,1,0,0,0,1|1,0,1]=4 7538 B14R1.159 Cc1ccccc1COCCC(C)O 7a_100000698903_100012276601 [0,1,0,0,0,1|1,0,1]=4 7539 B14R1.159 Cc1ccccc1CSCCC(=O)N 62a_100000211839_100000744528 [0,1,0,0,0,1|1,0,0]=3 7540 B14R1.159 Cc1ccccc1CSCCC(=O)N 62a_100000744528_100000211839 [0,1,0,0,0,1|1,0,0]=3 7541 B14R1.159 Cc1ccccc1CSCCC(C)O 62a_100000211839_100012276601 [0,1,0,0,0,1|1,0,1]=4 7542 B14R1.159 Cc1ccccc1CSCCC(C)O 62a_100012276601_100000211839 [0,1,0,0,0,1|1,0,1]=4 7543 B14R1.159 Cc1ccccc1NCCCC(=O)N 34a_100015192222_100102525003 [0,1,0,0,0,1|1,0,0]=3 7544 B14R1.159 Cc1ccccc1NCCCC(C)O 34a_100015192222_200000718107 [0,1,0,0,0,1|1,0,1]=4 7545 B14R1.159 Cc1ccccc1NCCOC(=O)N 34a_100015192222_200011214921 [0,1,0,0,0,1|2,0,0]=4 7546 B14R1.159 Cc1ccccc1OCCCC(=O)N 34a_100000210338_100102525003 [0,1,0,0,0,1|1,0,0]=3 7547 B14R1.159 Cc1ccccc1OCCCC(=O)N 7a_100000210338_100102525003 [0,1,0,0,0,1|1,0,0]=3 7548 B14R1.159 Cc1ccccc1OCCCC(=O)[13CH3] 1458a_100000735866_200025704644 [0,1,0,0,0,1|1,0,0]=3 7549 B14R1.159 Cc1ccccc1OCCCC(C)O 34a_100000210338_200000718107 [0,1,0,0,0,1|1,0,1]=4 7550 B14R1.159 Cc1ccccc1OCCCC(C)O 7a_100000210338_200000718107 [0,1,0,0,0,1|1,0,1]=4 7551 B14R1.159 Cc1ccccc1OCCNC(=O)N 7a_100000210338_200000034859 [0,1,0,0,0,1|2,0,0]=4 7552 B14R1.159 Cc1ccccc1OCCOC(=O)N 34a_100000210338_200011214921 [0,1,0,0,0,1|2,0,0]=4 7553 B14R1.159 Cc1ccccc1OCCOC(=O)N 7a_100000210338_200011214921 [0,1,0,0,0,1|2,0,0]=4 7554 B14R1.159 Cc1ccccc1SCCCC(=O)N 62a_100000210755_100102525003 [0,1,0,0,0,1|1,0,0]=3 7555 B14R1.159 Cc1ccccc1SCCCC(=O)N 62a_100102525003_100000210755 [0,1,0,0,0,1|1,0,0]=3 7556 B14R1.159 Cc1ccccc1SCCCC(C)O 62a_100000210755_200000718107 [0,1,0,0,0,1|1,0,1]=4 7557 B14R1.159 Cc1ccccc1SCCCC(C)O 62a_200000718107_100000210755 [0,1,0,0,0,1|1,0,1]=4 7558 B14R1.159 Cc1ccccc1SCCNC(=O)N 62a_100000210755_200000034859 [0,1,0,0,0,1|2,0,0]=4 7559 B14R1.159 Cc1ccccc1SCCNC(=O)N 62a_200000034859_100000210755 [0,1,0,0,0,1|2,0,0]=4 7560 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_100000210755_200011214921 [0,1,0,0,0,1|2,0,0]=4 7561 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_200011214921_100000210755 [0,1,0,0,0,1|2,0,0]=4 7562 B14R1.159 Cc1cccnc1CCOCC(=O)N 34a_100011997706_100000187820 [0,1,0,0,0,1|2,0,0]=4 7563 B14R1.159 Cc1cccnc1CCOCC(=O)N 7a_100011997706_100000187820 [0,1,0,0,0,1|2,0,0]=4 7564 B14R1.159 Cc1cccnc1CCOCC(=O)[O-] 34a_100011997706_100020667443 [0,1,0,0,0,1|1,0,1]=4 7565 B14R1.159 Cc1cccnc1CNCCC(=O)N 207a_100000740010_100000698913 [0,1,0,0,0,1|2,0,0]=4 7566 B14R1.159 Cc1cccnc1CNCCC(=O)N 34a_100011223789_100000731001 [0,1,0,0,0,1|2,0,0]=4 7567 B14R1.159 Cc1cccnc1CNOCC(=O)O 269956a_100000106656_100000696600 [0,1,0,0,0,1|2,0,0]=4 7568 B14R1.159 Cc1cccnc1COCCC(=O)N 34a_100000698912_100000731001 [0,1,0,0,0,1|2,0,0]=4 7569 B14R1.159 Cc1cccnc1COCCC(=O)N 34a_100000757172_100000696600 [0,1,0,0,0,1|2,0,0]=4 7570 B14R1.159 Cc1cccnc1COCCC(=O)N 7a_100000757172_100000696600 [0,1,0,0,0,1|2,0,0]=4 7571 B14R1.159 Cc1cccnc1CSCCC(=O)N 62a_100000696600_100000744528 [0,1,0,0,0,1|2,0,0]=4 7572 B14R1.159 Cc1cccnc1CSCCC(=O)N 62a_100000744528_100000696600 [0,1,0,0,0,1|2,0,0]=4 7573 B14R1.159 Cc1cccnc1SCCCC(=O)N 62a_100000751373_100102525003 [0,1,0,0,0,1|2,0,0]=4 7574 B14R1.159 Cc1cccnc1SCCCC(=O)N 62a_100102525003_100000751373 [0,1,0,0,0,1|2,0,0]=4 7575 B14R1.159 Cc1ccncc1CNCCC(=O)N 207a_100000740010_100000685662 [0,1,0,0,0,1|2,0,0]=4 7576 B14R1.159 Cc1ccncc1CNOCC(=O)O 269956a_100000106656_100000690890 [0,1,0,0,0,1|2,0,0]=4 7577 B14R1.159 Cc1ccncc1COCCC(=O)N 34a_100000757172_100000690890 [0,1,0,0,0,1|2,0,0]=4 7578 B14R1.159 Cc1ccncc1COCCC(=O)N 34a_100011996381_100000731001 [0,1,0,0,0,1|2,0,0]=4 7579 B14R1.159 Cc1ccncc1COCCC(=O)N 7a_100000757172_100000690890 [0,1,0,0,0,1|2,0,0]=4 7580 B14R1.159 Cc1ccncc1CSCCC(=O)N 62a_100000690890_100000744528 [0,1,0,0,0,1|2,0,0]=4 7581 B14R1.159 Cc1ccncc1CSCCC(=O)N 62a_100000744528_100000690890 [0,1,0,0,0,1|2,0,0]=4 7582 B14R1.159 Cc1ccncc1OCCCC(=O)N 34a_100011997053_100102525003 [0,1,0,0,0,1|2,0,0]=4 7583 B14R1.159 Cc1ccncc1OCCCC(=O)N 7a_100011997053_100102525003 [0,1,0,0,0,1|2,0,0]=4 7584 B14R1.159 Cc1ccncc1SCCCC(=O)N 62a_100000761580_100102525003 [0,1,0,0,0,1|2,0,0]=4 7585 B14R1.159 Cc1ccncc1SCCCC(=O)N 62a_100102525003_100000761580 [0,1,0,0,0,1|2,0,0]=4 7586 B14R1.159 Cc1cnccc1CNOCC(=O)O 269956a_100000106656_100020672808 [0,1,0,0,0,1|2,0,0]=4 7587 B14R1.159 Cc1cnccc1COCCC(=O)N 34a_100000757172_100020672809 [0,1,0,0,0,1|2,0,0]=4 7588 B14R1.159 Cc1cnccc1COCCC(=O)N 34a_100011997032_100000731001 [0,1,0,0,0,1|2,0,0]=4 7589 B14R1.159 Cc1cnccc1COCCC(=O)N 7a_100000757172_100020672808 [0,1,0,0,0,1|2,0,0]=4 7590 B14R1.159 Cc1cnccc1CSCCC(=O)N 62a_100000744528_100020672808 [0,1,0,0,0,1|2,0,0]=4 7591 B14R1.159 Cc1cnccc1CSCCC(=O)N 62a_100020672808_100000744528 [0,1,0,0,0,1|2,0,0]=4 7592 B14R1.159 Cc1cnccc1NCCCC(=O)N 27a_100000739312_100000765111 [0,1,0,0,0,1|2,0,0]=4 7593 B14R1.159 Cc1cnccc1OCCCC(=O)N 34a_100000694293_100102525003 [0,1,0,0,0,1|2,0,0]=4 7594 B14R1.159 Cc1cnccc1SCCCC(=O)N 62a_100000765111_100102525003 [0,1,0,0,0,1|2,0,0]=4 7595 B14R1.159 Cc1cnccc1SCCCC(=O)N 62a_100102525003_100000765111 [0,1,0,0,0,1|2,0,0]=4 7596 B14R1.159 Cc1ncccc1CNCCC(=O)N 207a_100000740010_100000751968 [0,1,0,0,0,1|2,0,0]=4 7597 B14R1.159 Cc1ncccc1CNOCC(=O)O 269956a_100000106656_100000732876 [0,1,0,0,0,1|2,0,0]=4 7598 B14R1.159 Cc1ncccc1COCCC(=O)N 34a_100000729262_100000731001 [0,1,0,0,0,1|2,0,0]=4 7599 B14R1.159 Cc1ncccc1COCCC(=O)N 34a_100000757172_100000732876 [0,1,0,0,0,1|2,0,0]=4 7600 B14R1.159 Cc1ncccc1COCCC(=O)N 7a_100000729262_100000744528 [0,1,0,0,0,1|2,0,0]=4 7601 B14R1.159 Cc1ncccc1COCCC(=O)N 7a_100000757172_100000732876 [0,1,0,0,0,1|2,0,0]=4 7602 B14R1.159 Cc1ncccc1CSCCC(=O)N 62a_100000732876_100000744528 [0,1,0,0,0,1|2,0,0]=4 7603 B14R1.159 Cc1ncccc1CSCCC(=O)N 62a_100000744528_100000732876 [0,1,0,0,0,1|2,0,0]=4 7604 B14R1.159 Cc1ncccc1OCCCC(=O)N 34a_100000745507_100102525003 [0,1,0,0,0,1|2,0,0]=4 7605 B14R1.159 Cc1ncccc1OCCCC(=O)N 7a_100000745507_100102525003 [0,1,0,0,0,1|2,0,0]=4 7606 B14R1.159 Cc1ncccc1SCCCC(=O)N 62a_100000751574_100102525003 [0,1,0,0,0,1|2,0,0]=4 7607 B14R1.159 Cc1ncccc1SCCCC(=O)N 62a_100102525003_100000751574 [0,1,0,0,0,1|2,0,0]=4 7608 B14R1.159 NC(=O)CCCNc1ccccc1Br 34a_100000210017_100102525003 [0,1,0,0,0,1|1,0,0]=3 7609 B14R1.159 NC(=O)CCCNc1ccccc1Cl 34a_100000185783_100102525003 [0,1,0,0,0,1|1,0,0]=3 7610 B14R1.159 NC(=O)CCCNc1ccccc1F 34a_100000210422_100102525003 [0,1,0,0,0,1|1,0,0]=3 7611 B14R1.159 NC(=O)CCCNc1ccccc1I 34a_100000210053_100102525003 [0,1,0,0,0,1|1,0,0]=3 7612 B14R1.159 NC(=O)CCCNc1ccccc1O 34a_100000185747_100102525003 [0,1,0,0,0,1|1,0,0]=3 7613 B14R1.159 NC(=O)CCCNc1ccncc1Br 27a_100000739312_100000726257 [0,1,0,0,0,1|2,0,0]=4 7614 B14R1.159 NC(=O)CCCNc1ccncc1F 27a_100000739312_100000035921 [0,1,0,0,0,1|2,0,0]=4 7615 B14R1.159 NC(=O)CCCNc1ncccc1Br 27a_100000739312_100000696092 [0,1,0,0,0,1|2,0,0]=4 7616 B14R1.159 NC(=O)CCCOc1cccc[n+]1[O-] 7a_100000211761_100102525003 [0,1,0,0,0,1|2,0,0]=4 7617 B14R1.159 NC(=O)CCCOc1ccccc1Br 34a_100000181306_100102525003 [0,1,0,0,0,1|1,0,0]=3 7618 B14R1.159 NC(=O)CCCOc1ccccc1Br 7a_100000181306_100102525003 [0,1,0,0,0,1|1,0,0]=3 7619 B14R1.159 NC(=O)CCCOc1ccccc1Cl 34a_100000210172_100102525003 [0,1,0,0,0,1|1,0,0]=3 7620 B14R1.159 NC(=O)CCCOc1ccccc1Cl 7a_100000210172_100102525003 [0,1,0,0,0,1|1,0,0]=3 7621 B14R1.159 NC(=O)CCCOc1ccccc1F 34a_100000210171_100102525003 [0,1,0,0,0,1|1,0,0]=3 7622 B14R1.159 NC(=O)CCCOc1ccccc1F 7a_100000210171_100102525003 [0,1,0,0,0,1|1,0,0]=3 7623 B14R1.159 NC(=O)CCCOc1ccccc1I 34a_100000739446_100102525003 [0,1,0,0,0,1|1,0,0]=3 7624 B14R1.159 NC(=O)CCCOc1ccccc1I 7a_100000739446_100102525003 [0,1,0,0,0,1|1,0,0]=3 7625 B14R1.159 NC(=O)CCCOc1ccccc1N 34a_100000185747_100102525003 [0,1,0,0,0,1|1,0,0]=3 7626 B14R1.159 NC(=O)CCCOc1ccccc1N 7a_100000185747_100102525003 [0,1,0,0,0,1|1,0,0]=3 7627 B14R1.159 NC(=O)CCCOc1cccnc1Br 34a_100000744436_100102525003 [0,1,0,0,0,1|2,0,0]=4 7628 B14R1.159 NC(=O)CCCOc1cccnc1Br 7a_100000744436_100102525003 [0,1,0,0,0,1|2,0,0]=4 7629 B14R1.159 NC(=O)CCCOc1cccnc1Cl 34a_100000757616_100102525003 [0,1,0,0,0,1|2,0,0]=4 7630 B14R1.159 NC(=O)CCCOc1cccnc1Cl 7a_100000757616_100102525003 [0,1,0,0,0,1|2,0,0]=4 7631 B14R1.159 NC(=O)CCCOc1cccnc1F 34a_100000061740_100102525003 [0,1,0,0,0,1|2,0,0]=4 7632 B14R1.159 NC(=O)CCCOc1cccnc1F 7a_100000061740_100102525003 [0,1,0,0,0,1|2,0,0]=4 7633 B14R1.159 NC(=O)CCCOc1cccnc1I 34a_100000034122_100102525003 [0,1,0,0,0,1|2,0,0]=4 7634 B14R1.159 NC(=O)CCCOc1cccnc1I 7a_100000034122_100102525003 [0,1,0,0,0,1|2,0,0]=4 7635 B14R1.159 NC(=O)CCCOc1cccnc1N 34a_100000211975_100102525003 [0,1,0,0,0,1|2,0,0]=4 7636 B14R1.159 NC(=O)CCCOc1cccnc1N 7a_100000211975_100102525003 [0,1,0,0,0,1|2,0,0]=4 7637 B14R1.159 NC(=O)CCCOc1cccoc1=O 34a_100000077404_100102525003 [0,1,0,0,0,1|2,0,0]=4 7638 B14R1.159 NC(=O)CCCOc1cccoc1=O 7a_100000077404_100102525003 [0,1,0,0,0,1|2,0,0]=4 7639 B14R1.159 NC(=O)CCCOc1ccncc1Br 34a_100011996408_100102525003 [0,1,0,0,0,1|2,0,0]=4 7640 B14R1.159 NC(=O)CCCOc1ccncc1Cl 34a_100011997054_100102525003 [0,1,0,0,0,1|2,0,0]=4 7641 B14R1.159 NC(=O)CCCOc1ccncc1F 34a_200000081243_100102525003 [0,1,0,0,0,1|2,0,0]=4 7642 B14R1.159 NC(=O)CCCOc1cnccc1Cl 34a_100011996695_100102525003 [0,1,0,0,0,1|2,0,0]=4 7643 B14R1.159 NC(=O)CCCOc1cnccc1I 34a_100000050107_100102525003 [0,1,0,0,0,1|2,0,0]=4 7644 B14R1.159 NC(=O)CCCOc1cnccc1N 34a_100000753702_100102525003 [0,1,0,0,0,1|2,0,0]=4 7645 B14R1.159 NC(=O)CCCOc1coccc1=O 34a_100000060831_100102525003 [0,1,0,0,0,1|2,0,0]=4 7646 B14R1.159 NC(=O)CCCOc1ncccc1Cl 34a_100011290957_100102525003 [0,1,0,0,0,1|2,0,0]=4 7647 B14R1.159 NC(=O)CCCOc1ncccc1F 34a_100011219419_100102525003 [0,1,0,0,0,1|2,0,0]=4 7648 B14R1.159 NC(=O)CCCOc1ncccc1N 34a_100000746358_100102525003 [0,1,0,0,0,1|2,0,0]=4 7649 B14R1.159 NC(=O)CCCSc1c[nH]ccc1=O 62a_100009998708_100102525003 [0,1,0,0,0,1|2,0,0]=4 7650 B14R1.159 NC(=O)CCCSc1c[nH]ccc1=O 62a_100102525003_100009998708 [0,1,0,0,0,1|2,0,0]=4 7651 B14R1.159 NC(=O)CCCSc1c[nH]ccc1=S 62a_100102525003_200012280681 [0,1,0,0,0,1|2,0,0]=4 7652 B14R1.159 NC(=O)CCCSc1c[nH]ccc1=S 62a_200012280681_100102525003 [0,1,0,0,0,1|2,0,0]=4 7653 B14R1.159 NC(=O)CCCSc1cccc[n+]1[O-] 62a_100102525003_200000042595 [0,1,0,0,0,1|2,0,0]=4 7654 B14R1.159 NC(=O)CCCSc1ccccc1Br 62a_100000695589_100102525003 [0,1,0,0,0,1|1,0,0]=3 7655 B14R1.159 NC(=O)CCCSc1ccccc1Br 62a_100102525003_100000695589 [0,1,0,0,0,1|1,0,0]=3 7656 B14R1.159 NC(=O)CCCSc1ccccc1Cl 62a_100000764095_100102525003 [0,1,0,0,0,1|1,0,0]=3 7657 B14R1.159 NC(=O)CCCSc1ccccc1Cl 62a_100102525003_100000764095 [0,1,0,0,0,1|1,0,0]=3 7658 B14R1.159 NC(=O)CCCSc1ccccc1F 62a_100011215700_100102525003 [0,1,0,0,0,1|1,0,0]=3 7659 B14R1.159 NC(=O)CCCSc1ccccc1F 62a_100102525003_100011215700 [0,1,0,0,0,1|1,0,0]=3 7660 B14R1.159 NC(=O)CCCSc1ccccc1N 62a_100000210017_100102525003 [0,1,0,0,0,1|1,0,0]=3 7661 B14R1.159 NC(=O)CCCSc1ccccc1N 62a_100102525003_100000210017 [0,1,0,0,0,1|1,0,0]=3 7662 B14R1.159 NC(=O)CCCSc1ccccc1O 62a_100000739446_100102525003 [0,1,0,0,0,1|1,0,0]=3 7663 B14R1.159 NC(=O)CCCSc1ccccc1O 62a_100102525003_100000739446 [0,1,0,0,0,1|1,0,0]=3 7664 B14R1.159 NC(=O)CCCSc1cccnc1Br 62a_100010202626_100102525003 [0,1,0,0,0,1|2,0,0]=4 7665 B14R1.159 NC(=O)CCCSc1cccnc1Br 62a_100102525003_100010202626 [0,1,0,0,0,1|2,0,0]=4 7666 B14R1.159 NC(=O)CCCSc1cccnc1Cl 62a_100000036424_100102525003 [0,1,0,0,0,1|2,0,0]=4 7667 B14R1.159 NC(=O)CCCSc1cccnc1Cl 62a_100102525003_100000036424 [0,1,0,0,0,1|2,0,0]=4 7668 B14R1.159 NC(=O)CCCSc1cccnc1F 62a_100009816115_100102525003 [0,1,0,0,0,1|2,0,0]=4 7669 B14R1.159 NC(=O)CCCSc1cccnc1F 62a_100102525003_100009816115 [0,1,0,0,0,1|2,0,0]=4 7670 B14R1.159 NC(=O)CCCSc1cccnc1N 62a_100000045569_100102525003 [0,1,0,0,0,1|2,0,0]=4 7671 B14R1.159 NC(=O)CCCSc1cccnc1N 62a_100102525003_100000045569 [0,1,0,0,0,1|2,0,0]=4 7672 B14R1.159 NC(=O)CCCSc1cccnc1O 62a_100000760158_100102525003 [0,1,0,0,0,1|2,0,0]=4 7673 B14R1.159 NC(=O)CCCSc1cccnc1O 62a_100102525003_100000760158 [0,1,0,0,0,1|2,0,0]=4 7674 B14R1.159 NC(=O)CCCSc1ccncc1Br 62a_100000726257_100102525003 [0,1,0,0,0,1|2,0,0]=4 7675 B14R1.159 NC(=O)CCCSc1ccncc1Br 62a_100102525003_100000726257 [0,1,0,0,0,1|2,0,0]=4 7676 B14R1.159 NC(=O)CCCSc1ccncc1Cl 62a_100000708259_100102525003 [0,1,0,0,0,1|2,0,0]=4 7677 B14R1.159 NC(=O)CCCSc1ccncc1Cl 62a_100102525003_100000708259 [0,1,0,0,0,1|2,0,0]=4 7678 B14R1.159 NC(=O)CCCSc1ccncc1F 62a_100000047030_100102525003 [0,1,0,0,0,1|2,0,0]=4 7679 B14R1.159 NC(=O)CCCSc1ccncc1F 62a_100102525003_100000047030 [0,1,0,0,0,1|2,0,0]=4 7680 B14R1.159 NC(=O)CCCSc1ccncc1N 62a_100000756074_100102525003 [0,1,0,0,0,1|2,0,0]=4 7681 B14R1.159 NC(=O)CCCSc1ccncc1N 62a_100102525003_100000756074 [0,1,0,0,0,1|2,0,0]=4 7682 B14R1.159 NC(=O)CCCSc1ccncc1O 62a_100009817591_100102525003 [0,1,0,0,0,1|2,0,0]=4 7683 B14R1.159 NC(=O)CCCSc1ccncc1O 62a_100102525003_100009817591 [0,1,0,0,0,1|2,0,0]=4 7684 B14R1.159 NC(=O)CCCSc1cnccc1Br 62a_100010138639_100102525003 [0,1,0,0,0,1|2,0,0]=4 7685 B14R1.159 NC(=O)CCCSc1cnccc1Br 62a_100102525003_100010138639 [0,1,0,0,0,1|2,0,0]=4 7686 B14R1.159 NC(=O)CCCSc1cnccc1Cl 62a_100009995489_100102525003 [0,1,0,0,0,1|2,0,0]=4 7687 B14R1.159 NC(=O)CCCSc1cnccc1Cl 62a_100102525003_100009995489 [0,1,0,0,0,1|2,0,0]=4 7688 B14R1.159 NC(=O)CCCSc1cnccc1F 62a_100009820683_100102525003 [0,1,0,0,0,1|2,0,0]=4 7689 B14R1.159 NC(=O)CCCSc1cnccc1F 62a_100102525003_100009820683 [0,1,0,0,0,1|2,0,0]=4 7690 B14R1.159 NC(=O)CCCSc1cnccc1N 62a_100000047001_100102525003 [0,1,0,0,0,1|2,0,0]=4 7691 B14R1.159 NC(=O)CCCSc1cnccc1N 62a_100102525003_100000047001 [0,1,0,0,0,1|2,0,0]=4 7692 B14R1.159 NC(=O)CCCSc1ncccc1Br 62a_100000696092_100102525003 [0,1,0,0,0,1|2,0,0]=4 7693 B14R1.159 NC(=O)CCCSc1ncccc1Br 62a_100102525003_100000696092 [0,1,0,0,0,1|2,0,0]=4 7694 B14R1.159 NC(=O)CCCSc1ncccc1Cl 62a_100011356963_100102525003 [0,1,0,0,0,1|2,0,0]=4 7695 B14R1.159 NC(=O)CCCSc1ncccc1Cl 62a_100102525003_100011356963 [0,1,0,0,0,1|2,0,0]=4 7696 B14R1.159 NC(=O)CCCSc1ncccc1F 62a_100000685392_100102525003 [0,1,0,0,0,1|2,0,0]=4 7697 B14R1.159 NC(=O)CCCSc1ncccc1F 62a_100102525003_100000685392 [0,1,0,0,0,1|2,0,0]=4 7698 B14R1.159 NC(=O)CCCSc1ncccc1N 62a_100000688686_100102525003 [0,1,0,0,0,1|2,0,0]=4 7699 B14R1.159 NC(=O)CCCSc1ncccc1N 62a_100102525003_100000688686 [0,1,0,0,0,1|2,0,0]=4 7700 B14R1.159 NC(=O)CCCSc1ncccc1O 62a_100000034122_100102525003 [0,1,0,0,0,1|2,0,0]=4 7701 B14R1.159 NC(=O)CCCSc1ncccc1O 62a_100102525003_100000034122 [0,1,0,0,0,1|2,0,0]=4 7702 B14R1.159 NC(=O)CCNCc1ccccc1Br 207a_100000740010_100000211189 [0,1,0,0,0,1|1,0,0]=3 7703 B14R1.159 NC(=O)CCNCc1ccccc1Br 2230a_100000689332_100000744528 [0,1,0,0,0,1|1,0,0]=3 7704 B14R1.159 NC(=O)CCNCc1ccccc1Br 34a_100000689332_100000731001 [0,1,0,0,0,1|1,0,0]=3 7705 B14R1.159 NC(=O)CCNCc1ccccc1Cl 207a_100000740010_100000210073 [0,1,0,0,0,1|1,0,0]=3 7706 B14R1.159 NC(=O)CCNCc1ccccc1Cl 2230a_100000174879_100000744528 [0,1,0,0,0,1|1,0,0]=3 7707 B14R1.159 NC(=O)CCNCc1ccccc1Cl 34a_100000174879_100000731001 [0,1,0,0,0,1|1,0,0]=3 7708 B14R1.159 NC(=O)CCNCc1ccccc1F 207a_100000740010_100000210811 [0,1,0,0,0,1|1,0,0]=3 7709 B14R1.159 NC(=O)CCNCc1ccccc1F 34a_100000174869_100000731001 [0,1,0,0,0,1|1,0,0]=3 7710 B14R1.159 NC(=O)CCNCc1ccccc1I 207a_100000740010_100000010305 [0,1,0,0,0,1|1,0,0]=3 7711 B14R1.159 NC(=O)CCNCc1ccccc1O 34a_100000185550_100000731001 [0,1,0,0,0,1|1,0,0]=3 7712 B14R1.159 NC(=O)CCNCc1cccnc1Br 2230a_100009818023_100000744528 [0,1,0,0,0,1|2,0,0]=4 7713 B14R1.159 NC(=O)CCNCc1cccnc1Br 34a_100009818023_100000731001 [0,1,0,0,0,1|2,0,0]=4 7714 B14R1.159 NC(=O)CCNCc1cccnc1Cl 2230a_100015189234_100000744528 [0,1,0,0,0,1|2,0,0]=4 7715 B14R1.159 NC(=O)CCNCc1cccnc1Cl 34a_100015189234_100000731001 [0,1,0,0,0,1|2,0,0]=4 7716 B14R1.159 NC(=O)CCNCc1cccnc1F 34a_100000724633_100000731001 [0,1,0,0,0,1|2,0,0]=4 7717 B14R1.159 NC(=O)CCNCc1cccnc1O 207a_100000740010_100011998315 [0,1,0,0,0,1|2,0,0]=4 7718 B14R1.159 NC(=O)CCNCc1ccncc1Cl 207a_100000740010_100011934409 [0,1,0,0,0,1|2,0,0]=4 7719 B14R1.159 NC(=O)CCNCc1ccncc1F 34a_100011935246_100000731001 [0,1,0,0,0,1|2,0,0]=4 7720 B14R1.159 NC(=O)CCNCc1ncccc1Br 207a_100000740010_100011934733 [0,1,0,0,0,1|2,0,0]=4 7721 B14R1.159 NC(=O)CCNCc1ncccc1Cl 207a_100000740010_100012001307 [0,1,0,0,0,1|2,0,0]=4 7722 B14R1.159 NC(=O)CCNCc1ncccc1Cl 2230a_100015189233_100000744528 [0,1,0,0,0,1|2,0,0]=4 7723 B14R1.159 NC(=O)CCNCc1ncccc1F 207a_100000740010_100011934734 [0,1,0,0,0,1|2,0,0]=4 7724 B14R1.159 NC(=O)CCNCc1ncccc1F 34a_100000690088_100000731001 [0,1,0,0,0,1|2,0,0]=4 7725 B14R1.159 NC(=O)CCOCc1ccccc1Br 34a_100000756307_100000731001 [0,1,0,0,0,1|1,0,0]=3 7726 B14R1.159 NC(=O)CCOCc1ccccc1Br 34a_100000757172_100000184730 [0,1,0,0,0,1|1,0,0]=3 7727 B14R1.159 NC(=O)CCOCc1ccccc1Br 7a_100000756307_100000744528 [0,1,0,0,0,1|1,0,0]=3 7728 B14R1.159 NC(=O)CCOCc1ccccc1Br 7a_100000757172_100000184730 [0,1,0,0,0,1|1,0,0]=3 7729 B14R1.159 NC(=O)CCOCc1ccccc1Cl 34a_100000210847_100000731001 [0,1,0,0,0,1|1,0,0]=3 7730 B14R1.159 NC(=O)CCOCc1ccccc1Cl 34a_100000757172_100000187162 [0,1,0,0,0,1|1,0,0]=3 7731 B14R1.159 NC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000744528 [0,1,0,0,0,1|1,0,0]=3 7732 B14R1.159 NC(=O)CCOCc1ccccc1Cl 7a_100000757172_100000187162 [0,1,0,0,0,1|1,0,0]=3 7733 B14R1.159 NC(=O)CCOCc1ccccc1F 34a_100000211962_100000731001 [0,1,0,0,0,1|1,0,0]=3 7734 B14R1.159 NC(=O)CCOCc1ccccc1F 34a_100000757172_100000211605 [0,1,0,0,0,1|1,0,0]=3 7735 B14R1.159 NC(=O)CCOCc1ccccc1F 7a_100000211962_100000744528 [0,1,0,0,0,1|1,0,0]=3 7736 B14R1.159 NC(=O)CCOCc1ccccc1F 7a_100000757172_100000211605 [0,1,0,0,0,1|1,0,0]=3 7737 B14R1.159 NC(=O)CCOCc1ccccc1I 34a_100000187465_100000731001 [0,1,0,0,0,1|1,0,0]=3 7738 B14R1.159 NC(=O)CCOCc1ccccc1I 34a_100000757172_100011215278 [0,1,0,0,0,1|1,0,0]=3 7739 B14R1.159 NC(=O)CCOCc1ccccc1I 7a_100000187465_100000744528 [0,1,0,0,0,1|1,0,0]=3 7740 B14R1.159 NC(=O)CCOCc1ccccc1I 7a_100000757172_100011215278 [0,1,0,0,0,1|1,0,0]=3 7741 B14R1.159 NC(=O)CCOCc1ccccc1N 34a_100000212039_100000731001 [0,1,0,0,0,1|1,0,0]=3 7742 B14R1.159 NC(=O)CCOCc1cccnc1Br 34a_100000719692_100000731001 [0,1,0,0,0,1|2,0,0]=4 7743 B14R1.159 NC(=O)CCOCc1cccnc1Br 34a_100000757172_100010140945 [0,1,0,0,0,1|2,0,0]=4 7744 B14R1.159 NC(=O)CCOCc1cccnc1Br 7a_100000719692_100000744528 [0,1,0,0,0,1|2,0,0]=4 7745 B14R1.159 NC(=O)CCOCc1cccnc1Br 7a_100000757172_100010140945 [0,1,0,0,0,1|2,0,0]=4 7746 B14R1.159 NC(=O)CCOCc1cccnc1Cl 34a_100000748726_100000731001 [0,1,0,0,0,1|2,0,0]=4 7747 B14R1.159 NC(=O)CCOCc1cccnc1Cl 34a_100000757172_100000045678 [0,1,0,0,0,1|2,0,0]=4 7748 B14R1.159 NC(=O)CCOCc1cccnc1Cl 7a_100000748726_100000744528 [0,1,0,0,0,1|2,0,0]=4 7749 B14R1.159 NC(=O)CCOCc1cccnc1Cl 7a_100000757172_100000045678 [0,1,0,0,0,1|2,0,0]=4 7750 B14R1.159 NC(=O)CCOCc1cccnc1F 34a_100000079888_100000731001 [0,1,0,0,0,1|2,0,0]=4 7751 B14R1.159 NC(=O)CCOCc1cccnc1F 34a_100000757172_100000099810 [0,1,0,0,0,1|2,0,0]=4 7752 B14R1.159 NC(=O)CCOCc1cccnc1F 7a_100000079888_100000744528 [0,1,0,0,0,1|2,0,0]=4 7753 B14R1.159 NC(=O)CCOCc1cccnc1F 7a_100000757172_100000099810 [0,1,0,0,0,1|2,0,0]=4 7754 B14R1.159 NC(=O)CCOCc1ccncc1Cl 7a_100000757172_100000763264 [0,1,0,0,0,1|2,0,0]=4 7755 B14R1.159 NC(=O)CCOCc1ccncc1F 34a_100012172863_100000731001 [0,1,0,0,0,1|2,0,0]=4 7756 B14R1.159 NC(=O)CCOCc1cnccc1Cl 34a_100000117392_100000731001 [0,1,0,0,0,1|2,0,0]=4 7757 B14R1.159 NC(=O)CCOCc1ncccc1Br 34a_100000757172_100025702911 [0,1,0,0,0,1|2,0,0]=4 7758 B14R1.159 NC(=O)CCOCc1ncccc1Br 34a_100011996772_100000731001 [0,1,0,0,0,1|2,0,0]=4 7759 B14R1.159 NC(=O)CCOCc1ncccc1Br 7a_100000757172_100025702911 [0,1,0,0,0,1|2,0,0]=4 7760 B14R1.159 NC(=O)CCOCc1ncccc1Cl 34a_100012002383_100000731001 [0,1,0,0,0,1|2,0,0]=4 7761 B14R1.159 NC(=O)CCOCc1ncccc1Cl 7a_100000757172_100000099807 [0,1,0,0,0,1|2,0,0]=4 7762 B14R1.159 NC(=O)CCOCc1ncccc1F 34a_100000757172_100000104219 [0,1,0,0,0,1|2,0,0]=4 7763 B14R1.159 NC(=O)CCOCc1ncccc1F 34a_100011934865_100000731001 [0,1,0,0,0,1|2,0,0]=4 7764 B14R1.159 NC(=O)CCOCc1ncccc1F 7a_100000757172_100000104219 [0,1,0,0,0,1|2,0,0]=4 7765 B14R1.159 NC(=O)CCOCc1ncccc1N 34a_114873767017_100000731001 [0,1,0,0,0,1|2,0,0]=4 7766 B14R1.159 NC(=O)CCOCc1ncccc1O 34a_100000757172_200020655725 [0,1,0,0,0,1|2,0,0]=4 7767 B14R1.159 NC(=O)CCOCc1ncccc1O 7a_100000757172_200020655725 [0,1,0,0,0,1|2,0,0]=4 7768 B14R1.159 NC(=O)CCSCc1ccccc1Br 62a_100000184730_100000744528 [0,1,0,0,0,1|1,0,0]=3 7769 B14R1.159 NC(=O)CCSCc1ccccc1Br 62a_100000744528_100000184730 [0,1,0,0,0,1|1,0,0]=3 7770 B14R1.159 NC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000744528 [0,1,0,0,0,1|1,0,0]=3 7771 B14R1.159 NC(=O)CCSCc1ccccc1Cl 62a_100000744528_100000187162 [0,1,0,0,0,1|1,0,0]=3 7772 B14R1.159 NC(=O)CCSCc1ccccc1F 62a_100000211605_100000744528 [0,1,0,0,0,1|1,0,0]=3 7773 B14R1.159 NC(=O)CCSCc1ccccc1F 62a_100000744528_100000211605 [0,1,0,0,0,1|1,0,0]=3 7774 B14R1.159 NC(=O)CCSCc1ccccc1I 62a_100000744528_100011216222 [0,1,0,0,0,1|1,0,0]=3 7775 B14R1.159 NC(=O)CCSCc1ccccc1I 62a_100011216222_100000744528 [0,1,0,0,0,1|1,0,0]=3 7776 B14R1.159 NC(=O)CCSCc1cccnc1Br 62a_100000744528_100010140945 [0,1,0,0,0,1|2,0,0]=4 7777 B14R1.159 NC(=O)CCSCc1cccnc1Br 62a_100010140945_100000744528 [0,1,0,0,0,1|2,0,0]=4 7778 B14R1.159 NC(=O)CCSCc1cccnc1Cl 62a_100000045678_100000744528 [0,1,0,0,0,1|2,0,0]=4 7779 B14R1.159 NC(=O)CCSCc1cccnc1Cl 62a_100000744528_100000045678 [0,1,0,0,0,1|2,0,0]=4 7780 B14R1.159 NC(=O)CCSCc1cccnc1F 62a_100000099810_100000744528 [0,1,0,0,0,1|2,0,0]=4 7781 B14R1.159 NC(=O)CCSCc1cccnc1F 62a_100000744528_100000099810 [0,1,0,0,0,1|2,0,0]=4 7782 B14R1.159 NC(=O)CCSCc1ccncc1Cl 62a_100000744528_100000763264 [0,1,0,0,0,1|2,0,0]=4 7783 B14R1.159 NC(=O)CCSCc1ccncc1Cl 62a_100000763264_100000744528 [0,1,0,0,0,1|2,0,0]=4 7784 B14R1.159 NC(=O)CCSCc1ncccc1Br 62a_100000744528_100025702911 [0,1,0,0,0,1|2,0,0]=4 7785 B14R1.159 NC(=O)CCSCc1ncccc1Br 62a_100025702911_100000744528 [0,1,0,0,0,1|2,0,0]=4 7786 B14R1.159 NC(=O)CCSCc1ncccc1Cl 62a_100000099807_100000744528 [0,1,0,0,0,1|2,0,0]=4 7787 B14R1.159 NC(=O)CCSCc1ncccc1Cl 62a_100000744528_100000099807 [0,1,0,0,0,1|2,0,0]=4 7788 B14R1.159 NC(=O)CCSCc1ncccc1F 62a_100000104219_100000744528 [0,1,0,0,0,1|2,0,0]=4 7789 B14R1.159 NC(=O)CCSCc1ncccc1F 62a_100000744528_100000104219 [0,1,0,0,0,1|2,0,0]=4 7790 B14R1.159 NC(=O)CCSCc1ncccc1O 62a_100000744528_200020655725 [0,1,0,0,0,1|2,0,0]=4 7791 B14R1.159 NC(=O)CCSCc1ncccc1O 62a_200020655725_100000744528 [0,1,0,0,0,1|2,0,0]=4 7792 B14R1.159 NC(=O)CNCCc1ccccc1Br 2230a_100000711301_100012161201 [0,1,0,0,0,1|1,0,0]=3 7793 B14R1.159 NC(=O)CNCCc1ccccc1Br 2230a_100000747383_100000747473 [0,1,0,0,0,1|1,0,0]=3 7794 B14R1.159 NC(=O)CNCCc1ccccc1Br 34a_100000747383_100000187820 [0,1,0,0,0,1|1,0,0]=3 7795 B14R1.159 NC(=O)CNCCc1ccccc1Cl 2230a_100000711301_100011713703 [0,1,0,0,0,1|1,0,0]=3 7796 B14R1.159 NC(=O)CNCCc1ccccc1Cl 2230a_100011207228_100000747473 [0,1,0,0,0,1|1,0,0]=3 7797 B14R1.159 NC(=O)CNCCc1ccccc1Cl 34a_100011207228_100000187820 [0,1,0,0,0,1|1,0,0]=3 7798 B14R1.159 NC(=O)CNCCc1ccccc1F 2230a_100000185272_100000747473 [0,1,0,0,0,1|1,0,0]=3 7799 B14R1.159 NC(=O)CNCCc1ccccc1F 2230a_100000711301_100011713696 [0,1,0,0,0,1|1,0,0]=3 7800 B14R1.159 NC(=O)CNCCc1ccccc1F 34a_100000185272_100000187820 [0,1,0,0,0,1|1,0,0]=3 7801 B14R1.159 NC(=O)CNCCc1ccccc1O 34a_100011207237_100000187820 [0,1,0,0,0,1|1,0,0]=3 7802 B14R1.159 NC(=O)CNCCn1ccccc1=O 2230a_100000687133_100000747473 [0,1,0,0,0,1|2,0,0]=4 7803 B14R1.159 NC(=O)COCCc1ccccc1Br 34a_100000731337_100000187820 [0,1,0,0,0,1|1,0,0]=3 7804 B14R1.159 NC(=O)COCCc1ccccc1Br 7a_100000731337_100000187820 [0,1,0,0,0,1|1,0,0]=3 7805 B14R1.159 NC(=O)COCCc1ccccc1Cl 34a_100011215284_100000187820 [0,1,0,0,0,1|1,0,0]=3 7806 B14R1.159 NC(=O)COCCc1ccccc1Cl 7a_100011215284_100000187820 [0,1,0,0,0,1|1,0,0]=3 7807 B14R1.159 NC(=O)COCCc1ccccc1F 34a_100000753711_100000187820 [0,1,0,0,0,1|1,0,0]=3 7808 B14R1.159 NC(=O)COCCc1ccccc1F 7a_100000753711_100000187820 [0,1,0,0,0,1|1,0,0]=3 7809 B14R1.159 NC(=O)COCCc1ccccc1I 34a_100010255290_100000187820 [0,1,0,0,0,1|1,0,0]=3 7810 B14R1.159 NC(=O)COCCc1ccccc1I 7a_100010255290_100000187820 [0,1,0,0,0,1|1,0,0]=3 7811 B14R1.159 NC(=O)COCCc1ccccc1N 34a_100011215289_100000187820 [0,1,0,0,0,1|1,0,0]=3 7812 B14R1.159 NC(=O)CSCCc1ccccc1Br 62a_100000747473_100012161201 [0,1,0,0,0,1|1,0,0]=3 7813 B14R1.159 NC(=O)CSCCc1ccccc1Br 62a_100012161201_100000747473 [0,1,0,0,0,1|1,0,0]=3 7814 B14R1.159 NC(=O)CSCCc1ccccc1Cl 62a_100000747473_100011713703 [0,1,0,0,0,1|1,0,0]=3 7815 B14R1.159 NC(=O)CSCCc1ccccc1Cl 62a_100011713703_100000747473 [0,1,0,0,0,1|1,0,0]=3 7816 B14R1.159 NC(=O)CSCCc1ccccc1F 62a_100000747473_100011713696 [0,1,0,0,0,1|1,0,0]=3 7817 B14R1.159 NC(=O)CSCCc1ccccc1F 62a_100011713696_100000747473 [0,1,0,0,0,1|1,0,0]=3 7818 B14R1.159 NC(=O)CSCCc1ccccc1O 62a_100000722297_100000747473 [0,1,0,0,0,1|1,0,0]=3 7819 B14R1.159 NC(=O)CSCCc1ccccc1O 62a_100000747473_100000722297 [0,1,0,0,0,1|1,0,0]=3 7820 B14R1.159 NC(=O)NCCOc1ccccc1Br 7a_100000181306_200000034859 [0,1,0,0,0,1|2,0,0]=4 7821 B14R1.159 NC(=O)NCCOc1ccccc1Cl 7a_100000210172_200000034859 [0,1,0,0,0,1|2,0,0]=4 7822 B14R1.159 NC(=O)NCCOc1ccccc1F 7a_100000210171_200000034859 [0,1,0,0,0,1|2,0,0]=4 7823 B14R1.159 NC(=O)NCCOc1ccccc1I 7a_100000739446_200000034859 [0,1,0,0,0,1|2,0,0]=4 7824 B14R1.159 NC(=O)NCCOc1ccccc1N 7a_100000185747_200000034859 [0,1,0,0,0,1|2,0,0]=4 7825 B14R1.159 NC(=O)NCCSc1ccccc1Br 62a_100000695589_200000034859 [0,1,0,0,0,1|2,0,0]=4 7826 B14R1.159 NC(=O)NCCSc1ccccc1Br 62a_200000034859_100000695589 [0,1,0,0,0,1|2,0,0]=4 7827 B14R1.159 NC(=O)NCCSc1ccccc1Cl 62a_100000764095_200000034859 [0,1,0,0,0,1|2,0,0]=4 7828 B14R1.159 NC(=O)NCCSc1ccccc1Cl 62a_200000034859_100000764095 [0,1,0,0,0,1|2,0,0]=4 7829 B14R1.159 NC(=O)NCCSc1ccccc1F 62a_100011215700_200000034859 [0,1,0,0,0,1|2,0,0]=4 7830 B14R1.159 NC(=O)NCCSc1ccccc1F 62a_200000034859_100011215700 [0,1,0,0,0,1|2,0,0]=4 7831 B14R1.159 NC(=O)NCCSc1ccccc1N 62a_100000210017_200000034859 [0,1,0,0,0,1|2,0,0]=4 7832 B14R1.159 NC(=O)NCCSc1ccccc1N 62a_200000034859_100000210017 [0,1,0,0,0,1|2,0,0]=4 7833 B14R1.159 NC(=O)NCCSc1ccccc1O 62a_100000739446_200000034859 [0,1,0,0,0,1|2,0,0]=4 7834 B14R1.159 NC(=O)NCCSc1ccccc1O 62a_200000034859_100000739446 [0,1,0,0,0,1|2,0,0]=4 7835 B14R1.159 NC(=O)OCCNc1ccccc1Br 34a_100000210017_200011214921 [0,1,0,0,0,1|2,0,0]=4 7836 B14R1.159 NC(=O)OCCNc1ccccc1Cl 34a_100000185783_200011214921 [0,1,0,0,0,1|2,0,0]=4 7837 B14R1.159 NC(=O)OCCNc1ccccc1F 34a_100000210422_200011214921 [0,1,0,0,0,1|2,0,0]=4 7838 B14R1.159 NC(=O)OCCNc1ccccc1I 34a_100000210053_200011214921 [0,1,0,0,0,1|2,0,0]=4 7839 B14R1.159 NC(=O)OCCNc1ccccc1O 34a_100000185747_200011214921 [0,1,0,0,0,1|2,0,0]=4 7840 B14R1.159 NC(=O)OCCOc1ccccc1Br 34a_100000181306_200011214921 [0,1,0,0,0,1|2,0,0]=4 7841 B14R1.159 NC(=O)OCCOc1ccccc1Br 7a_100000181306_200011214921 [0,1,0,0,0,1|2,0,0]=4 7842 B14R1.159 NC(=O)OCCOc1ccccc1Cl 34a_100000210172_200011214921 [0,1,0,0,0,1|2,0,0]=4 7843 B14R1.159 NC(=O)OCCOc1ccccc1Cl 7a_100000210172_200011214921 [0,1,0,0,0,1|2,0,0]=4 7844 B14R1.159 NC(=O)OCCOc1ccccc1F 34a_100000210171_200011214921 [0,1,0,0,0,1|2,0,0]=4 7845 B14R1.159 NC(=O)OCCOc1ccccc1F 7a_100000210171_200011214921 [0,1,0,0,0,1|2,0,0]=4 7846 B14R1.159 NC(=O)OCCOc1ccccc1I 34a_100000739446_200011214921 [0,1,0,0,0,1|2,0,0]=4 7847 B14R1.159 NC(=O)OCCOc1ccccc1I 7a_100000739446_200011214921 [0,1,0,0,0,1|2,0,0]=4 7848 B14R1.159 NC(=O)OCCOc1ccccc1N 34a_100000185747_200011214921 [0,1,0,0,0,1|2,0,0]=4 7849 B14R1.159 NC(=O)OCCOc1ccccc1N 7a_100000185747_200011214921 [0,1,0,0,0,1|2,0,0]=4 7850 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_100000695589_200011214921 [0,1,0,0,0,1|2,0,0]=4 7851 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_200011214921_100000695589 [0,1,0,0,0,1|2,0,0]=4 7852 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_100000764095_200011214921 [0,1,0,0,0,1|2,0,0]=4 7853 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_200011214921_100000764095 [0,1,0,0,0,1|2,0,0]=4 7854 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_100011215700_200011214921 [0,1,0,0,0,1|2,0,0]=4 7855 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_200011214921_100011215700 [0,1,0,0,0,1|2,0,0]=4 7856 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_100000210017_200011214921 [0,1,0,0,0,1|2,0,0]=4 7857 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_200011214921_100000210017 [0,1,0,0,0,1|2,0,0]=4 7858 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_100000739446_200011214921 [0,1,0,0,0,1|2,0,0]=4 7859 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_200011214921_100000739446 [0,1,0,0,0,1|2,0,0]=4 7860 B14R1.159 Nc1ccccc1CCOCC(=O)[O-] 34a_100011215289_100020667443 [0,1,0,0,0,1|0,0,1]=3 7861 B14R1.159 Nc1ccccc1CCOC[N+](=O)[O-] 34a_100011215289_100000761209 [0,1,0,0,0,1|1,0,1]=4 7862 B14R1.159 O=C(O)CNCCc1ccccc1Br 269956a_100016091260_100012161201 [0,1,0,0,0,1|0,0,0]=2 7863 B14R1.159 O=C(O)CNCCc1ccccc1Cl 269956a_100016091260_100011713703 [0,1,0,0,0,1|0,0,0]=2 7864 B14R1.159 O=C(O)CNCCc1ccccc1F 269956a_100016091260_100011713696 [0,1,0,0,0,1|0,0,0]=2 7865 B14R1.159 O=C(O)CNCCc1ccccc1O 269956a_100016091260_100000722297 [0,1,0,0,0,1|0,0,0]=2 7866 B14R1.159 O=C(O)CONCc1ccccc1Br 269956a_100000106656_100000184730 [0,1,0,0,0,1|1,0,0]=3 7867 B14R1.159 O=C(O)CONCc1ccccc1Cl 269956a_100000106656_100000187162 [0,1,0,0,0,1|1,0,0]=3 7868 B14R1.159 O=C(O)CONCc1ccccc1F 269956a_100000106656_100000187165 [0,1,0,0,0,1|1,0,0]=3 7869 B14R1.159 O=C(O)CONCc1ccccc1I 269956a_100000106656_100011216222 [0,1,0,0,0,1|1,0,0]=3 7870 B14R1.159 O=C(O)CONCc1cccnc1Br 269956a_100000106656_100010140945 [0,1,0,0,0,1|2,0,0]=4 7871 B14R1.159 O=C(O)CONCc1cccnc1Cl 269956a_100000106656_100000045678 [0,1,0,0,0,1|2,0,0]=4 7872 B14R1.159 O=C(O)CONCc1cccnc1F 269956a_100000106656_100000099810 [0,1,0,0,0,1|2,0,0]=4 7873 B14R1.159 O=C(O)CONCc1ccncc1Cl 269956a_100000106656_100000763264 [0,1,0,0,0,1|2,0,0]=4 7874 B14R1.159 O=C(O)CONCc1ncccc1Br 269956a_100000106656_100025702911 [0,1,0,0,0,1|2,0,0]=4 7875 B14R1.159 O=C(O)CONCc1ncccc1Cl 269956a_100000106656_100000099807 [0,1,0,0,0,1|2,0,0]=4 7876 B14R1.159 O=C(O)CONCc1ncccc1F 269956a_100000106656_100000104219 [0,1,0,0,0,1|2,0,0]=4 7877 B14R1.159 O=C(O)CONCc1ncccc1O 269956a_100000106656_200020655725 [0,1,0,0,0,1|2,0,0]=4 7878 B14R1.159 O=C([O-])CNCCc1ccccc1Br 34a_100000747383_100020667443 [0,1,0,0,0,1|0,0,1]=3 7879 B14R1.159 O=C([O-])CNCCc1ccccc1Cl 34a_100011207228_100020667443 [0,1,0,0,0,1|0,0,1]=3 7880 B14R1.159 O=C([O-])CNCCc1ccccc1F 34a_100000185272_100020667443 [0,1,0,0,0,1|0,0,1]=3 7881 B14R1.159 O=C([O-])CNCCc1ccccc1O 34a_100011207237_100020667443 [0,1,0,0,0,1|0,0,1]=3 7882 B14R1.159 O=C([O-])COCCc1ccccc1Br 34a_100000731337_100020667443 [0,1,0,0,0,1|0,0,1]=3 7883 B14R1.159 O=C([O-])COCCc1ccccc1Cl 34a_100011215284_100020667443 [0,1,0,0,0,1|0,0,1]=3 7884 B14R1.159 O=C([O-])COCCc1ccccc1F 34a_100000753711_100020667443 [0,1,0,0,0,1|0,0,1]=3 7885 B14R1.159 O=C([O-])COCCc1ccccc1I 34a_100010255290_100020667443 [0,1,0,0,0,1|0,0,1]=3 7886 B14R1.159 O=C([O-])CSCCc1ccccc1Br 62a_100012161201_100020667443 [0,1,0,0,0,1|0,0,1]=3 7887 B14R1.159 O=C([O-])CSCCc1ccccc1Br 62a_100020667443_100012161201 [0,1,0,0,0,1|0,0,1]=3 7888 B14R1.159 O=C([O-])CSCCc1ccccc1Cl 62a_100011713703_100020667443 [0,1,0,0,0,1|0,0,1]=3 7889 B14R1.159 O=C([O-])CSCCc1ccccc1Cl 62a_100020667443_100011713703 [0,1,0,0,0,1|0,0,1]=3 7890 B14R1.159 O=C([O-])CSCCc1ccccc1F 62a_100011713696_100020667443 [0,1,0,0,0,1|0,0,1]=3 7891 B14R1.159 O=C([O-])CSCCc1ccccc1F 62a_100020667443_100011713696 [0,1,0,0,0,1|0,0,1]=3 7892 B14R1.159 O=C([O-])CSCCc1ccccc1O 62a_100000722297_100020667443 [0,1,0,0,0,1|0,0,1]=3 7893 B14R1.159 O=C([O-])CSCCc1ccccc1O 62a_100020667443_100000722297 [0,1,0,0,0,1|0,0,1]=3 7894 B14R1.159 O=[N+]([O-])CNCCc1ccccc1Br 34a_100000747383_100000761209 [0,1,0,0,0,1|1,0,1]=4 7895 B14R1.159 O=[N+]([O-])CNCCc1ccccc1Cl 34a_100011207228_100000761209 [0,1,0,0,0,1|1,0,1]=4 7896 B14R1.159 O=[N+]([O-])CNCCc1ccccc1F 34a_100000185272_100000761209 [0,1,0,0,0,1|1,0,1]=4 7897 B14R1.159 O=[N+]([O-])CNCCc1ccccc1O 34a_100011207237_100000761209 [0,1,0,0,0,1|1,0,1]=4 7898 B14R1.159 O=[N+]([O-])COCCc1ccccc1Br 34a_100000731337_100000761209 [0,1,0,0,0,1|1,0,1]=4 7899 B14R1.159 O=[N+]([O-])COCCc1ccccc1Cl 34a_100011215284_100000761209 [0,1,0,0,0,1|1,0,1]=4 7900 B14R1.159 O=[N+]([O-])COCCc1ccccc1F 34a_100000753711_100000761209 [0,1,0,0,0,1|1,0,1]=4 7901 B14R1.159 O=[N+]([O-])COCCc1ccccc1I 34a_100010255290_100000761209 [0,1,0,0,0,1|1,0,1]=4 7902 B14R1.159 O=[N+]([O-])CSCCc1ccccc1Br 62a_100012161201_100000761209 [0,1,0,0,0,1|1,0,1]=4 7903 B14R1.159 O=[N+]([O-])CSCCc1ccccc1Cl 62a_100011713703_100000761209 [0,1,0,0,0,1|1,0,1]=4 7904 B14R1.159 O=[N+]([O-])CSCCc1ccccc1F 62a_100011713696_100000761209 [0,1,0,0,0,1|1,0,1]=4 7905 B14R1.159 O=[N+]([O-])CSCCc1ccccc1O 62a_100000722297_100000761209 [0,1,0,0,0,1|1,0,1]=4 7906 B14R1.159 [13CH3]C(=O)CCCOc1ccccc1Cl 1458a_100000747900_200025704644 [0,1,0,0,0,1|1,0,0]=3 7907 B14R1.420 C=C(Br)CCOC(C)c1ccccc1 34a_100009813270_100000211855 [0,1,0,0,0,1|2,0,0]=4 7908 B14R1.420 C=C(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000730704 [0,1,0,0,0,1|2,0,0]=4 7909 B14R1.420 C=C(C)CCOC(C)c1ccccc1 34a_100000764851_100000211855 [0,1,0,0,0,1|2,0,0]=4 7910 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000730704 [0,1,0,0,0,1|2,0,0]=4 7911 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000730704 [0,1,0,0,0,1|2,0,0]=4 7912 B14R1.420 C=C(C)CCSC(C)c1ccccc1 62a_100000230085_100000730704 [0,1,0,0,0,1|2,0,0]=4 7913 B14R1.420 C=C(C)CCSC(C)c1ccccc1 62a_100000730704_100000230085 [0,1,0,0,0,1|2,0,0]=4 7914 B14R1.420 C=C(C)CNCC(C)c1ccccc1 2230a_100000701038_100000748629 [0,1,0,0,0,1|2,0,0]=4 7915 B14R1.420 C=C(C)CNCC(C)c1ccccc1 34a_100000701038_100000748629 [0,1,0,0,0,1|2,0,0]=4 7916 B14R1.420 C=C(C)CNCC(O)c1ccccc1 2230a_100000210709_100000748629 [0,1,0,0,0,1|2,0,0]=4 7917 B14R1.420 C=C(C)COCC(C)c1ccccc1 34a_100000210245_100000756946 [0,1,0,0,0,1|2,0,0]=4 7918 B14R1.420 C=C(C)COCC(C)c1ccccc1 34a_100011215166_100000748629 [0,1,0,0,0,1|2,0,0]=4 7919 B14R1.420 C=C(C)COCC(C)c1ccccc1 7a_100011215166_100000748629 [0,1,0,0,0,1|2,0,0]=4 7920 B14R1.420 C=C(C)COCC(O)c1ccccc1 34a_100000210245_100000185958 [0,1,0,0,0,1|2,0,0]=4 7921 B14R1.420 C=C(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000748629 [0,1,0,0,0,1|2,0,0]=4 7922 B14R1.420 C=C(C)COC[C@@H](O)c1ccccc1 34a_100000210245_100011933945 [0,1,0,0,0,1|2,0,0]=4 7923 B14R1.420 C=C(C)CSCC(C)c1ccccc1 62a_100000748629_100000756946 [0,1,0,0,0,1|2,0,0]=4 7924 B14R1.420 C=C(C)CSCC(C)c1ccccc1 62a_100000756946_100000211660 [0,1,0,0,0,1|2,0,0]=4 7925 B14R1.420 C=C(C)CSCC(O)c1ccccc1 62a_100000185958_100000211660 [0,1,0,0,0,1|2,0,0]=4 7926 B14R1.420 C=C(C)CSCC(O)c1ccccc1 62a_100000748629_100000185958 [0,1,0,0,0,1|2,0,0]=4 7927 B14R1.420 C=C(C)CSC[C@@H](O)c1ccccc1 62a_100000748629_100011933945 [0,1,0,0,0,1|2,0,0]=4 7928 B14R1.420 C=C(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000211660 [0,1,0,0,0,1|2,0,0]=4 7929 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [0,1,0,0,0,1|1,0,0]=3 7930 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [0,1,0,0,0,1|1,0,0]=3 7931 B14R1.420 C=C(F)CNCC(C)c1ccccc1 2230a_100000701038_100009893438 [0,1,0,0,0,1|2,0,0]=4 7932 B14R1.420 C=C(F)CNCC(C)c1ccccc1 34a_100000701038_100009893438 [0,1,0,0,0,1|2,0,0]=4 7933 B14R1.420 C=C(F)CNCC(O)c1ccccc1 2230a_100000210709_100009893438 [0,1,0,0,0,1|2,0,0]=4 7934 B14R1.420 C=C(F)COCC(C)c1ccccc1 34a_100011215166_100009893438 [0,1,0,0,0,1|2,0,0]=4 7935 B14R1.420 C=C(F)COCC(C)c1ccccc1 34a_200010262243_100000756946 [0,1,0,0,0,1|2,0,0]=4 7936 B14R1.420 C=C(F)COCC(C)c1ccccc1 7a_100011215166_100000042424 [0,1,0,0,0,1|2,0,0]=4 7937 B14R1.420 C=C(F)COCC(O)c1ccccc1 34a_200010262243_100000185958 [0,1,0,0,0,1|2,0,0]=4 7938 B14R1.420 C=C(F)COC[C@@H](N)c1ccccc1 34a_100000751927_100009893438 [0,1,0,0,0,1|2,0,0]=4 7939 B14R1.420 C=C(F)COC[C@@H](O)c1ccccc1 34a_200010262243_100011933945 [0,1,0,0,0,1|2,0,0]=4 7940 B14R1.420 C=C(F)CSCC(C)c1ccccc1 62a_100000042424_100000756946 [0,1,0,0,0,1|2,0,0]=4 7941 B14R1.420 C=C(F)CSCC(C)c1ccccc1 62a_100000756946_100000042424 [0,1,0,0,0,1|2,0,0]=4 7942 B14R1.420 C=C(F)CSCC(O)c1ccccc1 62a_100000042424_100000185958 [0,1,0,0,0,1|2,0,0]=4 7943 B14R1.420 C=C(F)CSCC(O)c1ccccc1 62a_100000185958_100000042424 [0,1,0,0,0,1|2,0,0]=4 7944 B14R1.420 C=C(F)CSC[C@@H](O)c1ccccc1 62a_100000042424_100011933945 [0,1,0,0,0,1|2,0,0]=4 7945 B14R1.420 C=C(F)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000042424 [0,1,0,0,0,1|2,0,0]=4 7946 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [0,1,0,0,0,1|1,0,0]=3 7947 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [0,1,0,0,0,1|1,0,0]=3 7948 B14R1.420 CC(=O)CCCN(C)c1ccccc1 269982a_100000210012_100011215641 [0,1,0,0,0,1|1,0,0]=3 7949 B14R1.420 CC(=O)CCCN(C)c1ccccc1 34a_100000210012_100000685027 [0,1,0,0,0,1|1,0,0]=3 7950 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [0,1,0,0,0,1|1,0,1]=4 7951 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [0,1,0,0,0,1|1,0,1]=4 7952 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,1,0,0,0,1|1,0,1]=4 7953 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [0,1,0,0,0,1|1,0,0]=3 7954 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [0,1,0,0,0,1|1,0,0]=3 7955 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [0,1,0,0,0,1|1,0,0]=3 7956 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000053229_100000230085 [0,1,0,0,0,1|1,0,0]=3 7957 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000053229 [0,1,0,0,0,1|1,0,0]=3 7958 B14R1.420 CC(=O)COCC(C)c1ccccc1 34a_100000211253_100000756946 [0,1,0,0,0,1|1,0,0]=3 7959 B14R1.420 CC(=O)COCC(O)c1ccccc1 34a_100000211253_100000185958 [0,1,0,0,0,1|1,0,0]=3 7960 B14R1.420 CC(=O)COC[C@@H](O)c1ccccc1 34a_100000211253_100011933945 [0,1,0,0,0,1|1,0,0]=3 7961 B14R1.420 CC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_100000189650 [0,1,0,0,0,1|1,0,1]=4 7962 B14R1.420 CC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100015343762 [0,1,0,0,0,1|1,0,0]=3 7963 B14R1.420 CC(=O)NCCC(O)c1ccccc1 527a_100000763605_100103153847 [0,1,0,0,0,1|1,0,0]=3 7964 B14R1.420 CC(=O)NCCN(C)c1ccccc1 2230a_100000210012_100000189650 [0,1,0,0,0,1|2,0,0]=4 7965 B14R1.420 CC(=O)NCCN(C)c1ccccc1 240690a_100000231046_100015343762 [0,1,0,0,0,1|2,0,0]=4 7966 B14R1.420 CC(=O)NCCN(C)c1ccccc1 269982a_100000210012_100000189650 [0,1,0,0,0,1|2,0,0]=4 7967 B14R1.420 CC(=O)NCCN(C)c1ccccc1 527a_100000231046_100103153847 [0,1,0,0,0,1|2,0,0]=4 7968 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,1,0,0,0,1|1,0,1]=4 7969 B14R1.420 CC(=O)OCCN(C)c1ccccc1 269982a_100000210012_100009814007 [0,1,0,0,0,1|2,0,0]=4 7970 B14R1.420 CC(=O)OCCN(C)c1ccccc1 34a_100000210012_100009814007 [0,1,0,0,0,1|2,0,0]=4 7971 B14R1.420 CC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100009813279 [0,1,0,0,0,1|2,0,0]=4 7972 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000076356_100000230085 [0,1,0,0,0,1|2,0,0]=4 7973 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000076356 [0,1,0,0,0,1|2,0,0]=4 7974 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000701038_100000747473 [0,1,0,0,0,1|1,0,0]=3 7975 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000711301_100000756946 [0,1,0,0,0,1|1,0,0]=3 7976 B14R1.420 CC(CNCC(=O)N)c1ccccc1 34a_100000701038_100000187820 [0,1,0,0,0,1|1,0,0]=3 7977 B14R1.420 CC(CNCC(=O)O)c1ccccc1 269956a_100016091260_100000756946 [0,1,0,0,0,1|0,0,0]=2 7978 B14R1.420 CC(CNCC(=O)[O-])c1ccccc1 34a_100000701038_100020667443 [0,1,0,0,0,1|0,0,1]=3 7979 B14R1.420 CC(CNC[C@@H](C)O)c1ccccc1 2230a_100000701038_100009817552 [0,1,0,0,0,1|1,0,1]=4 7980 B14R1.420 CC(CNC[C@@H](C)O)c1ccccc1 34a_100000701038_100009817552 [0,1,0,0,0,1|1,0,1]=4 7981 B14R1.420 CC(CNC[N+](=O)[O-])c1ccccc1 34a_100000701038_100000761209 [0,1,0,0,0,1|1,0,1]=4 7982 B14R1.420 CC(COCC(=O)N)c1ccccc1 34a_100011215166_100000187820 [0,1,0,0,0,1|1,0,0]=3 7983 B14R1.420 CC(COCC(=O)N)c1ccccc1 7a_100011215166_100000187820 [0,1,0,0,0,1|1,0,0]=3 7984 B14R1.420 CC(COCC(=O)[O-])c1ccccc1 34a_100011215166_100020667443 [0,1,0,0,0,1|0,0,1]=3 7985 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 34a_100011215166_100009817552 [0,1,0,0,0,1|1,0,1]=4 7986 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 7a_100011215166_100009817552 [0,1,0,0,0,1|1,0,1]=4 7987 B14R1.420 CC(COC[N+](=O)[O-])c1ccccc1 34a_100011215166_100000761209 [0,1,0,0,0,1|1,0,1]=4 7988 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000747473_100000756946 [0,1,0,0,0,1|1,0,0]=3 7989 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000756946_100000747473 [0,1,0,0,0,1|1,0,0]=3 7990 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100000756946_100020667443 [0,1,0,0,0,1|0,0,1]=3 7991 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100020667443_100000756946 [0,1,0,0,0,1|0,0,1]=3 7992 B14R1.420 CC(CSC[C@@H](C)O)c1ccccc1 62a_100000756946_100009817552 [0,1,0,0,0,1|1,0,1]=4 7993 B14R1.420 CC(CSC[C@@H](C)O)c1ccccc1 62a_100009817552_100000756946 [0,1,0,0,0,1|1,0,1]=4 7994 B14R1.420 CC(CSC[N+](=O)[O-])c1ccccc1 62a_100000756946_100000761209 [0,1,0,0,0,1|1,0,1]=4 7995 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [0,1,0,0,0,1|1,0,0]=3 7996 B14R1.420 CC(NCCC(=O)N)c1ccccn1 2230a_100000181244_100000744528 [0,1,0,0,0,1|2,0,0]=4 7997 B14R1.420 CC(NCCC(=O)N)c1ccccn1 269862a_100000740010_100000210467 [0,1,0,0,0,1|2,0,0]=4 7998 B14R1.420 CC(NCCC(=O)N)c1cccnc1 2230a_100000195435_100000744528 [0,1,0,0,0,1|2,0,0]=4 7999 B14R1.420 CC(NCCC(=O)N)c1cccnc1 269862a_100000740010_100000210468 [0,1,0,0,0,1|2,0,0]=4 8000 B14R1.420 CC(NCCC(=O)N)c1ccncc1 2230a_100000181269_100000744528 [0,1,0,0,0,1|2,0,0]=4 8001 B14R1.420 CC(NCCC(=O)N)c1ccncc1 269862a_100000740010_100000185792 [0,1,0,0,0,1|2,0,0]=4 8002 B14R1.420 CC(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000211855 [0,1,0,0,0,1|1,0,0]=3 8003 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,1,0,0,0,1|1,0,1]=4 8004 B14R1.420 CC(O)CCCN(C)c1ccccc1 2230a_100000210012_200000718107 [0,1,0,0,0,1|1,0,1]=4 8005 B14R1.420 CC(O)CCCN(C)c1ccccc1 269982a_100000210012_200000718107 [0,1,0,0,0,1|1,0,1]=4 8006 B14R1.420 CC(O)CCCN(C)c1ccccc1 34a_100000210012_200000718107 [0,1,0,0,0,1|1,0,1]=4 8007 B14R1.420 CC(O)CCNC(C)c1ccccc1 2230a_200000755665_100000230085 [0,1,0,0,0,1|1,0,1]=4 8008 B14R1.420 CC(O)CCNC(C)c1ccccc1 269862a_200000755665_100000185851 [0,1,0,0,0,1|1,0,1]=4 8009 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100012276601 [0,1,0,0,0,1|1,0,1]=4 8010 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,1,0,0,0,1|1,0,1]=4 8011 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,1,0,0,0,1|1,0,1]=4 8012 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100000230085_100012276601 [0,1,0,0,0,1|1,0,1]=4 8013 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100012276601_100000230085 [0,1,0,0,0,1|1,0,1]=4 8014 B14R1.420 CC(O)CNCC(C)c1ccccc1 2230a_100000210904_100000756946 [0,1,0,0,0,1|1,0,1]=4 8015 B14R1.420 CC(O)CNCC(C)c1ccccc1 2230a_100000701038_100011218427 [0,1,0,0,0,1|1,0,1]=4 8016 B14R1.420 CC(O)CNCC(C)c1ccccc1 270004a_100000210904_100000212034 [0,1,0,0,0,1|1,0,1]=4 8017 B14R1.420 CC(O)CNCC(C)c1ccccc1 34a_100000210904_100000756946 [0,1,0,0,0,1|1,0,1]=4 8018 B14R1.420 CC(O)CNCC(C)c1ccccc1 34a_100000701038_100011218427 [0,1,0,0,0,1|1,0,1]=4 8019 B14R1.420 CC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011218427 [0,1,0,0,0,1|1,0,1]=4 8020 B14R1.420 CC(O)CNCC(O)c1ccccc1 2230a_100000210904_100000185958 [0,1,0,0,0,1|1,0,1]=4 8021 B14R1.420 CC(O)CNCC(O)c1ccccc1 34a_100000210904_100000185958 [0,1,0,0,0,1|1,0,1]=4 8022 B14R1.420 CC(O)CNC[C@@H](O)c1ccccc1 2230a_100000210904_100011933945 [0,1,0,0,0,1|1,0,1]=4 8023 B14R1.420 CC(O)CNC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,1,0,0,0,1|1,0,1]=4 8024 B14R1.420 CC(O)COCC(C)c1ccccc1 34a_100011215166_100011218427 [0,1,0,0,0,1|1,0,1]=4 8025 B14R1.420 CC(O)COCC(C)c1ccccc1 7a_100011215166_100011218427 [0,1,0,0,0,1|1,0,1]=4 8026 B14R1.420 CC(O)COC[C@@H](N)c1ccccc1 34a_100000751927_100011218427 [0,1,0,0,0,1|1,0,1]=4 8027 B14R1.420 CC(O)CSCC(C)c1ccccc1 62a_100000756946_100011218427 [0,1,0,0,0,1|1,0,1]=4 8028 B14R1.420 CC(O)CSCC(C)c1ccccc1 62a_100011218427_100000756946 [0,1,0,0,0,1|1,0,1]=4 8029 B14R1.420 CC(O)CSCC(O)c1ccccc1 62a_100000185958_100011218427 [0,1,0,0,0,1|1,0,1]=4 8030 B14R1.420 CC(O)CSCC(O)c1ccccc1 62a_100011218427_100000185958 [0,1,0,0,0,1|1,0,1]=4 8031 B14R1.420 CC(O)CSC[C@@H](O)c1ccccc1 62a_100011218427_100011933945 [0,1,0,0,0,1|1,0,1]=4 8032 B14R1.420 CC(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011218427 [0,1,0,0,0,1|1,0,1]=4 8033 B14R1.420 CC(OCCC(=O)N)c1ccccc1 34a_100000757172_100000211855 [0,1,0,0,0,1|1,0,0]=3 8034 B14R1.420 CC(OCCC(=O)N)c1ccccc1 7a_100000757172_100000230085 [0,1,0,0,0,1|1,0,0]=3 8035 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000230085_100000744528 [0,1,0,0,0,1|1,0,0]=3 8036 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000744528_100000230085 [0,1,0,0,0,1|1,0,0]=3 8037 B14R1.420 CN(CCCC(=O)N)c1ccccc1 269982a_100000210012_100102525003 [0,1,0,0,0,1|1,0,0]=3 8038 B14R1.420 CN(CCCC(=O)N)c1ccccc1 34a_100000210012_100102525003 [0,1,0,0,0,1|1,0,0]=3 8039 B14R1.420 CN(CCNC(=O)N)c1ccccc1 2230a_100000210012_200000034859 [0,1,0,0,0,1|2,0,0]=4 8040 B14R1.420 CN(CCNC(=O)N)c1ccccc1 269982a_100000210012_200000034859 [0,1,0,0,0,1|2,0,0]=4 8041 B14R1.420 CN(CCOC(=O)N)c1ccccc1 269982a_100000210012_200011214921 [0,1,0,0,0,1|2,0,0]=4 8042 B14R1.420 CN(CCOC(=O)N)c1ccccc1 34a_100000210012_200011214921 [0,1,0,0,0,1|2,0,0]=4 8043 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [0,1,0,0,0,1|1,0,0]=3 8044 B14R1.420 C[C@@H](O)CNCC(O)c1ccccc1 2230a_100000210709_100009817552 [0,1,0,0,0,1|1,0,1]=4 8045 B14R1.420 C[C@@H](O)COC[C@@H](N)c1ccccc1 34a_100000751927_100009817552 [0,1,0,0,0,1|1,0,1]=4 8046 B14R1.420 C[C@@H](O)CSCC(O)c1ccccc1 62a_100000185958_100009817552 [0,1,0,0,0,1|1,0,1]=4 8047 B14R1.420 C[C@@H](O)CSCC(O)c1ccccc1 62a_100009817552_100000185958 [0,1,0,0,0,1|1,0,1]=4 8048 B14R1.420 C[C@@H](O)CSC[C@@H](O)c1ccccc1 62a_100009817552_100011933945 [0,1,0,0,0,1|1,0,1]=4 8049 B14R1.420 C[C@@H](O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009817552 [0,1,0,0,0,1|1,0,1]=4 8050 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 34a_100000761318_100000731001 [0,1,0,0,0,1|1,0,0]=3 8051 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 7a_100000761318_100000744528 [0,1,0,0,0,1|1,0,0]=3 8052 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [0,1,0,0,0,1|1,0,0]=3 8053 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [0,1,0,0,0,1|1,0,1]=4 8054 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [0,1,0,0,0,1|1,0,1]=4 8055 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [0,1,0,0,0,1|1,0,1]=4 8056 B14R1.420 NC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000747473 [0,1,0,0,0,1|1,0,0]=3 8057 B14R1.420 NC(=O)CNCC(O)c1ccccc1 2230a_100000711301_100000185958 [0,1,0,0,0,1|1,0,0]=3 8058 B14R1.420 NC(=O)CNCC(O)c1ccccn1 2230a_100000691469_100000747473 [0,1,0,0,0,1|2,0,0]=4 8059 B14R1.420 NC(=O)CNCC(O)c1cccnc1 2230a_100020605170_100000747473 [0,1,0,0,0,1|2,0,0]=4 8060 B14R1.420 NC(=O)CNC[C@@H](O)c1ccccc1 2230a_100000711301_100011933945 [0,1,0,0,0,1|1,0,0]=3 8061 B14R1.420 NC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000187820 [0,1,0,0,0,1|1,0,0]=3 8062 B14R1.420 NC(=O)COC[C@@H](N)c1ccncc1 34a_100138412524_100000187820 [0,1,0,0,0,1|2,0,0]=4 8063 B14R1.420 NC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747473 [0,1,0,0,0,1|1,0,1]=4 8064 B14R1.420 NC(=O)CSCC(=O)c1ccccc1 62a_100000747473_100000211460 [0,1,0,0,0,1|1,0,1]=4 8065 B14R1.420 NC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000747473 [0,1,0,0,0,1|1,0,0]=3 8066 B14R1.420 NC(=O)CSCC(O)c1ccccc1 62a_100000747473_100000185958 [0,1,0,0,0,1|1,0,0]=3 8067 B14R1.420 NC(=O)CSCS(=O)c1ccccc1 62a_100000747473_100000031784 [0,1,0,0,0,1|2,0,0]=4 8068 B14R1.420 NC(=O)CSC[C@@H](O)c1ccccc1 62a_100000747473_100011933945 [0,1,0,0,0,1|1,0,0]=3 8069 B14R1.420 NC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000747473 [0,1,0,0,0,1|1,0,0]=3 8070 B14R1.420 NC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_200000034859 [0,1,0,0,0,1|1,0,1]=4 8071 B14R1.420 NC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011214921 [0,1,0,0,0,1|1,0,1]=4 8072 B14R1.420 N[C@H](COCC(=O)[O-])c1ccccc1 34a_100000751927_100020667443 [0,1,0,0,0,1|0,0,1]=3 8073 B14R1.420 N[C@H](COCC(=O)[O-])c1ccncc1 34a_100138412524_100020667443 [0,1,0,0,0,1|1,0,1]=4 8074 B14R1.420 N[C@H](COC[N+](=O)[O-])c1ccccc1 34a_100000751927_100000761209 [0,1,0,0,0,1|1,0,1]=4 8075 B14R1.420 O=C(O)CNCC(=O)c1ccccc1 269956a_100016091260_100000211460 [0,1,0,0,0,1|0,0,1]=3 8076 B14R1.420 O=C(O)CNCC(=O)c1ccccn1 269956a_100016091260_100000027445 [0,1,0,0,0,1|1,0,1]=4 8077 B14R1.420 O=C(O)CNCC(=O)c1cccnc1 269956a_100016091260_100000757877 [0,1,0,0,0,1|1,0,1]=4 8078 B14R1.420 O=C(O)CNCC(=O)c1ccncc1 269956a_100016091260_100000027454 [0,1,0,0,0,1|1,0,1]=4 8079 B14R1.420 O=C(O)CNCC(O)c1ccccc1 269956a_100016091260_100000185958 [0,1,0,0,0,1|0,0,0]=2 8080 B14R1.420 O=C(O)CNCS(=O)c1ccccc1 269956a_100016091260_100000031784 [0,1,0,0,0,1|1,0,0]=3 8081 B14R1.420 O=C(O)CNC[C@@H](O)c1ccccc1 269956a_100016091260_100011933945 [0,1,0,0,0,1|0,0,0]=2 8082 B14R1.420 O=C([O-])CSCC(=O)c1ccccc1 62a_100000211460_100020667443 [0,1,0,0,0,1|0,0,2]=4 8083 B14R1.420 O=C([O-])CSCC(=O)c1ccccc1 62a_100020667443_100000211460 [0,1,0,0,0,1|0,0,2]=4 8084 B14R1.420 O=C([O-])CSCC(O)c1ccccc1 62a_100000185958_100020667443 [0,1,0,0,0,1|0,0,1]=3 8085 B14R1.420 O=C([O-])CSCC(O)c1ccccc1 62a_100020667443_100000185958 [0,1,0,0,0,1|0,0,1]=3 8086 B14R1.420 O=C([O-])CSCS(=O)c1ccccc1 62a_100020667443_100000031784 [0,1,0,0,0,1|1,0,1]=4 8087 B14R1.420 O=C([O-])CSC[C@@H](O)c1ccccc1 62a_100011933945_100020667443 [0,1,0,0,0,1|0,0,1]=3 8088 B14R1.420 O=C([O-])CSC[C@@H](O)c1ccccc1 62a_100020667443_100011933945 [0,1,0,0,0,1|0,0,1]=3 8089 B14R1.420 O=[N+]([O-])CSCC(O)c1ccccc1 62a_100000185958_100000761209 [0,1,0,0,0,1|1,0,1]=4 8090 B14R1.420 O=[N+]([O-])CSC[C@@H](O)c1ccccc1 62a_100011933945_100000761209 [0,1,0,0,0,1|1,0,1]=4 8091 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [0,1,0,0,0,1|1,0,1]=4 8092 B14R1.423 C=C(C)CCC(=O)Cc1ccccc1 1458a_200000688413_100015291786 [0,1,0,0,0,1|2,0,0]=4 8093 B14R1.423 C=C(C)CCN(C)Cc1ccccc1 2230a_100000186898_100000730704 [0,1,0,0,0,1|2,0,0]=4 8094 B14R1.423 C=C(C)CCN(C)Cc1ccccc1 269982a_100000186898_100000730704 [0,1,0,0,0,1|2,0,0]=4 8095 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000210245_200011218536 [0,1,0,0,0,1|2,0,0]=4 8096 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000748627_100000748629 [0,1,0,0,0,1|2,0,0]=4 8097 B14R1.423 C=C(C)COC(C)Cc1ccccc1 7a_100000748627_100000748629 [0,1,0,0,0,1|2,0,0]=4 8098 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_100000748629_200011218536 [0,1,0,0,0,1|2,0,0]=4 8099 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_200011218536_100000211660 [0,1,0,0,0,1|2,0,0]=4 8100 B14R1.423 C=C(F)COC(C)Cc1ccccc1 34a_100000748627_100009893438 [0,1,0,0,0,1|2,0,0]=4 8101 B14R1.423 C=C(F)COC(C)Cc1ccccc1 34a_200010262243_200011218536 [0,1,0,0,0,1|2,0,0]=4 8102 B14R1.423 C=C(F)COC(C)Cc1ccccc1 7a_100000748627_100000042424 [0,1,0,0,0,1|2,0,0]=4 8103 B14R1.423 C=C(F)CSC(C)Cc1ccccc1 62a_100000042424_200011218536 [0,1,0,0,0,1|2,0,0]=4 8104 B14R1.423 C=C(F)CSC(C)Cc1ccccc1 62a_200011218536_100000042424 [0,1,0,0,0,1|2,0,0]=4 8105 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,1,0,0,0,1|1,0,1]=4 8106 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,1,0,0,0,1|1,0,1]=4 8107 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [0,1,0,0,0,1|1,0,1]=4 8108 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000070787_100015196923 [0,1,0,0,0,1|1,0,0]=3 8109 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_200000210301 [0,1,0,0,0,1|1,0,0]=3 8110 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000053229 [0,1,0,0,0,1|1,0,0]=3 8111 B14R1.423 CC(=O)CCN(C)Cc1ccccn1 269982a_100000207498_100000053229 [0,1,0,0,0,1|2,0,0]=4 8112 B14R1.423 CC(=O)CCN(C)Cc1cccnc1 269982a_100000184577_100000053229 [0,1,0,0,0,1|2,0,0]=4 8113 B14R1.423 CC(=O)CCN(C)Cc1ccncc1 269982a_100000187231_100000053229 [0,1,0,0,0,1|2,0,0]=4 8114 B14R1.423 CC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200000210301 [0,1,0,0,0,1|1,0,1]=4 8115 B14R1.423 CC(=O)COC(C)Cc1ccccc1 34a_100000211253_200011218536 [0,1,0,0,0,1|1,0,0]=3 8116 B14R1.423 CC(=O)NCC(=O)Cc1ccccc1 1458a_100000194580_100015291786 [0,1,0,0,0,1|1,0,1]=4 8117 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 11a_100000755676_100015343762 [0,1,0,0,0,1|2,0,0]=4 8118 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100015343762 [0,1,0,0,0,1|2,0,0]=4 8119 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 240690a_100000755676_100015343762 [0,1,0,0,0,1|2,0,0]=4 8120 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 527a_100000755676_100103153847 [0,1,0,0,0,1|2,0,0]=4 8121 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,1,0,0,0,1|1,0,0]=3 8122 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,1,0,0,0,1|1,0,0]=3 8123 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [0,1,0,0,0,1|1,0,1]=4 8124 B14R1.423 CC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000076356 [0,1,0,0,0,1|2,0,0]=4 8125 B14R1.423 CC(=O)SCC(=O)Cc1ccccc1 1458a_100000049016_100015291786 [0,1,0,0,0,1|1,0,1]=4 8126 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,1,0,0,0,1|0,0,0]=2 8127 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 34a_100000748627_100000187820 [0,1,0,0,0,1|1,0,0]=3 8128 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 7a_100000748627_100000187820 [0,1,0,0,0,1|1,0,0]=3 8129 B14R1.423 CC(Cc1ccccc1)OCC(=O)[O-] 34a_100000748627_100020667443 [0,1,0,0,0,1|0,0,1]=3 8130 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 34a_100000748627_100009817552 [0,1,0,0,0,1|1,0,1]=4 8131 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 7a_100000748627_100009817552 [0,1,0,0,0,1|1,0,1]=4 8132 B14R1.423 CC(Cc1ccccc1)OC[N+](=O)[O-] 34a_100000748627_100000761209 [0,1,0,0,0,1|1,0,1]=4 8133 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_100000747473_200011218536 [0,1,0,0,0,1|1,0,0]=3 8134 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_200011218536_100000747473 [0,1,0,0,0,1|1,0,0]=3 8135 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_200011218536 [0,1,0,0,0,1|0,0,1]=3 8136 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_200011218536_100020667443 [0,1,0,0,0,1|0,0,1]=3 8137 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_100009817552_200011218536 [0,1,0,0,0,1|1,0,1]=4 8138 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_200011218536_100009817552 [0,1,0,0,0,1|1,0,1]=4 8139 B14R1.423 CC(Cc1ccccc1)SC[N+](=O)[O-] 62a_200011218536_100000761209 [0,1,0,0,0,1|1,0,1]=4 8140 B14R1.423 CC(Cc1ccccn1)NCC(=O)N 2230a_100000238496_100000747473 [0,1,0,0,0,1|2,0,0]=4 8141 B14R1.423 CC(Cc1cccnc1)NCC(=O)N 2230a_100011207255_100000747473 [0,1,0,0,0,1|2,0,0]=4 8142 B14R1.423 CC(O)CCN(C)Cc1ccccc1 2230a_100000186898_100012276601 [0,1,0,0,0,1|1,0,1]=4 8143 B14R1.423 CC(O)CCN(C)Cc1ccccc1 269982a_100000186898_100012276601 [0,1,0,0,0,1|1,0,1]=4 8144 B14R1.423 CC(O)CNC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,1,0,0,0,1|1,0,1]=4 8145 B14R1.423 CC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218427 [0,1,0,0,0,1|1,0,1]=4 8146 B14R1.423 CC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218427 [0,1,0,0,0,1|1,0,1]=4 8147 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_100011218427_200011218536 [0,1,0,0,0,1|1,0,1]=4 8148 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011218427 [0,1,0,0,0,1|1,0,1]=4 8149 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200000210301 [0,1,0,0,0,1|1,0,0]=3 8150 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000186898_100000744528 [0,1,0,0,0,1|1,0,0]=3 8151 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000730477_100015291786 [0,1,0,0,0,1|1,0,0]=3 8152 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200000210301 [0,1,0,0,0,1|1,0,0]=3 8153 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000186898_100000744528 [0,1,0,0,0,1|1,0,0]=3 8154 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 270004a_100000730477_100015611070 [0,1,0,0,0,1|1,0,0]=3 8155 B14R1.423 CN(CCC(=O)N)Cc1ccccn1 2230a_100000207498_100000744528 [0,1,0,0,0,1|2,0,0]=4 8156 B14R1.423 CN(CCC(=O)N)Cc1ccccn1 2230a_100000730477_100000721315 [0,1,0,0,0,1|2,0,0]=4 8157 B14R1.423 CN(CCC(=O)N)Cc1ccccn1 269982a_100000207498_100000744528 [0,1,0,0,0,1|2,0,0]=4 8158 B14R1.423 CN(CCC(=O)N)Cc1ccccn1 270004a_100000730477_100000209966 [0,1,0,0,0,1|2,0,0]=4 8159 B14R1.423 CN(CCC(=O)N)Cc1cccnc1 2230a_100000184577_100000744528 [0,1,0,0,0,1|2,0,0]=4 8160 B14R1.423 CN(CCC(=O)N)Cc1cccnc1 2230a_100000730477_100000741622 [0,1,0,0,0,1|2,0,0]=4 8161 B14R1.423 CN(CCC(=O)N)Cc1cccnc1 269982a_100000184577_100000744528 [0,1,0,0,0,1|2,0,0]=4 8162 B14R1.423 CN(CCC(=O)N)Cc1cccnc1 270004a_100000730477_100000209961 [0,1,0,0,0,1|2,0,0]=4 8163 B14R1.423 CN(CCC(=O)N)Cc1ccncc1 2230a_100000187231_100000744528 [0,1,0,0,0,1|2,0,0]=4 8164 B14R1.423 CN(CCC(=O)N)Cc1ccncc1 2230a_100000730477_100015193705 [0,1,0,0,0,1|2,0,0]=4 8165 B14R1.423 CN(CCC(=O)N)Cc1ccncc1 269982a_100000187231_100000744528 [0,1,0,0,0,1|2,0,0]=4 8166 B14R1.423 CN(CCC(=O)[13CH3])Cc1ccccc1 1458a_100000177486_200025704644 [0,1,0,0,0,1|1,0,0]=3 8167 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [0,1,0,0,0,1|1,0,0]=3 8168 B14R1.423 NC(=O)CCC(=O)Cc1ccccn1 1458a_100011215257_100000721315 [0,1,0,0,0,1|2,0,0]=4 8169 B14R1.423 NC(=O)CCC(=O)Cc1cccnc1 1458a_100011215257_100000733263 [0,1,0,0,0,1|2,0,0]=4 8170 B14R1.423 NC(=O)CCC(=O)Cc1ccncc1 1458a_100011215257_100000705612 [0,1,0,0,0,1|2,0,0]=4 8171 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,1,0,0,0,1|1,0,1]=4 8172 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,1,0,0,0,1|1,0,1]=4 8173 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [0,1,0,0,0,1|1,0,1]=4 8174 B14R1.423 O=C(CC[N+](=O)[O-])Cc1ccccc1 1458a_200000064761_100015291786 [0,1,0,0,0,1|1,0,1]=4 8175 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,1,0,0,0,1|1,0,1]=4 8176 B14R1.423 [13CH3]C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200025704644 [0,1,0,0,0,1|1,0,1]=4 8177 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200025704644 [0,1,0,0,0,1|1,0,0]=3 8178 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200025704644 [0,1,0,0,0,1|1,0,0]=3 8179 B14R1.677 C=C(Br)CCOCc1ccc(cc1)Br 34a_100009813270_100000189115 [0,1,0,0,0,1|2,0,0]=4 8180 B14R1.677 C=C(Br)CCOCc1ccc(cc1)C 34a_100009813270_100000210814 [0,1,0,0,0,1|2,0,0]=4 8181 B14R1.677 C=C(Br)CCOCc1ccc(cc1)Cl 34a_100009813270_100000694040 [0,1,0,0,0,1|2,0,0]=4 8182 B14R1.677 C=C(Br)CCOCc1ccc(cc1)F 34a_100009813270_100000198546 [0,1,0,0,0,1|2,0,0]=4 8183 B14R1.677 C=C(Br)CCOCc1ccc(cc1)I 34a_100009813270_100000189116 [0,1,0,0,0,1|2,0,0]=4 8184 B14R1.677 C=C(C)CCNCc1ccc(cc1)Br 2230a_100000174875_100000730704 [0,1,0,0,0,1|2,0,0]=4 8185 B14R1.677 C=C(C)CCNCc1ccc(cc1)Br 34a_100000174875_100000730704 [0,1,0,0,0,1|2,0,0]=4 8186 B14R1.677 C=C(C)CCNCc1ccc(cc1)C 2230a_100000174908_100000730704 [0,1,0,0,0,1|2,0,0]=4 8187 B14R1.677 C=C(C)CCNCc1ccc(cc1)C 34a_100000174908_100000730704 [0,1,0,0,0,1|2,0,0]=4 8188 B14R1.677 C=C(C)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000730704 [0,1,0,0,0,1|2,0,0]=4 8189 B14R1.677 C=C(C)CCNCc1ccc(cc1)Cl 34a_100000174871_100000730704 [0,1,0,0,0,1|2,0,0]=4 8190 B14R1.677 C=C(C)CCNCc1ccc(cc1)F 2230a_100000174882_100000730704 [0,1,0,0,0,1|2,0,0]=4 8191 B14R1.677 C=C(C)CCNCc1ccc(cc1)F 34a_100000174882_100000730704 [0,1,0,0,0,1|2,0,0]=4 8192 B14R1.677 C=C(C)CCNCc1ccc(cc1)I 2230a_100016989417_100000730704 [0,1,0,0,0,1|2,0,0]=4 8193 B14R1.677 C=C(C)CCNCc1ccc(cc1)I 34a_100016989417_100000730704 [0,1,0,0,0,1|2,0,0]=4 8194 B14R1.677 C=C(C)CCNCc1ccc(cc1)O 34a_100000185549_100000730704 [0,1,0,0,0,1|2,0,0]=4 8195 B14R1.677 C=C(C)CCOCc1ccc(cc1)Br 34a_100000695286_100000730704 [0,1,0,0,0,1|2,0,0]=4 8196 B14R1.677 C=C(C)CCOCc1ccc(cc1)Br 34a_100000764851_100000189115 [0,1,0,0,0,1|2,0,0]=4 8197 B14R1.677 C=C(C)CCOCc1ccc(cc1)C 34a_100000764851_100000210814 [0,1,0,0,0,1|2,0,0]=4 8198 B14R1.677 C=C(C)CCOCc1ccc(cc1)C 34a_100011215236_100000730704 [0,1,0,0,0,1|2,0,0]=4 8199 B14R1.677 C=C(C)CCOCc1ccc(cc1)C 7a_100011215236_100000730704 [0,1,0,0,0,1|2,0,0]=4 8200 B14R1.677 C=C(C)CCOCc1ccc(cc1)Cl 34a_100000211118_100000730704 [0,1,0,0,0,1|2,0,0]=4 8201 B14R1.677 C=C(C)CCOCc1ccc(cc1)Cl 34a_100000764851_100000694040 [0,1,0,0,0,1|2,0,0]=4 8202 B14R1.677 C=C(C)CCOCc1ccc(cc1)Cl 7a_100000211118_100000730704 [0,1,0,0,0,1|2,0,0]=4 8203 B14R1.677 C=C(C)CCOCc1ccc(cc1)F 34a_100000210977_100000730704 [0,1,0,0,0,1|2,0,0]=4 8204 B14R1.677 C=C(C)CCOCc1ccc(cc1)F 34a_100000764851_100000198546 [0,1,0,0,0,1|2,0,0]=4 8205 B14R1.677 C=C(C)CCOCc1ccc(cc1)F 7a_100000210977_100000730704 [0,1,0,0,0,1|2,0,0]=4 8206 B14R1.677 C=C(C)CCOCc1ccc(cc1)I 34a_100000690907_100000730704 [0,1,0,0,0,1|2,0,0]=4 8207 B14R1.677 C=C(C)CCOCc1ccc(cc1)I 34a_100000764851_100000189116 [0,1,0,0,0,1|2,0,0]=4 8208 B14R1.677 C=C(C)CCOCc1ccc(cc1)I 7a_100000690907_100000730704 [0,1,0,0,0,1|2,0,0]=4 8209 B14R1.677 C=C(C)CCOCc1ccc(cc1)N 34a_100011215238_100000730704 [0,1,0,0,0,1|2,0,0]=4 8210 B14R1.677 C=C(C)CCSCc1ccc(cc1)Br 62a_100000189115_100000730704 [0,1,0,0,0,1|2,0,0]=4 8211 B14R1.677 C=C(C)CCSCc1ccc(cc1)Br 62a_100000730704_100000189115 [0,1,0,0,0,1|2,0,0]=4 8212 B14R1.677 C=C(C)CCSCc1ccc(cc1)C 62a_100000210814_100000730704 [0,1,0,0,0,1|2,0,0]=4 8213 B14R1.677 C=C(C)CCSCc1ccc(cc1)C 62a_100000730704_100000210814 [0,1,0,0,0,1|2,0,0]=4 8214 B14R1.677 C=C(C)CCSCc1ccc(cc1)Cl 62a_100000187161_100000730704 [0,1,0,0,0,1|2,0,0]=4 8215 B14R1.677 C=C(C)CCSCc1ccc(cc1)Cl 62a_100000730704_100000187161 [0,1,0,0,0,1|2,0,0]=4 8216 B14R1.677 C=C(C)CCSCc1ccc(cc1)F 62a_100000198546_100000730704 [0,1,0,0,0,1|2,0,0]=4 8217 B14R1.677 C=C(C)CCSCc1ccc(cc1)F 62a_100000730704_100000187164 [0,1,0,0,0,1|2,0,0]=4 8218 B14R1.677 C=C(C)CCSCc1ccc(cc1)I 62a_100000189116_100000730704 [0,1,0,0,0,1|2,0,0]=4 8219 B14R1.677 C=C(C)CCSCc1ccc(cc1)I 62a_100000730704_100000189116 [0,1,0,0,0,1|2,0,0]=4 8220 B14R1.677 C=C(C)CNCCc1ccc(cc1)Br 2230a_100000755846_100000748629 [0,1,0,0,0,1|2,0,0]=4 8221 B14R1.677 C=C(C)CNCCc1ccc(cc1)Br 34a_100000755846_100000748629 [0,1,0,0,0,1|2,0,0]=4 8222 B14R1.677 C=C(C)CNCCc1ccc(cc1)C 2230a_100000705350_100000748629 [0,1,0,0,0,1|2,0,0]=4 8223 B14R1.677 C=C(C)CNCCc1ccc(cc1)C 34a_100000705350_100000748629 [0,1,0,0,0,1|2,0,0]=4 8224 B14R1.677 C=C(C)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000748629 [0,1,0,0,0,1|2,0,0]=4 8225 B14R1.677 C=C(C)CNCCc1ccc(cc1)Cl 34a_100000185265_100000748629 [0,1,0,0,0,1|2,0,0]=4 8226 B14R1.677 C=C(C)CNCCc1ccc(cc1)F 2230a_100000199005_100000748629 [0,1,0,0,0,1|2,0,0]=4 8227 B14R1.677 C=C(C)CNCCc1ccc(cc1)F 34a_100000199005_100000748629 [0,1,0,0,0,1|2,0,0]=4 8228 B14R1.677 C=C(C)CNCCc1ccc(cc1)O 34a_100000743037_100000748629 [0,1,0,0,0,1|2,0,0]=4 8229 B14R1.677 C=C(C)COCCc1ccc(cc1)Br 34a_100000210245_100011740612 [0,1,0,0,0,1|2,0,0]=4 8230 B14R1.677 C=C(C)COCCc1ccc(cc1)Br 34a_100000766406_100000748629 [0,1,0,0,0,1|2,0,0]=4 8231 B14R1.677 C=C(C)COCCc1ccc(cc1)Br 7a_100000766406_100000748629 [0,1,0,0,0,1|2,0,0]=4 8232 B14R1.677 C=C(C)COCCc1ccc(cc1)C 34a_100000210245_100011713686 [0,1,0,0,0,1|2,0,0]=4 8233 B14R1.677 C=C(C)COCCc1ccc(cc1)C 34a_100000756670_100000748629 [0,1,0,0,0,1|2,0,0]=4 8234 B14R1.677 C=C(C)COCCc1ccc(cc1)C 7a_100000756670_100000748629 [0,1,0,0,0,1|2,0,0]=4 8235 B14R1.677 C=C(C)COCCc1ccc(cc1)Cl 34a_100000210245_100011713675 [0,1,0,0,0,1|2,0,0]=4 8236 B14R1.677 C=C(C)COCCc1ccc(cc1)Cl 34a_100011219627_100000748629 [0,1,0,0,0,1|2,0,0]=4 8237 B14R1.677 C=C(C)COCCc1ccc(cc1)Cl 7a_100011219627_100000748629 [0,1,0,0,0,1|2,0,0]=4 8238 B14R1.677 C=C(C)COCCc1ccc(cc1)F 34a_100000210245_100011217392 [0,1,0,0,0,1|2,0,0]=4 8239 B14R1.677 C=C(C)COCCc1ccc(cc1)F 34a_100000754732_100000748629 [0,1,0,0,0,1|2,0,0]=4 8240 B14R1.677 C=C(C)COCCc1ccc(cc1)F 7a_100000754732_100000748629 [0,1,0,0,0,1|2,0,0]=4 8241 B14R1.677 C=C(C)COCCc1ccc(cc1)I 34a_100012291149_100000748629 [0,1,0,0,0,1|2,0,0]=4 8242 B14R1.677 C=C(C)COCCc1ccc(cc1)I 7a_100012291149_100000748629 [0,1,0,0,0,1|2,0,0]=4 8243 B14R1.677 C=C(C)COCCc1ccc(cc1)N 34a_100011204434_100000748629 [0,1,0,0,0,1|2,0,0]=4 8244 B14R1.677 C=C(C)CSCCc1ccc(cc1)Br 62a_100000748629_100011740612 [0,1,0,0,0,1|2,0,0]=4 8245 B14R1.677 C=C(C)CSCCc1ccc(cc1)Br 62a_100011740612_100000211660 [0,1,0,0,0,1|2,0,0]=4 8246 B14R1.677 C=C(C)CSCCc1ccc(cc1)C 62a_100000748629_100011713686 [0,1,0,0,0,1|2,0,0]=4 8247 B14R1.677 C=C(C)CSCCc1ccc(cc1)C 62a_100011713686_100000211660 [0,1,0,0,0,1|2,0,0]=4 8248 B14R1.677 C=C(C)CSCCc1ccc(cc1)Cl 62a_100000748629_100011713675 [0,1,0,0,0,1|2,0,0]=4 8249 B14R1.677 C=C(C)CSCCc1ccc(cc1)Cl 62a_100011713675_100000211660 [0,1,0,0,0,1|2,0,0]=4 8250 B14R1.677 C=C(C)CSCCc1ccc(cc1)F 62a_100000748629_100011217392 [0,1,0,0,0,1|2,0,0]=4 8251 B14R1.677 C=C(C)CSCCc1ccc(cc1)F 62a_100011217392_100000211660 [0,1,0,0,0,1|2,0,0]=4 8252 B14R1.677 C=C(C)CSCCc1ccc(cc1)O 62a_100000748629_100009816426 [0,1,0,0,0,1|2,0,0]=4 8253 B14R1.677 C=C(C)CSCCc1ccc(cc1)O 62a_100009816426_100000211660 [0,1,0,0,0,1|2,0,0]=4 8254 B14R1.677 C=C(F)CNCCc1ccc(cc1)Br 2230a_100000755846_100009893438 [0,1,0,0,0,1|2,0,0]=4 8255 B14R1.677 C=C(F)CNCCc1ccc(cc1)Br 34a_100000755846_100009893438 [0,1,0,0,0,1|2,0,0]=4 8256 B14R1.677 C=C(F)CNCCc1ccc(cc1)C 2230a_100000705350_100009893438 [0,1,0,0,0,1|2,0,0]=4 8257 B14R1.677 C=C(F)CNCCc1ccc(cc1)C 34a_100000705350_100009893438 [0,1,0,0,0,1|2,0,0]=4 8258 B14R1.677 C=C(F)CNCCc1ccc(cc1)Cl 2230a_100000185265_100009893438 [0,1,0,0,0,1|2,0,0]=4 8259 B14R1.677 C=C(F)CNCCc1ccc(cc1)Cl 34a_100000185265_100009893438 [0,1,0,0,0,1|2,0,0]=4 8260 B14R1.677 C=C(F)CNCCc1ccc(cc1)F 2230a_100000199005_100009893438 [0,1,0,0,0,1|2,0,0]=4 8261 B14R1.677 C=C(F)CNCCc1ccc(cc1)F 34a_100000199005_100009893438 [0,1,0,0,0,1|2,0,0]=4 8262 B14R1.677 C=C(F)CNCCc1ccc(cc1)O 34a_100000743037_100009893438 [0,1,0,0,0,1|2,0,0]=4 8263 B14R1.677 C=C(F)COCCc1ccc(cc1)Br 34a_100000766406_100009893438 [0,1,0,0,0,1|2,0,0]=4 8264 B14R1.677 C=C(F)COCCc1ccc(cc1)Br 34a_200010262243_100011740612 [0,1,0,0,0,1|2,0,0]=4 8265 B14R1.677 C=C(F)COCCc1ccc(cc1)Br 7a_100000766406_100000042424 [0,1,0,0,0,1|2,0,0]=4 8266 B14R1.677 C=C(F)COCCc1ccc(cc1)C 34a_100000756670_100009893438 [0,1,0,0,0,1|2,0,0]=4 8267 B14R1.677 C=C(F)COCCc1ccc(cc1)C 34a_200010262243_100011713686 [0,1,0,0,0,1|2,0,0]=4 8268 B14R1.677 C=C(F)COCCc1ccc(cc1)C 7a_100000756670_100000042424 [0,1,0,0,0,1|2,0,0]=4 8269 B14R1.677 C=C(F)COCCc1ccc(cc1)Cl 34a_100011219627_100009893438 [0,1,0,0,0,1|2,0,0]=4 8270 B14R1.677 C=C(F)COCCc1ccc(cc1)Cl 34a_200010262243_100011713675 [0,1,0,0,0,1|2,0,0]=4 8271 B14R1.677 C=C(F)COCCc1ccc(cc1)Cl 7a_100011219627_100000042424 [0,1,0,0,0,1|2,0,0]=4 8272 B14R1.677 C=C(F)COCCc1ccc(cc1)F 34a_100000754732_100009893438 [0,1,0,0,0,1|2,0,0]=4 8273 B14R1.677 C=C(F)COCCc1ccc(cc1)F 34a_200010262243_100011217392 [0,1,0,0,0,1|2,0,0]=4 8274 B14R1.677 C=C(F)COCCc1ccc(cc1)F 7a_100000754732_100000042424 [0,1,0,0,0,1|2,0,0]=4 8275 B14R1.677 C=C(F)COCCc1ccc(cc1)I 34a_100012291149_100009893438 [0,1,0,0,0,1|2,0,0]=4 8276 B14R1.677 C=C(F)COCCc1ccc(cc1)I 7a_100012291149_100000042424 [0,1,0,0,0,1|2,0,0]=4 8277 B14R1.677 C=C(F)COCCc1ccc(cc1)N 34a_100011204434_100009893438 [0,1,0,0,0,1|2,0,0]=4 8278 B14R1.677 C=C(F)CSCCc1ccc(cc1)Br 62a_100000042424_100011740612 [0,1,0,0,0,1|2,0,0]=4 8279 B14R1.677 C=C(F)CSCCc1ccc(cc1)Br 62a_100011740612_100000042424 [0,1,0,0,0,1|2,0,0]=4 8280 B14R1.677 C=C(F)CSCCc1ccc(cc1)C 62a_100000042424_100011713686 [0,1,0,0,0,1|2,0,0]=4 8281 B14R1.677 C=C(F)CSCCc1ccc(cc1)C 62a_100011713686_100000042424 [0,1,0,0,0,1|2,0,0]=4 8282 B14R1.677 C=C(F)CSCCc1ccc(cc1)Cl 62a_100000042424_100011713675 [0,1,0,0,0,1|2,0,0]=4 8283 B14R1.677 C=C(F)CSCCc1ccc(cc1)Cl 62a_100011713675_100000042424 [0,1,0,0,0,1|2,0,0]=4 8284 B14R1.677 C=C(F)CSCCc1ccc(cc1)F 62a_100000042424_100011217392 [0,1,0,0,0,1|2,0,0]=4 8285 B14R1.677 C=C(F)CSCCc1ccc(cc1)F 62a_100011217392_100000042424 [0,1,0,0,0,1|2,0,0]=4 8286 B14R1.677 C=C(F)CSCCc1ccc(cc1)O 62a_100000042424_100009816426 [0,1,0,0,0,1|2,0,0]=4 8287 B14R1.677 C=C(F)CSCCc1ccc(cc1)O 62a_100009816426_100000042424 [0,1,0,0,0,1|2,0,0]=4 8288 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000070787_200012094861 [0,1,0,0,0,1|1,0,0]=3 8289 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200000210301 [0,1,0,0,0,1|1,0,0]=3 8290 B14R1.677 CC(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200000210301 [0,1,0,0,0,1|1,0,0]=3 8291 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000070787_100012093538 [0,1,0,0,0,1|1,0,0]=3 8292 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200000210301 [0,1,0,0,0,1|1,0,0]=3 8293 B14R1.677 CC(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200000210301 [0,1,0,0,0,1|1,0,0]=3 8294 B14R1.677 CC(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200000210301 [0,1,0,0,0,1|1,0,0]=3 8295 B14R1.677 CC(=O)CCCNc1ccc(cc1)Br 34a_100000210018_100000685027 [0,1,0,0,0,1|1,0,0]=3 8296 B14R1.677 CC(=O)CCCNc1ccc(cc1)C 34a_100000124888_100000685027 [0,1,0,0,0,1|1,0,0]=3 8297 B14R1.677 CC(=O)CCCNc1ccc(cc1)Cl 34a_100000210052_100000685027 [0,1,0,0,0,1|1,0,0]=3 8298 B14R1.677 CC(=O)CCCNc1ccc(cc1)F 34a_100000185862_100000685027 [0,1,0,0,0,1|1,0,0]=3 8299 B14R1.677 CC(=O)CCCNc1ccc(cc1)I 34a_100000185761_100000685027 [0,1,0,0,0,1|1,0,0]=3 8300 B14R1.677 CC(=O)CCCNc1ccc(cc1)O 34a_100000185829_100000685027 [0,1,0,0,0,1|1,0,0]=3 8301 B14R1.677 CC(=O)CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000685027 [0,1,0,0,0,1|2,0,0]=4 8302 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 1458a_100000070787_100011259224 [0,1,0,0,0,1|1,0,0]=3 8303 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 1458a_100000183208_200000210301 [0,1,0,0,0,1|1,0,0]=3 8304 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 34a_100000185759_100000685027 [0,1,0,0,0,1|1,0,0]=3 8305 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 7a_100000185759_100011215641 [0,1,0,0,0,1|1,0,0]=3 8306 B14R1.677 CC(=O)CCCOc1ccc(cc1)C 1458a_100000182836_200000210301 [0,1,0,0,0,1|1,0,0]=3 8307 B14R1.677 CC(=O)CCCOc1ccc(cc1)C 34a_100000210336_100000685027 [0,1,0,0,0,1|1,0,0]=3 8308 B14R1.677 CC(=O)CCCOc1ccc(cc1)C 7a_100000210336_100011215641 [0,1,0,0,0,1|1,0,0]=3 8309 B14R1.677 CC(=O)CCCOc1ccc(cc1)Cl 1458a_100000741531_200000210301 [0,1,0,0,0,1|1,0,0]=3 8310 B14R1.677 CC(=O)CCCOc1ccc(cc1)Cl 34a_100000210216_100000685027 [0,1,0,0,0,1|1,0,0]=3 8311 B14R1.677 CC(=O)CCCOc1ccc(cc1)Cl 7a_100000210216_100011215641 [0,1,0,0,0,1|1,0,0]=3 8312 B14R1.677 CC(=O)CCCOc1ccc(cc1)F 1458a_100000070787_100000181347 [0,1,0,0,0,1|1,0,0]=3 8313 B14R1.677 CC(=O)CCCOc1ccc(cc1)F 1458a_100000735736_200000210301 [0,1,0,0,0,1|1,0,0]=3 8314 B14R1.677 CC(=O)CCCOc1ccc(cc1)F 34a_100000210339_100000685027 [0,1,0,0,0,1|1,0,0]=3 8315 B14R1.677 CC(=O)CCCOc1ccc(cc1)I 1458a_100000744034_200000210301 [0,1,0,0,0,1|1,0,0]=3 8316 B14R1.677 CC(=O)CCCOc1ccc(cc1)I 34a_100000212066_100000685027 [0,1,0,0,0,1|1,0,0]=3 8317 B14R1.677 CC(=O)CCCOc1ccc(cc1)I 7a_100000212066_100011215641 [0,1,0,0,0,1|1,0,0]=3 8318 B14R1.677 CC(=O)CCCOc1ccc(cc1)N 34a_100000185829_100000685027 [0,1,0,0,0,1|1,0,0]=3 8319 B14R1.677 CC(=O)CCCOc1ccc(cn1)C 34a_100000759353_100000685027 [0,1,0,0,0,1|2,0,0]=4 8320 B14R1.677 CC(=O)CCCOc1ccc(cn1)Cl 34a_100011215309_100000685027 [0,1,0,0,0,1|2,0,0]=4 8321 B14R1.677 CC(=O)CCCOc1ccc(cn1)F 34a_100000742473_100000685027 [0,1,0,0,0,1|2,0,0]=4 8322 B14R1.677 CC(=O)CCCOc1ccc(cn1)N 34a_100000729260_100000685027 [0,1,0,0,0,1|2,0,0]=4 8323 B14R1.677 CC(=O)CCCOc1ccc(nc1)Br 34a_100000685995_100000685027 [0,1,0,0,0,1|2,0,0]=4 8324 B14R1.677 CC(=O)CCCOc1ccc(nc1)Br 7a_100000685995_100011215641 [0,1,0,0,0,1|2,0,0]=4 8325 B14R1.677 CC(=O)CCCOc1ccc(nc1)C 34a_100000745506_100000685027 [0,1,0,0,0,1|2,0,0]=4 8326 B14R1.677 CC(=O)CCCOc1ccc(nc1)C 7a_100000745506_100011215641 [0,1,0,0,0,1|2,0,0]=4 8327 B14R1.677 CC(=O)CCCOc1ccc(nc1)Cl 34a_100000744096_100000685027 [0,1,0,0,0,1|2,0,0]=4 8328 B14R1.677 CC(=O)CCCOc1ccc(nc1)Cl 7a_100000744096_100011215641 [0,1,0,0,0,1|2,0,0]=4 8329 B14R1.677 CC(=O)CCCOc1ccc(nc1)F 34a_100000688820_100000685027 [0,1,0,0,0,1|2,0,0]=4 8330 B14R1.677 CC(=O)CCCOc1ccc(nc1)F 7a_100000688820_100011215641 [0,1,0,0,0,1|2,0,0]=4 8331 B14R1.677 CC(=O)CCCOc1ccc(nc1)I 34a_100000687607_100000685027 [0,1,0,0,0,1|2,0,0]=4 8332 B14R1.677 CC(=O)CCCOc1ccc(nc1)I 7a_100000687607_100011215641 [0,1,0,0,0,1|2,0,0]=4 8333 B14R1.677 CC(=O)CCCOc1ccc(nc1)N 34a_100015188713_100000685027 [0,1,0,0,0,1|2,0,0]=4 8334 B14R1.677 CC(=O)CCCOc1ccc(nc1)N 7a_100015188713_100011215641 [0,1,0,0,0,1|2,0,0]=4 8335 B14R1.677 CC(=O)CCCSc1cc[n+](cc1)[O-] 62a_100011215641_100000039755 [0,1,0,0,0,1|2,0,0]=4 8336 B14R1.677 CC(=O)CCCSc1ccc(=O)[nH]c1 62a_100000212171_100011215641 [0,1,0,0,0,1|2,0,0]=4 8337 B14R1.677 CC(=O)CCCSc1ccc(=O)[nH]c1 62a_100011215641_100000212171 [0,1,0,0,0,1|2,0,0]=4 8338 B14R1.677 CC(=O)CCCSc1ccc(cc1)Br 1458a_100000753536_200000210301 [0,1,0,0,0,1|1,0,0]=3 8339 B14R1.677 CC(=O)CCCSc1ccc(cc1)Br 62a_100000752885_100011215641 [0,1,0,0,0,1|1,0,0]=3 8340 B14R1.677 CC(=O)CCCSc1ccc(cc1)Br 62a_100011215641_100000752885 [0,1,0,0,0,1|1,0,0]=3 8341 B14R1.677 CC(=O)CCCSc1ccc(cc1)C 62a_100000186775_100011215641 [0,1,0,0,0,1|1,0,0]=3 8342 B14R1.677 CC(=O)CCCSc1ccc(cc1)C 62a_100011215641_100000186775 [0,1,0,0,0,1|1,0,0]=3 8343 B14R1.677 CC(=O)CCCSc1ccc(cc1)Cl 1458a_100000182790_200000210301 [0,1,0,0,0,1|1,0,0]=3 8344 B14R1.677 CC(=O)CCCSc1ccc(cc1)Cl 62a_100000755918_100011215641 [0,1,0,0,0,1|1,0,0]=3 8345 B14R1.677 CC(=O)CCCSc1ccc(cc1)Cl 62a_100011215641_100000755918 [0,1,0,0,0,1|1,0,0]=3 8346 B14R1.677 CC(=O)CCCSc1ccc(cc1)F 62a_100000211213_100011215641 [0,1,0,0,0,1|1,0,0]=3 8347 B14R1.677 CC(=O)CCCSc1ccc(cc1)F 62a_100011215641_100000211213 [0,1,0,0,0,1|1,0,0]=3 8348 B14R1.677 CC(=O)CCCSc1ccc(cc1)N 62a_100000185761_100011215641 [0,1,0,0,0,1|1,0,0]=3 8349 B14R1.677 CC(=O)CCCSc1ccc(cc1)N 62a_100011215641_100000185761 [0,1,0,0,0,1|1,0,0]=3 8350 B14R1.677 CC(=O)CCCSc1ccc(cc1)O 62a_100011215641_100000185759 [0,1,0,0,0,1|1,0,0]=3 8351 B14R1.677 CC(=O)CCCSc1ccc(cn1)Br 62a_100000686858_100011215641 [0,1,0,0,0,1|2,0,0]=4 8352 B14R1.677 CC(=O)CCCSc1ccc(cn1)Br 62a_100011215641_100000686858 [0,1,0,0,0,1|2,0,0]=4 8353 B14R1.677 CC(=O)CCCSc1ccc(cn1)C 62a_100011192072_100011215641 [0,1,0,0,0,1|2,0,0]=4 8354 B14R1.677 CC(=O)CCCSc1ccc(cn1)C 62a_100011215641_100000754016 [0,1,0,0,0,1|2,0,0]=4 8355 B14R1.677 CC(=O)CCCSc1ccc(cn1)Cl 62a_100011215641_100011356976 [0,1,0,0,0,1|2,0,0]=4 8356 B14R1.677 CC(=O)CCCSc1ccc(cn1)Cl 62a_100011356976_100011215641 [0,1,0,0,0,1|2,0,0]=4 8357 B14R1.677 CC(=O)CCCSc1ccc(cn1)F 62a_100000744514_100011215641 [0,1,0,0,0,1|2,0,0]=4 8358 B14R1.677 CC(=O)CCCSc1ccc(cn1)F 62a_100011215641_100000744514 [0,1,0,0,0,1|2,0,0]=4 8359 B14R1.677 CC(=O)CCCSc1ccc(cn1)N 62a_100000737798_100011215641 [0,1,0,0,0,1|2,0,0]=4 8360 B14R1.677 CC(=O)CCCSc1ccc(cn1)N 62a_100011215641_100000737798 [0,1,0,0,0,1|2,0,0]=4 8361 B14R1.677 CC(=O)CCCSc1ccc(cn1)O 62a_100000685995_100011215641 [0,1,0,0,0,1|2,0,0]=4 8362 B14R1.677 CC(=O)CCCSc1ccc(cn1)O 62a_100011215641_100000744096 [0,1,0,0,0,1|2,0,0]=4 8363 B14R1.677 CC(=O)CCCSc1ccc(nc1)Br 62a_100009814638_100011215641 [0,1,0,0,0,1|2,0,0]=4 8364 B14R1.677 CC(=O)CCCSc1ccc(nc1)Br 62a_100011215641_100009814638 [0,1,0,0,0,1|2,0,0]=4 8365 B14R1.677 CC(=O)CCCSc1ccc(nc1)C 62a_100000751577_100011215641 [0,1,0,0,0,1|2,0,0]=4 8366 B14R1.677 CC(=O)CCCSc1ccc(nc1)C 62a_100011215641_100000751577 [0,1,0,0,0,1|2,0,0]=4 8367 B14R1.677 CC(=O)CCCSc1ccc(nc1)Cl 62a_100000034144_100011215641 [0,1,0,0,0,1|2,0,0]=4 8368 B14R1.677 CC(=O)CCCSc1ccc(nc1)Cl 62a_100011215641_100000034144 [0,1,0,0,0,1|2,0,0]=4 8369 B14R1.677 CC(=O)CCCSc1ccc(nc1)F 62a_100000042367_100011215641 [0,1,0,0,0,1|2,0,0]=4 8370 B14R1.677 CC(=O)CCCSc1ccc(nc1)F 62a_100011215641_100000042367 [0,1,0,0,0,1|2,0,0]=4 8371 B14R1.677 CC(=O)CCCSc1ccc(nc1)N 62a_100000187370_100011215641 [0,1,0,0,0,1|2,0,0]=4 8372 B14R1.677 CC(=O)CCCSc1ccc(nc1)N 62a_100011215641_100000187370 [0,1,0,0,0,1|2,0,0]=4 8373 B14R1.677 CC(=O)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000053229 [0,1,0,0,0,1|2,0,0]=4 8374 B14R1.677 CC(=O)CCOCc1ccc(cc1)Br 34a_100000759926_100000189115 [0,1,0,0,0,1|1,0,0]=3 8375 B14R1.677 CC(=O)CCOCc1ccc(cc1)Br 7a_100000759926_100011217064 [0,1,0,0,0,1|1,0,0]=3 8376 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 34a_100000759926_100000210814 [0,1,0,0,0,1|1,0,0]=3 8377 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 7a_100000759926_100000210814 [0,1,0,0,0,1|1,0,0]=3 8378 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 7a_100011215236_100000053229 [0,1,0,0,0,1|1,0,0]=3 8379 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 34a_100000759926_100000694040 [0,1,0,0,0,1|1,0,0]=3 8380 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000053229 [0,1,0,0,0,1|1,0,0]=3 8381 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 7a_100000759926_100000187161 [0,1,0,0,0,1|1,0,0]=3 8382 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 34a_100000759926_100000198546 [0,1,0,0,0,1|1,0,0]=3 8383 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000053229 [0,1,0,0,0,1|1,0,0]=3 8384 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 7a_100000759926_100000198546 [0,1,0,0,0,1|1,0,0]=3 8385 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 34a_100000759926_100000189116 [0,1,0,0,0,1|1,0,0]=3 8386 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000053229 [0,1,0,0,0,1|1,0,0]=3 8387 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 7a_100000759926_100000189116 [0,1,0,0,0,1|1,0,0]=3 8388 B14R1.677 CC(=O)CCOCc1ccc(cn1)Br 34a_100000759926_100000702658 [0,1,0,0,0,1|2,0,0]=4 8389 B14R1.677 CC(=O)CCOCc1ccc(cn1)Br 7a_100000759926_100000702658 [0,1,0,0,0,1|2,0,0]=4 8390 B14R1.677 CC(=O)CCOCc1ccc(cn1)C 34a_100000759926_100000691093 [0,1,0,0,0,1|2,0,0]=4 8391 B14R1.677 CC(=O)CCOCc1ccc(cn1)C 7a_100000759926_100000691093 [0,1,0,0,0,1|2,0,0]=4 8392 B14R1.677 CC(=O)CCOCc1ccc(cn1)Cl 34a_100000759926_100012066911 [0,1,0,0,0,1|2,0,0]=4 8393 B14R1.677 CC(=O)CCOCc1ccc(cn1)Cl 7a_100000759926_100012066911 [0,1,0,0,0,1|2,0,0]=4 8394 B14R1.677 CC(=O)CCOCc1ccc(cn1)F 34a_100000759926_100000703193 [0,1,0,0,0,1|2,0,0]=4 8395 B14R1.677 CC(=O)CCOCc1ccc(cn1)F 7a_100000759926_100000703193 [0,1,0,0,0,1|2,0,0]=4 8396 B14R1.677 CC(=O)CCOCc1ccc(nc1)Br 34a_100000759926_100009831999 [0,1,0,0,0,1|2,0,0]=4 8397 B14R1.677 CC(=O)CCOCc1ccc(nc1)Br 7a_100000759926_100009831999 [0,1,0,0,0,1|2,0,0]=4 8398 B14R1.677 CC(=O)CCOCc1ccc(nc1)Br 7a_100009816760_100000053229 [0,1,0,0,0,1|2,0,0]=4 8399 B14R1.677 CC(=O)CCOCc1ccc(nc1)C 34a_100000759926_100016987292 [0,1,0,0,0,1|2,0,0]=4 8400 B14R1.677 CC(=O)CCOCc1ccc(nc1)C 7a_100000759926_100016987292 [0,1,0,0,0,1|2,0,0]=4 8401 B14R1.677 CC(=O)CCOCc1ccc(nc1)Cl 34a_100000759926_100000735431 [0,1,0,0,0,1|2,0,0]=4 8402 B14R1.677 CC(=O)CCOCc1ccc(nc1)Cl 7a_100000755211_100000053229 [0,1,0,0,0,1|2,0,0]=4 8403 B14R1.677 CC(=O)CCOCc1ccc(nc1)Cl 7a_100000759926_100000735431 [0,1,0,0,0,1|2,0,0]=4 8404 B14R1.677 CC(=O)CCOCc1ccc(nc1)F 34a_100000759926_100000099788 [0,1,0,0,0,1|2,0,0]=4 8405 B14R1.677 CC(=O)CCOCc1ccc(nc1)F 7a_100000759926_100009820150 [0,1,0,0,0,1|2,0,0]=4 8406 B14R1.677 CC(=O)CCSCc1ccc(cc1)Br 62a_100000053229_100000189115 [0,1,0,0,0,1|1,0,0]=3 8407 B14R1.677 CC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000053229 [0,1,0,0,0,1|1,0,0]=3 8408 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 1458a_200000173737_200000210301 [0,1,0,0,0,1|1,0,0]=3 8409 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 62a_100000053229_100000210814 [0,1,0,0,0,1|1,0,0]=3 8410 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 62a_100000210814_100000053229 [0,1,0,0,0,1|1,0,0]=3 8411 B14R1.677 CC(=O)CCSCc1ccc(cc1)Cl 62a_100000053229_100000187161 [0,1,0,0,0,1|1,0,0]=3 8412 B14R1.677 CC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000053229 [0,1,0,0,0,1|1,0,0]=3 8413 B14R1.677 CC(=O)CCSCc1ccc(cc1)F 62a_100000053229_100000187164 [0,1,0,0,0,1|1,0,0]=3 8414 B14R1.677 CC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000053229 [0,1,0,0,0,1|1,0,0]=3 8415 B14R1.677 CC(=O)CCSCc1ccc(cc1)I 62a_100000053229_100000189116 [0,1,0,0,0,1|1,0,0]=3 8416 B14R1.677 CC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000053229 [0,1,0,0,0,1|1,0,0]=3 8417 B14R1.677 CC(=O)CCSCc1ccc(cn1)Br 62a_100000053229_100000702658 [0,1,0,0,0,1|2,0,0]=4 8418 B14R1.677 CC(=O)CCSCc1ccc(cn1)Br 62a_100000702658_100000053229 [0,1,0,0,0,1|2,0,0]=4 8419 B14R1.677 CC(=O)CCSCc1ccc(cn1)C 62a_100000053229_100000691093 [0,1,0,0,0,1|2,0,0]=4 8420 B14R1.677 CC(=O)CCSCc1ccc(cn1)C 62a_100000691093_100000053229 [0,1,0,0,0,1|2,0,0]=4 8421 B14R1.677 CC(=O)CCSCc1ccc(cn1)Cl 62a_100000053229_100000697101 [0,1,0,0,0,1|2,0,0]=4 8422 B14R1.677 CC(=O)CCSCc1ccc(cn1)Cl 62a_100012066911_100000053229 [0,1,0,0,0,1|2,0,0]=4 8423 B14R1.677 CC(=O)CCSCc1ccc(cn1)F 62a_100000053229_100000703193 [0,1,0,0,0,1|2,0,0]=4 8424 B14R1.677 CC(=O)CCSCc1ccc(cn1)F 62a_100000703193_100000053229 [0,1,0,0,0,1|2,0,0]=4 8425 B14R1.677 CC(=O)CCSCc1ccc(nc1)Br 62a_100000053229_100009831999 [0,1,0,0,0,1|2,0,0]=4 8426 B14R1.677 CC(=O)CCSCc1ccc(nc1)Br 62a_100009831999_100000053229 [0,1,0,0,0,1|2,0,0]=4 8427 B14R1.677 CC(=O)CCSCc1ccc(nc1)C 62a_100000053229_100016987292 [0,1,0,0,0,1|2,0,0]=4 8428 B14R1.677 CC(=O)CCSCc1ccc(nc1)C 62a_100016987292_100000053229 [0,1,0,0,0,1|2,0,0]=4 8429 B14R1.677 CC(=O)CCSCc1ccc(nc1)Cl 62a_100000053229_100000735431 [0,1,0,0,0,1|2,0,0]=4 8430 B14R1.677 CC(=O)CCSCc1ccc(nc1)Cl 62a_100000735431_100000053229 [0,1,0,0,0,1|2,0,0]=4 8431 B14R1.677 CC(=O)CCSCc1ccc(nc1)F 62a_100000053229_100000099788 [0,1,0,0,0,1|2,0,0]=4 8432 B14R1.677 CC(=O)CCSCc1ccc(nc1)F 62a_100009820150_100000053229 [0,1,0,0,0,1|2,0,0]=4 8433 B14R1.677 CC(=O)COCCc1ccc(cc1)Br 34a_100000211253_100011740612 [0,1,0,0,0,1|1,0,0]=3 8434 B14R1.677 CC(=O)COCCc1ccc(cc1)C 34a_100000211253_100011713686 [0,1,0,0,0,1|1,0,0]=3 8435 B14R1.677 CC(=O)COCCc1ccc(cc1)Cl 34a_100000211253_100011713675 [0,1,0,0,0,1|1,0,0]=3 8436 B14R1.677 CC(=O)COCCc1ccc(cc1)F 34a_100000211253_100011217392 [0,1,0,0,0,1|1,0,0]=3 8437 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 11a_100011297623_100015343762 [0,1,0,0,0,1|1,0,0]=3 8438 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 1626a_100011297623_100015343762 [0,1,0,0,0,1|1,0,0]=3 8439 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 240690a_100011297623_100015343762 [0,1,0,0,0,1|1,0,0]=3 8440 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 527a_100011297623_100103153847 [0,1,0,0,0,1|1,0,0]=3 8441 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 11a_100011236272_100015343762 [0,1,0,0,0,1|1,0,0]=3 8442 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 1626a_100011236272_100015343762 [0,1,0,0,0,1|1,0,0]=3 8443 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 240690a_100011236272_100015343762 [0,1,0,0,0,1|1,0,0]=3 8444 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 527a_100011236272_100103153847 [0,1,0,0,0,1|1,0,0]=3 8445 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 11a_100000748451_100015343762 [0,1,0,0,0,1|1,0,0]=3 8446 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 1626a_100000748451_100015343762 [0,1,0,0,0,1|1,0,0]=3 8447 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 240690a_100000748451_100015343762 [0,1,0,0,0,1|1,0,0]=3 8448 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 527a_100000748451_100103153847 [0,1,0,0,0,1|1,0,0]=3 8449 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 11a_100025745824_100015343762 [0,1,0,0,0,1|1,0,0]=3 8450 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 1626a_100025745824_100015343762 [0,1,0,0,0,1|1,0,0]=3 8451 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 240690a_100025745824_100015343762 [0,1,0,0,0,1|1,0,0]=3 8452 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 527a_100025745824_100103153847 [0,1,0,0,0,1|1,0,0]=3 8453 B14R1.677 CC(=O)NCCNc1ccc(cc1)Br 2230a_100000210018_100000189650 [0,1,0,0,0,1|2,0,0]=4 8454 B14R1.677 CC(=O)NCCNc1ccc(cc1)Cl 2230a_100000210052_100000189650 [0,1,0,0,0,1|2,0,0]=4 8455 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 11a_100000746992_100015343762 [0,1,0,0,0,1|2,0,0]=4 8456 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 1626a_100000746992_100015343762 [0,1,0,0,0,1|2,0,0]=4 8457 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 240690a_100000746992_100015343762 [0,1,0,0,0,1|2,0,0]=4 8458 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 527a_100000746992_100103153847 [0,1,0,0,0,1|2,0,0]=4 8459 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 7a_100000185759_100000189650 [0,1,0,0,0,1|2,0,0]=4 8460 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 11a_100020666663_100015343762 [0,1,0,0,0,1|2,0,0]=4 8461 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 1626a_100020666663_100015343762 [0,1,0,0,0,1|2,0,0]=4 8462 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 240690a_100020666663_100015343762 [0,1,0,0,0,1|2,0,0]=4 8463 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 527a_100020666663_100103153847 [0,1,0,0,0,1|2,0,0]=4 8464 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 7a_100000210336_100000189650 [0,1,0,0,0,1|2,0,0]=4 8465 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 11a_100000697975_100015343762 [0,1,0,0,0,1|2,0,0]=4 8466 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 1626a_100000697975_100015343762 [0,1,0,0,0,1|2,0,0]=4 8467 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 240690a_100000697975_100015343762 [0,1,0,0,0,1|2,0,0]=4 8468 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 527a_100000697975_100103153847 [0,1,0,0,0,1|2,0,0]=4 8469 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 7a_100000210216_100000189650 [0,1,0,0,0,1|2,0,0]=4 8470 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 11a_100000737420_100015343762 [0,1,0,0,0,1|2,0,0]=4 8471 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 1626a_100000737420_100015343762 [0,1,0,0,0,1|2,0,0]=4 8472 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 240690a_100000737420_100015343762 [0,1,0,0,0,1|2,0,0]=4 8473 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 527a_100000737420_100103153847 [0,1,0,0,0,1|2,0,0]=4 8474 B14R1.677 CC(=O)NCCOc1ccc(cc1)I 7a_100000212066_100000189650 [0,1,0,0,0,1|2,0,0]=4 8475 B14R1.677 CC(=O)NCCOc1ccc(cc1)O 271570a_203496583355_200009814669 [0,1,0,0,0,1|2,0,0]=4 8476 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 240690a_100000184645_100015343762 [0,1,0,0,0,1|2,0,0]=4 8477 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 527a_100000184645_100103153847 [0,1,0,0,0,1|2,0,0]=4 8478 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 62a_100000189650_100000752885 [0,1,0,0,0,1|2,0,0]=4 8479 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 62a_100000752885_100000189650 [0,1,0,0,0,1|2,0,0]=4 8480 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 11a_100000739754_100015343762 [0,1,0,0,0,1|2,0,0]=4 8481 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 240690a_100000739754_100015343762 [0,1,0,0,0,1|2,0,0]=4 8482 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 527a_100000739754_100103153847 [0,1,0,0,0,1|2,0,0]=4 8483 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 62a_100000186775_100000189650 [0,1,0,0,0,1|2,0,0]=4 8484 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 62a_100000189650_100000186775 [0,1,0,0,0,1|2,0,0]=4 8485 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 11a_100000174974_100015343762 [0,1,0,0,0,1|2,0,0]=4 8486 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 240690a_100000174974_100015343762 [0,1,0,0,0,1|2,0,0]=4 8487 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 527a_100000174974_100103153847 [0,1,0,0,0,1|2,0,0]=4 8488 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 62a_100000189650_100000755918 [0,1,0,0,0,1|2,0,0]=4 8489 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 62a_100000755918_100000189650 [0,1,0,0,0,1|2,0,0]=4 8490 B14R1.677 CC(=O)NCCSc1ccc(cc1)F 62a_100000189650_100000211213 [0,1,0,0,0,1|2,0,0]=4 8491 B14R1.677 CC(=O)NCCSc1ccc(cc1)F 62a_100000211213_100000189650 [0,1,0,0,0,1|2,0,0]=4 8492 B14R1.677 CC(=O)NCCSc1ccc(cc1)N 62a_100000185761_100000189650 [0,1,0,0,0,1|2,0,0]=4 8493 B14R1.677 CC(=O)NCCSc1ccc(cc1)N 62a_100000189650_100000185761 [0,1,0,0,0,1|2,0,0]=4 8494 B14R1.677 CC(=O)NCCSc1ccc(cc1)O 62a_100000189650_100000185759 [0,1,0,0,0,1|2,0,0]=4 8495 B14R1.677 CC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_100009814007 [0,1,0,0,0,1|2,0,0]=4 8496 B14R1.677 CC(=O)OCCNc1ccc(cc1)C 34a_100000124888_100009814007 [0,1,0,0,0,1|2,0,0]=4 8497 B14R1.677 CC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_100009814007 [0,1,0,0,0,1|2,0,0]=4 8498 B14R1.677 CC(=O)OCCNc1ccc(cc1)F 34a_100000185862_100009814007 [0,1,0,0,0,1|2,0,0]=4 8499 B14R1.677 CC(=O)OCCNc1ccc(cc1)I 34a_100000185761_100009814007 [0,1,0,0,0,1|2,0,0]=4 8500 B14R1.677 CC(=O)OCCNc1ccc(cc1)O 34a_100000185829_100009814007 [0,1,0,0,0,1|2,0,0]=4 8501 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_100009814007 [0,1,0,0,0,1|2,0,0]=4 8502 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_100009814007 [0,1,0,0,0,1|2,0,0]=4 8503 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 34a_100000210336_100009814007 [0,1,0,0,0,1|2,0,0]=4 8504 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 7a_100000210336_100009814007 [0,1,0,0,0,1|2,0,0]=4 8505 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_100009814007 [0,1,0,0,0,1|2,0,0]=4 8506 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_100009814007 [0,1,0,0,0,1|2,0,0]=4 8507 B14R1.677 CC(=O)OCCOc1ccc(cc1)F 34a_100000210339_100009814007 [0,1,0,0,0,1|2,0,0]=4 8508 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 34a_100000212066_100009814007 [0,1,0,0,0,1|2,0,0]=4 8509 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 7a_100000212066_100009814007 [0,1,0,0,0,1|2,0,0]=4 8510 B14R1.677 CC(=O)OCCOc1ccc(cc1)N 34a_100000185829_100009814007 [0,1,0,0,0,1|2,0,0]=4 8511 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_100009814007 [0,1,0,0,0,1|2,0,0]=4 8512 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100009814007_100000752885 [0,1,0,0,0,1|2,0,0]=4 8513 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100000186775_100009814007 [0,1,0,0,0,1|2,0,0]=4 8514 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100009814007_100000186775 [0,1,0,0,0,1|2,0,0]=4 8515 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_100009814007 [0,1,0,0,0,1|2,0,0]=4 8516 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100009814007_100000755918 [0,1,0,0,0,1|2,0,0]=4 8517 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100000211213_100009814007 [0,1,0,0,0,1|2,0,0]=4 8518 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100009814007_100000211213 [0,1,0,0,0,1|2,0,0]=4 8519 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100000185761_100009814007 [0,1,0,0,0,1|2,0,0]=4 8520 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100009814007_100000185761 [0,1,0,0,0,1|2,0,0]=4 8521 B14R1.677 CC(=O)OCCSc1ccc(cc1)O 62a_100009814007_100000185759 [0,1,0,0,0,1|2,0,0]=4 8522 B14R1.677 CC(=O)OCNCc1ccc(cc1)Br 34a_100000174875_100009813279 [0,1,0,0,0,1|2,0,0]=4 8523 B14R1.677 CC(=O)OCNCc1ccc(cc1)C 34a_100000174908_100009813279 [0,1,0,0,0,1|2,0,0]=4 8524 B14R1.677 CC(=O)OCNCc1ccc(cc1)Cl 34a_100000174871_100009813279 [0,1,0,0,0,1|2,0,0]=4 8525 B14R1.677 CC(=O)OCNCc1ccc(cc1)F 34a_100000174882_100009813279 [0,1,0,0,0,1|2,0,0]=4 8526 B14R1.677 CC(=O)OCNCc1ccc(cc1)I 34a_100016989417_100009813279 [0,1,0,0,0,1|2,0,0]=4 8527 B14R1.677 CC(=O)OCNCc1ccc(cc1)O 34a_100000185549_100009813279 [0,1,0,0,0,1|2,0,0]=4 8528 B14R1.677 CC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_100009813279 [0,1,0,0,0,1|2,0,0]=4 8529 B14R1.677 CC(=O)OCOCc1ccc(cc1)C 34a_100011215236_100009813279 [0,1,0,0,0,1|2,0,0]=4 8530 B14R1.677 CC(=O)OCOCc1ccc(cc1)Cl 34a_100000211118_100009813279 [0,1,0,0,0,1|2,0,0]=4 8531 B14R1.677 CC(=O)OCOCc1ccc(cc1)F 34a_100000210977_100009813279 [0,1,0,0,0,1|2,0,0]=4 8532 B14R1.677 CC(=O)OCOCc1ccc(cc1)I 34a_100000690907_100009813279 [0,1,0,0,0,1|2,0,0]=4 8533 B14R1.677 CC(=O)OCOCc1ccc(cc1)N 34a_100011215238_100009813279 [0,1,0,0,0,1|2,0,0]=4 8534 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000076356_100000189115 [0,1,0,0,0,1|2,0,0]=4 8535 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000076356 [0,1,0,0,0,1|2,0,0]=4 8536 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000076356_100000210814 [0,1,0,0,0,1|2,0,0]=4 8537 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000076356 [0,1,0,0,0,1|2,0,0]=4 8538 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000076356_100000187161 [0,1,0,0,0,1|2,0,0]=4 8539 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000076356 [0,1,0,0,0,1|2,0,0]=4 8540 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000076356_100000187164 [0,1,0,0,0,1|2,0,0]=4 8541 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000076356 [0,1,0,0,0,1|2,0,0]=4 8542 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000076356_100000189116 [0,1,0,0,0,1|2,0,0]=4 8543 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000076356 [0,1,0,0,0,1|2,0,0]=4 8544 B14R1.677 CC(O)CCCNc1ccc(cc1)Br 2230a_100000210018_200000718107 [0,1,0,0,0,1|1,0,1]=4 8545 B14R1.677 CC(O)CCCNc1ccc(cc1)Br 34a_100000210018_200000718107 [0,1,0,0,0,1|1,0,1]=4 8546 B14R1.677 CC(O)CCCNc1ccc(cc1)Cl 2230a_100000210052_200000718107 [0,1,0,0,0,1|1,0,1]=4 8547 B14R1.677 CC(O)CCCNc1ccc(cc1)Cl 34a_100000210052_200000718107 [0,1,0,0,0,1|1,0,1]=4 8548 B14R1.677 CC(O)CCCNc1ccc(cc1)F 34a_100000185862_200000718107 [0,1,0,0,0,1|1,0,1]=4 8549 B14R1.677 CC(O)CCCNc1ccc(cc1)I 34a_100000185761_200000718107 [0,1,0,0,0,1|1,0,1]=4 8550 B14R1.677 CC(O)CCCNc1ccc(cc1)O 34a_100000185829_200000718107 [0,1,0,0,0,1|1,0,1]=4 8551 B14R1.677 CC(O)CCCOc1ccc(cc1)Br 34a_100000185759_200000718107 [0,1,0,0,0,1|1,0,1]=4 8552 B14R1.677 CC(O)CCCOc1ccc(cc1)Br 7a_100000185759_200000718107 [0,1,0,0,0,1|1,0,1]=4 8553 B14R1.677 CC(O)CCCOc1ccc(cc1)Cl 34a_100000210216_200000718107 [0,1,0,0,0,1|1,0,1]=4 8554 B14R1.677 CC(O)CCCOc1ccc(cc1)Cl 7a_100000210216_200000718107 [0,1,0,0,0,1|1,0,1]=4 8555 B14R1.677 CC(O)CCCOc1ccc(cc1)F 34a_100000210339_200000718107 [0,1,0,0,0,1|1,0,1]=4 8556 B14R1.677 CC(O)CCCOc1ccc(cc1)I 34a_100000212066_200000718107 [0,1,0,0,0,1|1,0,1]=4 8557 B14R1.677 CC(O)CCCOc1ccc(cc1)I 7a_100000212066_200000718107 [0,1,0,0,0,1|1,0,1]=4 8558 B14R1.677 CC(O)CCCOc1ccc(cc1)N 34a_100000185829_200000718107 [0,1,0,0,0,1|1,0,1]=4 8559 B14R1.677 CC(O)CCCSc1ccc(cc1)Br 62a_100000752885_200000718107 [0,1,0,0,0,1|1,0,1]=4 8560 B14R1.677 CC(O)CCCSc1ccc(cc1)Br 62a_200000718107_100000752885 [0,1,0,0,0,1|1,0,1]=4 8561 B14R1.677 CC(O)CCCSc1ccc(cc1)Cl 62a_100000755918_200000718107 [0,1,0,0,0,1|1,0,1]=4 8562 B14R1.677 CC(O)CCCSc1ccc(cc1)Cl 62a_200000718107_100000755918 [0,1,0,0,0,1|1,0,1]=4 8563 B14R1.677 CC(O)CCCSc1ccc(cc1)F 62a_100000211213_200000718107 [0,1,0,0,0,1|1,0,1]=4 8564 B14R1.677 CC(O)CCCSc1ccc(cc1)F 62a_200000718107_100000211213 [0,1,0,0,0,1|1,0,1]=4 8565 B14R1.677 CC(O)CCCSc1ccc(cc1)N 62a_100000185761_200000718107 [0,1,0,0,0,1|1,0,1]=4 8566 B14R1.677 CC(O)CCCSc1ccc(cc1)N 62a_200000718107_100000185761 [0,1,0,0,0,1|1,0,1]=4 8567 B14R1.677 CC(O)CCCSc1ccc(cc1)O 62a_200000718107_100000185759 [0,1,0,0,0,1|1,0,1]=4 8568 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 207a_200000755665_100000186029 [0,1,0,0,0,1|1,0,1]=4 8569 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 2230a_100000174875_100012276601 [0,1,0,0,0,1|1,0,1]=4 8570 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 2230a_200000755665_100011217064 [0,1,0,0,0,1|1,0,1]=4 8571 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 270004a_200000755665_100000186029 [0,1,0,0,0,1|1,0,1]=4 8572 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 34a_100000174875_100012276601 [0,1,0,0,0,1|1,0,1]=4 8573 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 207a_200000755665_100000189385 [0,1,0,0,0,1|1,0,1]=4 8574 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 2230a_100000174871_100012276601 [0,1,0,0,0,1|1,0,1]=4 8575 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 2230a_200000755665_100000694040 [0,1,0,0,0,1|1,0,1]=4 8576 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 270004a_200000755665_100000189385 [0,1,0,0,0,1|1,0,1]=4 8577 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 34a_100000174871_100012276601 [0,1,0,0,0,1|1,0,1]=4 8578 B14R1.677 CC(O)CCNCc1ccc(cc1)F 207a_200000755665_100000210084 [0,1,0,0,0,1|1,0,1]=4 8579 B14R1.677 CC(O)CCNCc1ccc(cc1)F 2230a_100000174882_100012276601 [0,1,0,0,0,1|1,0,1]=4 8580 B14R1.677 CC(O)CCNCc1ccc(cc1)F 2230a_200000755665_100000198546 [0,1,0,0,0,1|1,0,1]=4 8581 B14R1.677 CC(O)CCNCc1ccc(cc1)F 270004a_200000755665_100000210084 [0,1,0,0,0,1|1,0,1]=4 8582 B14R1.677 CC(O)CCNCc1ccc(cc1)F 34a_100000174882_100012276601 [0,1,0,0,0,1|1,0,1]=4 8583 B14R1.677 CC(O)CCNCc1ccc(cc1)I 207a_200000755665_100000188517 [0,1,0,0,0,1|1,0,1]=4 8584 B14R1.677 CC(O)CCNCc1ccc(cc1)I 2230a_100016989417_100012276601 [0,1,0,0,0,1|1,0,1]=4 8585 B14R1.677 CC(O)CCNCc1ccc(cc1)I 2230a_200000755665_100000189116 [0,1,0,0,0,1|1,0,1]=4 8586 B14R1.677 CC(O)CCNCc1ccc(cc1)I 34a_100016989417_100012276601 [0,1,0,0,0,1|1,0,1]=4 8587 B14R1.677 CC(O)CCNCc1ccc(cc1)O 34a_100000185549_100012276601 [0,1,0,0,0,1|1,0,1]=4 8588 B14R1.677 CC(O)CCOCc1ccc(cc1)Br 34a_100000695286_100012276601 [0,1,0,0,0,1|1,0,1]=4 8589 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 34a_100000211118_100012276601 [0,1,0,0,0,1|1,0,1]=4 8590 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 7a_100000211118_100012276601 [0,1,0,0,0,1|1,0,1]=4 8591 B14R1.677 CC(O)CCOCc1ccc(cc1)F 34a_100000210977_100012276601 [0,1,0,0,0,1|1,0,1]=4 8592 B14R1.677 CC(O)CCOCc1ccc(cc1)F 7a_100000210977_100012276601 [0,1,0,0,0,1|1,0,1]=4 8593 B14R1.677 CC(O)CCOCc1ccc(cc1)I 34a_100000690907_100012276601 [0,1,0,0,0,1|1,0,1]=4 8594 B14R1.677 CC(O)CCOCc1ccc(cc1)I 7a_100000690907_100012276601 [0,1,0,0,0,1|1,0,1]=4 8595 B14R1.677 CC(O)CCOCc1ccc(cc1)N 34a_100011215238_100012276601 [0,1,0,0,0,1|1,0,1]=4 8596 B14R1.677 CC(O)CCSCc1ccc(cc1)Br 62a_100000189115_100012276601 [0,1,0,0,0,1|1,0,1]=4 8597 B14R1.677 CC(O)CCSCc1ccc(cc1)Br 62a_100012276601_100000189115 [0,1,0,0,0,1|1,0,1]=4 8598 B14R1.677 CC(O)CCSCc1ccc(cc1)Cl 62a_100000187161_100012276601 [0,1,0,0,0,1|1,0,1]=4 8599 B14R1.677 CC(O)CCSCc1ccc(cc1)Cl 62a_100012276601_100000187161 [0,1,0,0,0,1|1,0,1]=4 8600 B14R1.677 CC(O)CCSCc1ccc(cc1)F 62a_100000198546_100012276601 [0,1,0,0,0,1|1,0,1]=4 8601 B14R1.677 CC(O)CCSCc1ccc(cc1)F 62a_100012276601_100000187164 [0,1,0,0,0,1|1,0,1]=4 8602 B14R1.677 CC(O)CCSCc1ccc(cc1)I 62a_100000189116_100012276601 [0,1,0,0,0,1|1,0,1]=4 8603 B14R1.677 CC(O)CCSCc1ccc(cc1)I 62a_100012276601_100000189116 [0,1,0,0,0,1|1,0,1]=4 8604 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 2230a_100000210904_100011740612 [0,1,0,0,0,1|1,0,1]=4 8605 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 2230a_100000755846_100011218427 [0,1,0,0,0,1|1,0,1]=4 8606 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 34a_100000210904_100011740612 [0,1,0,0,0,1|1,0,1]=4 8607 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 34a_100000755846_100011218427 [0,1,0,0,0,1|1,0,1]=4 8608 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011218427 [0,1,0,0,0,1|1,0,1]=4 8609 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 2230a_100000210904_100011713675 [0,1,0,0,0,1|1,0,1]=4 8610 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 34a_100000185265_100011218427 [0,1,0,0,0,1|1,0,1]=4 8611 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 34a_100000210904_100011713675 [0,1,0,0,0,1|1,0,1]=4 8612 B14R1.677 CC(O)CNCCc1ccc(cc1)F 2230a_100000199005_100011218427 [0,1,0,0,0,1|1,0,1]=4 8613 B14R1.677 CC(O)CNCCc1ccc(cc1)F 2230a_100000210904_100011217392 [0,1,0,0,0,1|1,0,1]=4 8614 B14R1.677 CC(O)CNCCc1ccc(cc1)F 34a_100000199005_100011218427 [0,1,0,0,0,1|1,0,1]=4 8615 B14R1.677 CC(O)CNCCc1ccc(cc1)F 34a_100000210904_100011217392 [0,1,0,0,0,1|1,0,1]=4 8616 B14R1.677 CC(O)CNCCc1ccc(cc1)O 2230a_100000210904_100009816426 [0,1,0,0,0,1|1,0,1]=4 8617 B14R1.677 CC(O)CNCCc1ccc(cc1)O 34a_100000743037_100011218427 [0,1,0,0,0,1|1,0,1]=4 8618 B14R1.677 CC(O)COCCc1ccc(cc1)Br 34a_100000766406_100011218427 [0,1,0,0,0,1|1,0,1]=4 8619 B14R1.677 CC(O)COCCc1ccc(cc1)Br 7a_100000766406_100011218427 [0,1,0,0,0,1|1,0,1]=4 8620 B14R1.677 CC(O)COCCc1ccc(cc1)Cl 34a_100011219627_100011218427 [0,1,0,0,0,1|1,0,1]=4 8621 B14R1.677 CC(O)COCCc1ccc(cc1)Cl 7a_100011219627_100011218427 [0,1,0,0,0,1|1,0,1]=4 8622 B14R1.677 CC(O)COCCc1ccc(cc1)F 34a_100000754732_100011218427 [0,1,0,0,0,1|1,0,1]=4 8623 B14R1.677 CC(O)COCCc1ccc(cc1)F 7a_100000754732_100011218427 [0,1,0,0,0,1|1,0,1]=4 8624 B14R1.677 CC(O)COCCc1ccc(cc1)I 34a_100012291149_100011218427 [0,1,0,0,0,1|1,0,1]=4 8625 B14R1.677 CC(O)COCCc1ccc(cc1)I 7a_100012291149_100011218427 [0,1,0,0,0,1|1,0,1]=4 8626 B14R1.677 CC(O)COCCc1ccc(cc1)N 34a_100011204434_100011218427 [0,1,0,0,0,1|1,0,1]=4 8627 B14R1.677 CC(O)CSCCc1ccc(cc1)Br 62a_100011218427_100011740612 [0,1,0,0,0,1|1,0,1]=4 8628 B14R1.677 CC(O)CSCCc1ccc(cc1)Br 62a_100011740612_100011218427 [0,1,0,0,0,1|1,0,1]=4 8629 B14R1.677 CC(O)CSCCc1ccc(cc1)Cl 62a_100011218427_100011713675 [0,1,0,0,0,1|1,0,1]=4 8630 B14R1.677 CC(O)CSCCc1ccc(cc1)Cl 62a_100011713675_100011218427 [0,1,0,0,0,1|1,0,1]=4 8631 B14R1.677 CC(O)CSCCc1ccc(cc1)F 62a_100011217392_100011218427 [0,1,0,0,0,1|1,0,1]=4 8632 B14R1.677 CC(O)CSCCc1ccc(cc1)F 62a_100011218427_100011217392 [0,1,0,0,0,1|1,0,1]=4 8633 B14R1.677 CC(O)CSCCc1ccc(cc1)O 62a_100009816426_100011218427 [0,1,0,0,0,1|1,0,1]=4 8634 B14R1.677 CC(O)CSCCc1ccc(cc1)O 62a_100011218427_100009816426 [0,1,0,0,0,1|1,0,1]=4 8635 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Br 2230a_100000755846_100009817552 [0,1,0,0,0,1|1,0,1]=4 8636 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Br 34a_100000755846_100009817552 [0,1,0,0,0,1|1,0,1]=4 8637 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100009817552 [0,1,0,0,0,1|1,0,1]=4 8638 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Cl 34a_100000185265_100009817552 [0,1,0,0,0,1|1,0,1]=4 8639 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)F 2230a_100000199005_100009817552 [0,1,0,0,0,1|1,0,1]=4 8640 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)F 34a_100000199005_100009817552 [0,1,0,0,0,1|1,0,1]=4 8641 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)O 34a_100000743037_100009817552 [0,1,0,0,0,1|1,0,1]=4 8642 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Br 34a_100000766406_100009817552 [0,1,0,0,0,1|1,0,1]=4 8643 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Br 7a_100000766406_100009817552 [0,1,0,0,0,1|1,0,1]=4 8644 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Cl 34a_100011219627_100009817552 [0,1,0,0,0,1|1,0,1]=4 8645 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Cl 7a_100011219627_100009817552 [0,1,0,0,0,1|1,0,1]=4 8646 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)F 34a_100000754732_100009817552 [0,1,0,0,0,1|1,0,1]=4 8647 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)F 7a_100000754732_100009817552 [0,1,0,0,0,1|1,0,1]=4 8648 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)I 34a_100012291149_100009817552 [0,1,0,0,0,1|1,0,1]=4 8649 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)I 7a_100012291149_100009817552 [0,1,0,0,0,1|1,0,1]=4 8650 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)N 34a_100011204434_100009817552 [0,1,0,0,0,1|1,0,1]=4 8651 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Br 62a_100009817552_100011740612 [0,1,0,0,0,1|1,0,1]=4 8652 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Br 62a_100011740612_100009817552 [0,1,0,0,0,1|1,0,1]=4 8653 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Cl 62a_100009817552_100011713675 [0,1,0,0,0,1|1,0,1]=4 8654 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Cl 62a_100011713675_100009817552 [0,1,0,0,0,1|1,0,1]=4 8655 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)F 62a_100009817552_100011217392 [0,1,0,0,0,1|1,0,1]=4 8656 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)F 62a_100011217392_100009817552 [0,1,0,0,0,1|1,0,1]=4 8657 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)O 62a_100009816426_100009817552 [0,1,0,0,0,1|1,0,1]=4 8658 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)O 62a_100009817552_100009816426 [0,1,0,0,0,1|1,0,1]=4 8659 B14R1.677 C[n+]1ccc(cc1)COCCC(=O)N 34a_100009831711_100000731001 [0,1,0,0,0,1|2,0,0]=4 8660 B14R1.677 Cc1ccc(cc1)CCNCC(=O)N 2230a_100000705350_100000747473 [0,1,0,0,0,1|1,0,0]=3 8661 B14R1.677 Cc1ccc(cc1)CCNCC(=O)N 2230a_100000711301_100011713686 [0,1,0,0,0,1|1,0,0]=3 8662 B14R1.677 Cc1ccc(cc1)CCNCC(=O)N 34a_100000705350_100000187820 [0,1,0,0,0,1|1,0,0]=3 8663 B14R1.677 Cc1ccc(cc1)CCNCC(=O)O 269956a_100016091260_100011713686 [0,1,0,0,0,1|0,0,0]=2 8664 B14R1.677 Cc1ccc(cc1)CCNCC(=O)[O-] 34a_100000705350_100020667443 [0,1,0,0,0,1|0,0,1]=3 8665 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 2230a_100000210904_100011713686 [0,1,0,0,0,1|1,0,1]=4 8666 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 2230a_100000705350_100011218427 [0,1,0,0,0,1|1,0,1]=4 8667 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 34a_100000210904_100011713686 [0,1,0,0,0,1|1,0,1]=4 8668 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 34a_100000705350_100011218427 [0,1,0,0,0,1|1,0,1]=4 8669 B14R1.677 Cc1ccc(cc1)CCNC[C@@H](C)O 2230a_100000705350_100009817552 [0,1,0,0,0,1|1,0,1]=4 8670 B14R1.677 Cc1ccc(cc1)CCNC[C@@H](C)O 34a_100000705350_100009817552 [0,1,0,0,0,1|1,0,1]=4 8671 B14R1.677 Cc1ccc(cc1)CCNC[N+](=O)[O-] 34a_100000705350_100000761209 [0,1,0,0,0,1|1,0,1]=4 8672 B14R1.677 Cc1ccc(cc1)CCOCC(=O)N 34a_100000756670_100000187820 [0,1,0,0,0,1|1,0,0]=3 8673 B14R1.677 Cc1ccc(cc1)CCOCC(=O)N 7a_100000756670_100000187820 [0,1,0,0,0,1|1,0,0]=3 8674 B14R1.677 Cc1ccc(cc1)CCOCC(=O)[O-] 34a_100000756670_100020667443 [0,1,0,0,0,1|0,0,1]=3 8675 B14R1.677 Cc1ccc(cc1)CCOCC(C)O 34a_100000756670_100011218427 [0,1,0,0,0,1|1,0,1]=4 8676 B14R1.677 Cc1ccc(cc1)CCOCC(C)O 7a_100000756670_100011218427 [0,1,0,0,0,1|1,0,1]=4 8677 B14R1.677 Cc1ccc(cc1)CCOC[C@@H](C)O 34a_100000756670_100009817552 [0,1,0,0,0,1|1,0,1]=4 8678 B14R1.677 Cc1ccc(cc1)CCOC[C@@H](C)O 7a_100000756670_100009817552 [0,1,0,0,0,1|1,0,1]=4 8679 B14R1.677 Cc1ccc(cc1)CCOC[N+](=O)[O-] 34a_100000756670_100000761209 [0,1,0,0,0,1|1,0,1]=4 8680 B14R1.677 Cc1ccc(cc1)CCSCC(=O)N 62a_100000747473_100011713686 [0,1,0,0,0,1|1,0,0]=3 8681 B14R1.677 Cc1ccc(cc1)CCSCC(=O)N 62a_100011713686_100000747473 [0,1,0,0,0,1|1,0,0]=3 8682 B14R1.677 Cc1ccc(cc1)CCSCC(=O)[O-] 62a_100011713686_100020667443 [0,1,0,0,0,1|0,0,1]=3 8683 B14R1.677 Cc1ccc(cc1)CCSCC(=O)[O-] 62a_100020667443_100011713686 [0,1,0,0,0,1|0,0,1]=3 8684 B14R1.677 Cc1ccc(cc1)CCSCC(C)O 62a_100011218427_100011713686 [0,1,0,0,0,1|1,0,1]=4 8685 B14R1.677 Cc1ccc(cc1)CCSCC(C)O 62a_100011713686_100011218427 [0,1,0,0,0,1|1,0,1]=4 8686 B14R1.677 Cc1ccc(cc1)CCSC[C@@H](C)O 62a_100009817552_100011713686 [0,1,0,0,0,1|1,0,1]=4 8687 B14R1.677 Cc1ccc(cc1)CCSC[C@@H](C)O 62a_100011713686_100009817552 [0,1,0,0,0,1|1,0,1]=4 8688 B14R1.677 Cc1ccc(cc1)CCSC[N+](=O)[O-] 62a_100011713686_100000761209 [0,1,0,0,0,1|1,0,1]=4 8689 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 207a_100000740010_100000211033 [0,1,0,0,0,1|1,0,0]=3 8690 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 2230a_100000174908_100000744528 [0,1,0,0,0,1|1,0,0]=3 8691 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 34a_100000174908_100000731001 [0,1,0,0,0,1|1,0,0]=3 8692 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 207a_200000755665_100000211033 [0,1,0,0,0,1|1,0,1]=4 8693 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 2230a_100000174908_100012276601 [0,1,0,0,0,1|1,0,1]=4 8694 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 2230a_200000755665_100000210814 [0,1,0,0,0,1|1,0,1]=4 8695 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 270004a_200000755665_100000211033 [0,1,0,0,0,1|1,0,1]=4 8696 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 34a_100000174908_100012276601 [0,1,0,0,0,1|1,0,1]=4 8697 B14R1.677 Cc1ccc(cc1)CNOCC(=O)O 269956a_100000106656_100000210814 [0,1,0,0,0,1|1,0,0]=3 8698 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 34a_100000757172_100000210814 [0,1,0,0,0,1|1,0,0]=3 8699 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 34a_100011215236_100000731001 [0,1,0,0,0,1|1,0,0]=3 8700 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 7a_100000757172_100000210814 [0,1,0,0,0,1|1,0,0]=3 8701 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 7a_100011215236_100000744528 [0,1,0,0,0,1|1,0,0]=3 8702 B14R1.677 Cc1ccc(cc1)COCCC(C)O 34a_100011215236_100012276601 [0,1,0,0,0,1|1,0,1]=4 8703 B14R1.677 Cc1ccc(cc1)COCCC(C)O 7a_100011215236_100012276601 [0,1,0,0,0,1|1,0,1]=4 8704 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N 62a_100000210814_100000744528 [0,1,0,0,0,1|1,0,0]=3 8705 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N 62a_100000744528_100000210814 [0,1,0,0,0,1|1,0,0]=3 8706 B14R1.677 Cc1ccc(cc1)CSCCC(=O)[13CH3] 1458a_200000173737_200025704644 [0,1,0,0,0,1|1,0,0]=3 8707 B14R1.677 Cc1ccc(cc1)CSCCC(C)O 62a_100000210814_100012276601 [0,1,0,0,0,1|1,0,1]=4 8708 B14R1.677 Cc1ccc(cc1)CSCCC(C)O 62a_100012276601_100000210814 [0,1,0,0,0,1|1,0,1]=4 8709 B14R1.677 Cc1ccc(cc1)NCCCC(=O)N 34a_100000124888_100102525003 [0,1,0,0,0,1|1,0,0]=3 8710 B14R1.677 Cc1ccc(cc1)NCCCC(C)O 34a_100000124888_200000718107 [0,1,0,0,0,1|1,0,1]=4 8711 B14R1.677 Cc1ccc(cc1)NCCOC(=O)N 34a_100000124888_200011214921 [0,1,0,0,0,1|2,0,0]=4 8712 B14R1.677 Cc1ccc(cc1)OCCCC(=O)N 34a_100000210336_100102525003 [0,1,0,0,0,1|1,0,0]=3 8713 B14R1.677 Cc1ccc(cc1)OCCCC(=O)N 7a_100000210336_100102525003 [0,1,0,0,0,1|1,0,0]=3 8714 B14R1.677 Cc1ccc(cc1)OCCCC(=O)[13CH3] 1458a_100000182836_200025704644 [0,1,0,0,0,1|1,0,0]=3 8715 B14R1.677 Cc1ccc(cc1)OCCCC(C)O 34a_100000210336_200000718107 [0,1,0,0,0,1|1,0,1]=4 8716 B14R1.677 Cc1ccc(cc1)OCCCC(C)O 7a_100000210336_200000718107 [0,1,0,0,0,1|1,0,1]=4 8717 B14R1.677 Cc1ccc(cc1)OCCNC(=O)N 7a_100000210336_200000034859 [0,1,0,0,0,1|2,0,0]=4 8718 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 34a_100000210336_200011214921 [0,1,0,0,0,1|2,0,0]=4 8719 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 7a_100000210336_200011214921 [0,1,0,0,0,1|2,0,0]=4 8720 B14R1.677 Cc1ccc(cc1)SCCCC(=O)N 62a_100000186775_100102525003 [0,1,0,0,0,1|1,0,0]=3 8721 B14R1.677 Cc1ccc(cc1)SCCCC(=O)N 62a_100102525003_100000186775 [0,1,0,0,0,1|1,0,0]=3 8722 B14R1.677 Cc1ccc(cc1)SCCCC(C)O 62a_100000186775_200000718107 [0,1,0,0,0,1|1,0,1]=4 8723 B14R1.677 Cc1ccc(cc1)SCCCC(C)O 62a_200000718107_100000186775 [0,1,0,0,0,1|1,0,1]=4 8724 B14R1.677 Cc1ccc(cc1)SCCNC(=O)N 62a_100000186775_200000034859 [0,1,0,0,0,1|2,0,0]=4 8725 B14R1.677 Cc1ccc(cc1)SCCNC(=O)N 62a_200000034859_100000186775 [0,1,0,0,0,1|2,0,0]=4 8726 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_100000186775_200011214921 [0,1,0,0,0,1|2,0,0]=4 8727 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_200011214921_100000186775 [0,1,0,0,0,1|2,0,0]=4 8728 B14R1.677 Cc1ccc(cn1)CCOCC(=O)N 34a_100011815783_100000187820 [0,1,0,0,0,1|2,0,0]=4 8729 B14R1.677 Cc1ccc(cn1)CCOCC(=O)[O-] 34a_100011815783_100020667443 [0,1,0,0,0,1|1,0,1]=4 8730 B14R1.677 Cc1ccc(cn1)CNCCC(=O)N 34a_100000740942_100000731001 [0,1,0,0,0,1|2,0,0]=4 8731 B14R1.677 Cc1ccc(cn1)CNOCC(=O)O 269956a_100000106656_100016987292 [0,1,0,0,0,1|2,0,0]=4 8732 B14R1.677 Cc1ccc(cn1)COCCC(=O)N 34a_100000757172_100016987292 [0,1,0,0,0,1|2,0,0]=4 8733 B14R1.677 Cc1ccc(cn1)COCCC(=O)N 34a_100011248133_100000731001 [0,1,0,0,0,1|2,0,0]=4 8734 B14R1.677 Cc1ccc(cn1)COCCC(=O)N 7a_100000757172_100016987292 [0,1,0,0,0,1|2,0,0]=4 8735 B14R1.677 Cc1ccc(cn1)CSCCC(=O)N 62a_100000744528_100016987292 [0,1,0,0,0,1|2,0,0]=4 8736 B14R1.677 Cc1ccc(cn1)CSCCC(=O)N 62a_100016987292_100000744528 [0,1,0,0,0,1|2,0,0]=4 8737 B14R1.677 Cc1ccc(cn1)OCCCC(=O)N 34a_100000745506_100102525003 [0,1,0,0,0,1|2,0,0]=4 8738 B14R1.677 Cc1ccc(cn1)OCCCC(=O)N 7a_100000745506_100102525003 [0,1,0,0,0,1|2,0,0]=4 8739 B14R1.677 Cc1ccc(cn1)SCCCC(=O)N 62a_100000751577_100102525003 [0,1,0,0,0,1|2,0,0]=4 8740 B14R1.677 Cc1ccc(cn1)SCCCC(=O)N 62a_100102525003_100000751577 [0,1,0,0,0,1|2,0,0]=4 8741 B14R1.677 Cc1ccc(nc1)CNCCC(=O)N 207a_100000740010_100000050478 [0,1,0,0,0,1|2,0,0]=4 8742 B14R1.677 Cc1ccc(nc1)CNCCC(=O)N 34a_100015187455_100000731001 [0,1,0,0,0,1|2,0,0]=4 8743 B14R1.677 Cc1ccc(nc1)CNOCC(=O)O 269956a_100000106656_100000691093 [0,1,0,0,0,1|2,0,0]=4 8744 B14R1.677 Cc1ccc(nc1)COCCC(=O)N 34a_100000757172_100000691093 [0,1,0,0,0,1|2,0,0]=4 8745 B14R1.677 Cc1ccc(nc1)COCCC(=O)N 34a_100012001401_100000731001 [0,1,0,0,0,1|2,0,0]=4 8746 B14R1.677 Cc1ccc(nc1)COCCC(=O)N 7a_100000757172_100000691093 [0,1,0,0,0,1|2,0,0]=4 8747 B14R1.677 Cc1ccc(nc1)CSCCC(=O)N 62a_100000691093_100000744528 [0,1,0,0,0,1|2,0,0]=4 8748 B14R1.677 Cc1ccc(nc1)CSCCC(=O)N 62a_100000744528_100000691093 [0,1,0,0,0,1|2,0,0]=4 8749 B14R1.677 Cc1ccc(nc1)OCCCC(=O)N 34a_100000759353_100102525003 [0,1,0,0,0,1|2,0,0]=4 8750 B14R1.677 Cc1ccc(nc1)SCCCC(=O)N 62a_100011192072_100102525003 [0,1,0,0,0,1|2,0,0]=4 8751 B14R1.677 Cc1ccc(nc1)SCCCC(=O)N 62a_100102525003_100000754016 [0,1,0,0,0,1|2,0,0]=4 8752 B14R1.677 NC(=O)CCCNc1ccc(cc1)Br 34a_100000210018_100102525003 [0,1,0,0,0,1|1,0,0]=3 8753 B14R1.677 NC(=O)CCCNc1ccc(cc1)Cl 34a_100000210052_100102525003 [0,1,0,0,0,1|1,0,0]=3 8754 B14R1.677 NC(=O)CCCNc1ccc(cc1)F 34a_100000185862_100102525003 [0,1,0,0,0,1|1,0,0]=3 8755 B14R1.677 NC(=O)CCCNc1ccc(cc1)I 34a_100000185761_100102525003 [0,1,0,0,0,1|1,0,0]=3 8756 B14R1.677 NC(=O)CCCNc1ccc(cc1)O 34a_100000185829_100102525003 [0,1,0,0,0,1|1,0,0]=3 8757 B14R1.677 NC(=O)CCCNc1ccc(cn1)Br 27a_100000739312_100000686858 [0,1,0,0,0,1|2,0,0]=4 8758 B14R1.677 NC(=O)CCCOc1ccc(=O)[nH]c1 34a_100000075641_100102525003 [0,1,0,0,0,1|2,0,0]=4 8759 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br 34a_100000185759_100102525003 [0,1,0,0,0,1|1,0,0]=3 8760 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br 7a_100000185759_100102525003 [0,1,0,0,0,1|1,0,0]=3 8761 B14R1.677 NC(=O)CCCOc1ccc(cc1)Cl 34a_100000210216_100102525003 [0,1,0,0,0,1|1,0,0]=3 8762 B14R1.677 NC(=O)CCCOc1ccc(cc1)Cl 7a_100000210216_100102525003 [0,1,0,0,0,1|1,0,0]=3 8763 B14R1.677 NC(=O)CCCOc1ccc(cc1)F 34a_100000210339_100102525003 [0,1,0,0,0,1|1,0,0]=3 8764 B14R1.677 NC(=O)CCCOc1ccc(cc1)I 34a_100000212066_100102525003 [0,1,0,0,0,1|1,0,0]=3 8765 B14R1.677 NC(=O)CCCOc1ccc(cc1)I 7a_100000212066_100102525003 [0,1,0,0,0,1|1,0,0]=3 8766 B14R1.677 NC(=O)CCCOc1ccc(cc1)N 34a_100000185829_100102525003 [0,1,0,0,0,1|1,0,0]=3 8767 B14R1.677 NC(=O)CCCOc1ccc(cn1)Cl 34a_100011215309_100102525003 [0,1,0,0,0,1|2,0,0]=4 8768 B14R1.677 NC(=O)CCCOc1ccc(cn1)F 34a_100000742473_100102525003 [0,1,0,0,0,1|2,0,0]=4 8769 B14R1.677 NC(=O)CCCOc1ccc(cn1)N 34a_100000729260_100102525003 [0,1,0,0,0,1|2,0,0]=4 8770 B14R1.677 NC(=O)CCCOc1ccc(nc1)Br 34a_100000685995_100102525003 [0,1,0,0,0,1|2,0,0]=4 8771 B14R1.677 NC(=O)CCCOc1ccc(nc1)Br 7a_100000685995_100102525003 [0,1,0,0,0,1|2,0,0]=4 8772 B14R1.677 NC(=O)CCCOc1ccc(nc1)Cl 34a_100000744096_100102525003 [0,1,0,0,0,1|2,0,0]=4 8773 B14R1.677 NC(=O)CCCOc1ccc(nc1)Cl 7a_100000744096_100102525003 [0,1,0,0,0,1|2,0,0]=4 8774 B14R1.677 NC(=O)CCCOc1ccc(nc1)F 34a_100000688820_100102525003 [0,1,0,0,0,1|2,0,0]=4 8775 B14R1.677 NC(=O)CCCOc1ccc(nc1)F 7a_100000688820_100102525003 [0,1,0,0,0,1|2,0,0]=4 8776 B14R1.677 NC(=O)CCCOc1ccc(nc1)I 34a_100000687607_100102525003 [0,1,0,0,0,1|2,0,0]=4 8777 B14R1.677 NC(=O)CCCOc1ccc(nc1)I 7a_100000687607_100102525003 [0,1,0,0,0,1|2,0,0]=4 8778 B14R1.677 NC(=O)CCCOc1ccc(nc1)N 34a_100015188713_100102525003 [0,1,0,0,0,1|2,0,0]=4 8779 B14R1.677 NC(=O)CCCOc1ccc(nc1)N 7a_100015188713_100102525003 [0,1,0,0,0,1|2,0,0]=4 8780 B14R1.677 NC(=O)CCCSc1cc[n+](cc1)[O-] 62a_100102525003_100000039755 [0,1,0,0,0,1|2,0,0]=4 8781 B14R1.677 NC(=O)CCCSc1ccc(=O)[nH]c1 62a_100000212171_100102525003 [0,1,0,0,0,1|2,0,0]=4 8782 B14R1.677 NC(=O)CCCSc1ccc(=O)[nH]c1 62a_100102525003_100000212171 [0,1,0,0,0,1|2,0,0]=4 8783 B14R1.677 NC(=O)CCCSc1ccc(cc1)Br 62a_100000752885_100102525003 [0,1,0,0,0,1|1,0,0]=3 8784 B14R1.677 NC(=O)CCCSc1ccc(cc1)Br 62a_100102525003_100000752885 [0,1,0,0,0,1|1,0,0]=3 8785 B14R1.677 NC(=O)CCCSc1ccc(cc1)Cl 62a_100000755918_100102525003 [0,1,0,0,0,1|1,0,0]=3 8786 B14R1.677 NC(=O)CCCSc1ccc(cc1)Cl 62a_100102525003_100000755918 [0,1,0,0,0,1|1,0,0]=3 8787 B14R1.677 NC(=O)CCCSc1ccc(cc1)F 62a_100000211213_100102525003 [0,1,0,0,0,1|1,0,0]=3 8788 B14R1.677 NC(=O)CCCSc1ccc(cc1)F 62a_100102525003_100000211213 [0,1,0,0,0,1|1,0,0]=3 8789 B14R1.677 NC(=O)CCCSc1ccc(cc1)N 62a_100000185761_100102525003 [0,1,0,0,0,1|1,0,0]=3 8790 B14R1.677 NC(=O)CCCSc1ccc(cc1)N 62a_100102525003_100000185761 [0,1,0,0,0,1|1,0,0]=3 8791 B14R1.677 NC(=O)CCCSc1ccc(cc1)O 62a_100102525003_100000185759 [0,1,0,0,0,1|1,0,0]=3 8792 B14R1.677 NC(=O)CCCSc1ccc(cn1)Br 62a_100000686858_100102525003 [0,1,0,0,0,1|2,0,0]=4 8793 B14R1.677 NC(=O)CCCSc1ccc(cn1)Br 62a_100102525003_100000686858 [0,1,0,0,0,1|2,0,0]=4 8794 B14R1.677 NC(=O)CCCSc1ccc(cn1)Cl 62a_100011356976_100102525003 [0,1,0,0,0,1|2,0,0]=4 8795 B14R1.677 NC(=O)CCCSc1ccc(cn1)Cl 62a_100102525003_100011356976 [0,1,0,0,0,1|2,0,0]=4 8796 B14R1.677 NC(=O)CCCSc1ccc(cn1)F 62a_100000744514_100102525003 [0,1,0,0,0,1|2,0,0]=4 8797 B14R1.677 NC(=O)CCCSc1ccc(cn1)F 62a_100102525003_100000744514 [0,1,0,0,0,1|2,0,0]=4 8798 B14R1.677 NC(=O)CCCSc1ccc(cn1)N 62a_100000737798_100102525003 [0,1,0,0,0,1|2,0,0]=4 8799 B14R1.677 NC(=O)CCCSc1ccc(cn1)N 62a_100102525003_100000737798 [0,1,0,0,0,1|2,0,0]=4 8800 B14R1.677 NC(=O)CCCSc1ccc(cn1)O 62a_100000685995_100102525003 [0,1,0,0,0,1|2,0,0]=4 8801 B14R1.677 NC(=O)CCCSc1ccc(cn1)O 62a_100102525003_100000744096 [0,1,0,0,0,1|2,0,0]=4 8802 B14R1.677 NC(=O)CCCSc1ccc(nc1)Br 62a_100009814638_100102525003 [0,1,0,0,0,1|2,0,0]=4 8803 B14R1.677 NC(=O)CCCSc1ccc(nc1)Br 62a_100102525003_100009814638 [0,1,0,0,0,1|2,0,0]=4 8804 B14R1.677 NC(=O)CCCSc1ccc(nc1)Cl 62a_100000034144_100102525003 [0,1,0,0,0,1|2,0,0]=4 8805 B14R1.677 NC(=O)CCCSc1ccc(nc1)Cl 62a_100102525003_100000034144 [0,1,0,0,0,1|2,0,0]=4 8806 B14R1.677 NC(=O)CCCSc1ccc(nc1)F 62a_100000042367_100102525003 [0,1,0,0,0,1|2,0,0]=4 8807 B14R1.677 NC(=O)CCCSc1ccc(nc1)F 62a_100102525003_100000042367 [0,1,0,0,0,1|2,0,0]=4 8808 B14R1.677 NC(=O)CCCSc1ccc(nc1)N 62a_100000187370_100102525003 [0,1,0,0,0,1|2,0,0]=4 8809 B14R1.677 NC(=O)CCCSc1ccc(nc1)N 62a_100102525003_100000187370 [0,1,0,0,0,1|2,0,0]=4 8810 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 207a_100000740010_100000186029 [0,1,0,0,0,1|1,0,0]=3 8811 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 2230a_100000174875_100000744528 [0,1,0,0,0,1|1,0,0]=3 8812 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 34a_100000174875_100000731001 [0,1,0,0,0,1|1,0,0]=3 8813 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 207a_100000740010_100000189385 [0,1,0,0,0,1|1,0,0]=3 8814 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000744528 [0,1,0,0,0,1|1,0,0]=3 8815 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 34a_100000174871_100000731001 [0,1,0,0,0,1|1,0,0]=3 8816 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 207a_100000740010_100000210084 [0,1,0,0,0,1|1,0,0]=3 8817 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 2230a_100000174882_100000744528 [0,1,0,0,0,1|1,0,0]=3 8818 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 34a_100000174882_100000731001 [0,1,0,0,0,1|1,0,0]=3 8819 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 207a_100000740010_100000188517 [0,1,0,0,0,1|1,0,0]=3 8820 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 2230a_100016989417_100000744528 [0,1,0,0,0,1|1,0,0]=3 8821 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 34a_100016989417_100000731001 [0,1,0,0,0,1|1,0,0]=3 8822 B14R1.677 NC(=O)CCNCc1ccc(cc1)O 34a_100000185549_100000731001 [0,1,0,0,0,1|1,0,0]=3 8823 B14R1.677 NC(=O)CCNCc1ccc(cn1)Br 207a_100000740010_100000754260 [0,1,0,0,0,1|2,0,0]=4 8824 B14R1.677 NC(=O)CCNCc1ccc(cn1)Br 34a_100015188789_100000731001 [0,1,0,0,0,1|2,0,0]=4 8825 B14R1.677 NC(=O)CCNCc1ccc(cn1)Cl 207a_100000740010_100011361569 [0,1,0,0,0,1|2,0,0]=4 8826 B14R1.677 NC(=O)CCNCc1ccc(cn1)Cl 34a_100000697193_100000731001 [0,1,0,0,0,1|2,0,0]=4 8827 B14R1.677 NC(=O)CCNCc1ccc(cn1)F 207a_100000740010_100011934744 [0,1,0,0,0,1|2,0,0]=4 8828 B14R1.677 NC(=O)CCNCc1ccc(cn1)F 34a_100020620131_100000731001 [0,1,0,0,0,1|2,0,0]=4 8829 B14R1.677 NC(=O)CCNCc1ccc(nc1)Br 2230a_100009817727_100000744528 [0,1,0,0,0,1|2,0,0]=4 8830 B14R1.677 NC(=O)CCNCc1ccc(nc1)Br 34a_100009817727_100000731001 [0,1,0,0,0,1|2,0,0]=4 8831 B14R1.677 NC(=O)CCNCc1ccc(nc1)Cl 2230a_100000735879_100000744528 [0,1,0,0,0,1|2,0,0]=4 8832 B14R1.677 NC(=O)CCNCc1ccc(nc1)Cl 34a_100000735879_100000731001 [0,1,0,0,0,1|2,0,0]=4 8833 B14R1.677 NC(=O)CCNCc1ccc(nc1)F 2230a_100000101913_100000744528 [0,1,0,0,0,1|2,0,0]=4 8834 B14R1.677 NC(=O)CCNCc1ccc(nc1)F 34a_100000101913_100000731001 [0,1,0,0,0,1|2,0,0]=4 8835 B14R1.677 NC(=O)CCNCc1ccc(nc1)O 207a_100000740010_100011361521 [0,1,0,0,0,1|2,0,0]=4 8836 B14R1.677 NC(=O)CCNCc1ccc(nc1)O 2230a_100000757128_100000744528 [0,1,0,0,0,1|2,0,0]=4 8837 B14R1.677 NC(=O)CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000731001 [0,1,0,0,0,1|2,0,0]=4 8838 B14R1.677 NC(=O)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000744528 [0,1,0,0,0,1|2,0,0]=4 8839 B14R1.677 NC(=O)CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000731001 [0,1,0,0,0,1|2,0,0]=4 8840 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000695286_100000731001 [0,1,0,0,0,1|1,0,0]=3 8841 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000757172_100000189115 [0,1,0,0,0,1|1,0,0]=3 8842 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 7a_100000757172_100011217064 [0,1,0,0,0,1|1,0,0]=3 8843 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 34a_100000211118_100000731001 [0,1,0,0,0,1|1,0,0]=3 8844 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 34a_100000757172_100000694040 [0,1,0,0,0,1|1,0,0]=3 8845 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000744528 [0,1,0,0,0,1|1,0,0]=3 8846 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 7a_100000757172_100000187161 [0,1,0,0,0,1|1,0,0]=3 8847 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 34a_100000210977_100000731001 [0,1,0,0,0,1|1,0,0]=3 8848 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 34a_100000757172_100000198546 [0,1,0,0,0,1|1,0,0]=3 8849 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000744528 [0,1,0,0,0,1|1,0,0]=3 8850 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 7a_100000757172_100000198546 [0,1,0,0,0,1|1,0,0]=3 8851 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 34a_100000690907_100000731001 [0,1,0,0,0,1|1,0,0]=3 8852 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 34a_100000757172_100000189116 [0,1,0,0,0,1|1,0,0]=3 8853 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000744528 [0,1,0,0,0,1|1,0,0]=3 8854 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 7a_100000757172_100000189116 [0,1,0,0,0,1|1,0,0]=3 8855 B14R1.677 NC(=O)CCOCc1ccc(cc1)N 34a_100011215238_100000731001 [0,1,0,0,0,1|1,0,0]=3 8856 B14R1.677 NC(=O)CCOCc1ccc(cn1)Br 34a_100000754261_100000731001 [0,1,0,0,0,1|2,0,0]=4 8857 B14R1.677 NC(=O)CCOCc1ccc(cn1)Br 34a_100000757172_100000702658 [0,1,0,0,0,1|2,0,0]=4 8858 B14R1.677 NC(=O)CCOCc1ccc(cn1)Br 7a_100000757172_100000702658 [0,1,0,0,0,1|2,0,0]=4 8859 B14R1.677 NC(=O)CCOCc1ccc(cn1)Cl 34a_100000703999_100000731001 [0,1,0,0,0,1|2,0,0]=4 8860 B14R1.677 NC(=O)CCOCc1ccc(cn1)Cl 34a_100000757172_100012066911 [0,1,0,0,0,1|2,0,0]=4 8861 B14R1.677 NC(=O)CCOCc1ccc(cn1)Cl 7a_100000757172_100012066911 [0,1,0,0,0,1|2,0,0]=4 8862 B14R1.677 NC(=O)CCOCc1ccc(cn1)F 34a_100000757172_100000703193 [0,1,0,0,0,1|2,0,0]=4 8863 B14R1.677 NC(=O)CCOCc1ccc(cn1)F 34a_100011999454_100000731001 [0,1,0,0,0,1|2,0,0]=4 8864 B14R1.677 NC(=O)CCOCc1ccc(cn1)F 7a_100000757172_100000703193 [0,1,0,0,0,1|2,0,0]=4 8865 B14R1.677 NC(=O)CCOCc1ccc(cn1)N 34a_100011998161_100000731001 [0,1,0,0,0,1|2,0,0]=4 8866 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 34a_100000757172_100009831999 [0,1,0,0,0,1|2,0,0]=4 8867 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 34a_100009816760_100000731001 [0,1,0,0,0,1|2,0,0]=4 8868 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 7a_100000757172_100009831999 [0,1,0,0,0,1|2,0,0]=4 8869 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 7a_100009816760_100000744528 [0,1,0,0,0,1|2,0,0]=4 8870 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 34a_100000755211_100000731001 [0,1,0,0,0,1|2,0,0]=4 8871 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 34a_100000757172_100000735431 [0,1,0,0,0,1|2,0,0]=4 8872 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 7a_100000755211_100000744528 [0,1,0,0,0,1|2,0,0]=4 8873 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 7a_100000757172_100000735431 [0,1,0,0,0,1|2,0,0]=4 8874 B14R1.677 NC(=O)CCOCc1ccc(nc1)F 34a_100000079959_100000731001 [0,1,0,0,0,1|2,0,0]=4 8875 B14R1.677 NC(=O)CCOCc1ccc(nc1)F 34a_100000757172_100000099788 [0,1,0,0,0,1|2,0,0]=4 8876 B14R1.677 NC(=O)CCOCc1ccc(nc1)F 7a_100000757172_100009820150 [0,1,0,0,0,1|2,0,0]=4 8877 B14R1.677 NC(=O)CCOCc1ccc(nc1)N 34a_100000704267_100000731001 [0,1,0,0,0,1|2,0,0]=4 8878 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000744528 [0,1,0,0,0,1|1,0,0]=3 8879 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000744528_100000189115 [0,1,0,0,0,1|1,0,0]=3 8880 B14R1.677 NC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000744528 [0,1,0,0,0,1|1,0,0]=3 8881 B14R1.677 NC(=O)CCSCc1ccc(cc1)Cl 62a_100000744528_100000187161 [0,1,0,0,0,1|1,0,0]=3 8882 B14R1.677 NC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000744528 [0,1,0,0,0,1|1,0,0]=3 8883 B14R1.677 NC(=O)CCSCc1ccc(cc1)F 62a_100000744528_100000187164 [0,1,0,0,0,1|1,0,0]=3 8884 B14R1.677 NC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000744528 [0,1,0,0,0,1|1,0,0]=3 8885 B14R1.677 NC(=O)CCSCc1ccc(cc1)I 62a_100000744528_100000189116 [0,1,0,0,0,1|1,0,0]=3 8886 B14R1.677 NC(=O)CCSCc1ccc(cn1)Br 62a_100000702658_100000744528 [0,1,0,0,0,1|2,0,0]=4 8887 B14R1.677 NC(=O)CCSCc1ccc(cn1)Br 62a_100000744528_100000702658 [0,1,0,0,0,1|2,0,0]=4 8888 B14R1.677 NC(=O)CCSCc1ccc(cn1)Cl 62a_100000744528_100000697101 [0,1,0,0,0,1|2,0,0]=4 8889 B14R1.677 NC(=O)CCSCc1ccc(cn1)Cl 62a_100012066911_100000744528 [0,1,0,0,0,1|2,0,0]=4 8890 B14R1.677 NC(=O)CCSCc1ccc(cn1)F 62a_100000703193_100000744528 [0,1,0,0,0,1|2,0,0]=4 8891 B14R1.677 NC(=O)CCSCc1ccc(cn1)F 62a_100000744528_100000703193 [0,1,0,0,0,1|2,0,0]=4 8892 B14R1.677 NC(=O)CCSCc1ccc(nc1)Br 62a_100000744528_100009831999 [0,1,0,0,0,1|2,0,0]=4 8893 B14R1.677 NC(=O)CCSCc1ccc(nc1)Br 62a_100009831999_100000744528 [0,1,0,0,0,1|2,0,0]=4 8894 B14R1.677 NC(=O)CCSCc1ccc(nc1)Cl 62a_100000735431_100000744528 [0,1,0,0,0,1|2,0,0]=4 8895 B14R1.677 NC(=O)CCSCc1ccc(nc1)Cl 62a_100000744528_100000735431 [0,1,0,0,0,1|2,0,0]=4 8896 B14R1.677 NC(=O)CCSCc1ccc(nc1)F 62a_100000744528_100000099788 [0,1,0,0,0,1|2,0,0]=4 8897 B14R1.677 NC(=O)CCSCc1ccc(nc1)F 62a_100009820150_100000744528 [0,1,0,0,0,1|2,0,0]=4 8898 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 2230a_100000711301_100011740612 [0,1,0,0,0,1|1,0,0]=3 8899 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 2230a_100000755846_100000747473 [0,1,0,0,0,1|1,0,0]=3 8900 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 34a_100000755846_100000187820 [0,1,0,0,0,1|1,0,0]=3 8901 B14R1.677 NC(=O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000747473 [0,1,0,0,0,1|1,0,0]=3 8902 B14R1.677 NC(=O)CNCCc1ccc(cc1)Cl 2230a_100000711301_100011713675 [0,1,0,0,0,1|1,0,0]=3 8903 B14R1.677 NC(=O)CNCCc1ccc(cc1)Cl 34a_100000185265_100000187820 [0,1,0,0,0,1|1,0,0]=3 8904 B14R1.677 NC(=O)CNCCc1ccc(cc1)F 2230a_100000199005_100000747473 [0,1,0,0,0,1|1,0,0]=3 8905 B14R1.677 NC(=O)CNCCc1ccc(cc1)F 2230a_100000711301_100011217392 [0,1,0,0,0,1|1,0,0]=3 8906 B14R1.677 NC(=O)CNCCc1ccc(cc1)F 34a_100000199005_100000187820 [0,1,0,0,0,1|1,0,0]=3 8907 B14R1.677 NC(=O)CNCCc1ccc(cc1)O 2230a_100000711301_100009816426 [0,1,0,0,0,1|1,0,0]=3 8908 B14R1.677 NC(=O)CNCCc1ccc(cc1)O 34a_100000743037_100000187820 [0,1,0,0,0,1|1,0,0]=3 8909 B14R1.677 NC(=O)COCCc1ccc(cc1)Br 34a_100000766406_100000187820 [0,1,0,0,0,1|1,0,0]=3 8910 B14R1.677 NC(=O)COCCc1ccc(cc1)Br 7a_100000766406_100000187820 [0,1,0,0,0,1|1,0,0]=3 8911 B14R1.677 NC(=O)COCCc1ccc(cc1)Cl 34a_100011219627_100000187820 [0,1,0,0,0,1|1,0,0]=3 8912 B14R1.677 NC(=O)COCCc1ccc(cc1)Cl 7a_100011219627_100000187820 [0,1,0,0,0,1|1,0,0]=3 8913 B14R1.677 NC(=O)COCCc1ccc(cc1)F 34a_100000754732_100000187820 [0,1,0,0,0,1|1,0,0]=3 8914 B14R1.677 NC(=O)COCCc1ccc(cc1)F 7a_100000754732_100000187820 [0,1,0,0,0,1|1,0,0]=3 8915 B14R1.677 NC(=O)COCCc1ccc(cc1)I 34a_100012291149_100000187820 [0,1,0,0,0,1|1,0,0]=3 8916 B14R1.677 NC(=O)COCCc1ccc(cc1)I 7a_100012291149_100000187820 [0,1,0,0,0,1|1,0,0]=3 8917 B14R1.677 NC(=O)COCCc1ccc(cc1)N 34a_100011204434_100000187820 [0,1,0,0,0,1|1,0,0]=3 8918 B14R1.677 NC(=O)COCCc1ccc(cn1)Br 34a_100012357577_100000187820 [0,1,0,0,0,1|2,0,0]=4 8919 B14R1.677 NC(=O)COCCc1ccc(nc1)Cl 34a_100009880866_100000187820 [0,1,0,0,0,1|2,0,0]=4 8920 B14R1.677 NC(=O)COCCc1ccc(nc1)Cl 7a_100009880866_100000187820 [0,1,0,0,0,1|2,0,0]=4 8921 B14R1.677 NC(=O)CSCCc1ccc(cc1)Br 62a_100000747473_100011740612 [0,1,0,0,0,1|1,0,0]=3 8922 B14R1.677 NC(=O)CSCCc1ccc(cc1)Br 62a_100011740612_100000747473 [0,1,0,0,0,1|1,0,0]=3 8923 B14R1.677 NC(=O)CSCCc1ccc(cc1)Cl 62a_100000747473_100011713675 [0,1,0,0,0,1|1,0,0]=3 8924 B14R1.677 NC(=O)CSCCc1ccc(cc1)Cl 62a_100011713675_100000747473 [0,1,0,0,0,1|1,0,0]=3 8925 B14R1.677 NC(=O)CSCCc1ccc(cc1)F 62a_100000747473_100011217392 [0,1,0,0,0,1|1,0,0]=3 8926 B14R1.677 NC(=O)CSCCc1ccc(cc1)F 62a_100011217392_100000747473 [0,1,0,0,0,1|1,0,0]=3 8927 B14R1.677 NC(=O)CSCCc1ccc(cc1)O 62a_100000747473_100009816426 [0,1,0,0,0,1|1,0,0]=3 8928 B14R1.677 NC(=O)CSCCc1ccc(cc1)O 62a_100009816426_100000747473 [0,1,0,0,0,1|1,0,0]=3 8929 B14R1.677 NC(=O)NCCNc1ccc(cc1)Br 2230a_100000210018_200000034859 [0,1,0,0,0,1|2,0,0]=4 8930 B14R1.677 NC(=O)NCCNc1ccc(cc1)Cl 2230a_100000210052_200000034859 [0,1,0,0,0,1|2,0,0]=4 8931 B14R1.677 NC(=O)NCCOc1ccc(cc1)Br 7a_100000185759_200000034859 [0,1,0,0,0,1|2,0,0]=4 8932 B14R1.677 NC(=O)NCCOc1ccc(cc1)Cl 7a_100000210216_200000034859 [0,1,0,0,0,1|2,0,0]=4 8933 B14R1.677 NC(=O)NCCOc1ccc(cc1)I 7a_100000212066_200000034859 [0,1,0,0,0,1|2,0,0]=4 8934 B14R1.677 NC(=O)NCCSc1ccc(cc1)Br 62a_100000752885_200000034859 [0,1,0,0,0,1|2,0,0]=4 8935 B14R1.677 NC(=O)NCCSc1ccc(cc1)Br 62a_200000034859_100000752885 [0,1,0,0,0,1|2,0,0]=4 8936 B14R1.677 NC(=O)NCCSc1ccc(cc1)Cl 62a_100000755918_200000034859 [0,1,0,0,0,1|2,0,0]=4 8937 B14R1.677 NC(=O)NCCSc1ccc(cc1)Cl 62a_200000034859_100000755918 [0,1,0,0,0,1|2,0,0]=4 8938 B14R1.677 NC(=O)NCCSc1ccc(cc1)F 62a_100000211213_200000034859 [0,1,0,0,0,1|2,0,0]=4 8939 B14R1.677 NC(=O)NCCSc1ccc(cc1)F 62a_200000034859_100000211213 [0,1,0,0,0,1|2,0,0]=4 8940 B14R1.677 NC(=O)NCCSc1ccc(cc1)N 62a_100000185761_200000034859 [0,1,0,0,0,1|2,0,0]=4 8941 B14R1.677 NC(=O)NCCSc1ccc(cc1)N 62a_200000034859_100000185761 [0,1,0,0,0,1|2,0,0]=4 8942 B14R1.677 NC(=O)NCCSc1ccc(cc1)O 62a_200000034859_100000185759 [0,1,0,0,0,1|2,0,0]=4 8943 B14R1.677 NC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_200011214921 [0,1,0,0,0,1|2,0,0]=4 8944 B14R1.677 NC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_200011214921 [0,1,0,0,0,1|2,0,0]=4 8945 B14R1.677 NC(=O)OCCNc1ccc(cc1)F 34a_100000185862_200011214921 [0,1,0,0,0,1|2,0,0]=4 8946 B14R1.677 NC(=O)OCCNc1ccc(cc1)I 34a_100000185761_200011214921 [0,1,0,0,0,1|2,0,0]=4 8947 B14R1.677 NC(=O)OCCNc1ccc(cc1)O 34a_100000185829_200011214921 [0,1,0,0,0,1|2,0,0]=4 8948 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_200011214921 [0,1,0,0,0,1|2,0,0]=4 8949 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_200011214921 [0,1,0,0,0,1|2,0,0]=4 8950 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_200011214921 [0,1,0,0,0,1|2,0,0]=4 8951 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_200011214921 [0,1,0,0,0,1|2,0,0]=4 8952 B14R1.677 NC(=O)OCCOc1ccc(cc1)F 34a_100000210339_200011214921 [0,1,0,0,0,1|2,0,0]=4 8953 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 34a_100000212066_200011214921 [0,1,0,0,0,1|2,0,0]=4 8954 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 7a_100000212066_200011214921 [0,1,0,0,0,1|2,0,0]=4 8955 B14R1.677 NC(=O)OCCOc1ccc(cc1)N 34a_100000185829_200011214921 [0,1,0,0,0,1|2,0,0]=4 8956 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_200011214921 [0,1,0,0,0,1|2,0,0]=4 8957 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_200011214921_100000752885 [0,1,0,0,0,1|2,0,0]=4 8958 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_200011214921 [0,1,0,0,0,1|2,0,0]=4 8959 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_200011214921_100000755918 [0,1,0,0,0,1|2,0,0]=4 8960 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_100000211213_200011214921 [0,1,0,0,0,1|2,0,0]=4 8961 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_200011214921_100000211213 [0,1,0,0,0,1|2,0,0]=4 8962 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_100000185761_200011214921 [0,1,0,0,0,1|2,0,0]=4 8963 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_200011214921_100000185761 [0,1,0,0,0,1|2,0,0]=4 8964 B14R1.677 NC(=O)OCCSc1ccc(cc1)O 62a_200011214921_100000185759 [0,1,0,0,0,1|2,0,0]=4 8965 B14R1.677 Nc1ccc(cc1)CCOCC(=O)[O-] 34a_100011204434_100020667443 [0,1,0,0,0,1|0,0,1]=3 8966 B14R1.677 Nc1ccc(cc1)CCOC[N+](=O)[O-] 34a_100011204434_100000761209 [0,1,0,0,0,1|1,0,1]=4 8967 B14R1.677 O=C(O)CNCCc1ccc(cc1)Br 269956a_100016091260_100011740612 [0,1,0,0,0,1|0,0,0]=2 8968 B14R1.677 O=C(O)CNCCc1ccc(cc1)Cl 269956a_100016091260_100011713675 [0,1,0,0,0,1|0,0,0]=2 8969 B14R1.677 O=C(O)CNCCc1ccc(cc1)F 269956a_100016091260_100011217392 [0,1,0,0,0,1|0,0,0]=2 8970 B14R1.677 O=C(O)CNCCc1ccc(cc1)O 269956a_100016091260_100009816426 [0,1,0,0,0,1|0,0,0]=2 8971 B14R1.677 O=C(O)CONCc1ccc(cc1)Br 269956a_100000106656_100011217064 [0,1,0,0,0,1|1,0,0]=3 8972 B14R1.677 O=C(O)CONCc1ccc(cc1)Cl 269956a_100000106656_100000187161 [0,1,0,0,0,1|1,0,0]=3 8973 B14R1.677 O=C(O)CONCc1ccc(cc1)F 269956a_100000106656_100000198546 [0,1,0,0,0,1|1,0,0]=3 8974 B14R1.677 O=C(O)CONCc1ccc(cc1)I 269956a_100000106656_100000189116 [0,1,0,0,0,1|1,0,0]=3 8975 B14R1.677 O=C(O)CONCc1ccc(cn1)Br 269956a_100000106656_100000702658 [0,1,0,0,0,1|2,0,0]=4 8976 B14R1.677 O=C(O)CONCc1ccc(cn1)Cl 269956a_100000106656_100012066911 [0,1,0,0,0,1|2,0,0]=4 8977 B14R1.677 O=C(O)CONCc1ccc(cn1)F 269956a_100000106656_100000703193 [0,1,0,0,0,1|2,0,0]=4 8978 B14R1.677 O=C(O)CONCc1ccc(nc1)Br 269956a_100000106656_100009831999 [0,1,0,0,0,1|2,0,0]=4 8979 B14R1.677 O=C(O)CONCc1ccc(nc1)Cl 269956a_100000106656_100000735431 [0,1,0,0,0,1|2,0,0]=4 8980 B14R1.677 O=C(O)CONCc1ccc(nc1)F 269956a_100000106656_100009820150 [0,1,0,0,0,1|2,0,0]=4 8981 B14R1.677 O=C([O-])CNCCc1ccc(cc1)Br 34a_100000755846_100020667443 [0,1,0,0,0,1|0,0,1]=3 8982 B14R1.677 O=C([O-])CNCCc1ccc(cc1)Cl 34a_100000185265_100020667443 [0,1,0,0,0,1|0,0,1]=3 8983 B14R1.677 O=C([O-])CNCCc1ccc(cc1)F 34a_100000199005_100020667443 [0,1,0,0,0,1|0,0,1]=3 8984 B14R1.677 O=C([O-])CNCCc1ccc(cc1)O 34a_100000743037_100020667443 [0,1,0,0,0,1|0,0,1]=3 8985 B14R1.677 O=C([O-])COCCc1ccc(cc1)Br 34a_100000766406_100020667443 [0,1,0,0,0,1|0,0,1]=3 8986 B14R1.677 O=C([O-])COCCc1ccc(cc1)Cl 34a_100011219627_100020667443 [0,1,0,0,0,1|0,0,1]=3 8987 B14R1.677 O=C([O-])COCCc1ccc(cc1)F 34a_100000754732_100020667443 [0,1,0,0,0,1|0,0,1]=3 8988 B14R1.677 O=C([O-])COCCc1ccc(cc1)I 34a_100012291149_100020667443 [0,1,0,0,0,1|0,0,1]=3 8989 B14R1.677 O=C([O-])COCCc1ccc(cn1)Br 34a_100012357577_100020667443 [0,1,0,0,0,1|1,0,1]=4 8990 B14R1.677 O=C([O-])COCCc1ccc(nc1)Cl 34a_100009880866_100020667443 [0,1,0,0,0,1|1,0,1]=4 8991 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Br 62a_100011740612_100020667443 [0,1,0,0,0,1|0,0,1]=3 8992 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Br 62a_100020667443_100011740612 [0,1,0,0,0,1|0,0,1]=3 8993 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Cl 62a_100011713675_100020667443 [0,1,0,0,0,1|0,0,1]=3 8994 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Cl 62a_100020667443_100011713675 [0,1,0,0,0,1|0,0,1]=3 8995 B14R1.677 O=C([O-])CSCCc1ccc(cc1)F 62a_100011217392_100020667443 [0,1,0,0,0,1|0,0,1]=3 8996 B14R1.677 O=C([O-])CSCCc1ccc(cc1)F 62a_100020667443_100011217392 [0,1,0,0,0,1|0,0,1]=3 8997 B14R1.677 O=C([O-])CSCCc1ccc(cc1)O 62a_100009816426_100020667443 [0,1,0,0,0,1|0,0,1]=3 8998 B14R1.677 O=C([O-])CSCCc1ccc(cc1)O 62a_100020667443_100009816426 [0,1,0,0,0,1|0,0,1]=3 8999 B14R1.677 O=[N+]([O-])CNCCc1ccc(cc1)Br 34a_100000755846_100000761209 [0,1,0,0,0,1|1,0,1]=4 9000 B14R1.677 O=[N+]([O-])CNCCc1ccc(cc1)Cl 34a_100000185265_100000761209 [0,1,0,0,0,1|1,0,1]=4 9001 B14R1.677 O=[N+]([O-])CNCCc1ccc(cc1)F 34a_100000199005_100000761209 [0,1,0,0,0,1|1,0,1]=4 9002 B14R1.677 O=[N+]([O-])CNCCc1ccc(cc1)O 34a_100000743037_100000761209 [0,1,0,0,0,1|1,0,1]=4 9003 B14R1.677 O=[N+]([O-])COCCc1ccc(cc1)Br 34a_100000766406_100000761209 [0,1,0,0,0,1|1,0,1]=4 9004 B14R1.677 O=[N+]([O-])COCCc1ccc(cc1)Cl 34a_100011219627_100000761209 [0,1,0,0,0,1|1,0,1]=4 9005 B14R1.677 O=[N+]([O-])COCCc1ccc(cc1)F 34a_100000754732_100000761209 [0,1,0,0,0,1|1,0,1]=4 9006 B14R1.677 O=[N+]([O-])COCCc1ccc(cc1)I 34a_100012291149_100000761209 [0,1,0,0,0,1|1,0,1]=4 9007 B14R1.677 O=[N+]([O-])CSCCc1ccc(cc1)Br 62a_100011740612_100000761209 [0,1,0,0,0,1|1,0,1]=4 9008 B14R1.677 O=[N+]([O-])CSCCc1ccc(cc1)Cl 62a_100011713675_100000761209 [0,1,0,0,0,1|1,0,1]=4 9009 B14R1.677 O=[N+]([O-])CSCCc1ccc(cc1)F 62a_100011217392_100000761209 [0,1,0,0,0,1|1,0,1]=4 9010 B14R1.677 O=[N+]([O-])CSCCc1ccc(cc1)O 62a_100009816426_100000761209 [0,1,0,0,0,1|1,0,1]=4 9011 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200025704644 [0,1,0,0,0,1|1,0,0]=3 9012 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200025704644 [0,1,0,0,0,1|1,0,0]=3 9013 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200025704644 [0,1,0,0,0,1|1,0,0]=3 9014 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200025704644 [0,1,0,0,0,1|1,0,0]=3 9015 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200025704644 [0,1,0,0,0,1|1,0,0]=3 9016 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)Br 1458a_100000183208_200025704644 [0,1,0,0,0,1|1,0,0]=3 9017 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)Cl 1458a_100000741531_200025704644 [0,1,0,0,0,1|1,0,0]=3 9018 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)F 1458a_100000735736_200025704644 [0,1,0,0,0,1|1,0,0]=3 9019 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)I 1458a_100000744034_200025704644 [0,1,0,0,0,1|1,0,0]=3 9020 B14R1.677 [13CH3]C(=O)CCCSc1ccc(cc1)Br 1458a_100000753536_200025704644 [0,1,0,0,0,1|1,0,0]=3 9021 B14R1.677 [13CH3]C(=O)CCCSc1ccc(cc1)Cl 1458a_100000182790_200025704644 [0,1,0,0,0,1|1,0,0]=3 9022 B14R1.716 C#CC(=O)CCCCc1ccccc1 1458a_100000211873_100000701786 [0,1,0,0,0,1|1,0,0]=3 9023 B14R1.716 C#CC(=O)CCCCc1ccncc1 1458a_100000211873_100020630000 [0,1,0,0,0,1|2,0,0]=4 9024 B14R1.716 C#CC(=O)CCCOc1ccccc1 1458a_100000211873_100000199009 [0,1,0,0,0,1|1,0,0]=3 9025 B14R1.716 C#CC(=O)CCCSc1ccccc1 1458a_100000211873_200011203293 [0,1,0,0,0,1|1,0,0]=3 9026 B14R1.716 C#CC(=O)CCOCc1ccccc1 1458a_100000211873_100000234347 [0,1,0,0,0,1|1,0,0]=3 9027 B14R1.716 C#CC(=O)CCSCc1ccccc1 1458a_100000211873_200011297719 [0,1,0,0,0,1|1,0,0]=3 9028 B14R1.716 C=C(C#N)CNCCc1ccccc1 2230a_100000106460_100000694840 [0,1,0,0,0,1|2,0,0]=4 9029 B14R1.716 C=C(C#N)CNCCc1ccccc1 34a_100000106460_100000694840 [0,1,0,0,0,1|2,0,0]=4 9030 B14R1.716 C=C(C#N)COCCc1ccccc1 34a_100000210268_100000694840 [0,1,0,0,0,1|2,0,0]=4 9031 B14R1.716 C=C(C#N)CSCCc1ccccc1 62a_100000765856_100000694840 [0,1,0,0,0,1|2,0,0]=4 9032 B14R1.716 C=CC(=O)CCCCc1ccccc1 1458a_100000185746_100000701786 [0,1,0,0,0,1|1,0,0]=3 9033 B14R1.716 C=CC(=O)CCCCc1ccncc1 1458a_100000185746_100020630000 [0,1,0,0,0,1|2,0,0]=4 9034 B14R1.716 C=CC(=O)CCCOc1ccccc1 1458a_100000185746_100000199009 [0,1,0,0,0,1|1,0,0]=3 9035 B14R1.716 C=CC(=O)CCCSc1ccccc1 1458a_100000185746_200011203293 [0,1,0,0,0,1|1,0,0]=3 9036 B14R1.716 C=CC(=O)CCOCc1ccccc1 1458a_100000185746_100000234347 [0,1,0,0,0,1|1,0,0]=3 9037 B14R1.716 C=CC(=O)CCSCc1ccccc1 1458a_100000185746_200011297719 [0,1,0,0,0,1|1,0,0]=3 9038 B14R1.716 C=CC(=O)NCCCc1ccccc1 1626a_100000211184_100000185746 [0,1,0,0,0,1|1,0,0]=3 9039 B14R1.716 C=CC(=O)NCCCc1ccccc1 240690a_100000211184_200121576911 [0,1,0,0,0,1|1,0,0]=3 9040 B14R1.716 C=CC(=O)NCCCc1ccccn1 1626a_100000689020_100000185746 [0,1,0,0,0,1|2,0,0]=4 9041 B14R1.716 C=CC(=O)NCCCc1ccccn1 240690a_100000689020_200121576911 [0,1,0,0,0,1|2,0,0]=4 9042 B14R1.716 C=CC(=O)NCCCc1cccnc1 240690a_100011532358_200121576911 [0,1,0,0,0,1|2,0,0]=4 9043 B14R1.716 C=CC(=O)NCCCc1ccncc1 1626a_100011275580_100000185746 [0,1,0,0,0,1|2,0,0]=4 9044 B14R1.716 C=CC(=O)NCCCc1ccncc1 240690a_100011275580_200121576911 [0,1,0,0,0,1|2,0,0]=4 9045 B14R1.716 C=CC(=O)NCCOc1ccccc1 1626a_100000174943_100000185746 [0,1,0,0,0,1|2,0,0]=4 9046 B14R1.716 C=CC(=O)NCCOc1ccccc1 240690a_100000174943_200121576911 [0,1,0,0,0,1|2,0,0]=4 9047 B14R1.716 C=CC(=O)NCCSc1ccccc1 240690a_100000189519_200121576911 [0,1,0,0,0,1|2,0,0]=4 9048 B14R1.716 C=CC(=O)NNCCc1ccccc1 22a_100000740470_100000185746 [0,1,0,0,0,1|2,0,0]=4 9049 B14R1.716 C=CC(=O)OCCNc1ccccc1 34a_100000106764_100009813456 [0,1,0,0,0,1|2,0,0]=4 9050 B14R1.716 C=CC(=O)OCCOc1ccccc1 34a_100000210340_100009813456 [0,1,0,0,0,1|2,0,0]=4 9051 B14R1.716 C=CC(=O)OCCOc1ccccc1 7a_100000210340_100009813456 [0,1,0,0,0,1|2,0,0]=4 9052 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100000719477_100009813456 [0,1,0,0,0,1|2,0,0]=4 9053 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100009813456_100000041952 [0,1,0,0,0,1|2,0,0]=4 9054 B14R1.716 C=CC(O)CNCCc1ccccc1 2230a_100000106460_100000730141 [0,1,0,0,0,1|1,0,1]=4 9055 B14R1.716 C=CC(O)CNCCc1ccccc1 34a_100000106460_100000730141 [0,1,0,0,0,1|1,0,1]=4 9056 B14R1.716 C=CC(O)COCCc1ccccc1 34a_100000210268_100000730141 [0,1,0,0,0,1|1,0,1]=4 9057 B14R1.716 C=CC(O)COCCc1ccccc1 7a_100000210268_100000730141 [0,1,0,0,0,1|1,0,1]=4 9058 B14R1.716 C=CC(O)CSCCc1ccccc1 62a_100000730141_100011218657 [0,1,0,0,0,1|1,0,1]=4 9059 B14R1.716 C=CC(O)CSCCc1ccccc1 62a_100000765856_100000730141 [0,1,0,0,0,1|1,0,1]=4 9060 B14R1.716 CC(=NNCCc1ccccc1)CO 4a_100000740470_100000211253 [0,1,0,0,0,1|2,0,0]=4 9061 B14R1.716 CC(CO)CCNCc1ccccc1 207a_106354213184_100015611070 [0,1,0,0,0,1|1,0,1]=4 9062 B14R1.716 CC(CO)CCNCc1ccccc1 2230a_106354213184_100015291786 [0,1,0,0,0,1|1,0,1]=4 9063 B14R1.716 CC(CO)CCNCc1ccccc1 270004a_106354213184_100015611070 [0,1,0,0,0,1|1,0,1]=4 9064 B14R1.716 CC(CO)CCNCc1ccccc1 34a_106354213184_100015291786 [0,1,0,0,0,1|1,0,1]=4 9065 B14R1.716 CC(CO)CNCCc1ccccc1 34a_100000744482_100000765856 [0,1,0,0,0,1|1,0,1]=4 9066 B14R1.716 CC(CO)NCCCc1ccccc1 2230a_100000211184_100012180447 [0,1,0,0,0,1|1,0,1]=4 9067 B14R1.716 CC(CO)NCCCc1ccccc1 34a_100000211184_100012180447 [0,1,0,0,0,1|1,0,1]=4 9068 B14R1.716 CC(CO)OCCCc1ccccc1 34a_100000210828_100012180447 [0,1,0,0,0,1|1,0,1]=4 9069 B14R1.716 CC(CO)OCCCc1ccccc1 7a_100000210828_100012180447 [0,1,0,0,0,1|1,0,1]=4 9070 B14R1.716 CC(CO)SCCCc1ccccc1 62a_100012180447_100000211621 [0,1,0,0,0,1|1,0,1]=4 9071 B14R1.716 CCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210202 [0,1,0,0,0,1|1,0,1]=4 9072 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,1,0,0,0,1|1,0,0]=3 9073 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,1,0,0,0,1|1,0,0]=3 9074 B14R1.716 CCC(=O)CCCCc1ccncc1 1458a_100000210414_100020630000 [0,1,0,0,0,1|2,0,0]=4 9075 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000210414_100000199009 [0,1,0,0,0,1|1,0,0]=3 9076 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000212059_100000210202 [0,1,0,0,0,1|1,0,0]=3 9077 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000182835_100000210202 [0,1,0,0,0,1|1,0,0]=3 9078 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000210414_200011203293 [0,1,0,0,0,1|1,0,0]=3 9079 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,1,0,0,0,1|1,0,0]=3 9080 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,1,0,0,0,1|1,0,0]=3 9081 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [0,1,0,0,0,1|1,0,0]=3 9082 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [0,1,0,0,0,1|1,0,0]=3 9083 B14R1.716 CCC(=O)CCSCc1ccccn1 1458a_100000742633_100000210202 [0,1,0,0,0,1|2,0,0]=4 9084 B14R1.716 CCC(=O)COCCc1ccccc1 34a_100000725409_100000765856 [0,1,0,0,0,1|1,0,0]=3 9085 B14R1.716 CCC(=O)COCCc1ccccc1 7a_100000210268_100000747405 [0,1,0,0,0,1|1,0,0]=3 9086 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000747405_100011218657 [0,1,0,0,0,1|1,0,0]=3 9087 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000765856_100000747405 [0,1,0,0,0,1|1,0,0]=3 9088 B14R1.716 CCC(=O)CSCCc1ccccn1 62a_100000747405_100015183660 [0,1,0,0,0,1|2,0,0]=4 9089 B14R1.716 CCC(=O)CSCCc1ccccn1 62a_100015183660_100000747405 [0,1,0,0,0,1|2,0,0]=4 9090 B14R1.716 CCC(=O)CSCCc1cccnc1 62a_100000747405_200011713674 [0,1,0,0,0,1|2,0,0]=4 9091 B14R1.716 CCC(=O)CSCCc1cccnc1 62a_200011713674_100000747405 [0,1,0,0,0,1|2,0,0]=4 9092 B14R1.716 CCC(=O)CSCCc1ccncc1 62a_100000723409_100000747405 [0,1,0,0,0,1|2,0,0]=4 9093 B14R1.716 CCC(=O)CSCCc1ccncc1 62a_100000747405_100000723409 [0,1,0,0,0,1|2,0,0]=4 9094 B14R1.716 CCC(=O)CSCSc1ccccc1 62a_100000747405_100011218342 [0,1,0,0,0,1|2,0,0]=4 9095 B14R1.716 CCC(=O)CSCSc1ccccc1 62a_100011218342_100000747405 [0,1,0,0,0,1|2,0,0]=4 9096 B14R1.716 CCC(=O)NCCCc1ccccc1 11a_100000211184_100000210414 [0,1,0,0,0,1|1,0,0]=3 9097 B14R1.716 CCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210414 [0,1,0,0,0,1|1,0,0]=3 9098 B14R1.716 CCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210414 [0,1,0,0,0,1|1,0,0]=3 9099 B14R1.716 CCC(=O)NCCCc1ccccc1 527a_100000211184_100000210414 [0,1,0,0,0,1|1,0,0]=3 9100 B14R1.716 CCC(=O)NCCCc1ccccn1 11a_100000689020_100000210414 [0,1,0,0,0,1|2,0,0]=4 9101 B14R1.716 CCC(=O)NCCCc1ccccn1 1626a_100000689020_100000210414 [0,1,0,0,0,1|2,0,0]=4 9102 B14R1.716 CCC(=O)NCCCc1ccccn1 240690a_100000689020_100000210414 [0,1,0,0,0,1|2,0,0]=4 9103 B14R1.716 CCC(=O)NCCCc1ccccn1 527a_100000689020_100000210414 [0,1,0,0,0,1|2,0,0]=4 9104 B14R1.716 CCC(=O)NCCCc1cccnc1 11a_100011532358_100000210414 [0,1,0,0,0,1|2,0,0]=4 9105 B14R1.716 CCC(=O)NCCCc1cccnc1 240690a_100011532358_100000210414 [0,1,0,0,0,1|2,0,0]=4 9106 B14R1.716 CCC(=O)NCCCc1ccncc1 1626a_100011275580_100000210414 [0,1,0,0,0,1|2,0,0]=4 9107 B14R1.716 CCC(=O)NCCCc1ccncc1 240690a_100011275580_100000210414 [0,1,0,0,0,1|2,0,0]=4 9108 B14R1.716 CCC(=O)NCCCc1ccncc1 527a_100011275580_100000210414 [0,1,0,0,0,1|2,0,0]=4 9109 B14R1.716 CCC(=O)NCCOc1ccccc1 11a_100000174943_100000210414 [0,1,0,0,0,1|2,0,0]=4 9110 B14R1.716 CCC(=O)NCCOc1ccccc1 1626a_100000174943_100000210414 [0,1,0,0,0,1|2,0,0]=4 9111 B14R1.716 CCC(=O)NCCOc1ccccc1 240690a_100000174943_100000210414 [0,1,0,0,0,1|2,0,0]=4 9112 B14R1.716 CCC(=O)NCCOc1ccccc1 527a_100000174943_100000210414 [0,1,0,0,0,1|2,0,0]=4 9113 B14R1.716 CCC(=O)NCCSc1ccccc1 240690a_100000189519_100000210414 [0,1,0,0,0,1|2,0,0]=4 9114 B14R1.716 CCC(=O)NCCSc1ccccc1 527a_100000189519_100000210414 [0,1,0,0,0,1|2,0,0]=4 9115 B14R1.716 CCC(=O)NNCCc1ccccc1 22a_100000740470_100000210414 [0,1,0,0,0,1|2,0,0]=4 9116 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100000106460_100011218378 [0,1,0,0,0,1|1,0,1]=4 9117 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100011218483_100000765856 [0,1,0,0,0,1|1,0,1]=4 9118 B14R1.716 CCC(O)CNCCc1ccccc1 34a_100000106460_100011218378 [0,1,0,0,0,1|1,0,1]=4 9119 B14R1.716 CCC(O)COCCc1ccccc1 34a_100000210268_100011218378 [0,1,0,0,0,1|1,0,1]=4 9120 B14R1.716 CCC(O)COCCc1ccccc1 7a_100000210268_100011218378 [0,1,0,0,0,1|1,0,1]=4 9121 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100000765856_100011218378 [0,1,0,0,0,1|1,0,1]=4 9122 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100011218378_100011218657 [0,1,0,0,0,1|1,0,1]=4 9123 B14R1.716 CNC(=O)C=CCCc1ccccc1 11a_106832991635_100016484021 [0,1,0,0,0,1|1,0,1]=4 9124 B14R1.716 CNC(=O)C=CCCc1ccccc1 1626a_100102657272_100016484021 [0,1,0,0,0,1|1,0,1]=4 9125 B14R1.716 CNC(=O)C=CCCc1ccccc1 240690a_100102657272_100016484021 [0,1,0,0,0,1|1,0,1]=4 9126 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,1,0,0,0,1|1,0,0]=3 9127 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,1,0,0,0,1|1,0,0]=3 9128 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,1,0,0,0,1|1,0,0]=3 9129 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,1,0,0,0,1|1,0,0]=3 9130 B14R1.716 CNC(=O)CCCNc1ccccc1 34a_100000106764_100000741757 [0,1,0,0,0,1|1,0,0]=3 9131 B14R1.716 CNC(=O)CCCOc1ccccc1 11a_106832991635_100000212059 [0,1,0,0,0,1|1,0,0]=3 9132 B14R1.716 CNC(=O)CCCOc1ccccc1 1626a_100102657272_100000212059 [0,1,0,0,0,1|1,0,0]=3 9133 B14R1.716 CNC(=O)CCCOc1ccccc1 240690a_100102657272_100000212059 [0,1,0,0,0,1|1,0,0]=3 9134 B14R1.716 CNC(=O)CCCOc1ccccc1 34a_100000210340_100000741757 [0,1,0,0,0,1|1,0,0]=3 9135 B14R1.716 CNC(=O)CCCOc1ccccc1 527a_100102657272_100000212059 [0,1,0,0,0,1|1,0,0]=3 9136 B14R1.716 CNC(=O)CCCOc1ccccc1 7a_100000210340_100000741757 [0,1,0,0,0,1|1,0,0]=3 9137 B14R1.716 CNC(=O)CCCOc1cccnc1 34a_100000210849_100000741757 [0,1,0,0,0,1|2,0,0]=4 9138 B14R1.716 CNC(=O)CCCOc1cccnc1 7a_100000210849_100000741757 [0,1,0,0,0,1|2,0,0]=4 9139 B14R1.716 CNC(=O)CCCOc1ccncc1 34a_100000212176_100000741757 [0,1,0,0,0,1|2,0,0]=4 9140 B14R1.716 CNC(=O)CCCSc1ccccc1 11a_106832991635_100000182835 [0,1,0,0,0,1|1,0,0]=3 9141 B14R1.716 CNC(=O)CCCSc1ccccc1 1626a_100102657272_100000182835 [0,1,0,0,0,1|1,0,0]=3 9142 B14R1.716 CNC(=O)CCCSc1ccccc1 240690a_100102657272_100000182835 [0,1,0,0,0,1|1,0,0]=3 9143 B14R1.716 CNC(=O)CCCSc1ccccc1 527a_100102657272_100000182835 [0,1,0,0,0,1|1,0,0]=3 9144 B14R1.716 CNC(=O)CCCSc1ccccc1 62a_100000719477_100000741757 [0,1,0,0,0,1|1,0,0]=3 9145 B14R1.716 CNC(=O)CCCSc1ccccc1 62a_100000741757_100000041952 [0,1,0,0,0,1|1,0,0]=3 9146 B14R1.716 CNC(=O)CCCSc1ccccn1 62a_100000741757_100011216584 [0,1,0,0,0,1|2,0,0]=4 9147 B14R1.716 CNC(=O)CCCSc1ccccn1 62a_100011216584_100000741757 [0,1,0,0,0,1|2,0,0]=4 9148 B14R1.716 CNC(=O)CCCSc1cccnc1 62a_100000210063_100000741757 [0,1,0,0,0,1|2,0,0]=4 9149 B14R1.716 CNC(=O)CCCSc1cccnc1 62a_100000741757_100000210063 [0,1,0,0,0,1|2,0,0]=4 9150 B14R1.716 CNC(=O)CCCSc1ccncc1 62a_100000728582_100000741757 [0,1,0,0,0,1|2,0,0]=4 9151 B14R1.716 CNC(=O)CCCSc1ccncc1 62a_100000741757_100000728582 [0,1,0,0,0,1|2,0,0]=4 9152 B14R1.716 CNC(=O)CCNCc1ccccc1 207a_100000738227_100015611070 [0,1,0,0,0,1|1,0,0]=3 9153 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100000738227_100015291786 [0,1,0,0,0,1|1,0,0]=3 9154 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737683 [0,1,0,0,0,1|1,0,0]=3 9155 B14R1.716 CNC(=O)CCNCc1ccccc1 270004a_100000738227_100015611070 [0,1,0,0,0,1|1,0,0]=3 9156 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100000738227_100015291786 [0,1,0,0,0,1|1,0,0]=3 9157 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100015324214_100012179268 [0,1,0,0,0,1|1,0,0]=3 9158 B14R1.716 CNC(=O)CCNCc1ccccn1 207a_100000738227_100000209966 [0,1,0,0,0,1|2,0,0]=4 9159 B14R1.716 CNC(=O)CCNCc1ccccn1 2230a_100000738227_100000721315 [0,1,0,0,0,1|2,0,0]=4 9160 B14R1.716 CNC(=O)CCNCc1ccccn1 270004a_100000738227_100000209966 [0,1,0,0,0,1|2,0,0]=4 9161 B14R1.716 CNC(=O)CCNCc1ccccn1 34a_100000738227_100000721315 [0,1,0,0,0,1|2,0,0]=4 9162 B14R1.716 CNC(=O)CCNCc1cccnc1 207a_100000738227_100000209961 [0,1,0,0,0,1|2,0,0]=4 9163 B14R1.716 CNC(=O)CCNCc1cccnc1 2230a_100000738227_100000741622 [0,1,0,0,0,1|2,0,0]=4 9164 B14R1.716 CNC(=O)CCNCc1cccnc1 270004a_100000738227_100000209961 [0,1,0,0,0,1|2,0,0]=4 9165 B14R1.716 CNC(=O)CCNCc1cccnc1 34a_100000738227_100000733263 [0,1,0,0,0,1|2,0,0]=4 9166 B14R1.716 CNC(=O)CCNCc1ccncc1 207a_100000738227_100000186114 [0,1,0,0,0,1|2,0,0]=4 9167 B14R1.716 CNC(=O)CCNCc1ccncc1 2230a_100000738227_100015193705 [0,1,0,0,0,1|2,0,0]=4 9168 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [0,1,0,0,0,1|1,0,0]=3 9169 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [0,1,0,0,0,1|1,0,0]=3 9170 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [0,1,0,0,0,1|1,0,0]=3 9171 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [0,1,0,0,0,1|1,0,0]=3 9172 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [0,1,0,0,0,1|1,0,0]=3 9173 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [0,1,0,0,0,1|1,0,0]=3 9174 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [0,1,0,0,0,1|1,0,0]=3 9175 B14R1.716 CNC(=O)CCOCc1ccccn1 34a_100000754576_100000721315 [0,1,0,0,0,1|2,0,0]=4 9176 B14R1.716 CNC(=O)CCOCc1cccnc1 34a_100000754576_100000733263 [0,1,0,0,0,1|2,0,0]=4 9177 B14R1.716 CNC(=O)CCSCc1ccccc1 11a_106832991635_100000173759 [0,1,0,0,0,1|1,0,0]=3 9178 B14R1.716 CNC(=O)CCSCc1ccccc1 1626a_100102657272_100000173759 [0,1,0,0,0,1|1,0,0]=3 9179 B14R1.716 CNC(=O)CCSCc1ccccc1 240690a_100102657272_100000173759 [0,1,0,0,0,1|1,0,0]=3 9180 B14R1.716 CNC(=O)CCSCc1ccccc1 527a_100102657272_100000173759 [0,1,0,0,0,1|1,0,0]=3 9181 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000211182_100000737683 [0,1,0,0,0,1|1,0,0]=3 9182 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000737683_100015291786 [0,1,0,0,0,1|1,0,0]=3 9183 B14R1.716 CNC(=O)CCSCc1ccccn1 11a_106832991635_100000742633 [0,1,0,0,0,1|2,0,0]=4 9184 B14R1.716 CNC(=O)CCSCc1ccccn1 1626a_100102657272_100000742633 [0,1,0,0,0,1|2,0,0]=4 9185 B14R1.716 CNC(=O)CCSCc1ccccn1 240690a_100102657272_100000742633 [0,1,0,0,0,1|2,0,0]=4 9186 B14R1.716 CNC(=O)CCSCc1ccccn1 62a_100000721315_100000737683 [0,1,0,0,0,1|2,0,0]=4 9187 B14R1.716 CNC(=O)CCSCc1ccccn1 62a_100000737683_100000721315 [0,1,0,0,0,1|2,0,0]=4 9188 B14R1.716 CNC(=O)CCSCc1cccnc1 62a_100000737683_100000741622 [0,1,0,0,0,1|2,0,0]=4 9189 B14R1.716 CNC(=O)CCSCc1cccnc1 62a_100000741622_100000737683 [0,1,0,0,0,1|2,0,0]=4 9190 B14R1.716 CNC(=O)CCSCc1ccncc1 62a_100000737683_100015193705 [0,1,0,0,0,1|2,0,0]=4 9191 B14R1.716 CNC(=O)CCSCc1ccncc1 62a_100015193705_100000737683 [0,1,0,0,0,1|2,0,0]=4 9192 B14R1.716 CNC(=O)CNCCc1ccccc1 2230a_100000106460_100000183359 [0,1,0,0,0,1|1,0,0]=3 9193 B14R1.716 CNC(=O)CNCCc1ccccc1 2230a_100000693194_100000765856 [0,1,0,0,0,1|1,0,0]=3 9194 B14R1.716 CNC(=O)CNCCc1ccccc1 34a_100000106460_100000183359 [0,1,0,0,0,1|1,0,0]=3 9195 B14R1.716 CNC(=O)CNCCc1ccccn1 2230a_100000693194_100015183660 [0,1,0,0,0,1|2,0,0]=4 9196 B14R1.716 CNC(=O)CNCCc1cccnc1 2230a_100000693194_200011713674 [0,1,0,0,0,1|2,0,0]=4 9197 B14R1.716 CNC(=O)CNCCc1cccnc1 2230a_100000736294_100000183359 [0,1,0,0,0,1|2,0,0]=4 9198 B14R1.716 CNC(=O)CNCCc1ccncc1 2230a_100000693194_100000723409 [0,1,0,0,0,1|2,0,0]=4 9199 B14R1.716 CNC(=O)CNCSc1ccccc1 2230a_100000693194_100011218342 [0,1,0,0,0,1|2,0,0]=4 9200 B14R1.716 CNC(=O)COCCc1ccccc1 34a_100000210268_100000183359 [0,1,0,0,0,1|1,0,0]=3 9201 B14R1.716 CNC(=O)COCCc1ccccc1 34a_100000750040_100000765856 [0,1,0,0,0,1|1,0,0]=3 9202 B14R1.716 CNC(=O)COCCc1ccccc1 7a_100000210268_100000183359 [0,1,0,0,0,1|1,0,0]=3 9203 B14R1.716 CNC(=O)COCCc1ccccn1 34a_100000210271_100000183359 [0,1,0,0,0,1|2,0,0]=4 9204 B14R1.716 CNC(=O)COCCc1cccnc1 34a_100011217484_100000183359 [0,1,0,0,0,1|2,0,0]=4 9205 B14R1.716 CNC(=O)COCCc1ccncc1 34a_100011216225_100000183359 [0,1,0,0,0,1|2,0,0]=4 9206 B14R1.716 CNC(=O)CSCCc1ccccc1 62a_100000183359_100011218657 [0,1,0,0,0,1|1,0,0]=3 9207 B14R1.716 CNC(=O)CSCCc1ccccc1 62a_100000765856_100000183359 [0,1,0,0,0,1|1,0,0]=3 9208 B14R1.716 CNC(=O)CSCCc1ccccn1 62a_100000183359_100015183660 [0,1,0,0,0,1|2,0,0]=4 9209 B14R1.716 CNC(=O)CSCCc1ccccn1 62a_100015183660_100000183359 [0,1,0,0,0,1|2,0,0]=4 9210 B14R1.716 CNC(=O)CSCCc1cccnc1 62a_100000183359_200011713674 [0,1,0,0,0,1|2,0,0]=4 9211 B14R1.716 CNC(=O)CSCCc1cccnc1 62a_200011713674_100000183359 [0,1,0,0,0,1|2,0,0]=4 9212 B14R1.716 CNC(=O)CSCCc1ccncc1 62a_100000183359_100000723409 [0,1,0,0,0,1|2,0,0]=4 9213 B14R1.716 CNC(=O)CSCCc1ccncc1 62a_100000723409_100000183359 [0,1,0,0,0,1|2,0,0]=4 9214 B14R1.716 CNC(=O)CSCSc1ccccc1 62a_100000183359_100011218342 [0,1,0,0,0,1|2,0,0]=4 9215 B14R1.716 CNC(=O)CSCSc1ccccc1 62a_100011218342_100000183359 [0,1,0,0,0,1|2,0,0]=4 9216 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100000211184_106832991635 [0,1,0,0,0,1|1,0,0]=3 9217 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100102657272_100000211184 [0,1,0,0,0,1|1,0,0]=3 9218 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100000211184_100102657272 [0,1,0,0,0,1|1,0,0]=3 9219 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100102657272_100000211184 [0,1,0,0,0,1|1,0,0]=3 9220 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_100000211184_100102657272 [0,1,0,0,0,1|1,0,0]=3 9221 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_106832991638_100000211184 [0,1,0,0,0,1|1,0,0]=3 9222 B14R1.716 CNC(=O)NCCCc1ccccn1 2708a_100000689020_106832991635 [0,1,0,0,0,1|2,0,0]=4 9223 B14R1.716 CNC(=O)NCCCc1ccccn1 2708a_100102657272_100000689020 [0,1,0,0,0,1|2,0,0]=4 9224 B14R1.716 CNC(=O)NCCCc1ccccn1 273464a_100000689020_100102657272 [0,1,0,0,0,1|2,0,0]=4 9225 B14R1.716 CNC(=O)NCCCc1ccccn1 273464a_100102657272_100000689020 [0,1,0,0,0,1|2,0,0]=4 9226 B14R1.716 CNC(=O)NCCCc1ccccn1 512a_106832991638_100000689020 [0,1,0,0,0,1|2,0,0]=4 9227 B14R1.716 CNC(=O)NCCCc1cccnc1 2708a_100011532358_106832991635 [0,1,0,0,0,1|2,0,0]=4 9228 B14R1.716 CNC(=O)NCCCc1cccnc1 2708a_100102657272_100011532358 [0,1,0,0,0,1|2,0,0]=4 9229 B14R1.716 CNC(=O)NCCCc1cccnc1 273464a_100011532358_100102657272 [0,1,0,0,0,1|2,0,0]=4 9230 B14R1.716 CNC(=O)NCCCc1cccnc1 273464a_100102657272_100011532358 [0,1,0,0,0,1|2,0,0]=4 9231 B14R1.716 CNC(=O)NCCCc1cccnc1 512a_100011532358_100102657272 [0,1,0,0,0,1|2,0,0]=4 9232 B14R1.716 CNC(=O)NCCCc1cccnc1 512a_106832991638_100011532358 [0,1,0,0,0,1|2,0,0]=4 9233 B14R1.716 CNC(=O)NCCCc1ccncc1 2708a_100011275580_106832991635 [0,1,0,0,0,1|2,0,0]=4 9234 B14R1.716 CNC(=O)NCCCc1ccncc1 2708a_100102657272_100011275580 [0,1,0,0,0,1|2,0,0]=4 9235 B14R1.716 CNC(=O)NCCCc1ccncc1 273464a_100011275580_100102657272 [0,1,0,0,0,1|2,0,0]=4 9236 B14R1.716 CNC(=O)NCCCc1ccncc1 273464a_100102657272_100011275580 [0,1,0,0,0,1|2,0,0]=4 9237 B14R1.716 CNC(=O)NCCCc1ccncc1 512a_100011275580_100102657272 [0,1,0,0,0,1|2,0,0]=4 9238 B14R1.716 CNC(=O)NCCCc1ccncc1 512a_106832991638_100011275580 [0,1,0,0,0,1|2,0,0]=4 9239 B14R1.716 CNC(=O)NCCOc1ccccc1 2708a_100000174943_106832991635 [0,1,0,0,0,1|2,0,0]=4 9240 B14R1.716 CNC(=O)NCCOc1ccccc1 2708a_100102657272_100000174943 [0,1,0,0,0,1|2,0,0]=4 9241 B14R1.716 CNC(=O)NCCOc1ccccc1 273464a_100000174943_100102657272 [0,1,0,0,0,1|2,0,0]=4 9242 B14R1.716 CNC(=O)NCCOc1ccccc1 273464a_100102657272_100000174943 [0,1,0,0,0,1|2,0,0]=4 9243 B14R1.716 CNC(=O)NCCOc1ccccc1 512a_100000174943_100102657272 [0,1,0,0,0,1|2,0,0]=4 9244 B14R1.716 CNC(=O)NCCOc1ccccc1 512a_106832991638_100000174943 [0,1,0,0,0,1|2,0,0]=4 9245 B14R1.716 CNC(=O)NCCSc1ccccc1 2708a_100000189519_106832991635 [0,1,0,0,0,1|2,0,0]=4 9246 B14R1.716 CNC(=O)NCCSc1ccccc1 2708a_100102657272_100000189519 [0,1,0,0,0,1|2,0,0]=4 9247 B14R1.716 CNC(=O)NCCSc1ccccc1 273464a_100000189519_100102657272 [0,1,0,0,0,1|2,0,0]=4 9248 B14R1.716 CNC(=O)NCCSc1ccccc1 273464a_100102657272_100000189519 [0,1,0,0,0,1|2,0,0]=4 9249 B14R1.716 CNC(=O)NCCSc1ccccc1 512a_100000189519_100102657272 [0,1,0,0,0,1|2,0,0]=4 9250 B14R1.716 CNC(=O)NCCSc1ccccc1 512a_106832991638_100000189519 [0,1,0,0,0,1|2,0,0]=4 9251 B14R1.716 CNC(=O)NNCCc1ccccc1 273464a_100102657272_100000740470 [0,1,0,0,0,1|2,0,0]=4 9252 B14R1.716 CNC(=O)NNCCc1ccccc1 512a_100000740470_100102657272 [0,1,0,0,0,1|2,0,0]=4 9253 B14R1.716 CNC(=O)NNCCc1ccccc1 512a_106832991638_100000740470 [0,1,0,0,0,1|2,0,0]=4 9254 B14R1.716 CNC(=O)OCCNc1ccccc1 34a_100000106764_200011997002 [0,1,0,0,0,1|2,0,0]=4 9255 B14R1.716 CNC(=O)OCCOc1ccccc1 34a_100000210340_200011997002 [0,1,0,0,0,1|2,0,0]=4 9256 B14R1.716 CNC(=O)OCCOc1ccccc1 7a_100000210340_200011997002 [0,1,0,0,0,1|2,0,0]=4 9257 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_100000719477_200011997002 [0,1,0,0,0,1|2,0,0]=4 9258 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_200011997002_100000041952 [0,1,0,0,0,1|2,0,0]=4 9259 B14R1.716 COC(=O)/C=C/CNc1ccccc1 34a_100000106764_100000742655 [0,1,0,0,0,1|0,0,2]=4 9260 B14R1.716 COC(=O)/C=C/COc1ccccc1 34a_100000210340_100000742655 [0,1,0,0,0,1|0,0,2]=4 9261 B14R1.716 COC(=O)/C=C/COc1ccccc1 7a_100000210340_100000742655 [0,1,0,0,0,1|0,0,2]=4 9262 B14R1.716 COC(=O)/C=C/CSc1ccccc1 62a_100000719477_100000742655 [0,1,0,0,0,1|0,0,2]=4 9263 B14R1.716 COC(=O)/C=C/CSc1ccccc1 62a_100000742655_100000041952 [0,1,0,0,0,1|0,0,2]=4 9264 B14R1.716 COC(=O)C=NNCc1ccccc1 4a_100000007032_200011823558 [0,1,0,0,0,1|1,0,1]=4 9265 B14R1.716 COC(=O)CC=NNc1ccccc1 4a_100015195140_200011552997 [0,1,0,0,0,1|1,0,1]=4 9266 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,1,0,0,0,1|0,0,0]=2 9267 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,1,0,0,0,1|0,0,0]=2 9268 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,1,0,0,0,1|0,0,0]=2 9269 B14R1.716 COC(=O)CCCOc1cccnc1 34a_100000210849_100000742333 [0,1,0,0,0,1|1,0,0]=3 9270 B14R1.716 COC(=O)CCCOc1cccnc1 7a_100000210849_100011218270 [0,1,0,0,0,1|1,0,0]=3 9271 B14R1.716 COC(=O)CCCOc1ccncc1 34a_100000212176_100000742333 [0,1,0,0,0,1|1,0,0]=3 9272 B14R1.716 COC(=O)CCCOc1ccnnc1 34a_100015204005_100000742333 [0,1,0,0,0,1|2,0,0]=4 9273 B14R1.716 COC(=O)CCCOc1cncnc1 7a_100000754086_100011218270 [0,1,0,0,0,1|2,0,0]=4 9274 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,1,0,0,0,1|0,0,0]=2 9275 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,1,0,0,0,1|0,0,0]=2 9276 B14R1.716 COC(=O)CCCSc1ccccn1 62a_100011216584_100011218270 [0,1,0,0,0,1|1,0,0]=3 9277 B14R1.716 COC(=O)CCCSc1ccccn1 62a_100011218270_100011216584 [0,1,0,0,0,1|1,0,0]=3 9278 B14R1.716 COC(=O)CCCSc1cccnc1 62a_100000210063_100011218270 [0,1,0,0,0,1|1,0,0]=3 9279 B14R1.716 COC(=O)CCCSc1cccnc1 62a_100011218270_100000210063 [0,1,0,0,0,1|1,0,0]=3 9280 B14R1.716 COC(=O)CCCSc1cccnn1 62a_100011218270_100016991348 [0,1,0,0,0,1|2,0,0]=4 9281 B14R1.716 COC(=O)CCCSc1cccnn1 62a_100016991348_100011218270 [0,1,0,0,0,1|2,0,0]=4 9282 B14R1.716 COC(=O)CCCSc1ccncc1 62a_100000728582_100011218270 [0,1,0,0,0,1|1,0,0]=3 9283 B14R1.716 COC(=O)CCCSc1ccncc1 62a_100011218270_100000728582 [0,1,0,0,0,1|1,0,0]=3 9284 B14R1.716 COC(=O)CCCSc1ccncn1 62a_100000703185_100011218270 [0,1,0,0,0,1|2,0,0]=4 9285 B14R1.716 COC(=O)CCCSc1ccncn1 62a_100011218270_100000703185 [0,1,0,0,0,1|2,0,0]=4 9286 B14R1.716 COC(=O)CCCSc1ccnnc1 62a_100000732662_100011218270 [0,1,0,0,0,1|2,0,0]=4 9287 B14R1.716 COC(=O)CCCSc1ccnnc1 62a_100011218270_100000732662 [0,1,0,0,0,1|2,0,0]=4 9288 B14R1.716 COC(=O)CCCSc1cnccn1 62a_100000211759_100011218270 [0,1,0,0,0,1|2,0,0]=4 9289 B14R1.716 COC(=O)CCCSc1cnccn1 62a_100011218270_100000211759 [0,1,0,0,0,1|2,0,0]=4 9290 B14R1.716 COC(=O)CCCSc1cncnc1 62a_100011206942_100011218270 [0,1,0,0,0,1|2,0,0]=4 9291 B14R1.716 COC(=O)CCCSc1cncnc1 62a_100011218270_100011206942 [0,1,0,0,0,1|2,0,0]=4 9292 B14R1.716 COC(=O)CCCSc1ncccn1 62a_100000211032_100011218270 [0,1,0,0,0,1|2,0,0]=4 9293 B14R1.716 COC(=O)CCCSc1ncccn1 62a_100011218270_100000211032 [0,1,0,0,0,1|2,0,0]=4 9294 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,1,0,0,0,1|0,0,0]=2 9295 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,1,0,0,0,1|0,0,0]=2 9296 B14R1.716 COC(=O)CCNCc1cccnn1 2230a_100159270163_100000204255 [0,1,0,0,0,1|2,0,0]=4 9297 B14R1.716 COC(=O)CCNCc1cncnc1 2230a_100011243677_100000204255 [0,1,0,0,0,1|2,0,0]=4 9298 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,1,0,0,0,1|0,0,0]=2 9299 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,1,0,0,0,1|0,0,0]=2 9300 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,1,0,0,0,1|0,0,0]=2 9301 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,1,0,0,0,1|0,0,0]=2 9302 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000204255_100000721315 [0,1,0,0,0,1|1,0,0]=3 9303 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000721315_100000204255 [0,1,0,0,0,1|1,0,0]=3 9304 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000204255_100000741622 [0,1,0,0,0,1|1,0,0]=3 9305 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000741622_100000204255 [0,1,0,0,0,1|1,0,0]=3 9306 B14R1.716 COC(=O)CCSCc1cccnn1 62a_100000204255_100016990269 [0,1,0,0,0,1|2,0,0]=4 9307 B14R1.716 COC(=O)CCSCc1cccnn1 62a_100016990269_100000204255 [0,1,0,0,0,1|2,0,0]=4 9308 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100000204255_100015193705 [0,1,0,0,0,1|1,0,0]=3 9309 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100015193705_100000204255 [0,1,0,0,0,1|1,0,0]=3 9310 B14R1.716 COC(=O)CCSCc1cnccn1 62a_100000204255_100016995436 [0,1,0,0,0,1|2,0,0]=4 9311 B14R1.716 COC(=O)CCSCc1cnccn1 62a_100016995436_100000204255 [0,1,0,0,0,1|2,0,0]=4 9312 B14R1.716 COC(=O)CCSCc1cncnc1 62a_100000204255_100015196519 [0,1,0,0,0,1|2,0,0]=4 9313 B14R1.716 COC(=O)CCSCc1cncnc1 62a_100015196519_100000204255 [0,1,0,0,0,1|2,0,0]=4 9314 B14R1.716 COC(=O)CCSCc1ncccn1 62a_100000204255_100000703007 [0,1,0,0,0,1|2,0,0]=4 9315 B14R1.716 COC(=O)CCSCc1ncccn1 62a_100000703007_100000204255 [0,1,0,0,0,1|2,0,0]=4 9316 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,1,0,0,0,1|0,0,0]=2 9317 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,1,0,0,0,1|0,0,0]=2 9318 B14R1.716 COC(=O)CNCCc1cccnc1 2230a_100000736294_100000747449 [0,1,0,0,0,1|1,0,0]=3 9319 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,1,0,0,0,1|0,0,0]=2 9320 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,1,0,0,0,1|0,0,0]=2 9321 B14R1.716 COC(=O)COCCc1ccccn1 34a_100000210271_100000747449 [0,1,0,0,0,1|1,0,0]=3 9322 B14R1.716 COC(=O)COCCc1cccnc1 34a_100011217484_100000747449 [0,1,0,0,0,1|1,0,0]=3 9323 B14R1.716 COC(=O)COCCc1ccncc1 34a_100011216225_100000747449 [0,1,0,0,0,1|1,0,0]=3 9324 B14R1.716 COC(=O)COCCc1cnccn1 34a_100011349526_100000747449 [0,1,0,0,0,1|2,0,0]=4 9325 B14R1.716 COC(=O)COCCc1cncnc1 34a_100011709255_100000747449 [0,1,0,0,0,1|2,0,0]=4 9326 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,1,0,0,0,1|0,0,0]=2 9327 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,1,0,0,0,1|0,0,0]=2 9328 B14R1.716 COC(=O)CSCCc1ccccn1 62a_100000747449_100015183660 [0,1,0,0,0,1|1,0,0]=3 9329 B14R1.716 COC(=O)CSCCc1ccccn1 62a_100015183660_100000747449 [0,1,0,0,0,1|1,0,0]=3 9330 B14R1.716 COC(=O)CSCCc1cccnc1 62a_100000747449_200011713674 [0,1,0,0,0,1|1,0,0]=3 9331 B14R1.716 COC(=O)CSCCc1cccnc1 62a_200011713674_100000747449 [0,1,0,0,0,1|1,0,0]=3 9332 B14R1.716 COC(=O)CSCCc1ccncc1 62a_100000723409_100000747449 [0,1,0,0,0,1|1,0,0]=3 9333 B14R1.716 COC(=O)CSCCc1ccncc1 62a_100000747449_100000723409 [0,1,0,0,0,1|1,0,0]=3 9334 B14R1.716 COC(=O)CSCSc1ccccc1 62a_100000747449_100011218342 [0,1,0,0,0,1|1,0,0]=3 9335 B14R1.716 COC(=O)CSCSc1ccccc1 62a_100011218342_100000747449 [0,1,0,0,0,1|1,0,0]=3 9336 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,1,0,0,0,1|1,0,0]=3 9337 B14R1.716 COC(=O)OCSCc1ccccn1 62a_100000721315_100000139417 [0,1,0,0,0,1|2,0,0]=4 9338 B14R1.716 COC(=O)OCSCc1cccnc1 62a_100000741622_100000139417 [0,1,0,0,0,1|2,0,0]=4 9339 B14R1.716 COC(=O)OCSCc1ccncc1 62a_100015193705_100000139417 [0,1,0,0,0,1|2,0,0]=4 9340 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [0,1,0,0,0,1|1,0,1]=4 9341 B14R1.716 COC(C)COCCc1ccccc1 34a_100000690652_100000765856 [0,1,0,0,0,1|1,0,1]=4 9342 B14R1.716 COC(C)SCCCc1ccccc1 62a_100000211621_100009879195 [0,1,0,0,0,1|1,0,1]=4 9343 B14R1.716 COC(C)SCCCc1ccccc1 62a_100009879195_100000211621 [0,1,0,0,0,1|1,0,1]=4 9344 B14R1.716 CO[C@H](C)CNCCc1ccccc1 2230a_100020591295_100000765856 [0,1,0,0,0,1|1,0,1]=4 9345 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 2230a_100000106460_100000059175 [0,1,0,0,0,1|1,0,1]=4 9346 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 34a_100000106460_100000059175 [0,1,0,0,0,1|1,0,1]=4 9347 B14R1.716 C[C@@H](CO)COCCc1ccccc1 34a_100000210268_100000059175 [0,1,0,0,0,1|1,0,1]=4 9348 B14R1.716 C[C@@H](CO)COCCc1ccccc1 7a_100000210268_100000059175 [0,1,0,0,0,1|1,0,1]=4 9349 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000059175_100011218657 [0,1,0,0,0,1|1,0,1]=4 9350 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000765856_100000059175 [0,1,0,0,0,1|1,0,1]=4 9351 B14R1.716 C[C@H](CO)NCCCc1ccccc1 2230a_100000737577_100000211621 [0,1,0,0,0,1|1,0,1]=4 9352 B14R1.716 C[C@H](CO)SCCCc1ccccc1 62a_100000211621_100016084084 [0,1,0,0,0,1|1,0,1]=4 9353 B14R1.716 C[C@H](CO)SCCCc1ccccc1 62a_100016084084_100000211621 [0,1,0,0,0,1|1,0,1]=4 9354 B14R1.716 NC(=NO)CCOCc1ccccc1 34a_100000749954_100015291786 [0,1,0,0,0,1|1,0,0]=3 9355 B14R1.716 NC(=NO)CCOCc1ccccn1 34a_100000749954_100000721315 [0,1,0,0,0,1|2,0,0]=4 9356 B14R1.716 NC(=NO)CCOCc1cccnc1 34a_100000749954_100000733263 [0,1,0,0,0,1|2,0,0]=4 9357 B14R1.716 O=C(C=CCCc1ccccc1)CF 1458a_100016484021_100015361967 [0,1,0,0,0,1|1,0,1]=4 9358 B14R1.716 O=C(CF)CCCCc1ccccc1 1458a_100011215911_100015361967 [0,1,0,0,0,1|1,0,0]=3 9359 B14R1.716 O=C(CF)CCCOc1ccccc1 1458a_100000212059_100015361967 [0,1,0,0,0,1|1,0,0]=3 9360 B14R1.716 O=C(CF)CCCSc1ccccc1 1458a_100000182835_100015361967 [0,1,0,0,0,1|1,0,0]=3 9361 B14R1.716 O=C(CF)CCOCc1ccccc1 1458a_100000743319_100015361967 [0,1,0,0,0,1|1,0,0]=3 9362 B14R1.716 O=C(CF)CCSCc1ccccc1 1458a_100000173759_100015361967 [0,1,0,0,0,1|1,0,0]=3 9363 B14R1.716 O=C(CF)CCSCc1ccccn1 1458a_100000742633_100015361967 [0,1,0,0,0,1|2,0,0]=4 9364 B14R1.716 O=C(CO)CCCCc1ccccc1 1458a_100000210174_100000701786 [0,1,0,0,0,1|0,0,0]=2 9365 B14R1.716 O=C(CO)CCCCc1ccncc1 1458a_100000210174_100020630000 [0,1,0,0,0,1|1,0,0]=3 9366 B14R1.716 O=C(CO)CCCOc1ccccc1 1458a_100000210174_100000199009 [0,1,0,0,0,1|0,0,0]=2 9367 B14R1.716 O=C(CO)CCCSc1ccccc1 1458a_100000210174_200011203293 [0,1,0,0,0,1|0,0,0]=2 9368 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [0,1,0,0,0,1|0,0,0]=2 9369 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [0,1,0,0,0,1|0,0,0]=2 9370 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [0,1,0,0,0,1|0,0,2]=4 9371 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [0,1,0,0,0,1|0,0,2]=4 9372 B14R1.716 O=C(CO)NCC#Cc1ccccc1 240690a_100000735379_100000210174 [0,1,0,0,0,1|0,0,2]=4 9373 B14R1.716 O=C(CO)NCC#Cc1ccccc1 527a_100000735379_100000210174 [0,1,0,0,0,1|0,0,2]=4 9374 B14R1.716 O=C(CO)NCCCc1ccccc1 240690a_100000211184_100000210174 [0,1,0,0,0,1|0,0,0]=2 9375 B14R1.716 O=C(CO)NCCCc1ccccc1 527a_100000211184_100000210174 [0,1,0,0,0,1|0,0,0]=2 9376 B14R1.716 O=C(CO)NCCCc1ccccn1 240690a_100000689020_100000210174 [0,1,0,0,0,1|1,0,0]=3 9377 B14R1.716 O=C(CO)NCCCc1ccccn1 527a_100000689020_100000210174 [0,1,0,0,0,1|1,0,0]=3 9378 B14R1.716 O=C(CO)NCCCc1cccnc1 240690a_100011532358_100000210174 [0,1,0,0,0,1|1,0,0]=3 9379 B14R1.716 O=C(CO)NCCCc1ccncc1 240690a_100011275580_100000210174 [0,1,0,0,0,1|1,0,0]=3 9380 B14R1.716 O=C(CO)NCCCc1ccncc1 527a_100011275580_100000210174 [0,1,0,0,0,1|1,0,0]=3 9381 B14R1.716 O=C(CO)NCCOc1ccccc1 240690a_100000174943_100000210174 [0,1,0,0,0,1|1,0,0]=3 9382 B14R1.716 O=C(CO)NCCOc1ccccc1 527a_100000174943_100000210174 [0,1,0,0,0,1|1,0,0]=3 9383 B14R1.716 O=C(CO)NCCOc1ccccn1 240690a_106741647558_100000210174 [0,1,0,0,0,1|2,0,0]=4 9384 B14R1.716 O=C(CO)NCCOc1ccccn1 527a_106741647558_100000210174 [0,1,0,0,0,1|2,0,0]=4 9385 B14R1.716 O=C(CO)NCCOc1cccnc1 240690a_100000754688_100000210174 [0,1,0,0,0,1|2,0,0]=4 9386 B14R1.716 O=C(CO)NCCOc1cccnc1 527a_100000754688_100000210174 [0,1,0,0,0,1|2,0,0]=4 9387 B14R1.716 O=C(CO)NCCOc1ccncc1 240690a_100025717301_100000210174 [0,1,0,0,0,1|2,0,0]=4 9388 B14R1.716 O=C(CO)NCCOc1ccncc1 527a_100025717301_100000210174 [0,1,0,0,0,1|2,0,0]=4 9389 B14R1.716 O=C(CO)NCCSc1ccccc1 240690a_100000189519_100000210174 [0,1,0,0,0,1|1,0,0]=3 9390 B14R1.716 O=C(CO)NCCSc1ccccc1 527a_100000189519_100000210174 [0,1,0,0,0,1|1,0,0]=3 9391 B14R1.716 O=C(CO)NNCCc1ccccc1 22a_100000740470_100000210174 [0,1,0,0,0,1|1,0,0]=3 9392 B14R1.716 OCC(O)CNCCc1ccccc1 2230a_100000106460_100011219619 [0,1,0,0,0,1|0,0,2]=4 9393 B14R1.716 OCC(O)CNCCc1ccccc1 34a_100000106460_100011219619 [0,1,0,0,0,1|0,0,2]=4 9394 B14R1.716 OCC(O)COCCc1ccccc1 34a_100000210268_100011219619 [0,1,0,0,0,1|0,0,2]=4 9395 B14R1.716 OCC(O)COCCc1ccccc1 7a_100000210268_100011219619 [0,1,0,0,0,1|0,0,2]=4 9396 B14R1.716 OCC(O)CSCCc1ccccc1 62a_100000765856_100011219619 [0,1,0,0,0,1|0,0,2]=4 9397 B14R1.716 OCC(O)CSCCc1ccccc1 62a_100011219619_100011218657 [0,1,0,0,0,1|0,0,2]=4 9398 B14R1.716 OC[C@@H](O)CNCCc1ccccc1 2230a_100020644852_100000765856 [0,1,0,0,0,1|0,0,2]=4 9399 B14R1.716 OC[C@H](F)CNCCc1ccccc1 34a_100015665980_100000765856 [0,1,0,0,0,1|1,0,1]=4 9400 B14R1.716 OC[C@H](O)CNCCc1ccccc1 2230a_100000106460_100009815848 [0,1,0,0,0,1|0,0,2]=4 9401 B14R1.716 OC[C@H](O)CNCCc1ccccc1 34a_100000106460_100009815848 [0,1,0,0,0,1|0,0,2]=4 9402 B14R1.716 OC[C@H](O)COCCc1ccccc1 34a_100000210268_100009815848 [0,1,0,0,0,1|0,0,2]=4 9403 B14R1.716 OC[C@H](O)COCCc1ccccc1 7a_100000210268_100009815848 [0,1,0,0,0,1|0,0,2]=4 9404 B14R1.716 OC[C@H](O)CSCCc1ccccc1 62a_100000765856_100009815848 [0,1,0,0,0,1|0,0,2]=4 9405 B14R1.716 OC[C@H](O)CSCCc1ccccc1 62a_100009815848_100011218657 [0,1,0,0,0,1|0,0,2]=4 9406 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 2230a_100000106460_100015614560 [0,1,0,0,0,1|1,0,1]=4 9407 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 34a_100000106460_100015614560 [0,1,0,0,0,1|1,0,1]=4 9408 B14R1.716 O[C@@H](CF)COCCc1ccccc1 34a_100000210268_100015614560 [0,1,0,0,0,1|1,0,1]=4 9409 B14R1.716 O[C@@H](CF)COCCc1ccccc1 7a_100000210268_100015614560 [0,1,0,0,0,1|1,0,1]=4 9410 B14R1.716 O[C@@H](CF)CSCCc1ccccc1 62a_100000765856_100015614560 [0,1,0,0,0,1|1,0,1]=4 9411 B14R1.716 O[C@@H](CF)CSCCc1ccccc1 62a_100015614560_100011218657 [0,1,0,0,0,1|1,0,1]=4 9412 B14R1.818 C=C(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000748629 [0,1,0,0,0,1|2,0,0]=4 9413 B14R1.818 C=C(C)CN(C)CCc1ccccc1 2230a_100000207497_100000748629 [0,1,0,0,0,1|2,0,0]=4 9414 B14R1.818 C=C(C)CN(C)CCc1ccccc1 2230a_100000225649_100000765856 [0,1,0,0,0,1|2,0,0]=4 9415 B14R1.818 C=C(C)CN(C)CCc1ccccc1 269982a_100000207497_100000748629 [0,1,0,0,0,1|2,0,0]=4 9416 B14R1.818 C=C(C)CN(C)CCc1ccccc1 269982a_100000225649_100000765856 [0,1,0,0,0,1|2,0,0]=4 9417 B14R1.818 C=C(F)CC(=O)CCc1ccccc1 1458a_100000185753_100009893438 [0,1,0,0,0,1|2,0,0]=4 9418 B14R1.818 C=C(F)CN(C)CCc1ccccc1 2230a_100000207497_100009893438 [0,1,0,0,0,1|2,0,0]=4 9419 B14R1.818 C=C(F)CN(C)CCc1ccccc1 269982a_100000207497_100009893438 [0,1,0,0,0,1|2,0,0]=4 9420 B14R1.818 CC(=O)CC(=O)CCc1ccccc1 1458a_100000070787_100012361361 [0,1,0,0,0,1|1,0,0]=3 9421 B14R1.818 CC(=O)CC(=O)NCc1ccccc1 1458a_100000070787_100000183539 [0,1,0,0,0,1|1,0,1]=4 9422 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 1458a_100000037839_200000210301 [0,1,0,0,0,1|1,0,1]=4 9423 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 1458a_100000070787_100000753625 [0,1,0,0,0,1|1,0,1]=4 9424 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,1,0,0,0,1|1,0,0]=3 9425 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,1,0,0,0,1|1,0,0]=3 9426 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,1,0,0,0,1|1,0,0]=3 9427 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,1,0,0,0,1|1,0,0]=3 9428 B14R1.818 CC(=O)NC(C)COc1ccccc1 11a_100000746794_100015343762 [0,1,0,0,0,1|2,0,0]=4 9429 B14R1.818 CC(=O)NC(C)COc1ccccc1 1626a_100000746794_100015343762 [0,1,0,0,0,1|2,0,0]=4 9430 B14R1.818 CC(=O)NC(C)COc1ccccc1 240690a_100000746794_100015343762 [0,1,0,0,0,1|2,0,0]=4 9431 B14R1.818 CC(=O)NC(C)COc1ccccc1 527a_100000746794_100103153847 [0,1,0,0,0,1|2,0,0]=4 9432 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [0,1,0,0,0,1|2,0,0]=4 9433 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [0,1,0,0,0,1|2,0,0]=4 9434 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [0,1,0,0,0,1|1,0,1]=4 9435 B14R1.818 CC(O)CN(C)CCc1ccccc1 2230a_100000207497_100011218427 [0,1,0,0,0,1|1,0,1]=4 9436 B14R1.818 CC(O)CN(C)CCc1ccccc1 2230a_100000227577_100000765856 [0,1,0,0,0,1|1,0,1]=4 9437 B14R1.818 CC(O)CN(C)CCc1ccccc1 269982a_100000207497_100011218427 [0,1,0,0,0,1|1,0,1]=4 9438 B14R1.818 CC(O)CN(C)CCc1ccccc1 269982a_100000227577_100000765856 [0,1,0,0,0,1|1,0,1]=4 9439 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000207497_100000747473 [0,1,0,0,0,1|1,0,0]=3 9440 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000739694_100000765856 [0,1,0,0,0,1|1,0,0]=3 9441 B14R1.818 CN(CCc1ccccc1)CC(=O)N 269982a_100000207497_100000187820 [0,1,0,0,0,1|1,0,0]=3 9442 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,1,0,0,0,1|0,0,0]=2 9443 B14R1.818 CN(CCc1ccccc1)CC(=O)[O-] 269982a_100000207497_100020667443 [0,1,0,0,0,1|0,0,1]=3 9444 B14R1.818 CN(CCc1ccccc1)C[N+](=O)[O-] 269982a_100000207497_100000761209 [0,1,0,0,0,1|1,0,1]=4 9445 B14R1.818 CN(CCc1ccccn1)CC(=O)N 2230a_100000737206_100000747473 [0,1,0,0,0,1|2,0,0]=4 9446 B14R1.818 CN(CCc1ccccn1)CC(=O)N 2230a_100000739694_100015183660 [0,1,0,0,0,1|2,0,0]=4 9447 B14R1.818 CN(CCc1ccccn1)CC(=O)N 269982a_100000737206_100000187820 [0,1,0,0,0,1|2,0,0]=4 9448 B14R1.818 CN(CCc1ccccn1)CC(=O)O 269956a_100000746989_100015183660 [0,1,0,0,0,1|1,0,0]=3 9449 B14R1.818 CN(CCc1ccccn1)CC(=O)[O-] 269982a_100000737206_100020667443 [0,1,0,0,0,1|1,0,1]=4 9450 B14R1.818 CN(CCc1cccnc1)CC(=O)N 2230a_100000739694_200011713674 [0,1,0,0,0,1|2,0,0]=4 9451 B14R1.818 CN(CCc1cccnc1)CC(=O)N 2230a_100000763209_100000747473 [0,1,0,0,0,1|2,0,0]=4 9452 B14R1.818 CN(CCc1cccnc1)CC(=O)N 269982a_100000763209_100000187820 [0,1,0,0,0,1|2,0,0]=4 9453 B14R1.818 CN(CCc1cccnc1)CC(=O)O 269956a_100000746989_200011713674 [0,1,0,0,0,1|1,0,0]=3 9454 B14R1.818 CN(CCc1cccnc1)CC(=O)[O-] 269982a_100000763209_100020667443 [0,1,0,0,0,1|1,0,1]=4 9455 B14R1.818 CN(CCc1ccncc1)CC(=O)N 2230a_100000739694_100000723409 [0,1,0,0,0,1|2,0,0]=4 9456 B14R1.818 CN(CCc1ccncc1)CC(=O)N 2230a_100000742850_100000747473 [0,1,0,0,0,1|2,0,0]=4 9457 B14R1.818 CN(CCc1ccncc1)CC(=O)N 269982a_100000742850_100000187820 [0,1,0,0,0,1|2,0,0]=4 9458 B14R1.818 CN(CCc1ccncc1)CC(=O)O 269956a_100000746989_100000723409 [0,1,0,0,0,1|1,0,0]=3 9459 B14R1.818 CN(CCc1ccncc1)CC(=O)[O-] 269982a_100000742850_100020667443 [0,1,0,0,0,1|1,0,1]=4 9460 B14R1.818 CN(CSc1ccccc1)CC(=O)N 2230a_100000739694_100011218342 [0,1,0,0,0,1|2,0,0]=4 9461 B14R1.818 CN(CSc1ccccc1)CC(=O)O 269956a_100000746989_100011218342 [0,1,0,0,0,1|1,0,0]=3 9462 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [0,1,0,0,0,1|1,0,1]=4 9463 B14R1.818 C[C@@H](O)CN(C)CCc1ccccc1 2230a_100000207497_100009817552 [0,1,0,0,0,1|1,0,1]=4 9464 B14R1.818 C[C@@H](O)CN(C)CCc1ccccc1 269982a_100000207497_100009817552 [0,1,0,0,0,1|1,0,1]=4 9465 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000187820 [0,1,0,0,0,1|1,0,0]=3 9466 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100134613110_100000765856 [0,1,0,0,0,1|1,0,0]=3 9467 B14R1.818 NC(=O)CC(=O)CCc1ccccn1 1458a_100015195070_100000187820 [0,1,0,0,0,1|2,0,0]=4 9468 B14R1.818 NC(=O)CC(=O)CCc1ccccn1 1458a_100134613110_100015183660 [0,1,0,0,0,1|2,0,0]=4 9469 B14R1.818 NC(=O)CC(=O)CCc1cccnc1 1458a_100000198484_100000187820 [0,1,0,0,0,1|2,0,0]=4 9470 B14R1.818 NC(=O)CC(=O)CCc1cccnc1 1458a_100134613110_200011713674 [0,1,0,0,0,1|2,0,0]=4 9471 B14R1.818 NC(=O)CC(=O)CCc1ccncc1 1458a_100011225043_100000187820 [0,1,0,0,0,1|2,0,0]=4 9472 B14R1.818 NC(=O)CC(=O)CCc1ccncc1 1458a_100134613110_100000723409 [0,1,0,0,0,1|2,0,0]=4 9473 B14R1.818 NC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000187820 [0,1,0,0,0,1|1,0,1]=4 9474 B14R1.818 NC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000187820 [0,1,0,0,0,1|1,0,1]=4 9475 B14R1.818 NC(=O)CC(=O)NCc1ccccc1 240690a_100015324214_100134613110 [0,1,0,0,0,1|1,0,1]=4 9476 B14R1.818 NC(=O)CC(=O)NCc1ccccc1 527a_100015324214_100134613110 [0,1,0,0,0,1|1,0,1]=4 9477 B14R1.818 O=C(CCc1ccccc1)C[N+](=O)[O-] 1458a_100000185753_100000761209 [0,1,0,0,0,1|1,0,1]=4 9478 B14R1.818 O=C([O-])CC(=O)CCc1ccccc1 1458a_100000185753_100020667443 [0,1,0,0,0,1|0,0,1]=3 9479 B14R1.818 O=C([O-])CC(=O)CCc1ccccn1 1458a_100015195070_100020667443 [0,1,0,0,0,1|1,0,1]=4 9480 B14R1.818 O=C([O-])CC(=O)CCc1cccnc1 1458a_100000198484_100020667443 [0,1,0,0,0,1|1,0,1]=4 9481 B14R1.818 O=C([O-])CC(=O)CCc1ccncc1 1458a_100011225043_100020667443 [0,1,0,0,0,1|1,0,1]=4 9482 B14R1.818 O=C([O-])CC(=O)COc1ccccc1 1458a_100000186222_100020667443 [0,1,0,0,0,1|0,0,2]=4 9483 B14R1.818 O=C([O-])CC(=O)CSc1ccccc1 1458a_100000211596_100020667443 [0,1,0,0,0,1|0,0,2]=4 9484 B14R1.818 [13CH3]C(=O)CC(=O)OCc1ccccc1 1458a_100000037839_200025704644 [0,1,0,0,0,1|1,0,1]=4 9485 B14R1.3331 CC(C)(O)CCCNc1ccccc1 34a_100000106764_100009888830 [0,1,0,0,0,1|1,0,1]=4 9486 B14R1.3331 CC(C)(O)CCCOc1ccccc1 34a_100000210340_100009888830 [0,1,0,0,0,1|1,0,1]=4 9487 B14R1.3331 CC(C)(O)CCCOc1ccccc1 7a_100000210340_100009888830 [0,1,0,0,0,1|1,0,1]=4 9488 B14R1.3331 CC(C)(O)CCCSc1ccccc1 62a_100000719477_100009888830 [0,1,0,0,0,1|1,0,1]=4 9489 B14R1.3331 CC(C)(O)CCCSc1ccccc1 62a_100009888830_100000041952 [0,1,0,0,0,1|1,0,1]=4 9490 B14R1.3331 CC(C)(O)CCNCc1ccccc1 207a_100000707701_100015611070 [0,1,0,0,0,1|1,0,1]=4 9491 B14R1.3331 CC(C)(O)CCNCc1ccccc1 2230a_100015324214_100000702414 [0,1,0,0,0,1|1,0,1]=4 9492 B14R1.3331 CC(C)(O)CCNCc1ccccc1 270004a_100000707701_100015611070 [0,1,0,0,0,1|1,0,1]=4 9493 B14R1.3331 CC(C)(O)CCNCc1ccccc1 34a_100015324214_100000702414 [0,1,0,0,0,1|1,0,1]=4 9494 B14R1.3331 CC(C)(O)CCOCc1ccccc1 34a_100000210790_100000702414 [0,1,0,0,0,1|1,0,1]=4 9495 B14R1.3331 CC(C)(O)CCOCc1ccccc1 7a_100000210790_100000702414 [0,1,0,0,0,1|1,0,1]=4 9496 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000211182_100000702414 [0,1,0,0,0,1|1,0,1]=4 9497 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000702414_100015291786 [0,1,0,0,0,1|1,0,1]=4 9498 B14R1.3331 CC(C)(O)CNCCc1ccccc1 2230a_100000751335_100000765856 [0,1,0,0,0,1|1,0,1]=4 9499 B14R1.3331 CC(C)(O)CNCCc1ccccc1 34a_100000106460_100000764493 [0,1,0,0,0,1|1,0,1]=4 9500 B14R1.3331 CC(C)(O)COCCc1ccccc1 34a_100000210268_100000764493 [0,1,0,0,0,1|1,0,1]=4 9501 B14R1.3331 CC(C)(O)COCCc1ccccc1 7a_100000210268_100000764493 [0,1,0,0,0,1|1,0,1]=4 9502 B14R1.3331 CC(C)(O)CSCCc1ccccc1 62a_100000764493_100011218657 [0,1,0,0,0,1|1,0,1]=4 9503 B14R1.3331 CC(C)(O)CSCCc1ccccc1 62a_100000765856_100000764493 [0,1,0,0,0,1|1,0,1]=4 9504 B14R1.3331 CS(=O)(=O)CCCNc1ccccc1 34a_100000106764_100000754308 [0,1,0,0,0,1|1,0,1]=4 9505 B14R1.3331 CS(=O)(=O)CCCOc1ccccc1 34a_100000210340_100000754308 [0,1,0,0,0,1|1,0,1]=4 9506 B14R1.3331 CS(=O)(=O)CCCOc1ccccc1 7a_100000210340_100000754308 [0,1,0,0,0,1|1,0,1]=4 9507 B14R1.3331 CS(=O)(=O)CCCSc1ccccc1 62a_100000719477_100000754308 [0,1,0,0,0,1|1,0,1]=4 9508 B14R1.3331 CS(=O)(=O)CCCSc1ccccc1 62a_100000754308_100000041952 [0,1,0,0,0,1|1,0,1]=4 9509 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 207a_100000740961_100015611070 [0,1,0,0,0,1|1,0,1]=4 9510 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 2230a_100000740961_100015291786 [0,1,0,0,0,1|1,0,1]=4 9511 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 2230a_100015324214_100000731031 [0,1,0,0,0,1|1,0,1]=4 9512 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 270004a_100000740961_100015611070 [0,1,0,0,0,1|1,0,1]=4 9513 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 34a_100000740961_100015291786 [0,1,0,0,0,1|1,0,1]=4 9514 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 34a_100015324214_100000731031 [0,1,0,0,0,1|1,0,1]=4 9515 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 34a_100000210790_100000731031 [0,1,0,0,0,1|1,0,1]=4 9516 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 34a_100000211924_100015291786 [0,1,0,0,0,1|1,0,1]=4 9517 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 7a_100000210790_100000230027 [0,1,0,0,0,1|1,0,1]=4 9518 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 7a_100000211924_100000211182 [0,1,0,0,0,1|1,0,1]=4 9519 B14R1.3331 CS(=O)(=O)CCSCc1ccccc1 62a_100000211182_100000230027 [0,1,0,0,0,1|1,0,1]=4 9520 B14R1.3331 CS(=O)(=O)CCSCc1ccccc1 62a_100000731031_100015291786 [0,1,0,0,0,1|1,0,1]=4 9521 B14R1.3331 CS(=O)(=O)NCCCc1ccccc1 40a_100000211184_100000738038 [0,1,0,0,0,1|1,0,1]=4 9522 B14R1.3331 NS(=O)(=O)CCCNc1ccccc1 34a_100000106764_100000750626 [0,1,0,0,0,1|1,0,1]=4 9523 B14R1.3331 NS(=O)(=O)CCCOc1ccccc1 34a_100000210340_100000750626 [0,1,0,0,0,1|1,0,1]=4 9524 B14R1.3331 NS(=O)(=O)CCCOc1ccccc1 7a_100000210340_100000750626 [0,1,0,0,0,1|1,0,1]=4 9525 B14R1.3331 NS(=O)(=O)CCCSc1ccccc1 62a_100000719477_100000750626 [0,1,0,0,0,1|1,0,1]=4 9526 B14R1.3331 NS(=O)(=O)CCCSc1ccccc1 62a_100000750626_100000041952 [0,1,0,0,0,1|1,0,1]=4 9527 B14R1.3331 NS(=O)(=O)CCNCc1ccccc1 207a_100000738205_100015611070 [0,1,0,0,0,1|1,0,1]=4 9528 B14R1.3331 NS(=O)(=O)CCNCc1ccccc1 2230a_100000738205_100015291786 [0,1,0,0,0,1|1,0,1]=4 9529 B14R1.3331 NS(=O)(=O)CCNCc1ccccc1 270004a_100000738205_100015611070 [0,1,0,0,0,1|1,0,1]=4 9530 B14R1.3331 NS(=O)(=O)CCNCc1ccccc1 34a_100000738205_100015291786 [0,1,0,0,0,1|1,0,1]=4 9531 B14R1.3331 NS(=O)(=O)CCOCc1ccccc1 34a_100012334274_100015291786 [0,1,0,0,0,1|1,0,1]=4 9532 B14R1.3331 NS(=O)(=O)CSCCc1ccccc1 62a_100000741382_100011218657 [0,1,0,0,0,1|1,0,1]=4 9533 B14R1.3331 NS(=O)(=O)CSCCc1ccccc1 62a_100000765856_100000741382 [0,1,0,0,0,1|1,0,1]=4 9534 B14R1.3331 O=S(=O)([O-])CCCNc1ccccc1 34a_100000106764_100009813499 [0,1,0,0,0,1|1,0,1]=4 9535 B14R1.3331 O=S(=O)([O-])CCCOc1ccccc1 34a_100000210340_100009813499 [0,1,0,0,0,1|1,0,1]=4 9536 B14R1.3331 O=S(=O)([O-])CCCSc1ccccc1 62a_100000719477_100009813499 [0,1,0,0,0,1|1,0,1]=4 9537 B14R1.3331 O=S(=O)([O-])CCCSc1ccccc1 62a_100009813499_100000041952 [0,1,0,0,0,1|1,0,1]=4 9538 B14R1.3331 O=S(=O)([O-])CCNCc1ccccc1 2230a_100015324214_100000737633 [0,1,0,0,0,1|1,0,1]=4 9539 B14R1.3331 O=S(=O)([O-])CCNCc1ccccc1 34a_100015324214_100000762736 [0,1,0,0,0,1|1,0,1]=4 9540 B14R1.3331 O=S(=O)([O-])CCOCc1ccccc1 34a_100000210790_100000762736 [0,1,0,0,0,1|1,0,1]=4 9541 B14R1.3331 O=S(=O)([O-])CCSCc1ccccc1 62a_100000211182_100000762736 [0,1,0,0,0,1|1,0,1]=4 9542 B14R1.3331 O=S(=O)([O-])CCSCc1ccccc1 62a_100000762736_100015291786 [0,1,0,0,0,1|1,0,1]=4 9543 B14R1.3331 O=S(=O)([O-])CNCCc1ccccc1 34a_100000106460_100009817235 [0,1,0,0,0,1|1,0,1]=4 9544 B14R1.3331 O=S(=O)([O-])COCCc1ccccc1 34a_100000210268_100009817235 [0,1,0,0,0,1|1,0,1]=4 9545 B14R1.3331 O=S(=O)([O-])CSCCc1ccccc1 62a_100000765856_100009817235 [0,1,0,0,0,1|1,0,1]=4 9546 B14R1.3331 O=S(=O)([O-])CSCCc1ccccc1 62a_100009817235_100011218657 [0,1,0,0,0,1|1,0,1]=4 9547 B14R1.6449 C=C(C)C(=O)CCCc1ccccc1 1458a_100000185857_100000211621 [0,1,0,0,0,1|2,0,0]=4 9548 B14R1.6449 C=C(C)C(C)NCCc1ccccc1 269862a_100000106460_100011216138 [0,1,0,0,0,1|2,0,0]=4 9549 B14R1.6449 CC(=O)C(=O)CNCc1ccccc1 34a_100015324214_100011261029 [0,1,0,0,0,1|1,0,1]=4 9550 B14R1.6449 CC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011261029 [0,1,0,0,0,1|1,0,1]=4 9551 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100011261029 [0,1,0,0,0,1|1,0,1]=4 9552 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100011261029_100015291786 [0,1,0,0,0,1|1,0,1]=4 9553 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,1,0,0,0,1|1,0,0]=3 9554 B14R1.6449 CC(=O)C(C)COCc1ccccc1 34a_100000032740_100015291786 [0,1,0,0,0,1|1,0,0]=3 9555 B14R1.6449 CC(=O)C(C)COCc1ccccc1 7a_100000032740_100000211182 [0,1,0,0,0,1|1,0,0]=3 9556 B14R1.6449 CC(=O)C(C)COCc1ccccn1 34a_100000032740_100000721315 [0,1,0,0,0,1|2,0,0]=4 9557 B14R1.6449 CC(=O)C(C)COCc1ccccn1 7a_100000032740_100000721315 [0,1,0,0,0,1|2,0,0]=4 9558 B14R1.6449 CC(=O)C(C)COCc1cccnc1 34a_100000032740_100000733263 [0,1,0,0,0,1|2,0,0]=4 9559 B14R1.6449 CC(=O)C(C)COCc1cccnc1 7a_100000032740_100000741622 [0,1,0,0,0,1|2,0,0]=4 9560 B14R1.6449 CC(=O)C(C)COCc1ccncc1 7a_100000032740_100015193705 [0,1,0,0,0,1|2,0,0]=4 9561 B14R1.6449 CC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100009814033 [0,1,0,0,0,1|1,0,0]=3 9562 B14R1.6449 CC(=O)C(C)NCCc1cccnc1 2230a_100000736294_100009814033 [0,1,0,0,0,1|2,0,0]=4 9563 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 34a_100000212229_100000765856 [0,1,0,0,0,1|1,0,0]=3 9564 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000179758 [0,1,0,0,0,1|1,0,0]=3 9565 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100000765856_100009814033 [0,1,0,0,0,1|1,0,0]=3 9566 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100009814033_100011218657 [0,1,0,0,0,1|1,0,0]=3 9567 B14R1.6449 CC(=O)C(C)SCCc1ccccn1 62a_100009814033_100015183660 [0,1,0,0,0,1|2,0,0]=4 9568 B14R1.6449 CC(=O)C(C)SCCc1ccccn1 62a_100015183660_100009814033 [0,1,0,0,0,1|2,0,0]=4 9569 B14R1.6449 CC(=O)C(C)SCCc1cccnc1 62a_100009814033_200011713674 [0,1,0,0,0,1|2,0,0]=4 9570 B14R1.6449 CC(=O)C(C)SCCc1cccnc1 62a_200011713674_100009814033 [0,1,0,0,0,1|2,0,0]=4 9571 B14R1.6449 CC(=O)C(C)SCCc1ccncc1 62a_100000723409_100009814033 [0,1,0,0,0,1|2,0,0]=4 9572 B14R1.6449 CC(=O)C(C)SCCc1ccncc1 62a_100009814033_100000723409 [0,1,0,0,0,1|2,0,0]=4 9573 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100009814033_100011218342 [0,1,0,0,0,1|2,0,0]=4 9574 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100011218342_100009814033 [0,1,0,0,0,1|2,0,0]=4 9575 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 11a_100000693637_100015343762 [0,1,0,0,0,1|1,0,0]=3 9576 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 1626a_100000693637_100015343762 [0,1,0,0,0,1|1,0,0]=3 9577 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 240690a_100000693637_100015343762 [0,1,0,0,0,1|1,0,0]=3 9578 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 527a_100000693637_100103153847 [0,1,0,0,0,1|1,0,0]=3 9579 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 11a_100000184383_100015343762 [0,1,0,0,0,1|2,0,0]=4 9580 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 1626a_100000184383_100015343762 [0,1,0,0,0,1|2,0,0]=4 9581 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 240690a_100000184383_100015343762 [0,1,0,0,0,1|2,0,0]=4 9582 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 527a_100000184383_100103153847 [0,1,0,0,0,1|2,0,0]=4 9583 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,1,0,0,0,1|0,0,0]=2 9584 B14R1.6449 CC(CNCc1ccccn1)C(=O)O 269956a_100000749485_100000721315 [0,1,0,0,0,1|1,0,0]=3 9585 B14R1.6449 CC(CNCc1cccnc1)C(=O)O 269956a_100000749485_100000733263 [0,1,0,0,0,1|1,0,0]=3 9586 B14R1.6449 CC(CNCc1cccnn1)C(=O)O 269956a_100000749485_100016990269 [0,1,0,0,0,1|2,0,0]=4 9587 B14R1.6449 CC(CNCc1ccncc1)C(=O)O 269956a_100000749485_100015193705 [0,1,0,0,0,1|1,0,0]=3 9588 B14R1.6449 CC(CNCc1cnccn1)C(=O)O 269956a_100000749485_100016995436 [0,1,0,0,0,1|2,0,0]=4 9589 B14R1.6449 CC(CNCc1cncnc1)C(=O)O 269956a_100000749485_100016991940 [0,1,0,0,0,1|2,0,0]=4 9590 B14R1.6449 CC(CNCc1ncccn1)C(=O)O 269956a_100000749485_100000703007 [0,1,0,0,0,1|2,0,0]=4 9591 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 34a_100000039676_100015291786 [0,1,0,0,0,1|1,0,1]=4 9592 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 7a_100000039676_100000211182 [0,1,0,0,0,1|1,0,1]=4 9593 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702099 [0,1,0,0,0,1|1,0,0]=3 9594 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702099 [0,1,0,0,0,1|1,0,0]=3 9595 B14R1.6449 CC(NCCc1cccnc1)C(=O)N 2230a_100000736294_100000702099 [0,1,0,0,0,1|2,0,0]=4 9596 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,1,0,0,0,1|1,0,0]=3 9597 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,1,0,0,0,1|1,0,0]=3 9598 B14R1.6449 CC(OCCc1ccccn1)C(=O)N 34a_100000210271_100000702099 [0,1,0,0,0,1|2,0,0]=4 9599 B14R1.6449 CC(OCCc1cccnc1)C(=O)N 34a_100011217484_100000702099 [0,1,0,0,0,1|2,0,0]=4 9600 B14R1.6449 CC(OCCc1ccncc1)C(=O)N 34a_100011216225_100000702099 [0,1,0,0,0,1|2,0,0]=4 9601 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000702099_100011218657 [0,1,0,0,0,1|1,0,0]=3 9602 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000765856_100000702099 [0,1,0,0,0,1|1,0,0]=3 9603 B14R1.6449 CC(SCCc1ccccn1)C(=O)N 62a_100000702099_100015183660 [0,1,0,0,0,1|2,0,0]=4 9604 B14R1.6449 CC(SCCc1ccccn1)C(=O)N 62a_100015183660_100000702099 [0,1,0,0,0,1|2,0,0]=4 9605 B14R1.6449 CC(SCCc1cccnc1)C(=O)N 62a_100000702099_200011713674 [0,1,0,0,0,1|2,0,0]=4 9606 B14R1.6449 CC(SCCc1cccnc1)C(=O)N 62a_200011713674_100000702099 [0,1,0,0,0,1|2,0,0]=4 9607 B14R1.6449 CC(SCCc1ccncc1)C(=O)N 62a_100000702099_100000723409 [0,1,0,0,0,1|2,0,0]=4 9608 B14R1.6449 CC(SCCc1ccncc1)C(=O)N 62a_100000723409_100000702099 [0,1,0,0,0,1|2,0,0]=4 9609 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100000702099_100011218342 [0,1,0,0,0,1|2,0,0]=4 9610 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100011218342_100000702099 [0,1,0,0,0,1|2,0,0]=4 9611 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 2230a_100000119354_100000765856 [0,1,0,0,0,1|1,0,0]=3 9612 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 34a_100000119354_100000765856 [0,1,0,0,0,1|1,0,0]=3 9613 B14R1.6449 C[C@@H](NCCc1ccccn1)C(=O)N 2230a_100000119354_100015183660 [0,1,0,0,0,1|2,0,0]=4 9614 B14R1.6449 C[C@@H](NCCc1cccnc1)C(=O)N 2230a_100000119354_200011713674 [0,1,0,0,0,1|2,0,0]=4 9615 B14R1.6449 C[C@@H](NCCc1ccncc1)C(=O)N 2230a_100000119354_100000723409 [0,1,0,0,0,1|2,0,0]=4 9616 B14R1.6449 C[C@@H](NCSc1ccccc1)C(=O)N 2230a_100000119354_100011218342 [0,1,0,0,0,1|2,0,0]=4 9617 B14R1.6449 C[C@@H](O)C(=O)CCCc1ccccc1 1458a_100000717761_100000211621 [0,1,0,0,0,1|1,0,1]=4 9618 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,1,0,0,0,1|1,0,0]=3 9619 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,1,0,0,0,1|1,0,0]=3 9620 B14R1.6449 C[C@@H](OCCc1ccccn1)C(=O)N 7a_100000731257_100015183660 [0,1,0,0,0,1|2,0,0]=4 9621 B14R1.6449 C[C@@H](OCCc1cccnc1)C(=O)N 7a_100000731257_200011713674 [0,1,0,0,0,1|2,0,0]=4 9622 B14R1.6449 C[C@@H](OCCc1ccncc1)C(=O)N 7a_100000731257_100000723409 [0,1,0,0,0,1|2,0,0]=4 9623 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,1,0,0,0,1|0,0,0]=2 9624 B14R1.6449 C[C@H](NCCc1ccccn1)C(=O)O 269956a_100000743915_100015183660 [0,1,0,0,0,1|1,0,0]=3 9625 B14R1.6449 C[C@H](NCCc1cccnc1)C(=O)O 269956a_100000743915_200011713674 [0,1,0,0,0,1|1,0,0]=3 9626 B14R1.6449 C[C@H](NCCc1ccncc1)C(=O)O 269956a_100000743915_100000723409 [0,1,0,0,0,1|1,0,0]=3 9627 B14R1.6449 C[C@H](NCSc1ccccc1)C(=O)O 269956a_100000743915_100011218342 [0,1,0,0,0,1|1,0,0]=3 9628 B14R1.6449 C[C@H](O)C(=O)CCCc1ccccc1 1458a_217856618621_100000211621 [0,1,0,0,0,1|1,0,1]=4 9629 B14R1.6449 C[C@H](OCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000765856 [0,1,0,0,0,1|0,0,1]=3 9630 B14R1.6449 C[C@H](OCCc1ccccn1)C(=O)[O-] 7a_217856618621_100015183660 [0,1,0,0,0,1|1,0,1]=4 9631 B14R1.6449 C[C@H](OCCc1cccnc1)C(=O)[O-] 7a_217856618621_200011713674 [0,1,0,0,0,1|1,0,1]=4 9632 B14R1.6449 C[C@H](OCCc1ccncc1)C(=O)[O-] 7a_217856618621_100000723409 [0,1,0,0,0,1|1,0,1]=4 9633 B14R1.6449 NC(=O)C(=O)NCCc1ccccc1 240690a_100000106460_100011215815 [0,1,0,0,0,1|1,0,1]=4 9634 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 2230a_100000106460_100009813875 [0,1,0,0,0,1|1,0,0]=3 9635 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 34a_100000106460_100009813875 [0,1,0,0,0,1|1,0,0]=3 9636 B14R1.6449 NC(=O)C(F)NCCc1cccnc1 2230a_100000736294_100009813875 [0,1,0,0,0,1|2,0,0]=4 9637 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 34a_100000210268_100009813875 [0,1,0,0,0,1|1,0,0]=3 9638 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 7a_100000210268_100009813875 [0,1,0,0,0,1|1,0,0]=3 9639 B14R1.6449 NC(=O)C(F)OCCc1ccccn1 34a_100000210271_100009813875 [0,1,0,0,0,1|2,0,0]=4 9640 B14R1.6449 NC(=O)C(F)OCCc1cccnc1 34a_100011217484_100009813875 [0,1,0,0,0,1|2,0,0]=4 9641 B14R1.6449 NC(=O)C(F)OCCc1ccncc1 34a_100011216225_100009813875 [0,1,0,0,0,1|2,0,0]=4 9642 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100000765856_100009813875 [0,1,0,0,0,1|1,0,0]=3 9643 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100009813875_100011218657 [0,1,0,0,0,1|1,0,0]=3 9644 B14R1.6449 NC(=O)C(F)SCCc1ccccn1 62a_100009813875_100015183660 [0,1,0,0,0,1|2,0,0]=4 9645 B14R1.6449 NC(=O)C(F)SCCc1ccccn1 62a_100015183660_100009813875 [0,1,0,0,0,1|2,0,0]=4 9646 B14R1.6449 NC(=O)C(F)SCCc1cccnc1 62a_100009813875_200011713674 [0,1,0,0,0,1|2,0,0]=4 9647 B14R1.6449 NC(=O)C(F)SCCc1cccnc1 62a_200011713674_100009813875 [0,1,0,0,0,1|2,0,0]=4 9648 B14R1.6449 NC(=O)C(F)SCCc1ccncc1 62a_100000723409_100009813875 [0,1,0,0,0,1|2,0,0]=4 9649 B14R1.6449 NC(=O)C(F)SCCc1ccncc1 62a_100009813875_100000723409 [0,1,0,0,0,1|2,0,0]=4 9650 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100009813875_100011218342 [0,1,0,0,0,1|2,0,0]=4 9651 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100011218342_100009813875 [0,1,0,0,0,1|2,0,0]=4 9652 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccc1 34a_100000729942_100015291786 [0,1,0,0,0,1|1,0,0]=3 9653 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccn1 34a_100000729942_100000721315 [0,1,0,0,0,1|2,0,0]=4 9654 B14R1.6449 NC(=O)[C@@H](N)COCc1cccnc1 34a_100000729942_100000733263 [0,1,0,0,0,1|2,0,0]=4 9655 B14R1.6449 O=C(CCCc1ccccc1)C(O)O 1458a_100000233687_100000211621 [0,1,0,0,0,1|0,0,2]=4 9656 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,1,0,0,0,1|0,0,0]=2 9657 B14R1.6449 O=C(O)C(F)CNCc1ccccn1 269956a_100000084737_100000721315 [0,1,0,0,0,1|1,0,0]=3 9658 B14R1.6449 O=C(O)C(F)CNCc1cccnc1 269956a_100000084737_100000733263 [0,1,0,0,0,1|1,0,0]=3 9659 B14R1.6449 O=C(O)C(F)CNCc1cccnn1 269956a_100000084737_100016990269 [0,1,0,0,0,1|2,0,0]=4 9660 B14R1.6449 O=C(O)C(F)CNCc1ccncc1 269956a_100000084737_100015193705 [0,1,0,0,0,1|1,0,0]=3 9661 B14R1.6449 O=C(O)C(F)CNCc1cnccn1 269956a_100000084737_100016995436 [0,1,0,0,0,1|2,0,0]=4 9662 B14R1.6449 O=C(O)C(F)CNCc1cncnc1 269956a_100000084737_100016991940 [0,1,0,0,0,1|2,0,0]=4 9663 B14R1.6449 O=C(O)C(F)CNCc1ncccn1 269956a_100000084737_100000703007 [0,1,0,0,0,1|2,0,0]=4 9664 B14R1.6449 O=C([O-])C(F)NCCc1ccccc1 34a_100000106460_100020610796 [0,1,0,0,0,1|0,0,1]=3 9665 B14R1.6449 O=C([O-])C(F)OCCc1ccccc1 34a_100000210268_100020610796 [0,1,0,0,0,1|0,0,1]=3 9666 B14R1.6449 O=C([O-])C(F)OCCc1ccccn1 34a_100000210271_100020610796 [0,1,0,0,0,1|1,0,1]=4 9667 B14R1.6449 O=C([O-])C(F)OCCc1cccnc1 34a_100011217484_100020610796 [0,1,0,0,0,1|1,0,1]=4 9668 B14R1.6449 O=C([O-])C(F)OCCc1ccncc1 34a_100011216225_100020610796 [0,1,0,0,0,1|1,0,1]=4 9669 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100000765856_100020610796 [0,1,0,0,0,1|0,0,1]=3 9670 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100020610796_100011218657 [0,1,0,0,0,1|0,0,1]=3 9671 B14R1.6449 O=C([O-])C(F)SCCc1ccccn1 62a_100015183660_100020610796 [0,1,0,0,0,1|1,0,1]=4 9672 B14R1.6449 O=C([O-])C(F)SCCc1ccccn1 62a_100020610796_100015183660 [0,1,0,0,0,1|1,0,1]=4 9673 B14R1.6449 O=C([O-])C(F)SCCc1cccnc1 62a_100020610796_200011713674 [0,1,0,0,0,1|1,0,1]=4 9674 B14R1.6449 O=C([O-])C(F)SCCc1cccnc1 62a_200011713674_100020610796 [0,1,0,0,0,1|1,0,1]=4 9675 B14R1.6449 O=C([O-])C(F)SCCc1ccncc1 62a_100000723409_100020610796 [0,1,0,0,0,1|1,0,1]=4 9676 B14R1.6449 O=C([O-])C(F)SCCc1ccncc1 62a_100020610796_100000723409 [0,1,0,0,0,1|1,0,1]=4 9677 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100011218342_100020610796 [0,1,0,0,0,1|1,0,1]=4 9678 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100020610796_100011218342 [0,1,0,0,0,1|1,0,1]=4 9679 B14R1.329 CC(=O)CCOc1cccccc1=O 7a_100000036025_100000053229 [0,1,0,0,0,1|2,0,0]=4 9680 B14R1.329 NC(=O)CCOc1cccccc1=O 34a_100000036025_100000731001 [0,1,0,0,0,1|2,0,0]=4 9681 B14R1.329 NC(=O)CCOc1cccccc1=O 7a_100000036025_100000744528 [0,1,0,0,0,1|2,0,0]=4 9682 B14R1.149 CC(=O)CCN(C)c1cccc(c1)Br 269982a_100000219648_100000053229 [0,2,0,0,0,0|2,0,0]=4 9683 B14R1.149 CC(=O)CCN(C)c1cccc(c1)C 269982a_100000219674_100000053229 [0,2,0,0,0,0|2,0,0]=4 9684 B14R1.149 CC(=O)CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000053229 [0,2,0,0,0,0|2,0,0]=4 9685 B14R1.149 CC(=O)CCN(C)c1cccc(c1)F 269982a_100020633736_100000053229 [0,2,0,0,0,0|2,0,0]=4 9686 B14R1.149 CC(=O)CCN(C)c1cccc(c1)I 269982a_100000221217_100000053229 [0,2,0,0,0,0|2,0,0]=4 9687 B14R1.149 CC(=O)CCN(C)c1cccc(c1)O 269982a_100000756613_100000053229 [0,2,0,0,0,0|2,0,0]=4 9688 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100015343762 [0,2,0,0,0,0|2,0,0]=4 9689 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100103153847 [0,2,0,0,0,0|2,0,0]=4 9690 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Br 2230a_100020642005_100000747473 [0,2,0,0,0,0|2,0,0]=4 9691 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Cl 2230a_100102723534_100000747473 [0,2,0,0,0,0|2,0,0]=4 9692 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Cl 34a_100102723534_100000187820 [0,2,0,0,0,0|2,0,0]=4 9693 B14R1.149 CC(NCC(=O)N)c1cccc(c1)O 2230a_100000740644_100000747473 [0,2,0,0,0,0|2,0,0]=4 9694 B14R1.149 CC(NCC(=O)[O-])c1cccc(c1)Cl 34a_100102723534_100020667443 [0,2,0,0,0,0|1,0,1]=4 9695 B14R1.149 CC(OCC(=O)N)c1cccc(c1)Br 34a_100000246457_100000187820 [0,2,0,0,0,0|2,0,0]=4 9696 B14R1.149 CC(OCC(=O)N)c1cccc(c1)Br 7a_100000246457_100000187820 [0,2,0,0,0,0|2,0,0]=4 9697 B14R1.149 CC(OCC(=O)N)c1cccc(c1)F 34a_100000744526_100000187820 [0,2,0,0,0,0|2,0,0]=4 9698 B14R1.149 CC(OCC(=O)N)c1cccc(c1)F 7a_100000744526_100000187820 [0,2,0,0,0,0|2,0,0]=4 9699 B14R1.149 CC(OCC(=O)N)c1cccc(c1)I 34a_100013085317_100000187820 [0,2,0,0,0,0|2,0,0]=4 9700 B14R1.149 CC(OCC(=O)N)c1cccc(c1)I 7a_100013085317_100000187820 [0,2,0,0,0,0|2,0,0]=4 9701 B14R1.149 CC(OCC(=O)N)c1cccc(c1)N 34a_100011217120_100000187820 [0,2,0,0,0,0|2,0,0]=4 9702 B14R1.149 CC(OCC(=O)N)c1cccc(c1)N 7a_100011217120_100000187820 [0,2,0,0,0,0|2,0,0]=4 9703 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)Br 34a_100000246457_100020667443 [0,2,0,0,0,0|1,0,1]=4 9704 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)F 34a_100000744526_100020667443 [0,2,0,0,0,0|1,0,1]=4 9705 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)I 34a_100013085317_100020667443 [0,2,0,0,0,0|1,0,1]=4 9706 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)N 34a_100011217120_100020667443 [0,2,0,0,0,0|1,0,1]=4 9707 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000744528 [0,2,0,0,0,0|2,0,0]=4 9708 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000744528 [0,2,0,0,0,0|2,0,0]=4 9709 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 34a_100000219648_100000731001 [0,2,0,0,0,0|2,0,0]=4 9710 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000744528 [0,2,0,0,0,0|2,0,0]=4 9711 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000744528 [0,2,0,0,0,0|2,0,0]=4 9712 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000731001 [0,2,0,0,0,0|2,0,0]=4 9713 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 2230a_100020633736_100000744528 [0,2,0,0,0,0|2,0,0]=4 9714 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 269982a_100020633736_100000744528 [0,2,0,0,0,0|2,0,0]=4 9715 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 34a_100020633736_100000731001 [0,2,0,0,0,0|2,0,0]=4 9716 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 2230a_100000221217_100000744528 [0,2,0,0,0,0|2,0,0]=4 9717 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 269982a_100000221217_100000744528 [0,2,0,0,0,0|2,0,0]=4 9718 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 34a_100000221217_100000731001 [0,2,0,0,0,0|2,0,0]=4 9719 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 2230a_100000756613_100000744528 [0,2,0,0,0,0|2,0,0]=4 9720 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 269982a_100000756613_100000744528 [0,2,0,0,0,0|2,0,0]=4 9721 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 34a_100000756613_100000731001 [0,2,0,0,0,0|2,0,0]=4 9722 B14R1.149 CN(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_200000210301 [0,2,0,0,0,0|1,0,0]=3 9723 B14R1.149 C[C@@H](NCC(=O)N)c1cccc(c1)F 2230a_100015193778_100000747473 [0,2,0,0,0,0|2,0,0]=4 9724 B14R1.149 C[C@@H](NCC(=O)N)c1cccc(c1)F 34a_100015193778_100000187820 [0,2,0,0,0,0|2,0,0]=4 9725 B14R1.149 C[C@@H](NCC(=O)[O-])c1cccc(c1)F 34a_100015193778_100020667443 [0,2,0,0,0,0|1,0,1]=4 9726 B14R1.149 C[C@@H](OCC(=O)N)c1cccc(c1)Cl 34a_100000747380_100000187820 [0,2,0,0,0,0|2,0,0]=4 9727 B14R1.149 C[C@@H](OCC(=O)N)c1cccc(c1)Cl 7a_100000747380_100000187820 [0,2,0,0,0,0|2,0,0]=4 9728 B14R1.149 C[C@@H](OCC(=O)[O-])c1cccc(c1)Cl 34a_100000747380_100020667443 [0,2,0,0,0,0|1,0,1]=4 9729 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)N 34a_100000757818_100000187820 [0,2,0,0,0,0|2,0,0]=4 9730 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)N 7a_100000757818_100000187820 [0,2,0,0,0,0|2,0,0]=4 9731 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)[O-] 34a_100000757818_100020667443 [0,2,0,0,0,0|1,0,1]=4 9732 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 2230a_100000219674_100000744528 [0,2,0,0,0,0|2,0,0]=4 9733 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 269982a_100000219674_100000744528 [0,2,0,0,0,0|2,0,0]=4 9734 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 34a_100000219674_100000731001 [0,2,0,0,0,0|2,0,0]=4 9735 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)N 2230a_100000698126_100000747473 [0,2,0,0,0,0|2,0,0]=4 9736 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)N 34a_100000698126_100000187820 [0,2,0,0,0,0|2,0,0]=4 9737 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)[O-] 34a_100000698126_100020667443 [0,2,0,0,0,0|1,0,1]=4 9738 B14R1.149 [13CH3]N(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_200025704644 [0,2,0,0,0,0|1,0,0]=3 9739 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [0,2,0,0,0,0|1,0,1]=4 9740 B14R1.160 CC(=O)CCN(C)c1ccccc1Br 269982a_100020606079_100000053229 [0,2,0,0,0,0|2,0,0]=4 9741 B14R1.160 CC(=O)CCN(C)c1ccccc1C 269982a_100000219699_100000053229 [0,2,0,0,0,0|2,0,0]=4 9742 B14R1.160 CC(=O)CCN(C)c1ccccc1Cl 269982a_100000219374_100000053229 [0,2,0,0,0,0|2,0,0]=4 9743 B14R1.160 CC(=O)CCN(C)c1ccccc1F 269982a_100000220357_100000053229 [0,2,0,0,0,0|2,0,0]=4 9744 B14R1.160 CC(=O)CCN(C)c1ccccc1O 269982a_100000033821_100000053229 [0,2,0,0,0,0|2,0,0]=4 9745 B14R1.160 CC(=O)COC(C)c1ccccc1F 34a_100000211253_200000741388 [0,2,0,0,0,0|2,0,0]=4 9746 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100015343762 [0,2,0,0,0,0|2,0,0]=4 9747 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 527a_100011236429_100103153847 [0,2,0,0,0,0|2,0,0]=4 9748 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100015343762 [0,2,0,0,0,0|2,0,0]=4 9749 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100103153847 [0,2,0,0,0,0|2,0,0]=4 9750 B14R1.160 CC(NCC(=O)N)c1ccccc1Br 2230a_100000181357_100000747473 [0,2,0,0,0,0|2,0,0]=4 9751 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 2230a_100000174978_100000747473 [0,2,0,0,0,0|2,0,0]=4 9752 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 2230a_100000711301_100000181259 [0,2,0,0,0,0|2,0,0]=4 9753 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 34a_100000174978_100000187820 [0,2,0,0,0,0|2,0,0]=4 9754 B14R1.160 CC(NCC(=O)N)c1ccccc1F 2230a_100000181408_100000747473 [0,2,0,0,0,0|2,0,0]=4 9755 B14R1.160 CC(NCC(=O)N)c1ccccc1F 2230a_100000711301_200000741388 [0,2,0,0,0,0|2,0,0]=4 9756 B14R1.160 CC(NCC(=O)N)c1ccccc1F 34a_100000181408_100000187820 [0,2,0,0,0,0|2,0,0]=4 9757 B14R1.160 CC(NCC(=O)O)c1ccccc1Cl 269956a_100016091260_100000181259 [0,2,0,0,0,0|1,0,0]=3 9758 B14R1.160 CC(NCC(=O)O)c1ccccc1F 269956a_100016091260_200000741388 [0,2,0,0,0,0|1,0,0]=3 9759 B14R1.160 CC(NCC(=O)[O-])c1ccccc1Cl 34a_100000174978_100020667443 [0,2,0,0,0,0|1,0,1]=4 9760 B14R1.160 CC(NCC(=O)[O-])c1ccccc1F 34a_100000181408_100020667443 [0,2,0,0,0,0|1,0,1]=4 9761 B14R1.160 CC(OCC(=O)N)c1ccccc1Br 34a_100000702211_100000187820 [0,2,0,0,0,0|2,0,0]=4 9762 B14R1.160 CC(OCC(=O)N)c1ccccc1Br 7a_100000702211_100000187820 [0,2,0,0,0,0|2,0,0]=4 9763 B14R1.160 CC(OCC(=O)N)c1ccccc1Cl 34a_100000740796_100000187820 [0,2,0,0,0,0|2,0,0]=4 9764 B14R1.160 CC(OCC(=O)N)c1ccccc1Cl 7a_100000740796_100000187820 [0,2,0,0,0,0|2,0,0]=4 9765 B14R1.160 CC(OCC(=O)N)c1ccccc1F 34a_100000697922_100000187820 [0,2,0,0,0,0|2,0,0]=4 9766 B14R1.160 CC(OCC(=O)N)c1ccccc1F 7a_100000697922_100000187820 [0,2,0,0,0,0|2,0,0]=4 9767 B14R1.160 CC(OCC(=O)N)c1ccccc1N 7a_100011405641_100000187820 [0,2,0,0,0,0|2,0,0]=4 9768 B14R1.160 CC(OCC(=O)[O-])c1ccccc1Br 34a_100000702211_100020667443 [0,2,0,0,0,0|1,0,1]=4 9769 B14R1.160 CC(OCC(=O)[O-])c1ccccc1Cl 34a_100000740796_100020667443 [0,2,0,0,0,0|1,0,1]=4 9770 B14R1.160 CC(OCC(=O)[O-])c1ccccc1F 34a_100000697922_100020667443 [0,2,0,0,0,0|1,0,1]=4 9771 B14R1.160 CC(SCC(=O)N)c1ccccc1Cl 62a_100000181259_100000747473 [0,2,0,0,0,0|2,0,0]=4 9772 B14R1.160 CC(SCC(=O)N)c1ccccc1Cl 62a_100000747473_100000181259 [0,2,0,0,0,0|2,0,0]=4 9773 B14R1.160 CC(SCC(=O)N)c1ccccc1F 62a_100000747473_200000741388 [0,2,0,0,0,0|2,0,0]=4 9774 B14R1.160 CC(SCC(=O)N)c1ccccc1F 62a_200000741388_100000747473 [0,2,0,0,0,0|2,0,0]=4 9775 B14R1.160 CC(SCC(=O)[O-])c1ccccc1Cl 62a_100000181259_100020667443 [0,2,0,0,0,0|1,0,1]=4 9776 B14R1.160 CC(SCC(=O)[O-])c1ccccc1Cl 62a_100020667443_100000181259 [0,2,0,0,0,0|1,0,1]=4 9777 B14R1.160 CC(SCC(=O)[O-])c1ccccc1F 62a_100020667443_200000741388 [0,2,0,0,0,0|1,0,1]=4 9778 B14R1.160 CC(SCC(=O)[O-])c1ccccc1F 62a_200000741388_100020667443 [0,2,0,0,0,0|1,0,1]=4 9779 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 2230a_100020606079_100000744528 [0,2,0,0,0,0|2,0,0]=4 9780 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 269982a_100020606079_100000744528 [0,2,0,0,0,0|2,0,0]=4 9781 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 34a_100020606079_100000731001 [0,2,0,0,0,0|2,0,0]=4 9782 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 2230a_100000219374_100000744528 [0,2,0,0,0,0|2,0,0]=4 9783 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 269982a_100000219374_100000744528 [0,2,0,0,0,0|2,0,0]=4 9784 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 269982a_100000231022_200000210301 [0,2,0,0,0,0|2,0,0]=4 9785 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 34a_100000219374_100000731001 [0,2,0,0,0,0|2,0,0]=4 9786 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 34a_100000231022_200000210301 [0,2,0,0,0,0|2,0,0]=4 9787 B14R1.160 CN(CCC(=O)N)c1ccccc1F 2230a_100000220357_100000744528 [0,2,0,0,0,0|2,0,0]=4 9788 B14R1.160 CN(CCC(=O)N)c1ccccc1F 269982a_100000220357_100000744528 [0,2,0,0,0,0|2,0,0]=4 9789 B14R1.160 CN(CCC(=O)N)c1ccccc1F 34a_100000220357_100000731001 [0,2,0,0,0,0|2,0,0]=4 9790 B14R1.160 CN(CCC(=O)N)c1ccccc1O 269982a_100000033821_100000744528 [0,2,0,0,0,0|2,0,0]=4 9791 B14R1.160 C[C@@H](NCC(=O)N)c1ccccc1O 2230a_100025703389_100000747473 [0,2,0,0,0,0|2,0,0]=4 9792 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 2230a_100000181355_100000747473 [0,2,0,0,0,0|2,0,0]=4 9793 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 34a_100000181355_100000187820 [0,2,0,0,0,0|2,0,0]=4 9794 B14R1.160 Cc1ccccc1C(C)NCC(=O)[O-] 34a_100000181355_100020667443 [0,2,0,0,0,0|1,0,1]=4 9795 B14R1.160 Cc1ccccc1C(C)OCC(=O)N 34a_100000742021_100000187820 [0,2,0,0,0,0|2,0,0]=4 9796 B14R1.160 Cc1ccccc1C(C)OCC(=O)N 7a_100000742021_100000187820 [0,2,0,0,0,0|2,0,0]=4 9797 B14R1.160 Cc1ccccc1C(C)OCC(=O)[O-] 34a_100000742021_100020667443 [0,2,0,0,0,0|1,0,1]=4 9798 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 2230a_100000219699_100000744528 [0,2,0,0,0,0|2,0,0]=4 9799 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 269982a_100000219699_100000744528 [0,2,0,0,0,0|2,0,0]=4 9800 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 34a_100000219699_100000731001 [0,2,0,0,0,0|2,0,0]=4 9801 B14R1.160 [13CH3]N(CCC(=O)N)c1ccccc1Cl 269982a_100000231022_200025704644 [0,2,0,0,0,0|2,0,0]=4 9802 B14R1.160 [13CH3]N(CCC(=O)N)c1ccccc1Cl 34a_100000231022_200025704644 [0,2,0,0,0,0|2,0,0]=4 9803 B14R1.163 C#CC(=O)CCC(=O)c1ccccc1 1458a_100000211873_100000750707 [0,2,0,0,0,0|1,0,1]=4 9804 B14R1.163 C#CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211873_100000729684 [0,2,0,0,0,0|1,0,0]=3 9805 B14R1.163 C=CC(=O)CCC(=O)c1ccccc1 1458a_100000185746_100000750707 [0,2,0,0,0,0|1,0,1]=4 9806 B14R1.163 C=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000185746_100000729684 [0,2,0,0,0,0|1,0,0]=3 9807 B14R1.163 C=CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000185746 [0,2,0,0,0,0|2,0,0]=4 9808 B14R1.163 C=CC(=O)NCC(C)c1ccccc1 240690a_100000701038_200121576911 [0,2,0,0,0,0|2,0,0]=4 9809 B14R1.163 C=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_200121576911 [0,2,0,0,0,0|2,0,0]=4 9810 B14R1.163 CC(CNC(=O)CO)c1ccccc1 240690a_100000701038_100000210174 [0,2,0,0,0,0|1,0,0]=3 9811 B14R1.163 CC(CNC(=O)CO)c1ccccc1 527a_100000701038_100000210174 [0,2,0,0,0,0|1,0,0]=3 9812 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,2,0,0,0,0|1,0,1]=4 9813 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,2,0,0,0,0|1,0,0]=3 9814 B14R1.163 CCC(=O)COC(C)c1ccccc1 34a_100000725409_100000211855 [0,2,0,0,0,0|2,0,0]=4 9815 B14R1.163 CCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747405 [0,2,0,0,0,0|2,0,0]=4 9816 B14R1.163 CCC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747405 [0,2,0,0,0,0|2,0,0]=4 9817 B14R1.163 CCC(=O)CSC(C)c1ccccc1 62a_100000747405_100000230085 [0,2,0,0,0,0|2,0,0]=4 9818 B14R1.163 CCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000210414 [0,2,0,0,0,0|2,0,0]=4 9819 B14R1.163 CCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000210414 [0,2,0,0,0,0|2,0,0]=4 9820 B14R1.163 CCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000210414 [0,2,0,0,0,0|2,0,0]=4 9821 B14R1.163 CCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000210414 [0,2,0,0,0,0|2,0,0]=4 9822 B14R1.163 CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210414 [0,2,0,0,0,0|2,0,0]=4 9823 B14R1.163 CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210414 [0,2,0,0,0,0|2,0,0]=4 9824 B14R1.163 CNC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000737683 [0,2,0,0,0,0|2,0,0]=4 9825 B14R1.163 CNC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000737683 [0,2,0,0,0,0|2,0,0]=4 9826 B14R1.163 CNC(=O)CCN(C)c1ccccc1 34a_100000210012_100012179268 [0,2,0,0,0,0|2,0,0]=4 9827 B14R1.163 CNC(=O)CNC(C)c1ccccc1 2230a_100000693194_100000230085 [0,2,0,0,0,0|2,0,0]=4 9828 B14R1.163 CNC(=O)CNC(C)c1ccccc1 269862a_100000693194_100000185851 [0,2,0,0,0,0|2,0,0]=4 9829 B14R1.163 CNC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000183359 [0,2,0,0,0,0|2,0,0]=4 9830 B14R1.163 CNC(=O)COC(C)c1ccccc1 34a_100000750040_100000211855 [0,2,0,0,0,0|2,0,0]=4 9831 B14R1.163 CNC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000183359 [0,2,0,0,0,0|2,0,0]=4 9832 B14R1.163 CNC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000183359 [0,2,0,0,0,0|2,0,0]=4 9833 B14R1.163 CNC(=O)CSC(C)c1ccccc1 62a_100000183359_100000230085 [0,2,0,0,0,0|2,0,0]=4 9834 B14R1.163 CNC(=O)CSC(C)c1ccccc1 62a_100000230085_100000183359 [0,2,0,0,0,0|2,0,0]=4 9835 B14R1.163 CNC(=O)NCC(C)c1ccccc1 2708a_100000701038_106832991635 [0,2,0,0,0,0|2,0,0]=4 9836 B14R1.163 CNC(=O)NCC(C)c1ccccc1 2708a_100102657272_100000701038 [0,2,0,0,0,0|2,0,0]=4 9837 B14R1.163 CNC(=O)NCC(C)c1ccccc1 273464a_100000701038_100102657272 [0,2,0,0,0,0|2,0,0]=4 9838 B14R1.163 CNC(=O)NCC(C)c1ccccc1 273464a_100102657272_100000701038 [0,2,0,0,0,0|2,0,0]=4 9839 B14R1.163 CNC(=O)NCC(C)c1ccccc1 512a_106832991638_100000701038 [0,2,0,0,0,0|2,0,0]=4 9840 B14R1.163 CNC(=O)NCC(O)c1ccccc1 2708a_100102657272_100000210709 [0,2,0,0,0,0|2,0,0]=4 9841 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100102657272 [0,2,0,0,0,0|2,0,0]=4 9842 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100102657272_100000210709 [0,2,0,0,0,0|2,0,0]=4 9843 B14R1.163 CNC(=O)NCC(O)c1ccccc1 512a_106832991638_100000210709 [0,2,0,0,0,0|2,0,0]=4 9844 B14R1.163 COC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000204255 [0,2,0,0,0,0|1,0,0]=3 9845 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000204255 [0,2,0,0,0,0|1,0,0]=3 9846 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100011203847_200000210301 [0,2,0,0,0,0|1,0,0]=3 9847 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100000210012_100000742370 [0,2,0,0,0,0|1,0,0]=3 9848 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100011203847_200000210301 [0,2,0,0,0,0|1,0,0]=3 9849 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 269982a_100011203847_200025704644 [0,2,0,0,0,0|1,0,0]=3 9850 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 34a_100011203847_200025704644 [0,2,0,0,0,0|1,0,0]=3 9851 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,2,0,0,0,0|1,0,1]=4 9852 B14R1.163 COC(=O)CNC(C)c1ccccn1 2230a_100000181244_100000747449 [0,2,0,0,0,0|2,0,0]=4 9853 B14R1.163 COC(=O)CNC(C)c1cccnc1 2230a_100000195435_100000747449 [0,2,0,0,0,0|2,0,0]=4 9854 B14R1.163 COC(=O)CNC(C)c1ccncc1 2230a_100000181269_100000747449 [0,2,0,0,0,0|2,0,0]=4 9855 B14R1.163 COC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747449 [0,2,0,0,0,0|1,0,0]=3 9856 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000747449 [0,2,0,0,0,0|1,0,0]=3 9857 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747449 [0,2,0,0,0,0|1,0,0]=3 9858 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747449 [0,2,0,0,0,0|1,0,0]=3 9859 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000747449_100000230085 [0,2,0,0,0,0|1,0,0]=3 9860 B14R1.163 O=C(CO)CCC(=O)c1ccccc1 1458a_100000210174_100000750707 [0,2,0,0,0,0|0,0,1]=3 9861 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [0,2,0,0,0,0|0,0,0]=2 9862 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,2,0,0,0,0|1,0,1]=4 9863 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [0,2,0,0,0,0|1,0,0]=3 9864 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [0,2,0,0,0,0|1,0,0]=3 9865 B14R1.163 O=C(CO)NCC(O)c1ccccn1 240690a_100000691469_100000210174 [0,2,0,0,0,0|2,0,0]=4 9866 B14R1.163 O=C(CO)NCC(O)c1ccccn1 527a_100000691469_100000210174 [0,2,0,0,0,0|2,0,0]=4 9867 B14R1.163 O=C(CO)NCC(O)c1cccnc1 240690a_100020605170_100000210174 [0,2,0,0,0,0|2,0,0]=4 9868 B14R1.163 O=C(CO)NCC(O)c1cccnc1 527a_100020605170_100000210174 [0,2,0,0,0,0|2,0,0]=4 9869 B14R1.415 CC(=O)C(C)N[C@H](C)c1ccccc1 2230a_100000751104_100009814033 [0,2,0,0,0,0|2,0,0]=4 9870 B14R1.415 CC(=O)C(C)OC(C)c1ccccc1 34a_100000212229_100000211855 [0,2,0,0,0,0|2,0,0]=4 9871 B14R1.415 CC(=O)C(C)O[C@H](C)c1ccccc1 7a_100000761318_100000179758 [0,2,0,0,0,0|2,0,0]=4 9872 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100009814033 [0,2,0,0,0,0|2,0,0]=4 9873 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100009814033_100000230085 [0,2,0,0,0,0|2,0,0]=4 9874 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_100015343762 [0,2,0,0,0,0|2,0,0]=4 9875 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 527a_100000227976_100103153847 [0,2,0,0,0,0|2,0,0]=4 9876 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,2,0,0,0,0|1,0,0]=3 9877 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000230085 [0,2,0,0,0,0|2,0,0]=4 9878 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000211855 [0,2,0,0,0,0|2,0,0]=4 9879 B14R1.415 CC(N[C@H](C)c1ccccc1)C(=O)N 2230a_100000751104_100000702099 [0,2,0,0,0,0|2,0,0]=4 9880 B14R1.415 CC(O[C@@H](C)C(=O)[O-])c1ccccc1 7a_217856618621_100000230085 [0,2,0,0,0,0|1,0,1]=4 9881 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000211855 [0,2,0,0,0,0|2,0,0]=4 9882 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000230085 [0,2,0,0,0,0|2,0,0]=4 9883 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 34a_100000761318_100000702099 [0,2,0,0,0,0|2,0,0]=4 9884 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 7a_100000761318_100000702099 [0,2,0,0,0,0|2,0,0]=4 9885 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,2,0,0,0,0|2,0,0]=4 9886 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,2,0,0,0,0|2,0,0]=4 9887 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100000230085_100009813875 [0,2,0,0,0,0|2,0,0]=4 9888 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100009813875_100000230085 [0,2,0,0,0,0|2,0,0]=4 9889 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100000230085_100020610796 [0,2,0,0,0,0|1,0,1]=4 9890 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100020610796_100000230085 [0,2,0,0,0,0|1,0,1]=4 9891 B14R1.415 C[C@@H](NC(F)C(=O)N)c1ccccc1 2230a_100000751104_100009813875 [0,2,0,0,0,0|2,0,0]=4 9892 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 34a_100000761318_100009813875 [0,2,0,0,0,0|2,0,0]=4 9893 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 7a_100000761318_100009813875 [0,2,0,0,0,0|2,0,0]=4 9894 B14R1.415 C[C@@H](OC(F)C(=O)[O-])c1ccccc1 34a_100000761318_100020610796 [0,2,0,0,0,0|1,0,1]=4 9895 B14R1.417 CC(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000230085 [0,2,0,0,0,0|1,0,1]=4 9896 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000195388_100000747473 [0,2,0,0,0,0|2,0,0]=4 9897 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000739694_100000230085 [0,2,0,0,0,0|2,0,0]=4 9898 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 269982a_100000195388_100000187820 [0,2,0,0,0,0|2,0,0]=4 9899 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,2,0,0,0,0|1,0,0]=3 9900 B14R1.417 CC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000195388_100020667443 [0,2,0,0,0,0|1,0,1]=4 9901 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,2,0,0,0,0|1,0,0]=3 9902 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,2,0,0,0,0|1,0,0]=3 9903 B14R1.417 C[C@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000751047_100000187820 [0,2,0,0,0,0|1,0,1]=4 9904 B14R1.417 C[C@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000751047_100020667443 [0,2,0,0,0,0|0,0,2]=4 9905 B14R1.417 NC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000187820 [0,2,0,0,0,0|1,0,1]=4 9906 B14R1.417 NC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000187820 [0,2,0,0,0,0|1,0,1]=4 9907 B14R1.417 O=C([O-])CC(=O)C(F)c1ccccc1 1458a_100000698975_100020667443 [0,2,0,0,0,0|0,0,2]=4 9908 B14R1.417 O=C([O-])CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100020667443 [0,2,0,0,0,0|0,0,2]=4 9909 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 34a_100011219616_100000187820 [0,2,0,0,0,0|2,0,0]=4 9910 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 7a_100011219616_100000187820 [0,2,0,0,0,0|2,0,0]=4 9911 B14R1.540 C#CC(OCC(=O)[O-])c1ccccc1 34a_100011219616_100020667443 [0,2,0,0,0,0|1,0,1]=4 9912 B14R1.540 C=CC(NCC(=O)N)c1ccccc1 2230a_100000711301_200000085779 [0,2,0,0,0,0|2,0,0]=4 9913 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [0,2,0,0,0,0|1,0,0]=3 9914 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 34a_100011215659_100000187820 [0,2,0,0,0,0|2,0,0]=4 9915 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 7a_100011215659_100000187820 [0,2,0,0,0,0|2,0,0]=4 9916 B14R1.540 C=CC(OCC(=O)[O-])c1ccccc1 34a_100011215659_100020667443 [0,2,0,0,0,0|1,0,1]=4 9917 B14R1.540 C=CC(SCC(=O)N)c1ccccc1 62a_100000747473_200000085779 [0,2,0,0,0,0|2,0,0]=4 9918 B14R1.540 C=CC(SCC(=O)N)c1ccccc1 62a_200000085779_100000747473 [0,2,0,0,0,0|2,0,0]=4 9919 B14R1.540 C=CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_200000085779 [0,2,0,0,0,0|1,0,1]=4 9920 B14R1.540 C=CC(SCC(=O)[O-])c1ccccc1 62a_200000085779_100020667443 [0,2,0,0,0,0|1,0,1]=4 9921 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [0,2,0,0,0,0|2,0,0]=4 9922 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [0,2,0,0,0,0|2,0,0]=4 9923 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [0,2,0,0,0,0|2,0,0]=4 9924 B14R1.540 CCC(OCC(=O)[O-])c1ccccc1 34a_100000698172_100020667443 [0,2,0,0,0,0|1,0,1]=4 9925 B14R1.540 CCN(CCC(=O)C)c1ccccc1 269982a_100000210013_100000053229 [0,2,0,0,0,0|2,0,0]=4 9926 B14R1.540 CCN(CCC(=O)N)c1ccccc1 2230a_100000210013_100000744528 [0,2,0,0,0,0|2,0,0]=4 9927 B14R1.540 CCN(CCC(=O)N)c1ccccc1 269982a_100000210013_100000744528 [0,2,0,0,0,0|2,0,0]=4 9928 B14R1.540 CCN(CCC(=O)N)c1ccccc1 34a_100000210013_100000731001 [0,2,0,0,0,0|2,0,0]=4 9929 B14R1.540 CNC(CCC(C)O)c1ccccc1 269862a_106832991636_200012571355 [0,2,0,0,0,0|1,0,1]=4 9930 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,2,0,0,0,0|0,0,0]=2 9931 B14R1.540 N#CC(OCC(=O)N)c1ccccc1 7a_100011217353_100000187820 [0,2,0,0,0,0|2,0,0]=4 9932 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747473 [0,2,0,0,0,0|2,0,0]=4 9933 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000187820 [0,2,0,0,0,0|2,0,0]=4 9934 B14R1.540 NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000187820 [0,2,0,0,0,0|2,0,0]=4 9935 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000187820 [0,2,0,0,0,0|2,0,0]=4 9936 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000187820 [0,2,0,0,0,0|2,0,0]=4 9937 B14R1.540 NCC(OCC(=O)N)c1ccccc1 34a_100000210709_100000187820 [0,2,0,0,0,0|2,0,0]=4 9938 B14R1.540 NCC(OCC(=O)[O-])c1ccccc1 34a_100000210709_100020667443 [0,2,0,0,0,0|1,0,1]=4 9939 B14R1.540 O=C([O-])CN[C@H](CO)c1ccccc1 34a_100000751927_100020667443 [0,2,0,0,0,0|1,0,1]=4 9940 B14R1.540 O=C([O-])CO[C@H](CCl)c1ccccc1 34a_100011933945_100020667443 [0,2,0,0,0,0|1,0,1]=4 9941 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,2,0,0,0,0|0,0,0]=2 9942 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000070787_100000701375 [0,2,0,0,0,0|1,0,1]=4 9943 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000070787_100000211231 [0,2,0,0,0,0|1,0,1]=4 9944 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000053229 [0,2,0,0,0,0|2,0,0]=4 9945 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)C 269982a_100000219977_100000053229 [0,2,0,0,0,0|2,0,0]=4 9946 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000053229 [0,2,0,0,0,0|2,0,0]=4 9947 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)F 269982a_100000219829_100000053229 [0,2,0,0,0,0|2,0,0]=4 9948 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)I 269982a_100000743151_100000053229 [0,2,0,0,0,0|2,0,0]=4 9949 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)O 269982a_100000182112_100000053229 [0,2,0,0,0,0|2,0,0]=4 9950 B14R1.678 CC(=O)COC(C)c1ccc(cc1)Br 34a_100000211253_100000755118 [0,2,0,0,0,0|2,0,0]=4 9951 B14R1.678 CC(=O)COC(C)c1ccc(cc1)C 34a_100000211253_100011261388 [0,2,0,0,0,0|2,0,0]=4 9952 B14R1.678 CC(=O)COC(C)c1ccc(cc1)F 34a_100000211253_100000743420 [0,2,0,0,0,0|2,0,0]=4 9953 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [0,2,0,0,0,0|2,0,0]=4 9954 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [0,2,0,0,0,0|2,0,0]=4 9955 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100015343762 [0,2,0,0,0,0|2,0,0]=4 9956 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100103153847 [0,2,0,0,0,0|2,0,0]=4 9957 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100015343762 [0,2,0,0,0,0|2,0,0]=4 9958 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100103153847 [0,2,0,0,0,0|2,0,0]=4 9959 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100015343762 [0,2,0,0,0,0|2,0,0]=4 9960 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100015343762 [0,2,0,0,0,0|2,0,0]=4 9961 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100103153847 [0,2,0,0,0,0|2,0,0]=4 9962 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100015343762 [0,2,0,0,0,0|2,0,0]=4 9963 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Br 2230a_100000711301_100000755118 [0,2,0,0,0,0|2,0,0]=4 9964 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Cl 2230a_100000711301_100000684792 [0,2,0,0,0,0|2,0,0]=4 9965 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)F 2230a_100000711301_100000743420 [0,2,0,0,0,0|2,0,0]=4 9966 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Br 269956a_100016091260_100000755118 [0,2,0,0,0,0|1,0,0]=3 9967 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Cl 269956a_100016091260_100000684792 [0,2,0,0,0,0|1,0,0]=3 9968 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)F 269956a_100016091260_100000743420 [0,2,0,0,0,0|1,0,0]=3 9969 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 34a_100000745893_100000187820 [0,2,0,0,0,0|2,0,0]=4 9970 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 7a_100000745893_100000187820 [0,2,0,0,0,0|2,0,0]=4 9971 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 34a_100000181323_100000187820 [0,2,0,0,0,0|2,0,0]=4 9972 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 7a_100000181323_100000187820 [0,2,0,0,0,0|2,0,0]=4 9973 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)N 34a_100011216399_100000187820 [0,2,0,0,0,0|2,0,0]=4 9974 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100000745893_100020667443 [0,2,0,0,0,0|1,0,1]=4 9975 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)F 34a_100000181323_100020667443 [0,2,0,0,0,0|1,0,1]=4 9976 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)N 34a_100011216399_100020667443 [0,2,0,0,0,0|1,0,1]=4 9977 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000747473_100000755118 [0,2,0,0,0,0|2,0,0]=4 9978 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000755118_100000747473 [0,2,0,0,0,0|2,0,0]=4 9979 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000684792_100000747473 [0,2,0,0,0,0|2,0,0]=4 9980 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000747473_100000684792 [0,2,0,0,0,0|2,0,0]=4 9981 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000743420_100000747473 [0,2,0,0,0,0|2,0,0]=4 9982 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000747473_100000743420 [0,2,0,0,0,0|2,0,0]=4 9983 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Br 62a_100000755118_100020667443 [0,2,0,0,0,0|1,0,1]=4 9984 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Br 62a_100020667443_100000755118 [0,2,0,0,0,0|1,0,1]=4 9985 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Cl 62a_100000684792_100020667443 [0,2,0,0,0,0|1,0,1]=4 9986 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Cl 62a_100020667443_100000684792 [0,2,0,0,0,0|1,0,1]=4 9987 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)F 62a_100000743420_100020667443 [0,2,0,0,0,0|1,0,1]=4 9988 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)F 62a_100020667443_100000743420 [0,2,0,0,0,0|1,0,1]=4 9989 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000744528 [0,2,0,0,0,0|2,0,0]=4 9990 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000744528 [0,2,0,0,0,0|2,0,0]=4 9991 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000731001 [0,2,0,0,0,0|2,0,0]=4 9992 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000744528 [0,2,0,0,0,0|2,0,0]=4 9993 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000744528 [0,2,0,0,0,0|2,0,0]=4 9994 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000731001 [0,2,0,0,0,0|2,0,0]=4 9995 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000744528 [0,2,0,0,0,0|2,0,0]=4 9996 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 2230a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 9997 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000744528 [0,2,0,0,0,0|2,0,0]=4 9998 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 269982a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 9999 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 34a_100000219829_100000731001 [0,2,0,0,0,0|2,0,0]=4 10000 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 34a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 10001 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 7a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 10002 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000744528 [0,2,0,0,0,0|2,0,0]=4 10003 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000744528 [0,2,0,0,0,0|2,0,0]=4 10004 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 34a_100000743151_100000731001 [0,2,0,0,0,0|2,0,0]=4 10005 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000744528 [0,2,0,0,0,0|2,0,0]=4 10006 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)O 34a_100000182112_100000731001 [0,2,0,0,0,0|2,0,0]=4 10007 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100000720352_100000747473 [0,2,0,0,0,0|2,0,0]=4 10008 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015205461_100000747473 [0,2,0,0,0,0|2,0,0]=4 10009 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015205461_100000187820 [0,2,0,0,0,0|2,0,0]=4 10010 B14R1.678 C[C@@H](NCC(=O)[O-])c1ccc(cc1)Cl 34a_100015205461_100020667443 [0,2,0,0,0,0|1,0,1]=4 10011 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 2230a_100025705893_100000747473 [0,2,0,0,0,0|2,0,0]=4 10012 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 34a_100025705893_100000187820 [0,2,0,0,0,0|2,0,0]=4 10013 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)I 2230a_100000753911_100000747473 [0,2,0,0,0,0|2,0,0]=4 10014 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)O 2230a_100161106496_100000747473 [0,2,0,0,0,0|2,0,0]=4 10015 B14R1.678 C[C@H](NCC(=O)[O-])c1ccc(cc1)F 34a_100025705893_100020667443 [0,2,0,0,0,0|1,0,1]=4 10016 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 34a_100011852131_100000187820 [0,2,0,0,0,0|2,0,0]=4 10017 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 7a_100011852131_100000187820 [0,2,0,0,0,0|2,0,0]=4 10018 B14R1.678 C[C@H](OCC(=O)[O-])c1ccc(cc1)Cl 34a_100011852131_100020667443 [0,2,0,0,0,0|1,0,1]=4 10019 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)N 2230a_100000711301_100011261388 [0,2,0,0,0,0|2,0,0]=4 10020 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)O 269956a_100016091260_100011261388 [0,2,0,0,0,0|1,0,0]=3 10021 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100000747473_100011261388 [0,2,0,0,0,0|2,0,0]=4 10022 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100011261388_100000747473 [0,2,0,0,0,0|2,0,0]=4 10023 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)[O-] 62a_100011261388_100020667443 [0,2,0,0,0,0|1,0,1]=4 10024 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)[O-] 62a_100020667443_100011261388 [0,2,0,0,0,0|1,0,1]=4 10025 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 2230a_100000219977_100000744528 [0,2,0,0,0,0|2,0,0]=4 10026 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 269982a_100000219977_100000744528 [0,2,0,0,0,0|2,0,0]=4 10027 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 34a_100000219977_100000731001 [0,2,0,0,0,0|2,0,0]=4 10028 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)[O-] 269956a_100025773522_200000210301 [0,2,0,0,0,0|1,0,1]=4 10029 B14R1.678 Cc1ccc(cc1)N([13CH3])CCC(=O)[O-] 269956a_100025773522_200025704644 [0,2,0,0,0,0|1,0,1]=4 10030 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 2230a_100016988085_100000747473 [0,2,0,0,0,0|2,0,0]=4 10031 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 34a_100016988085_100000187820 [0,2,0,0,0,0|2,0,0]=4 10032 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)[O-] 34a_100016988085_100020667443 [0,2,0,0,0,0|1,0,1]=4 10033 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 34a_100000690690_100000187820 [0,2,0,0,0,0|2,0,0]=4 10034 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 7a_100000690690_100000187820 [0,2,0,0,0,0|2,0,0]=4 10035 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)[O-] 34a_100000690690_100020667443 [0,2,0,0,0,0|1,0,1]=4 10036 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 2230a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 10037 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 269982a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 10038 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 34a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 10039 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 7a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 10040 B14R1.678 [2H]C(OCC(=O)N)c1ccc(cc1)F 34a_217856618577_100000187820 [0,2,0,0,0,0|2,0,0]=4 10041 B14R1.678 [2H]C(OCC(=O)N)c1ccc(cc1)F 7a_217856618577_100000187820 [0,2,0,0,0,0|2,0,0]=4 10042 B14R1.678 [2H]C(OCC(=O)[O-])c1ccc(cc1)F 34a_217856618577_100020667443 [0,2,0,0,0,0|1,0,1]=4 10043 B14R1.813 CC(=O)CCS(=O)(=O)c1ccccc1 1458a_100000070787_100000229977 [0,2,0,0,0,0|2,0,0]=4 10044 B14R1.813 CC(=O)CCS(=O)(=O)c1ccccc1 1458a_100000183054_200000210301 [0,2,0,0,0,0|2,0,0]=4 10045 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 11a_100011211644_100015343762 [0,2,0,0,0,0|2,0,0]=4 10046 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 1626a_100011211644_100015343762 [0,2,0,0,0,0|2,0,0]=4 10047 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 240690a_100011211644_100015343762 [0,2,0,0,0,0|2,0,0]=4 10048 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 527a_100011211644_100103153847 [0,2,0,0,0,0|2,0,0]=4 10049 B14R1.813 CC(=O)NCC(C)(O)c1ccccc1 527a_100011660926_100103153847 [0,2,0,0,0,0|2,0,0]=4 10050 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 11a_100000717977_100015343762 [0,2,0,0,0,0|2,0,0]=4 10051 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 1626a_100000717977_100015343762 [0,2,0,0,0,0|2,0,0]=4 10052 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 240690a_100000717977_100015343762 [0,2,0,0,0,0|2,0,0]=4 10053 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 527a_100000717977_100103153847 [0,2,0,0,0,0|2,0,0]=4 10054 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100000711301_100000034625 [0,2,0,0,0,0|2,0,0]=4 10055 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100011218174_100000747473 [0,2,0,0,0,0|2,0,0]=4 10056 B14R1.813 CC(C)(NCC(=O)O)c1ccccc1 269956a_100016091260_100000034625 [0,2,0,0,0,0|1,0,0]=3 10057 B14R1.813 CC(C)(OCC(=O)N)c1ccccc1 7a_100000694644_100000187820 [0,2,0,0,0,0|2,0,0]=4 10058 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000034625_100000747473 [0,2,0,0,0,0|2,0,0]=4 10059 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000747473_100000034625 [0,2,0,0,0,0|2,0,0]=4 10060 B14R1.813 CC(C)(SCC(=O)[O-])c1ccccc1 62a_100000034625_100020667443 [0,2,0,0,0,0|1,0,1]=4 10061 B14R1.813 CC(C)(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000034625 [0,2,0,0,0,0|1,0,1]=4 10062 B14R1.813 NC(=O)CSC(F)(F)c1ccccc1 62a_100000747473_100000036403 [0,2,0,0,0,0|2,0,0]=4 10063 B14R1.813 O=C(O)CNC(F)(F)c1ccccc1 269956a_100016091260_100000036403 [0,2,0,0,0,0|1,0,0]=3 10064 B14R1.813 O=C([O-])CSC(F)(F)c1ccccc1 62a_100020667443_100000036403 [0,2,0,0,0,0|1,0,1]=4 10065 B14R1.813 [13CH3]C(=O)CCS(=O)(=O)c1ccccc1 1458a_100000183054_200025704644 [0,2,0,0,0,0|2,0,0]=4 10066 B14R1.76 C#Cc1cccc(c1)COCC(=O)N 34a_100010272118_100000187820 [0,2,0,0,0,0|2,0,0]=4 10067 B14R1.76 C#Cc1cccc(c1)COCC(=O)N 7a_100010272118_100000187820 [0,2,0,0,0,0|2,0,0]=4 10068 B14R1.76 C#Cc1cccc(c1)COCC(=O)[O-] 34a_100010272118_100020667443 [0,2,0,0,0,0|1,0,1]=4 10069 B14R1.76 C#Cc1cccc(c1)NCCC(=O)N 2230a_100000735509_100000744528 [0,2,0,0,0,0|2,0,0]=4 10070 B14R1.76 C#Cc1cccc(c1)NCCC(=O)N 34a_100000735509_100000731001 [0,2,0,0,0,0|2,0,0]=4 10071 B14R1.76 C#Cc1cccc(c1)OCCC(=O)C 7a_100011216014_100000053229 [0,2,0,0,0,0|2,0,0]=4 10072 B14R1.76 C#Cc1cccc(c1)OCCC(=O)N 34a_100011216014_100000731001 [0,2,0,0,0,0|2,0,0]=4 10073 B14R1.76 C#Cc1cccc(c1)OCCC(=O)N 7a_100011216014_100000744528 [0,2,0,0,0,0|2,0,0]=4 10074 B14R1.76 C=Cc1cccc(c1)NCCC(=O)N 34a_100011827668_100000731001 [0,2,0,0,0,0|2,0,0]=4 10075 B14R1.76 C=Cc1cccc(c1)OCCC(=O)C 7a_100011309434_100000053229 [0,2,0,0,0,0|2,0,0]=4 10076 B14R1.76 C=Cc1cccc(c1)OCCC(=O)N 34a_100011309434_100000731001 [0,2,0,0,0,0|2,0,0]=4 10077 B14R1.76 C=Cc1cccc(c1)OCCC(=O)N 7a_100011309434_100000744528 [0,2,0,0,0,0|2,0,0]=4 10078 B14R1.76 C=Cc1cccc(c1)SCCC(=O)C 62a_100000053229_100011215241 [0,2,0,0,0,0|2,0,0]=4 10079 B14R1.76 C=Cc1cccc(c1)SCCC(=O)C 62a_100011215241_100000053229 [0,2,0,0,0,0|2,0,0]=4 10080 B14R1.76 C=Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215241 [0,2,0,0,0,0|2,0,0]=4 10081 B14R1.76 C=Cc1cccc(c1)SCCC(=O)N 62a_100011215241_100000744528 [0,2,0,0,0,0|2,0,0]=4 10082 B14R1.76 CC(=O)CCNc1cccc(c1)C#N 7a_100000210922_100000053229 [0,2,0,0,0,0|2,0,0]=4 10083 B14R1.76 CC(=O)CCNc1cccc(c1)CF 7a_100000126320_100000053229 [0,2,0,0,0,0|2,0,0]=4 10084 B14R1.76 CC(=O)CCOc1cccc(c1)C#N 1458a_100000070787_100000742621 [0,2,0,0,0,0|2,0,0]=4 10085 B14R1.76 CC(=O)CCOc1cccc(c1)C#N 1458a_200011209032_200000210301 [0,2,0,0,0,0|2,0,0]=4 10086 B14R1.76 CC(=O)CCOc1cccc(c1)C#N 7a_100000184713_100000053229 [0,2,0,0,0,0|2,0,0]=4 10087 B14R1.76 CC(=O)CCOc1cccc(c1)CBr 7a_100011660834_100000053229 [0,2,0,0,0,0|2,0,0]=4 10088 B14R1.76 CC(=O)CCOc1cccc(c1)CCl 7a_100000084143_100000053229 [0,2,0,0,0,0|2,0,0]=4 10089 B14R1.76 CC(=O)CCOc1cccc(c1)CO 7a_100011214949_100000053229 [0,2,0,0,0,0|2,0,0]=4 10090 B14R1.76 CC(=O)CCSc1cccc(c1)C#N 62a_100000053229_100000189340 [0,2,0,0,0,0|2,0,0]=4 10091 B14R1.76 CC(=O)CCSc1cccc(c1)C=O 62a_100000014684_100000053229 [0,2,0,0,0,0|2,0,0]=4 10092 B14R1.76 CC(=O)CCSc1cccc(c1)C=O 62a_100000053229_100000014684 [0,2,0,0,0,0|2,0,0]=4 10093 B14R1.76 CC(=O)CCSc1cccc(c1)CF 62a_100000053229_100010878472 [0,2,0,0,0,0|2,0,0]=4 10094 B14R1.76 CC(=O)CCSc1cccc(c1)CF 62a_100010878472_100000053229 [0,2,0,0,0,0|2,0,0]=4 10095 B14R1.76 CC(=O)CCSc1cccc(c1)CN 62a_100000053229_100000106179 [0,2,0,0,0,0|2,0,0]=4 10096 B14R1.76 CC(=O)CCSc1cccc(c1)CN 62a_100000106179_100000053229 [0,2,0,0,0,0|2,0,0]=4 10097 B14R1.76 CC(=O)CCSc1cccc(c1)CO 62a_100000053229_100000687537 [0,2,0,0,0,0|2,0,0]=4 10098 B14R1.76 CC(=O)CCSc1cccc(c1)CO 62a_100000687537_100000053229 [0,2,0,0,0,0|2,0,0]=4 10099 B14R1.76 CC(=O)CCSc1cccc(c1)NN 62a_100000053229_100000217339 [0,2,0,0,0,0|2,0,0]=4 10100 B14R1.76 CC(=O)CCSc1cccc(c1)NN 62a_100000217339_100000053229 [0,2,0,0,0,0|2,0,0]=4 10101 B14R1.76 CC(=O)COCc1cccc(c1)C#N 34a_100000211253_100000233786 [0,2,0,0,0,0|2,0,0]=4 10102 B14R1.76 CC(=O)COCc1cccc(c1)C=O 34a_100000211253_100009816774 [0,2,0,0,0,0|2,0,0]=4 10103 B14R1.76 CC(=O)COCc1cccc(c1)CO 34a_100000211253_100010188025 [0,2,0,0,0,0|2,0,0]=4 10104 B14R1.76 CCc1cccc(c1)NCCC(=O)C 7a_100000211250_100000053229 [0,2,0,0,0,0|2,0,0]=4 10105 B14R1.76 CCc1cccc(c1)NCCC(=O)N 2230a_100000211250_100000744528 [0,2,0,0,0,0|2,0,0]=4 10106 B14R1.76 CCc1cccc(c1)NCCC(=O)N 34a_100000211250_100000731001 [0,2,0,0,0,0|2,0,0]=4 10107 B14R1.76 CCc1cccc(c1)NCCC(=O)N 7a_100000211250_100000744528 [0,2,0,0,0,0|2,0,0]=4 10108 B14R1.76 CCc1cccc(c1)OCCC(=O)C 1458a_100000070787_100000199093 [0,2,0,0,0,0|2,0,0]=4 10109 B14R1.76 CCc1cccc(c1)OCCC(=O)C 7a_100000211550_100000053229 [0,2,0,0,0,0|2,0,0]=4 10110 B14R1.76 CCc1cccc(c1)OCCC(=O)N 34a_100000211550_100000731001 [0,2,0,0,0,0|2,0,0]=4 10111 B14R1.76 CCc1cccc(c1)OCCC(=O)N 7a_100000211550_100000744528 [0,2,0,0,0,0|2,0,0]=4 10112 B14R1.76 CCc1cccc(c1)SCCC(=O)C 62a_100000053229_100011263222 [0,2,0,0,0,0|2,0,0]=4 10113 B14R1.76 CCc1cccc(c1)SCCC(=O)C 62a_100011263222_100000053229 [0,2,0,0,0,0|2,0,0]=4 10114 B14R1.76 CCc1cccc(c1)SCCC(=O)N 62a_100000744528_100011263222 [0,2,0,0,0,0|2,0,0]=4 10115 B14R1.76 CCc1cccc(c1)SCCC(=O)N 62a_100011263222_100000744528 [0,2,0,0,0,0|2,0,0]=4 10116 B14R1.76 CNc1cccc(c1)OCCC(=O)C 7a_100000756613_100000053229 [0,2,0,0,0,0|2,0,0]=4 10117 B14R1.76 CNc1cccc(c1)OCCC(=O)N 34a_100000756613_100000731001 [0,2,0,0,0,0|2,0,0]=4 10118 B14R1.76 CNc1cccc(c1)OCCC(=O)N 7a_100000756613_100000744528 [0,2,0,0,0,0|2,0,0]=4 10119 B14R1.76 CNc1cccc(c1)SCCC(=O)C 62a_100000053229_100000219648 [0,2,0,0,0,0|2,0,0]=4 10120 B14R1.76 CNc1cccc(c1)SCCC(=O)C 62a_100000219648_100000053229 [0,2,0,0,0,0|2,0,0]=4 10121 B14R1.76 CNc1cccc(c1)SCCC(=O)N 62a_100000219648_100000744528 [0,2,0,0,0,0|2,0,0]=4 10122 B14R1.76 CNc1cccc(c1)SCCC(=O)N 62a_100000744528_100000219648 [0,2,0,0,0,0|2,0,0]=4 10123 B14R1.76 COc1cc(ccn1)CNCC(=O)O 269956a_100016091260_100103152439 [0,2,0,0,0,0|2,0,0]=4 10124 B14R1.76 COc1cccc(c1)CCNC(=O)C 11a_100000740386_100015343762 [0,2,0,0,0,0|2,0,0]=4 10125 B14R1.76 COc1cccc(c1)CCNC(=O)C 1626a_100000740386_100015343762 [0,2,0,0,0,0|2,0,0]=4 10126 B14R1.76 COc1cccc(c1)CCNC(=O)C 240690a_100000740386_100015343762 [0,2,0,0,0,0|2,0,0]=4 10127 B14R1.76 COc1cccc(c1)CCNC(=O)C 527a_100000740386_100103153847 [0,2,0,0,0,0|2,0,0]=4 10128 B14R1.76 COc1cccc(c1)CNCC(=O)N 2230a_100000174954_100000747473 [0,2,0,0,0,0|2,0,0]=4 10129 B14R1.76 COc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211672 [0,2,0,0,0,0|2,0,0]=4 10130 B14R1.76 COc1cccc(c1)CNCC(=O)N 34a_100000174954_100000187820 [0,2,0,0,0,0|2,0,0]=4 10131 B14R1.76 COc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000211672 [0,2,0,0,0,0|1,0,0]=3 10132 B14R1.76 COc1cccc(c1)CNCC(=O)[O-] 34a_100000174954_100020667443 [0,2,0,0,0,0|1,0,1]=4 10133 B14R1.76 COc1cccc(c1)COCC(=O)C 34a_100000211253_100000688526 [0,2,0,0,0,0|2,0,0]=4 10134 B14R1.76 COc1cccc(c1)COCC(=O)N 34a_100000198976_100000187820 [0,2,0,0,0,0|2,0,0]=4 10135 B14R1.76 COc1cccc(c1)COCC(=O)[O-] 34a_100000198976_100020667443 [0,2,0,0,0,0|1,0,1]=4 10136 B14R1.76 COc1cccc(c1)CSCC(=O)N 62a_100000688526_100000747473 [0,2,0,0,0,0|2,0,0]=4 10137 B14R1.76 COc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211672 [0,2,0,0,0,0|2,0,0]=4 10138 B14R1.76 COc1cccc(c1)CSCC(=O)[O-] 62a_100000688526_100020667443 [0,2,0,0,0,0|1,0,1]=4 10139 B14R1.76 COc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211672 [0,2,0,0,0,0|1,0,1]=4 10140 B14R1.76 COc1cccc(c1)NCCC(=O)N 34a_100000210024_100000731001 [0,2,0,0,0,0|2,0,0]=4 10141 B14R1.76 COc1cccc(c1)OCCC(=O)C 1458a_100000070787_100000691273 [0,2,0,0,0,0|2,0,0]=4 10142 B14R1.76 COc1cccc(c1)OCCC(=O)C 1458a_100000188295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10143 B14R1.76 COc1cccc(c1)OCCC(=O)C 7a_100000211255_100000053229 [0,2,0,0,0,0|2,0,0]=4 10144 B14R1.76 COc1cccc(c1)OCCC(=O)N 34a_100000211255_100000731001 [0,2,0,0,0,0|2,0,0]=4 10145 B14R1.76 COc1cccc(c1)OCCC(=O)N 7a_100000211255_100000744528 [0,2,0,0,0,0|2,0,0]=4 10146 B14R1.76 COc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000188295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10147 B14R1.76 COc1cccc(c1)SCCC(=O)C 62a_100000053229_100000170001 [0,2,0,0,0,0|2,0,0]=4 10148 B14R1.76 COc1cccc(c1)SCCC(=O)N 62a_100000744528_100000170001 [0,2,0,0,0,0|2,0,0]=4 10149 B14R1.76 COc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000755263 [0,2,0,0,0,0|2,0,0]=4 10150 B14R1.76 COc1ccnc(c1)CNCC(=O)O 269956a_100016091260_100000752681 [0,2,0,0,0,0|2,0,0]=4 10151 B14R1.76 CSc1cccc(c1)NCCC(=O)N 2230a_100000210049_100000744528 [0,2,0,0,0,0|2,0,0]=4 10152 B14R1.76 CSc1cccc(c1)NCCC(=O)N 34a_100000210049_100000731001 [0,2,0,0,0,0|2,0,0]=4 10153 B14R1.76 CSc1cccc(c1)OCCC(=O)C 7a_100011265683_100000053229 [0,2,0,0,0,0|2,0,0]=4 10154 B14R1.76 CSc1cccc(c1)OCCC(=O)N 34a_100011265683_100000731001 [0,2,0,0,0,0|2,0,0]=4 10155 B14R1.76 CSc1cccc(c1)OCCC(=O)N 7a_100011265683_100000744528 [0,2,0,0,0,0|2,0,0]=4 10156 B14R1.76 CSc1cccc(c1)SCCC(=O)C 62a_100000053229_100011215954 [0,2,0,0,0,0|2,0,0]=4 10157 B14R1.76 CSc1cccc(c1)SCCC(=O)C 62a_100011215954_100000053229 [0,2,0,0,0,0|2,0,0]=4 10158 B14R1.76 CSc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215954 [0,2,0,0,0,0|2,0,0]=4 10159 B14R1.76 CSc1cccc(c1)SCCC(=O)N 62a_100011215954_100000744528 [0,2,0,0,0,0|2,0,0]=4 10160 B14R1.76 N#Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000233786 [0,2,0,0,0,0|2,0,0]=4 10161 B14R1.76 N#Cc1cccc(c1)CNCC(=O)N 34a_100000755147_100000187820 [0,2,0,0,0,0|2,0,0]=4 10162 B14R1.76 N#Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000233786 [0,2,0,0,0,0|1,0,0]=3 10163 B14R1.76 N#Cc1cccc(c1)CNCC(=O)[O-] 34a_100000755147_100020667443 [0,2,0,0,0,0|1,0,1]=4 10164 B14R1.76 N#Cc1cccc(c1)COCC(=O)N 34a_100000753308_100000187820 [0,2,0,0,0,0|2,0,0]=4 10165 B14R1.76 N#Cc1cccc(c1)COCC(=O)N 7a_100000753308_100000187820 [0,2,0,0,0,0|2,0,0]=4 10166 B14R1.76 N#Cc1cccc(c1)COCC(=O)[O-] 34a_100000753308_100020667443 [0,2,0,0,0,0|1,0,1]=4 10167 B14R1.76 N#Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000233786 [0,2,0,0,0,0|2,0,0]=4 10168 B14R1.76 N#Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000233786 [0,2,0,0,0,0|1,0,1]=4 10169 B14R1.76 N#Cc1cccc(c1)NCCC(=O)N 34a_100000210922_100000731001 [0,2,0,0,0,0|2,0,0]=4 10170 B14R1.76 N#Cc1cccc(c1)NCCC(=O)N 7a_100000210922_100000744528 [0,2,0,0,0,0|2,0,0]=4 10171 B14R1.76 N#Cc1cccc(c1)OCCC(=O)N 34a_100000184713_100000731001 [0,2,0,0,0,0|2,0,0]=4 10172 B14R1.76 N#Cc1cccc(c1)OCCC(=O)N 7a_100000184713_100000744528 [0,2,0,0,0,0|2,0,0]=4 10173 B14R1.76 N#Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100000189340 [0,2,0,0,0,0|2,0,0]=4 10174 B14R1.76 N#Cc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000097530 [0,2,0,0,0,0|2,0,0]=4 10175 B14R1.76 N#Cc1cncc(c1)CNCC(=O)O 269956a_100016091260_200020634941 [0,2,0,0,0,0|2,0,0]=4 10176 B14R1.76 NC(=O)CCNc1cccc(c1)CF 2230a_100000126320_100000744528 [0,2,0,0,0,0|2,0,0]=4 10177 B14R1.76 NC(=O)CCNc1cccc(c1)CF 34a_100000126320_100000731001 [0,2,0,0,0,0|2,0,0]=4 10178 B14R1.76 NC(=O)CCNc1cccc(c1)CF 7a_100000126320_100000744528 [0,2,0,0,0,0|2,0,0]=4 10179 B14R1.76 NC(=O)CCNc1cccc(c1)CO 2230a_100000211919_100000744528 [0,2,0,0,0,0|2,0,0]=4 10180 B14R1.76 NC(=O)CCNc1cccc(c1)CO 34a_100000211919_100000731001 [0,2,0,0,0,0|2,0,0]=4 10181 B14R1.76 NC(=O)CCOc1cccc(c1)CBr 34a_100011660834_100000731001 [0,2,0,0,0,0|2,0,0]=4 10182 B14R1.76 NC(=O)CCOc1cccc(c1)CBr 7a_100011660834_100000744528 [0,2,0,0,0,0|2,0,0]=4 10183 B14R1.76 NC(=O)CCOc1cccc(c1)CCl 34a_100000084143_100000731001 [0,2,0,0,0,0|2,0,0]=4 10184 B14R1.76 NC(=O)CCOc1cccc(c1)CCl 7a_100000084143_100000744528 [0,2,0,0,0,0|2,0,0]=4 10185 B14R1.76 NC(=O)CCOc1cccc(c1)CO 34a_100011214949_100000731001 [0,2,0,0,0,0|2,0,0]=4 10186 B14R1.76 NC(=O)CCOc1cccc(c1)CO 7a_100011214949_100000744528 [0,2,0,0,0,0|2,0,0]=4 10187 B14R1.76 NC(=O)CCSc1cccc(c1)C=O 62a_100000014684_100000744528 [0,2,0,0,0,0|2,0,0]=4 10188 B14R1.76 NC(=O)CCSc1cccc(c1)C=O 62a_100000744528_100000014684 [0,2,0,0,0,0|2,0,0]=4 10189 B14R1.76 NC(=O)CCSc1cccc(c1)CF 62a_100000744528_100010878472 [0,2,0,0,0,0|2,0,0]=4 10190 B14R1.76 NC(=O)CCSc1cccc(c1)CF 62a_100010878472_100000744528 [0,2,0,0,0,0|2,0,0]=4 10191 B14R1.76 NC(=O)CCSc1cccc(c1)CO 62a_100000687537_100000744528 [0,2,0,0,0,0|2,0,0]=4 10192 B14R1.76 NC(=O)CCSc1cccc(c1)CO 62a_100000744528_100000687537 [0,2,0,0,0,0|2,0,0]=4 10193 B14R1.76 NC(=O)CNCc1cccc(c1)C=O 2230a_100000711301_100009816774 [0,2,0,0,0,0|2,0,0]=4 10194 B14R1.76 NC(=O)CNCc1cccc(c1)CO 2230a_100000711301_100010188025 [0,2,0,0,0,0|2,0,0]=4 10195 B14R1.76 NC(=O)CNCc1cccc(c1)CO 2230a_100011269909_100000747473 [0,2,0,0,0,0|2,0,0]=4 10196 B14R1.76 NC(=O)CNCc1cccc(c1)CO 34a_100011269909_100000187820 [0,2,0,0,0,0|2,0,0]=4 10197 B14R1.76 NC(=O)COCc1cccc(c1)CBr 34a_100010188025_100000187820 [0,2,0,0,0,0|2,0,0]=4 10198 B14R1.76 NC(=O)COCc1cccc(c1)CBr 7a_100010188025_100000187820 [0,2,0,0,0,0|2,0,0]=4 10199 B14R1.76 NC(=O)COCc1cccc(c1)CCl 34a_200000090956_100000187820 [0,2,0,0,0,0|2,0,0]=4 10200 B14R1.76 NC(=O)COCc1cccc(c1)CCl 7a_200000090956_100000187820 [0,2,0,0,0,0|2,0,0]=4 10201 B14R1.76 NC(=O)CSCc1cccc(c1)C=O 62a_100000747473_100009816774 [0,2,0,0,0,0|2,0,0]=4 10202 B14R1.76 NC(=O)CSCc1cccc(c1)C=O 62a_100009816774_100000747473 [0,2,0,0,0,0|2,0,0]=4 10203 B14R1.76 NC(=O)CSCc1cccc(c1)CO 62a_100000747473_100010188025 [0,2,0,0,0,0|2,0,0]=4 10204 B14R1.76 NC(=O)CSCc1cccc(c1)CO 62a_100010188025_100000747473 [0,2,0,0,0,0|2,0,0]=4 10205 B14R1.76 NCc1cccc(c1)COCC(=O)N 34a_100011269909_100000187820 [0,2,0,0,0,0|2,0,0]=4 10206 B14R1.76 NCc1cccc(c1)COCC(=O)[O-] 34a_100011269909_100020667443 [0,2,0,0,0,0|1,0,1]=4 10207 B14R1.76 NCc1cccc(c1)OCCC(=O)N 34a_100000743036_100000731001 [0,2,0,0,0,0|2,0,0]=4 10208 B14R1.76 NCc1cccc(c1)SCCC(=O)N 62a_100000106179_100000744528 [0,2,0,0,0,0|2,0,0]=4 10209 B14R1.76 NCc1cccc(c1)SCCC(=O)N 62a_100000744528_100000106179 [0,2,0,0,0,0|2,0,0]=4 10210 B14R1.76 NNc1cccc(c1)SCCC(=O)N 62a_100000217339_100000744528 [0,2,0,0,0,0|2,0,0]=4 10211 B14R1.76 NNc1cccc(c1)SCCC(=O)N 62a_100000744528_100000217339 [0,2,0,0,0,0|2,0,0]=4 10212 B14R1.76 O=C(O)CNCc1cccc(c1)CO 269956a_100016091260_100010188025 [0,2,0,0,0,0|1,0,0]=3 10213 B14R1.76 O=C(O)CNCc1cccc(n1)CO 269956a_100016091260_100009813551 [0,2,0,0,0,0|2,0,0]=4 10214 B14R1.76 O=C([O-])CNCc1cccc(c1)CO 34a_100011269909_100020667443 [0,2,0,0,0,0|1,0,1]=4 10215 B14R1.76 O=C([O-])COCc1cccc(c1)CBr 34a_100010188025_100020667443 [0,2,0,0,0,0|1,0,1]=4 10216 B14R1.76 O=C([O-])COCc1cccc(c1)CCl 34a_200000090956_100020667443 [0,2,0,0,0,0|1,0,1]=4 10217 B14R1.76 O=C([O-])CSCc1cccc(c1)CO 62a_100010188025_100020667443 [0,2,0,0,0,0|1,0,1]=4 10218 B14R1.76 O=C([O-])CSCc1cccc(c1)CO 62a_100020667443_100010188025 [0,2,0,0,0,0|1,0,1]=4 10219 B14R1.76 O=Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100009816774 [0,2,0,0,0,0|1,0,0]=3 10220 B14R1.76 O=Cc1cccc(c1)CSCC(=O)[O-] 62a_100009816774_100020667443 [0,2,0,0,0,0|1,0,1]=4 10221 B14R1.76 O=Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100009816774 [0,2,0,0,0,0|1,0,1]=4 10222 B14R1.76 [13CH3]C(=O)CCOc1cccc(c1)C#N 1458a_200011209032_200025704644 [0,2,0,0,0,0|2,0,0]=4 10223 B14R1.154 CC(=O)CCNc1cccc(c1Br)O 7a_100012183704_100000053229 [0,2,0,0,0,0|2,0,0]=4 10224 B14R1.154 CC(=O)CCNc1cccc(c1C)C 7a_100000210026_100000053229 [0,2,0,0,0,0|2,0,0]=4 10225 B14R1.154 CC(=O)CCNc1cccc(c1C)Cl 7a_100000210441_100000053229 [0,2,0,0,0,0|2,0,0]=4 10226 B14R1.154 CC(=O)CCNc1cccc(c1C)F 7a_100000745574_100000053229 [0,2,0,0,0,0|2,0,0]=4 10227 B14R1.154 CC(=O)CCNc1cccc(c1C)O 7a_100011216573_100000053229 [0,2,0,0,0,0|2,0,0]=4 10228 B14R1.154 CC(=O)CCNc1cccc(c1Cl)C 7a_100000765562_100000053229 [0,2,0,0,0,0|2,0,0]=4 10229 B14R1.154 CC(=O)CCNc1cccc(c1Cl)O 7a_100012002038_100000053229 [0,2,0,0,0,0|2,0,0]=4 10230 B14R1.154 CC(=O)CCNc1cccc(c1F)C 7a_100000697159_100000053229 [0,2,0,0,0,0|2,0,0]=4 10231 B14R1.154 CC(=O)CCOc1cccc(c1Br)Br 7a_100010187966_100000053229 [0,2,0,0,0,0|2,0,0]=4 10232 B14R1.154 CC(=O)CCOc1cccc(c1Br)C 7a_100000686692_100000053229 [0,2,0,0,0,0|2,0,0]=4 10233 B14R1.154 CC(=O)CCOc1cccc(c1Br)Cl 7a_100012348804_100000053229 [0,2,0,0,0,0|2,0,0]=4 10234 B14R1.154 CC(=O)CCOc1cccc(c1Br)F 7a_100009820682_100000053229 [0,2,0,0,0,0|2,0,0]=4 10235 B14R1.154 CC(=O)CCOc1cccc(c1Br)I 7a_100010187914_100000053229 [0,2,0,0,0,0|2,0,0]=4 10236 B14R1.154 CC(=O)CCOc1cccc(c1Br)N 7a_100012183704_100000053229 [0,2,0,0,0,0|2,0,0]=4 10237 B14R1.154 CC(=O)CCOc1cccc(c1C)Br 7a_100012002258_100000053229 [0,2,0,0,0,0|2,0,0]=4 10238 B14R1.154 CC(=O)CCOc1cccc(c1C)C 1458a_100000737315_200000210301 [0,2,0,0,0,0|2,0,0]=4 10239 B14R1.154 CC(=O)CCOc1cccc(c1C)C 7a_100000185855_100000053229 [0,2,0,0,0,0|2,0,0]=4 10240 B14R1.154 CC(=O)CCOc1cccc(c1C)Cl 7a_100011265684_100000053229 [0,2,0,0,0,0|2,0,0]=4 10241 B14R1.154 CC(=O)CCOc1cccc(c1C)F 7a_100011217231_100000053229 [0,2,0,0,0,0|2,0,0]=4 10242 B14R1.154 CC(=O)CCOc1cccc(c1C)N 7a_100011216573_100000053229 [0,2,0,0,0,0|2,0,0]=4 10243 B14R1.154 CC(=O)CCOc1cccc(c1Cl)Br 7a_100010187913_100000053229 [0,2,0,0,0,0|2,0,0]=4 10244 B14R1.154 CC(=O)CCOc1cccc(c1Cl)C 7a_100000695629_100000053229 [0,2,0,0,0,0|2,0,0]=4 10245 B14R1.154 CC(=O)CCOc1cccc(c1Cl)Cl 1458a_100000741501_200000210301 [0,2,0,0,0,0|2,0,0]=4 10246 B14R1.154 CC(=O)CCOc1cccc(c1Cl)Cl 7a_100000211076_100000053229 [0,2,0,0,0,0|2,0,0]=4 10247 B14R1.154 CC(=O)CCOc1cccc(c1Cl)F 7a_100000087408_100000053229 [0,2,0,0,0,0|2,0,0]=4 10248 B14R1.154 CC(=O)CCOc1cccc(c1Cl)I 7a_100000049636_100000053229 [0,2,0,0,0,0|2,0,0]=4 10249 B14R1.154 CC(=O)CCOc1cccc(c1Cl)N 7a_100012002038_100000053229 [0,2,0,0,0,0|2,0,0]=4 10250 B14R1.154 CC(=O)CCOc1cccc(c1F)Br 7a_100009817021_100000053229 [0,2,0,0,0,0|2,0,0]=4 10251 B14R1.154 CC(=O)CCOc1cccc(c1F)C 7a_100000751311_100000053229 [0,2,0,0,0,0|2,0,0]=4 10252 B14R1.154 CC(=O)CCOc1cccc(c1F)Cl 7a_100000687438_100000053229 [0,2,0,0,0,0|2,0,0]=4 10253 B14R1.154 CC(=O)CCOc1cccc(c1F)F 7a_100000751161_100000053229 [0,2,0,0,0,0|2,0,0]=4 10254 B14R1.154 CC(=O)CCOc1cccc(c1I)Br 7a_100010187912_100000053229 [0,2,0,0,0,0|2,0,0]=4 10255 B14R1.154 CC(=O)CCOc1cccc(c1I)C 7a_100010083724_100000053229 [0,2,0,0,0,0|2,0,0]=4 10256 B14R1.154 CC(=O)CCOc1cccc(c1I)Cl 7a_100000050174_100000053229 [0,2,0,0,0,0|2,0,0]=4 10257 B14R1.154 CC(=O)CCOc1cccc(c1I)F 7a_100000690913_100000053229 [0,2,0,0,0,0|2,0,0]=4 10258 B14R1.154 CC(=O)CCOc1cccc(c1N)Br 7a_100011934926_100000053229 [0,2,0,0,0,0|2,0,0]=4 10259 B14R1.154 CC(=O)CCOc1cccc(c1N)C 7a_100000743429_100000053229 [0,2,0,0,0,0|2,0,0]=4 10260 B14R1.154 CC(=O)CCOc1cccc(c1N)Cl 7a_100012022510_100000053229 [0,2,0,0,0,0|2,0,0]=4 10261 B14R1.154 CC(=O)CCOc1cccc(c1N)F 7a_100020591140_100000053229 [0,2,0,0,0,0|2,0,0]=4 10262 B14R1.154 CC(=O)CCOc1cccc(c1N)I 7a_200000049512_100000053229 [0,2,0,0,0,0|2,0,0]=4 10263 B14R1.154 CC(=O)CCSc1cccc(c1Br)Br 62a_100000053229_100010175083 [0,2,0,0,0,0|2,0,0]=4 10264 B14R1.154 CC(=O)CCSc1cccc(c1Br)Br 62a_100010175083_100000053229 [0,2,0,0,0,0|2,0,0]=4 10265 B14R1.154 CC(=O)CCSc1cccc(c1Br)C 62a_100000053229_100012362457 [0,2,0,0,0,0|2,0,0]=4 10266 B14R1.154 CC(=O)CCSc1cccc(c1Br)C 62a_100012362457_100000053229 [0,2,0,0,0,0|2,0,0]=4 10267 B14R1.154 CC(=O)CCSc1cccc(c1Br)Cl 62a_100000053229_100014021842 [0,2,0,0,0,0|2,0,0]=4 10268 B14R1.154 CC(=O)CCSc1cccc(c1Br)Cl 62a_100014021842_100000053229 [0,2,0,0,0,0|2,0,0]=4 10269 B14R1.154 CC(=O)CCSc1cccc(c1Br)F 62a_100000053229_100010202630 [0,2,0,0,0,0|2,0,0]=4 10270 B14R1.154 CC(=O)CCSc1cccc(c1Br)F 62a_100010202630_100000053229 [0,2,0,0,0,0|2,0,0]=4 10271 B14R1.154 CC(=O)CCSc1cccc(c1Br)O 62a_100000053229_100010187914 [0,2,0,0,0,0|2,0,0]=4 10272 B14R1.154 CC(=O)CCSc1cccc(c1Br)O 62a_100010187914_100000053229 [0,2,0,0,0,0|2,0,0]=4 10273 B14R1.154 CC(=O)CCSc1cccc(c1C)Br 62a_100000053229_100012353703 [0,2,0,0,0,0|2,0,0]=4 10274 B14R1.154 CC(=O)CCSc1cccc(c1C)Br 62a_100012353703_100000053229 [0,2,0,0,0,0|2,0,0]=4 10275 B14R1.154 CC(=O)CCSc1cccc(c1C)C 62a_100000053229_100011214922 [0,2,0,0,0,0|2,0,0]=4 10276 B14R1.154 CC(=O)CCSc1cccc(c1C)C 62a_100011214922_100000053229 [0,2,0,0,0,0|2,0,0]=4 10277 B14R1.154 CC(=O)CCSc1cccc(c1C)Cl 62a_100000053229_100000726075 [0,2,0,0,0,0|2,0,0]=4 10278 B14R1.154 CC(=O)CCSc1cccc(c1C)Cl 62a_100000726075_100000053229 [0,2,0,0,0,0|2,0,0]=4 10279 B14R1.154 CC(=O)CCSc1cccc(c1C)F 62a_100000053229_100011216893 [0,2,0,0,0,0|2,0,0]=4 10280 B14R1.154 CC(=O)CCSc1cccc(c1C)F 62a_100011216893_100000053229 [0,2,0,0,0,0|2,0,0]=4 10281 B14R1.154 CC(=O)CCSc1cccc(c1C)N 62a_100000053229_100000761887 [0,2,0,0,0,0|2,0,0]=4 10282 B14R1.154 CC(=O)CCSc1cccc(c1C)N 62a_100000761887_100000053229 [0,2,0,0,0,0|2,0,0]=4 10283 B14R1.154 CC(=O)CCSc1cccc(c1C)O 62a_100000053229_100012002258 [0,2,0,0,0,0|2,0,0]=4 10284 B14R1.154 CC(=O)CCSc1cccc(c1C)O 62a_100012002258_100000053229 [0,2,0,0,0,0|2,0,0]=4 10285 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Br 62a_100000053229_100010142854 [0,2,0,0,0,0|2,0,0]=4 10286 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Br 62a_100010142854_100000053229 [0,2,0,0,0,0|2,0,0]=4 10287 B14R1.154 CC(=O)CCSc1cccc(c1Cl)C 62a_100000053229_200012352035 [0,2,0,0,0,0|2,0,0]=4 10288 B14R1.154 CC(=O)CCSc1cccc(c1Cl)C 62a_200012352035_100000053229 [0,2,0,0,0,0|2,0,0]=4 10289 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Cl 62a_100000053229_100011215384 [0,2,0,0,0,0|2,0,0]=4 10290 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Cl 62a_100011215384_100000053229 [0,2,0,0,0,0|2,0,0]=4 10291 B14R1.154 CC(=O)CCSc1cccc(c1Cl)F 62a_100000053229_200010234923 [0,2,0,0,0,0|2,0,0]=4 10292 B14R1.154 CC(=O)CCSc1cccc(c1Cl)F 62a_200010234923_100000053229 [0,2,0,0,0,0|2,0,0]=4 10293 B14R1.154 CC(=O)CCSc1cccc(c1Cl)O 62a_100000053229_100000049636 [0,2,0,0,0,0|2,0,0]=4 10294 B14R1.154 CC(=O)CCSc1cccc(c1F)Br 62a_100000053229_100000702267 [0,2,0,0,0,0|2,0,0]=4 10295 B14R1.154 CC(=O)CCSc1cccc(c1F)Br 62a_100000702267_100000053229 [0,2,0,0,0,0|2,0,0]=4 10296 B14R1.154 CC(=O)CCSc1cccc(c1F)C 62a_100000053229_100000717567 [0,2,0,0,0,0|2,0,0]=4 10297 B14R1.154 CC(=O)CCSc1cccc(c1F)C 62a_100000717567_100000053229 [0,2,0,0,0,0|2,0,0]=4 10298 B14R1.154 CC(=O)CCSc1cccc(c1F)Cl 62a_100000053229_100011217346 [0,2,0,0,0,0|2,0,0]=4 10299 B14R1.154 CC(=O)CCSc1cccc(c1F)Cl 62a_100011217346_100000053229 [0,2,0,0,0,0|2,0,0]=4 10300 B14R1.154 CC(=O)CCSc1cccc(c1F)F 62a_100000053229_100000694657 [0,2,0,0,0,0|2,0,0]=4 10301 B14R1.154 CC(=O)CCSc1cccc(c1F)F 62a_100000694657_100000053229 [0,2,0,0,0,0|2,0,0]=4 10302 B14R1.154 CC(=O)CCSc1cccc(c1F)N 62a_100000053229_100011935091 [0,2,0,0,0,0|2,0,0]=4 10303 B14R1.154 CC(=O)CCSc1cccc(c1F)N 62a_100011935091_100000053229 [0,2,0,0,0,0|2,0,0]=4 10304 B14R1.154 CC(=O)CCSc1cccc(c1F)O 62a_100000053229_100009817021 [0,2,0,0,0,0|2,0,0]=4 10305 B14R1.154 CC(=O)CCSc1cccc(c1F)O 62a_100009817021_100000053229 [0,2,0,0,0,0|2,0,0]=4 10306 B14R1.154 CC(=O)CCSc1cccc(c1N)Br 62a_100000053229_100010146558 [0,2,0,0,0,0|2,0,0]=4 10307 B14R1.154 CC(=O)CCSc1cccc(c1N)Br 62a_100010146558_100000053229 [0,2,0,0,0,0|2,0,0]=4 10308 B14R1.154 CC(=O)CCSc1cccc(c1N)C 62a_100000053229_100011834072 [0,2,0,0,0,0|2,0,0]=4 10309 B14R1.154 CC(=O)CCSc1cccc(c1N)C 62a_100011834072_100000053229 [0,2,0,0,0,0|2,0,0]=4 10310 B14R1.154 CC(=O)CCSc1cccc(c1N)Cl 62a_100000053229_100010190421 [0,2,0,0,0,0|2,0,0]=4 10311 B14R1.154 CC(=O)CCSc1cccc(c1N)Cl 62a_100010190421_100000053229 [0,2,0,0,0,0|2,0,0]=4 10312 B14R1.154 CC(=O)CCSc1cccc(c1N)F 62a_100000042321_100000053229 [0,2,0,0,0,0|2,0,0]=4 10313 B14R1.154 CC(=O)CCSc1cccc(c1N)F 62a_100000053229_100000042321 [0,2,0,0,0,0|2,0,0]=4 10314 B14R1.154 CC(=O)CCSc1cccc(c1N)N 62a_100015191791_100000053229 [0,2,0,0,0,0|2,0,0]=4 10315 B14R1.154 CC(=O)CCSc1cccc(c1N)O 62a_100000053229_100011934926 [0,2,0,0,0,0|2,0,0]=4 10316 B14R1.154 CC(=O)CCSc1cccc(c1O)Br 62a_100000053229_100010084509 [0,2,0,0,0,0|2,0,0]=4 10317 B14R1.154 CC(=O)CCSc1cccc(c1O)Br 62a_100010084509_100000053229 [0,2,0,0,0,0|2,0,0]=4 10318 B14R1.154 CC(=O)CCSc1cccc(c1O)C 62a_100000053229_100009817157 [0,2,0,0,0,0|2,0,0]=4 10319 B14R1.154 CC(=O)CCSc1cccc(c1O)C 62a_100009817157_100000053229 [0,2,0,0,0,0|2,0,0]=4 10320 B14R1.154 CC(=O)CCSc1cccc(c1O)Cl 62a_100000053229_100010202889 [0,2,0,0,0,0|2,0,0]=4 10321 B14R1.154 CC(=O)CCSc1cccc(c1O)Cl 62a_100010202889_100000053229 [0,2,0,0,0,0|2,0,0]=4 10322 B14R1.154 CC(=O)CCSc1cccc(c1O)F 62a_100000053229_100009813666 [0,2,0,0,0,0|2,0,0]=4 10323 B14R1.154 CC(=O)CCSc1cccc(c1O)F 62a_100009813666_100000053229 [0,2,0,0,0,0|2,0,0]=4 10324 B14R1.154 CC(=O)CCSc1cccc(c1O)N 62a_100000053229_100010084371 [0,2,0,0,0,0|2,0,0]=4 10325 B14R1.154 CC(=O)CCSc1cccc(c1O)N 62a_100011934915_100000053229 [0,2,0,0,0,0|2,0,0]=4 10326 B14R1.154 CC(=O)CCSc1cccc(c1O)O 62a_100000053229_100009815950 [0,2,0,0,0,0|2,0,0]=4 10327 B14R1.154 CC(=O)COCc1cccc(c1Br)C 34a_100000211253_200012349612 [0,2,0,0,0,0|2,0,0]=4 10328 B14R1.154 CC(=O)COCc1cccc(c1Br)Cl 34a_100000211253_100010145525 [0,2,0,0,0,0|2,0,0]=4 10329 B14R1.154 CC(=O)COCc1cccc(c1Br)F 34a_100000211253_100012351116 [0,2,0,0,0,0|2,0,0]=4 10330 B14R1.154 CC(=O)COCc1cccc(c1Br)I 34a_100000211253_100010254545 [0,2,0,0,0,0|2,0,0]=4 10331 B14R1.154 CC(=O)COCc1cccc(c1C)Br 34a_100000211253_100000694682 [0,2,0,0,0,0|2,0,0]=4 10332 B14R1.154 CC(=O)COCc1cccc(c1C)C 34a_100000211253_100011273979 [0,2,0,0,0,0|2,0,0]=4 10333 B14R1.154 CC(=O)COCc1cccc(c1C)Cl 34a_100000211253_100012186920 [0,2,0,0,0,0|2,0,0]=4 10334 B14R1.154 CC(=O)COCc1cccc(c1C)F 34a_100000211253_100009813626 [0,2,0,0,0,0|2,0,0]=4 10335 B14R1.154 CC(=O)COCc1cccc(c1C)I 34a_100000211253_100010150147 [0,2,0,0,0,0|2,0,0]=4 10336 B14R1.154 CC(=O)COCc1cccc(c1Cl)Br 34a_100000211253_100012349491 [0,2,0,0,0,0|2,0,0]=4 10337 B14R1.154 CC(=O)COCc1cccc(c1Cl)Cl 34a_100000211253_100000723366 [0,2,0,0,0,0|2,0,0]=4 10338 B14R1.154 CC(=O)COCc1cccc(c1Cl)F 34a_100000211253_100000696688 [0,2,0,0,0,0|2,0,0]=4 10339 B14R1.154 CC(=O)COCc1cccc(c1F)Br 34a_100000211253_100012356506 [0,2,0,0,0,0|2,0,0]=4 10340 B14R1.154 CC(=O)COCc1cccc(c1F)C 34a_100000211253_100011216058 [0,2,0,0,0,0|2,0,0]=4 10341 B14R1.154 CC(=O)COCc1cccc(c1F)Cl 34a_100000211253_100000716733 [0,2,0,0,0,0|2,0,0]=4 10342 B14R1.154 CC(=O)COCc1cccc(c1F)F 34a_100000211253_100000217499 [0,2,0,0,0,0|2,0,0]=4 10343 B14R1.154 CC(=O)COCc1cccc(c1I)F 34a_100000211253_100010149603 [0,2,0,0,0,0|2,0,0]=4 10344 B14R1.154 CC(=O)NCCc1cccc(c1C)Br 11a_100161000114_100015343762 [0,2,0,0,0,0|2,0,0]=4 10345 B14R1.154 CC(=O)NCCc1cccc(c1C)Br 1626a_100161000114_100015343762 [0,2,0,0,0,0|2,0,0]=4 10346 B14R1.154 CC(=O)NCCc1cccc(c1C)Br 240690a_100161000114_100015343762 [0,2,0,0,0,0|2,0,0]=4 10347 B14R1.154 CC(=O)NCCc1cccc(c1C)Br 527a_100161000114_100103153847 [0,2,0,0,0,0|2,0,0]=4 10348 B14R1.154 CC(=O)NCCc1cccc(c1Cl)Cl 11a_100000741019_100015343762 [0,2,0,0,0,0|2,0,0]=4 10349 B14R1.154 CC(=O)NCCc1cccc(c1Cl)Cl 1626a_100000741019_100015343762 [0,2,0,0,0,0|2,0,0]=4 10350 B14R1.154 CC(=O)NCCc1cccc(c1Cl)Cl 240690a_100000741019_100015343762 [0,2,0,0,0,0|2,0,0]=4 10351 B14R1.154 CC(=O)NCCc1cccc(c1Cl)Cl 527a_100000741019_100103153847 [0,2,0,0,0,0|2,0,0]=4 10352 B14R1.154 Cc1c(cccc1CNCC(=O)N)Br 2230a_100000711301_100000694682 [0,2,0,0,0,0|2,0,0]=4 10353 B14R1.154 Cc1c(cccc1CNCC(=O)N)Br 34a_100000724210_100000187820 [0,2,0,0,0,0|2,0,0]=4 10354 B14R1.154 Cc1c(cccc1CNCC(=O)N)Cl 2230a_100000711301_100012186920 [0,2,0,0,0,0|2,0,0]=4 10355 B14R1.154 Cc1c(cccc1CNCC(=O)N)Cl 2230a_100020639605_100000747473 [0,2,0,0,0,0|2,0,0]=4 10356 B14R1.154 Cc1c(cccc1CNCC(=O)N)Cl 34a_100020639605_100000187820 [0,2,0,0,0,0|2,0,0]=4 10357 B14R1.154 Cc1c(cccc1CNCC(=O)N)F 2230a_100000711301_100009813626 [0,2,0,0,0,0|2,0,0]=4 10358 B14R1.154 Cc1c(cccc1CNCC(=O)N)F 2230a_100132306986_100000747473 [0,2,0,0,0,0|2,0,0]=4 10359 B14R1.154 Cc1c(cccc1CNCC(=O)N)F 34a_100132306986_100000187820 [0,2,0,0,0,0|2,0,0]=4 10360 B14R1.154 Cc1c(cccc1CNCC(=O)N)I 2230a_100000711301_100010150147 [0,2,0,0,0,0|2,0,0]=4 10361 B14R1.154 Cc1c(cccc1CNCC(=O)O)Br 269956a_100016091260_100000694682 [0,2,0,0,0,0|1,0,0]=3 10362 B14R1.154 Cc1c(cccc1CNCC(=O)O)Cl 269956a_100016091260_100012186920 [0,2,0,0,0,0|1,0,0]=3 10363 B14R1.154 Cc1c(cccc1CNCC(=O)O)F 269956a_100016091260_100009813626 [0,2,0,0,0,0|1,0,0]=3 10364 B14R1.154 Cc1c(cccc1CNCC(=O)O)I 269956a_100016091260_100010150147 [0,2,0,0,0,0|1,0,0]=3 10365 B14R1.154 Cc1c(cccc1CNCC(=O)[O-])Br 34a_100000724210_100020667443 [0,2,0,0,0,0|1,0,1]=4 10366 B14R1.154 Cc1c(cccc1CNCC(=O)[O-])Cl 34a_100020639605_100020667443 [0,2,0,0,0,0|1,0,1]=4 10367 B14R1.154 Cc1c(cccc1CNCC(=O)[O-])F 34a_100132306986_100020667443 [0,2,0,0,0,0|1,0,1]=4 10368 B14R1.154 Cc1c(cccc1COCC(=O)N)Br 34a_100000694458_100000187820 [0,2,0,0,0,0|2,0,0]=4 10369 B14R1.154 Cc1c(cccc1COCC(=O)N)Br 7a_100000694458_100000187820 [0,2,0,0,0,0|2,0,0]=4 10370 B14R1.154 Cc1c(cccc1COCC(=O)N)Cl 34a_100012000165_100000187820 [0,2,0,0,0,0|2,0,0]=4 10371 B14R1.154 Cc1c(cccc1COCC(=O)N)Cl 7a_100012000165_100000187820 [0,2,0,0,0,0|2,0,0]=4 10372 B14R1.154 Cc1c(cccc1COCC(=O)N)F 34a_100000042775_100000187820 [0,2,0,0,0,0|2,0,0]=4 10373 B14R1.154 Cc1c(cccc1COCC(=O)N)F 7a_100000042775_100000187820 [0,2,0,0,0,0|2,0,0]=4 10374 B14R1.154 Cc1c(cccc1COCC(=O)N)I 34a_100010150139_100000187820 [0,2,0,0,0,0|2,0,0]=4 10375 B14R1.154 Cc1c(cccc1COCC(=O)N)I 7a_100010150139_100000187820 [0,2,0,0,0,0|2,0,0]=4 10376 B14R1.154 Cc1c(cccc1COCC(=O)N)N 34a_102495339961_100000187820 [0,2,0,0,0,0|2,0,0]=4 10377 B14R1.154 Cc1c(cccc1COCC(=O)N)N 7a_102495339961_100000187820 [0,2,0,0,0,0|2,0,0]=4 10378 B14R1.154 Cc1c(cccc1COCC(=O)[O-])Br 34a_100000694458_100020667443 [0,2,0,0,0,0|1,0,1]=4 10379 B14R1.154 Cc1c(cccc1COCC(=O)[O-])Cl 34a_100012000165_100020667443 [0,2,0,0,0,0|1,0,1]=4 10380 B14R1.154 Cc1c(cccc1COCC(=O)[O-])F 34a_100000042775_100020667443 [0,2,0,0,0,0|1,0,1]=4 10381 B14R1.154 Cc1c(cccc1COCC(=O)[O-])I 34a_100010150139_100020667443 [0,2,0,0,0,0|1,0,1]=4 10382 B14R1.154 Cc1c(cccc1COCC(=O)[O-])N 34a_102495339961_100020667443 [0,2,0,0,0,0|1,0,1]=4 10383 B14R1.154 Cc1c(cccc1CSCC(=O)N)Br 62a_100000694682_100000747473 [0,2,0,0,0,0|2,0,0]=4 10384 B14R1.154 Cc1c(cccc1CSCC(=O)N)Br 62a_100000747473_100000694682 [0,2,0,0,0,0|2,0,0]=4 10385 B14R1.154 Cc1c(cccc1CSCC(=O)N)Cl 62a_100000747473_100012186920 [0,2,0,0,0,0|2,0,0]=4 10386 B14R1.154 Cc1c(cccc1CSCC(=O)N)Cl 62a_100012186920_100000747473 [0,2,0,0,0,0|2,0,0]=4 10387 B14R1.154 Cc1c(cccc1CSCC(=O)N)F 62a_100000747473_100009813626 [0,2,0,0,0,0|2,0,0]=4 10388 B14R1.154 Cc1c(cccc1CSCC(=O)N)F 62a_100009813626_100000747473 [0,2,0,0,0,0|2,0,0]=4 10389 B14R1.154 Cc1c(cccc1CSCC(=O)N)I 62a_100000747473_100010150147 [0,2,0,0,0,0|2,0,0]=4 10390 B14R1.154 Cc1c(cccc1CSCC(=O)N)I 62a_100010150147_100000747473 [0,2,0,0,0,0|2,0,0]=4 10391 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])Br 62a_100000694682_100020667443 [0,2,0,0,0,0|1,0,1]=4 10392 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])Br 62a_100020667443_100000694682 [0,2,0,0,0,0|1,0,1]=4 10393 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])Cl 62a_100012186920_100020667443 [0,2,0,0,0,0|1,0,1]=4 10394 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])Cl 62a_100020667443_100012186920 [0,2,0,0,0,0|1,0,1]=4 10395 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])F 62a_100009813626_100020667443 [0,2,0,0,0,0|1,0,1]=4 10396 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])F 62a_100020667443_100009813626 [0,2,0,0,0,0|1,0,1]=4 10397 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])I 62a_100010150147_100020667443 [0,2,0,0,0,0|1,0,1]=4 10398 B14R1.154 Cc1c(cccc1CSCC(=O)[O-])I 62a_100020667443_100010150147 [0,2,0,0,0,0|1,0,1]=4 10399 B14R1.154 Cc1c(cccc1NCCC(=O)N)Br 34a_100000750434_100000731001 [0,2,0,0,0,0|2,0,0]=4 10400 B14R1.154 Cc1c(cccc1NCCC(=O)N)Cl 2230a_100000210441_100000744528 [0,2,0,0,0,0|2,0,0]=4 10401 B14R1.154 Cc1c(cccc1NCCC(=O)N)Cl 34a_100000210441_100000731001 [0,2,0,0,0,0|2,0,0]=4 10402 B14R1.154 Cc1c(cccc1NCCC(=O)N)Cl 7a_100000210441_100000744528 [0,2,0,0,0,0|2,0,0]=4 10403 B14R1.154 Cc1c(cccc1NCCC(=O)N)F 34a_100000745574_100000731001 [0,2,0,0,0,0|2,0,0]=4 10404 B14R1.154 Cc1c(cccc1NCCC(=O)N)F 7a_100000745574_100000744528 [0,2,0,0,0,0|2,0,0]=4 10405 B14R1.154 Cc1c(cccc1NCCC(=O)N)I 34a_100000761887_100000731001 [0,2,0,0,0,0|2,0,0]=4 10406 B14R1.154 Cc1c(cccc1NCCC(=O)N)O 34a_100011216573_100000731001 [0,2,0,0,0,0|2,0,0]=4 10407 B14R1.154 Cc1c(cccc1NCCC(=O)N)O 7a_100011216573_100000744528 [0,2,0,0,0,0|2,0,0]=4 10408 B14R1.154 Cc1c(cccc1OCCC(=O)N)Br 34a_100012002258_100000731001 [0,2,0,0,0,0|2,0,0]=4 10409 B14R1.154 Cc1c(cccc1OCCC(=O)N)Br 7a_100012002258_100000744528 [0,2,0,0,0,0|2,0,0]=4 10410 B14R1.154 Cc1c(cccc1OCCC(=O)N)Cl 34a_100011265684_100000731001 [0,2,0,0,0,0|2,0,0]=4 10411 B14R1.154 Cc1c(cccc1OCCC(=O)N)Cl 7a_100011265684_100000744528 [0,2,0,0,0,0|2,0,0]=4 10412 B14R1.154 Cc1c(cccc1OCCC(=O)N)F 34a_100011217231_100000731001 [0,2,0,0,0,0|2,0,0]=4 10413 B14R1.154 Cc1c(cccc1OCCC(=O)N)F 7a_100011217231_100000744528 [0,2,0,0,0,0|2,0,0]=4 10414 B14R1.154 Cc1c(cccc1OCCC(=O)N)N 34a_100011216573_100000731001 [0,2,0,0,0,0|2,0,0]=4 10415 B14R1.154 Cc1c(cccc1OCCC(=O)N)N 7a_100011216573_100000744528 [0,2,0,0,0,0|2,0,0]=4 10416 B14R1.154 Cc1c(cccc1SCCC(=O)N)Br 62a_100000744528_100012353703 [0,2,0,0,0,0|2,0,0]=4 10417 B14R1.154 Cc1c(cccc1SCCC(=O)N)Br 62a_100012353703_100000744528 [0,2,0,0,0,0|2,0,0]=4 10418 B14R1.154 Cc1c(cccc1SCCC(=O)N)Cl 62a_100000726075_100000744528 [0,2,0,0,0,0|2,0,0]=4 10419 B14R1.154 Cc1c(cccc1SCCC(=O)N)Cl 62a_100000744528_100000726075 [0,2,0,0,0,0|2,0,0]=4 10420 B14R1.154 Cc1c(cccc1SCCC(=O)N)F 62a_100000744528_100011216893 [0,2,0,0,0,0|2,0,0]=4 10421 B14R1.154 Cc1c(cccc1SCCC(=O)N)F 62a_100011216893_100000744528 [0,2,0,0,0,0|2,0,0]=4 10422 B14R1.154 Cc1c(cccc1SCCC(=O)N)N 62a_100000744528_100000761887 [0,2,0,0,0,0|2,0,0]=4 10423 B14R1.154 Cc1c(cccc1SCCC(=O)N)N 62a_100000761887_100000744528 [0,2,0,0,0,0|2,0,0]=4 10424 B14R1.154 Cc1c(cccc1SCCC(=O)N)O 62a_100000744528_100012002258 [0,2,0,0,0,0|2,0,0]=4 10425 B14R1.154 Cc1c(cccc1SCCC(=O)N)O 62a_100012002258_100000744528 [0,2,0,0,0,0|2,0,0]=4 10426 B14R1.154 Cc1c(ccnc1CNCC(=O)O)Cl 269956a_100016091260_100020614443 [0,2,0,0,0,0|2,0,0]=4 10427 B14R1.154 Cc1cccc(c1Br)CNCC(=O)N 2230a_100000711301_200012349612 [0,2,0,0,0,0|2,0,0]=4 10428 B14R1.154 Cc1cccc(c1Br)CNCC(=O)O 269956a_100016091260_200012349612 [0,2,0,0,0,0|1,0,0]=3 10429 B14R1.154 Cc1cccc(c1Br)COCC(=O)N 34a_100011659289_100000187820 [0,2,0,0,0,0|2,0,0]=4 10430 B14R1.154 Cc1cccc(c1Br)COCC(=O)N 7a_100011659289_100000187820 [0,2,0,0,0,0|2,0,0]=4 10431 B14R1.154 Cc1cccc(c1Br)COCC(=O)[O-] 34a_100011659289_100020667443 [0,2,0,0,0,0|1,0,1]=4 10432 B14R1.154 Cc1cccc(c1Br)CSCC(=O)N 62a_100000747473_200012349612 [0,2,0,0,0,0|2,0,0]=4 10433 B14R1.154 Cc1cccc(c1Br)CSCC(=O)N 62a_200012349612_100000747473 [0,2,0,0,0,0|2,0,0]=4 10434 B14R1.154 Cc1cccc(c1Br)CSCC(=O)[O-] 62a_100020667443_200012349612 [0,2,0,0,0,0|1,0,1]=4 10435 B14R1.154 Cc1cccc(c1Br)CSCC(=O)[O-] 62a_200012349612_100020667443 [0,2,0,0,0,0|1,0,1]=4 10436 B14R1.154 Cc1cccc(c1Br)NCCC(=O)N 34a_100000684715_100000731001 [0,2,0,0,0,0|2,0,0]=4 10437 B14R1.154 Cc1cccc(c1Br)OCCC(=O)N 34a_100000686692_100000731001 [0,2,0,0,0,0|2,0,0]=4 10438 B14R1.154 Cc1cccc(c1Br)OCCC(=O)N 7a_100000686692_100000744528 [0,2,0,0,0,0|2,0,0]=4 10439 B14R1.154 Cc1cccc(c1Br)SCCC(=O)N 62a_100000744528_100012362457 [0,2,0,0,0,0|2,0,0]=4 10440 B14R1.154 Cc1cccc(c1Br)SCCC(=O)N 62a_100012362457_100000744528 [0,2,0,0,0,0|2,0,0]=4 10441 B14R1.154 Cc1cccc(c1C)CNCC(=O)N 2230a_100000711301_100011515928 [0,2,0,0,0,0|2,0,0]=4 10442 B14R1.154 Cc1cccc(c1C)CNCC(=O)N 2230a_100011211637_100000747473 [0,2,0,0,0,0|2,0,0]=4 10443 B14R1.154 Cc1cccc(c1C)CNCC(=O)N 34a_100011211637_100000187820 [0,2,0,0,0,0|2,0,0]=4 10444 B14R1.154 Cc1cccc(c1C)CNCC(=O)O 269956a_100016091260_100011515928 [0,2,0,0,0,0|1,0,0]=3 10445 B14R1.154 Cc1cccc(c1C)CNCC(=O)[O-] 34a_100011211637_100020667443 [0,2,0,0,0,0|1,0,1]=4 10446 B14R1.154 Cc1cccc(c1C)COCC(=O)N 34a_100011219135_100000187820 [0,2,0,0,0,0|2,0,0]=4 10447 B14R1.154 Cc1cccc(c1C)COCC(=O)N 7a_100011219135_100000187820 [0,2,0,0,0,0|2,0,0]=4 10448 B14R1.154 Cc1cccc(c1C)COCC(=O)[O-] 34a_100011219135_100020667443 [0,2,0,0,0,0|1,0,1]=4 10449 B14R1.154 Cc1cccc(c1C)CSCC(=O)N 62a_100000747473_100011515928 [0,2,0,0,0,0|2,0,0]=4 10450 B14R1.154 Cc1cccc(c1C)CSCC(=O)N 62a_100011515928_100000747473 [0,2,0,0,0,0|2,0,0]=4 10451 B14R1.154 Cc1cccc(c1C)CSCC(=O)[O-] 62a_100011515928_100020667443 [0,2,0,0,0,0|1,0,1]=4 10452 B14R1.154 Cc1cccc(c1C)CSCC(=O)[O-] 62a_100020667443_100011515928 [0,2,0,0,0,0|1,0,1]=4 10453 B14R1.154 Cc1cccc(c1C)NCCC(=O)N 2230a_100000210026_100000744528 [0,2,0,0,0,0|2,0,0]=4 10454 B14R1.154 Cc1cccc(c1C)NCCC(=O)N 34a_100000210026_100000731001 [0,2,0,0,0,0|2,0,0]=4 10455 B14R1.154 Cc1cccc(c1C)NCCC(=O)N 7a_100000210026_100000744528 [0,2,0,0,0,0|2,0,0]=4 10456 B14R1.154 Cc1cccc(c1C)OCCC(=O)N 34a_100000185855_100000731001 [0,2,0,0,0,0|2,0,0]=4 10457 B14R1.154 Cc1cccc(c1C)OCCC(=O)N 7a_100000185855_100000744528 [0,2,0,0,0,0|2,0,0]=4 10458 B14R1.154 Cc1cccc(c1C)OCCC(=O)[13CH3] 1458a_100000737315_200025704644 [0,2,0,0,0,0|2,0,0]=4 10459 B14R1.154 Cc1cccc(c1C)SCCC(=O)N 62a_100000744528_100011214922 [0,2,0,0,0,0|2,0,0]=4 10460 B14R1.154 Cc1cccc(c1C)SCCC(=O)N 62a_100011214922_100000744528 [0,2,0,0,0,0|2,0,0]=4 10461 B14R1.154 Cc1cccc(c1Cl)CNCC(=O)N 2230a_100025705714_100000747473 [0,2,0,0,0,0|2,0,0]=4 10462 B14R1.154 Cc1cccc(c1Cl)CNCC(=O)N 34a_100025705714_100000187820 [0,2,0,0,0,0|2,0,0]=4 10463 B14R1.154 Cc1cccc(c1Cl)CNCC(=O)[O-] 34a_100025705714_100020667443 [0,2,0,0,0,0|1,0,1]=4 10464 B14R1.154 Cc1cccc(c1Cl)COCC(=O)N 34a_100000710031_100000187820 [0,2,0,0,0,0|2,0,0]=4 10465 B14R1.154 Cc1cccc(c1Cl)COCC(=O)N 7a_100000710031_100000187820 [0,2,0,0,0,0|2,0,0]=4 10466 B14R1.154 Cc1cccc(c1Cl)COCC(=O)[O-] 34a_100000710031_100020667443 [0,2,0,0,0,0|1,0,1]=4 10467 B14R1.154 Cc1cccc(c1Cl)NCCC(=O)N 34a_100000765562_100000731001 [0,2,0,0,0,0|2,0,0]=4 10468 B14R1.154 Cc1cccc(c1Cl)NCCC(=O)N 7a_100000765562_100000744528 [0,2,0,0,0,0|2,0,0]=4 10469 B14R1.154 Cc1cccc(c1Cl)OCCC(=O)N 34a_100000695629_100000731001 [0,2,0,0,0,0|2,0,0]=4 10470 B14R1.154 Cc1cccc(c1Cl)OCCC(=O)N 7a_100000695629_100000744528 [0,2,0,0,0,0|2,0,0]=4 10471 B14R1.154 Cc1cccc(c1Cl)SCCC(=O)N 62a_100000744528_200012352035 [0,2,0,0,0,0|2,0,0]=4 10472 B14R1.154 Cc1cccc(c1Cl)SCCC(=O)N 62a_200012352035_100000744528 [0,2,0,0,0,0|2,0,0]=4 10473 B14R1.154 Cc1cccc(c1F)CNCC(=O)N 2230a_100000711301_100011216058 [0,2,0,0,0,0|2,0,0]=4 10474 B14R1.154 Cc1cccc(c1F)CNCC(=O)N 2230a_100012002060_100000747473 [0,2,0,0,0,0|2,0,0]=4 10475 B14R1.154 Cc1cccc(c1F)CNCC(=O)N 34a_100012002060_100000187820 [0,2,0,0,0,0|2,0,0]=4 10476 B14R1.154 Cc1cccc(c1F)CNCC(=O)O 269956a_100016091260_100011216058 [0,2,0,0,0,0|1,0,0]=3 10477 B14R1.154 Cc1cccc(c1F)CNCC(=O)[O-] 34a_100012002060_100020667443 [0,2,0,0,0,0|1,0,1]=4 10478 B14R1.154 Cc1cccc(c1F)COCC(=O)N 34a_200011219517_100000187820 [0,2,0,0,0,0|2,0,0]=4 10479 B14R1.154 Cc1cccc(c1F)COCC(=O)N 7a_200011219517_100000187820 [0,2,0,0,0,0|2,0,0]=4 10480 B14R1.154 Cc1cccc(c1F)COCC(=O)[O-] 34a_200011219517_100020667443 [0,2,0,0,0,0|1,0,1]=4 10481 B14R1.154 Cc1cccc(c1F)CSCC(=O)N 62a_100000747473_100011216058 [0,2,0,0,0,0|2,0,0]=4 10482 B14R1.154 Cc1cccc(c1F)CSCC(=O)N 62a_100011216058_100000747473 [0,2,0,0,0,0|2,0,0]=4 10483 B14R1.154 Cc1cccc(c1F)CSCC(=O)[O-] 62a_100011216058_100020667443 [0,2,0,0,0,0|1,0,1]=4 10484 B14R1.154 Cc1cccc(c1F)CSCC(=O)[O-] 62a_100020667443_100011216058 [0,2,0,0,0,0|1,0,1]=4 10485 B14R1.154 Cc1cccc(c1F)NCCC(=O)N 2230a_100000697159_100000744528 [0,2,0,0,0,0|2,0,0]=4 10486 B14R1.154 Cc1cccc(c1F)NCCC(=O)N 34a_100000697159_100000731001 [0,2,0,0,0,0|2,0,0]=4 10487 B14R1.154 Cc1cccc(c1F)NCCC(=O)N 7a_100000697159_100000744528 [0,2,0,0,0,0|2,0,0]=4 10488 B14R1.154 Cc1cccc(c1F)OCCC(=O)N 34a_100000751311_100000731001 [0,2,0,0,0,0|2,0,0]=4 10489 B14R1.154 Cc1cccc(c1F)OCCC(=O)N 7a_100000751311_100000744528 [0,2,0,0,0,0|2,0,0]=4 10490 B14R1.154 Cc1cccc(c1F)SCCC(=O)N 62a_100000717567_100000744528 [0,2,0,0,0,0|2,0,0]=4 10491 B14R1.154 Cc1cccc(c1F)SCCC(=O)N 62a_100000744528_100000717567 [0,2,0,0,0,0|2,0,0]=4 10492 B14R1.154 Cc1cccc(c1I)COCC(=O)N 34a_100012349780_100000187820 [0,2,0,0,0,0|2,0,0]=4 10493 B14R1.154 Cc1cccc(c1I)COCC(=O)N 7a_100012349780_100000187820 [0,2,0,0,0,0|2,0,0]=4 10494 B14R1.154 Cc1cccc(c1I)COCC(=O)[O-] 34a_100012349780_100020667443 [0,2,0,0,0,0|1,0,1]=4 10495 B14R1.154 Cc1cccc(c1I)NCCC(=O)N 34a_100000761888_100000731001 [0,2,0,0,0,0|2,0,0]=4 10496 B14R1.154 Cc1cccc(c1I)OCCC(=O)N 34a_100010083724_100000731001 [0,2,0,0,0,0|2,0,0]=4 10497 B14R1.154 Cc1cccc(c1I)OCCC(=O)N 7a_100010083724_100000744528 [0,2,0,0,0,0|2,0,0]=4 10498 B14R1.154 Cc1cccc(c1N)COCC(=O)N 34a_100011215590_100000187820 [0,2,0,0,0,0|2,0,0]=4 10499 B14R1.154 Cc1cccc(c1N)COCC(=O)[O-] 34a_100011215590_100020667443 [0,2,0,0,0,0|1,0,1]=4 10500 B14R1.154 Cc1cccc(c1N)OCCC(=O)N 34a_100000743429_100000731001 [0,2,0,0,0,0|2,0,0]=4 10501 B14R1.154 Cc1cccc(c1N)OCCC(=O)N 7a_100000743429_100000744528 [0,2,0,0,0,0|2,0,0]=4 10502 B14R1.154 Cc1cccc(c1N)SCCC(=O)N 62a_100000744528_100011834072 [0,2,0,0,0,0|2,0,0]=4 10503 B14R1.154 Cc1cccc(c1N)SCCC(=O)N 62a_100011834072_100000744528 [0,2,0,0,0,0|2,0,0]=4 10504 B14R1.154 Cc1cccc(c1O)CNCC(=O)N 34a_100020639391_100000187820 [0,2,0,0,0,0|2,0,0]=4 10505 B14R1.154 Cc1cccc(c1O)CNCC(=O)[O-] 34a_100020639391_100020667443 [0,2,0,0,0,0|1,0,1]=4 10506 B14R1.154 Cc1cccc(c1O)NCCC(=O)N 34a_100000756359_100000731001 [0,2,0,0,0,0|2,0,0]=4 10507 B14R1.154 Cc1cccc(c1O)SCCC(=O)N 62a_100000744528_100009817157 [0,2,0,0,0,0|2,0,0]=4 10508 B14R1.154 Cc1cccc(c1O)SCCC(=O)N 62a_100009817157_100000744528 [0,2,0,0,0,0|2,0,0]=4 10509 B14R1.154 NC(=O)CCNc1cccc(c1Br)Cl 34a_100000687072_100000731001 [0,2,0,0,0,0|2,0,0]=4 10510 B14R1.154 NC(=O)CCNc1cccc(c1Br)F 34a_100011934729_100000731001 [0,2,0,0,0,0|2,0,0]=4 10511 B14R1.154 NC(=O)CCNc1cccc(c1Br)O 34a_100012183704_100000731001 [0,2,0,0,0,0|2,0,0]=4 10512 B14R1.154 NC(=O)CCNc1cccc(c1Br)O 7a_100012183704_100000744528 [0,2,0,0,0,0|2,0,0]=4 10513 B14R1.154 NC(=O)CCNc1cccc(c1Cl)Br 34a_100000687075_100000731001 [0,2,0,0,0,0|2,0,0]=4 10514 B14R1.154 NC(=O)CCNc1cccc(c1Cl)Cl 34a_100000185733_100000731001 [0,2,0,0,0,0|2,0,0]=4 10515 B14R1.154 NC(=O)CCNc1cccc(c1Cl)F 34a_100000692321_100000731001 [0,2,0,0,0,0|2,0,0]=4 10516 B14R1.154 NC(=O)CCNc1cccc(c1Cl)O 34a_100012002038_100000731001 [0,2,0,0,0,0|2,0,0]=4 10517 B14R1.154 NC(=O)CCNc1cccc(c1Cl)O 7a_100012002038_100000744528 [0,2,0,0,0,0|2,0,0]=4 10518 B14R1.154 NC(=O)CCNc1cccc(c1F)Br 2230a_100011935091_100000744528 [0,2,0,0,0,0|2,0,0]=4 10519 B14R1.154 NC(=O)CCNc1cccc(c1F)Br 34a_100011935091_100000731001 [0,2,0,0,0,0|2,0,0]=4 10520 B14R1.154 NC(=O)CCNc1cccc(c1F)Cl 2230a_100000199060_100000744528 [0,2,0,0,0,0|2,0,0]=4 10521 B14R1.154 NC(=O)CCNc1cccc(c1F)Cl 34a_100000199060_100000731001 [0,2,0,0,0,0|2,0,0]=4 10522 B14R1.154 NC(=O)CCNc1cccc(c1F)F 34a_100000743855_100000731001 [0,2,0,0,0,0|2,0,0]=4 10523 B14R1.154 NC(=O)CCNc1cccc(c1I)Br 34a_100020590159_100000731001 [0,2,0,0,0,0|2,0,0]=4 10524 B14R1.154 NC(=O)CCNc1cccc(c1I)Cl 34a_100000049713_100000731001 [0,2,0,0,0,0|2,0,0]=4 10525 B14R1.154 NC(=O)CCNc1cccc(c1I)F 34a_100000690935_100000731001 [0,2,0,0,0,0|2,0,0]=4 10526 B14R1.154 NC(=O)CCNc1cccc(c1O)Br 34a_100011934915_100000731001 [0,2,0,0,0,0|2,0,0]=4 10527 B14R1.154 NC(=O)CCNc1cccc(c1O)Cl 34a_100000754742_100000731001 [0,2,0,0,0,0|2,0,0]=4 10528 B14R1.154 NC(=O)CCNc1cccc(c1O)F 34a_100011934987_100000731001 [0,2,0,0,0,0|2,0,0]=4 10529 B14R1.154 NC(=O)CCOc1cccc(c1Br)Br 34a_100010187966_100000731001 [0,2,0,0,0,0|2,0,0]=4 10530 B14R1.154 NC(=O)CCOc1cccc(c1Br)Br 7a_100010187966_100000744528 [0,2,0,0,0,0|2,0,0]=4 10531 B14R1.154 NC(=O)CCOc1cccc(c1Br)Cl 34a_100012348804_100000731001 [0,2,0,0,0,0|2,0,0]=4 10532 B14R1.154 NC(=O)CCOc1cccc(c1Br)Cl 7a_100012348804_100000744528 [0,2,0,0,0,0|2,0,0]=4 10533 B14R1.154 NC(=O)CCOc1cccc(c1Br)F 34a_100009820682_100000731001 [0,2,0,0,0,0|2,0,0]=4 10534 B14R1.154 NC(=O)CCOc1cccc(c1Br)F 7a_100009820682_100000744528 [0,2,0,0,0,0|2,0,0]=4 10535 B14R1.154 NC(=O)CCOc1cccc(c1Br)I 34a_100010187914_100000731001 [0,2,0,0,0,0|2,0,0]=4 10536 B14R1.154 NC(=O)CCOc1cccc(c1Br)I 7a_100010187914_100000744528 [0,2,0,0,0,0|2,0,0]=4 10537 B14R1.154 NC(=O)CCOc1cccc(c1Br)N 34a_100012183704_100000731001 [0,2,0,0,0,0|2,0,0]=4 10538 B14R1.154 NC(=O)CCOc1cccc(c1Br)N 7a_100012183704_100000744528 [0,2,0,0,0,0|2,0,0]=4 10539 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Br 34a_100010187913_100000731001 [0,2,0,0,0,0|2,0,0]=4 10540 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Br 7a_100010187913_100000744528 [0,2,0,0,0,0|2,0,0]=4 10541 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Cl 34a_100000211076_100000731001 [0,2,0,0,0,0|2,0,0]=4 10542 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Cl 7a_100000211076_100000744528 [0,2,0,0,0,0|2,0,0]=4 10543 B14R1.154 NC(=O)CCOc1cccc(c1Cl)F 34a_100000087408_100000731001 [0,2,0,0,0,0|2,0,0]=4 10544 B14R1.154 NC(=O)CCOc1cccc(c1Cl)F 7a_100000087408_100000744528 [0,2,0,0,0,0|2,0,0]=4 10545 B14R1.154 NC(=O)CCOc1cccc(c1Cl)I 34a_100000049636_100000731001 [0,2,0,0,0,0|2,0,0]=4 10546 B14R1.154 NC(=O)CCOc1cccc(c1Cl)I 7a_100000049636_100000744528 [0,2,0,0,0,0|2,0,0]=4 10547 B14R1.154 NC(=O)CCOc1cccc(c1Cl)N 34a_100012002038_100000731001 [0,2,0,0,0,0|2,0,0]=4 10548 B14R1.154 NC(=O)CCOc1cccc(c1Cl)N 7a_100012002038_100000744528 [0,2,0,0,0,0|2,0,0]=4 10549 B14R1.154 NC(=O)CCOc1cccc(c1F)Br 34a_100009817021_100000731001 [0,2,0,0,0,0|2,0,0]=4 10550 B14R1.154 NC(=O)CCOc1cccc(c1F)Br 7a_100009817021_100000744528 [0,2,0,0,0,0|2,0,0]=4 10551 B14R1.154 NC(=O)CCOc1cccc(c1F)Cl 34a_100000687438_100000731001 [0,2,0,0,0,0|2,0,0]=4 10552 B14R1.154 NC(=O)CCOc1cccc(c1F)Cl 7a_100000687438_100000744528 [0,2,0,0,0,0|2,0,0]=4 10553 B14R1.154 NC(=O)CCOc1cccc(c1F)F 34a_100000751161_100000731001 [0,2,0,0,0,0|2,0,0]=4 10554 B14R1.154 NC(=O)CCOc1cccc(c1F)F 7a_100000751161_100000744528 [0,2,0,0,0,0|2,0,0]=4 10555 B14R1.154 NC(=O)CCOc1cccc(c1I)Br 34a_100010187912_100000731001 [0,2,0,0,0,0|2,0,0]=4 10556 B14R1.154 NC(=O)CCOc1cccc(c1I)Br 7a_100010187912_100000744528 [0,2,0,0,0,0|2,0,0]=4 10557 B14R1.154 NC(=O)CCOc1cccc(c1I)Cl 34a_100000050174_100000731001 [0,2,0,0,0,0|2,0,0]=4 10558 B14R1.154 NC(=O)CCOc1cccc(c1I)Cl 7a_100000050174_100000744528 [0,2,0,0,0,0|2,0,0]=4 10559 B14R1.154 NC(=O)CCOc1cccc(c1I)F 34a_100000690913_100000731001 [0,2,0,0,0,0|2,0,0]=4 10560 B14R1.154 NC(=O)CCOc1cccc(c1I)F 7a_100000690913_100000744528 [0,2,0,0,0,0|2,0,0]=4 10561 B14R1.154 NC(=O)CCOc1cccc(c1N)Br 34a_100011934926_100000731001 [0,2,0,0,0,0|2,0,0]=4 10562 B14R1.154 NC(=O)CCOc1cccc(c1N)Br 7a_100011934926_100000744528 [0,2,0,0,0,0|2,0,0]=4 10563 B14R1.154 NC(=O)CCOc1cccc(c1N)Cl 34a_100012022510_100000731001 [0,2,0,0,0,0|2,0,0]=4 10564 B14R1.154 NC(=O)CCOc1cccc(c1N)Cl 7a_100012022510_100000744528 [0,2,0,0,0,0|2,0,0]=4 10565 B14R1.154 NC(=O)CCOc1cccc(c1N)F 34a_100020591140_100000731001 [0,2,0,0,0,0|2,0,0]=4 10566 B14R1.154 NC(=O)CCOc1cccc(c1N)F 7a_100020591140_100000744528 [0,2,0,0,0,0|2,0,0]=4 10567 B14R1.154 NC(=O)CCOc1cccc(c1N)I 34a_200000049512_100000731001 [0,2,0,0,0,0|2,0,0]=4 10568 B14R1.154 NC(=O)CCOc1cccc(c1N)I 7a_200000049512_100000744528 [0,2,0,0,0,0|2,0,0]=4 10569 B14R1.154 NC(=O)CCOc1cccc(c1N)N 34a_100000033209_100000731001 [0,2,0,0,0,0|2,0,0]=4 10570 B14R1.154 NC(=O)CCSc1cccc(c1Br)Br 62a_100000744528_100010175083 [0,2,0,0,0,0|2,0,0]=4 10571 B14R1.154 NC(=O)CCSc1cccc(c1Br)Br 62a_100010175083_100000744528 [0,2,0,0,0,0|2,0,0]=4 10572 B14R1.154 NC(=O)CCSc1cccc(c1Br)Cl 62a_100000744528_100014021842 [0,2,0,0,0,0|2,0,0]=4 10573 B14R1.154 NC(=O)CCSc1cccc(c1Br)Cl 62a_100014021842_100000744528 [0,2,0,0,0,0|2,0,0]=4 10574 B14R1.154 NC(=O)CCSc1cccc(c1Br)F 62a_100000744528_100010202630 [0,2,0,0,0,0|2,0,0]=4 10575 B14R1.154 NC(=O)CCSc1cccc(c1Br)F 62a_100010202630_100000744528 [0,2,0,0,0,0|2,0,0]=4 10576 B14R1.154 NC(=O)CCSc1cccc(c1Br)O 62a_100000744528_100010187914 [0,2,0,0,0,0|2,0,0]=4 10577 B14R1.154 NC(=O)CCSc1cccc(c1Br)O 62a_100010187914_100000744528 [0,2,0,0,0,0|2,0,0]=4 10578 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Br 62a_100000744528_100010142854 [0,2,0,0,0,0|2,0,0]=4 10579 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Br 62a_100010142854_100000744528 [0,2,0,0,0,0|2,0,0]=4 10580 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Cl 62a_100000744528_100011215384 [0,2,0,0,0,0|2,0,0]=4 10581 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Cl 62a_100011215384_100000744528 [0,2,0,0,0,0|2,0,0]=4 10582 B14R1.154 NC(=O)CCSc1cccc(c1Cl)F 62a_100000744528_200010234923 [0,2,0,0,0,0|2,0,0]=4 10583 B14R1.154 NC(=O)CCSc1cccc(c1Cl)F 62a_200010234923_100000744528 [0,2,0,0,0,0|2,0,0]=4 10584 B14R1.154 NC(=O)CCSc1cccc(c1Cl)O 62a_100000744528_100000049636 [0,2,0,0,0,0|2,0,0]=4 10585 B14R1.154 NC(=O)CCSc1cccc(c1F)Br 62a_100000702267_100000744528 [0,2,0,0,0,0|2,0,0]=4 10586 B14R1.154 NC(=O)CCSc1cccc(c1F)Br 62a_100000744528_100000702267 [0,2,0,0,0,0|2,0,0]=4 10587 B14R1.154 NC(=O)CCSc1cccc(c1F)Cl 62a_100000744528_100011217346 [0,2,0,0,0,0|2,0,0]=4 10588 B14R1.154 NC(=O)CCSc1cccc(c1F)Cl 62a_100011217346_100000744528 [0,2,0,0,0,0|2,0,0]=4 10589 B14R1.154 NC(=O)CCSc1cccc(c1F)F 62a_100000694657_100000744528 [0,2,0,0,0,0|2,0,0]=4 10590 B14R1.154 NC(=O)CCSc1cccc(c1F)F 62a_100000744528_100000694657 [0,2,0,0,0,0|2,0,0]=4 10591 B14R1.154 NC(=O)CCSc1cccc(c1F)N 62a_100000744528_100011935091 [0,2,0,0,0,0|2,0,0]=4 10592 B14R1.154 NC(=O)CCSc1cccc(c1F)N 62a_100011935091_100000744528 [0,2,0,0,0,0|2,0,0]=4 10593 B14R1.154 NC(=O)CCSc1cccc(c1F)O 62a_100000744528_100009817021 [0,2,0,0,0,0|2,0,0]=4 10594 B14R1.154 NC(=O)CCSc1cccc(c1F)O 62a_100009817021_100000744528 [0,2,0,0,0,0|2,0,0]=4 10595 B14R1.154 NC(=O)CCSc1cccc(c1N)Br 62a_100000744528_100010146558 [0,2,0,0,0,0|2,0,0]=4 10596 B14R1.154 NC(=O)CCSc1cccc(c1N)Br 62a_100010146558_100000744528 [0,2,0,0,0,0|2,0,0]=4 10597 B14R1.154 NC(=O)CCSc1cccc(c1N)Cl 62a_100000744528_100010190421 [0,2,0,0,0,0|2,0,0]=4 10598 B14R1.154 NC(=O)CCSc1cccc(c1N)Cl 62a_100010190421_100000744528 [0,2,0,0,0,0|2,0,0]=4 10599 B14R1.154 NC(=O)CCSc1cccc(c1N)F 62a_100000042321_100000744528 [0,2,0,0,0,0|2,0,0]=4 10600 B14R1.154 NC(=O)CCSc1cccc(c1N)F 62a_100000744528_100000042321 [0,2,0,0,0,0|2,0,0]=4 10601 B14R1.154 NC(=O)CCSc1cccc(c1N)N 62a_100015191791_100000744528 [0,2,0,0,0,0|2,0,0]=4 10602 B14R1.154 NC(=O)CCSc1cccc(c1N)O 62a_100000744528_100011934926 [0,2,0,0,0,0|2,0,0]=4 10603 B14R1.154 NC(=O)CCSc1cccc(c1O)Br 62a_100000744528_100010084509 [0,2,0,0,0,0|2,0,0]=4 10604 B14R1.154 NC(=O)CCSc1cccc(c1O)Br 62a_100010084509_100000744528 [0,2,0,0,0,0|2,0,0]=4 10605 B14R1.154 NC(=O)CCSc1cccc(c1O)Cl 62a_100000744528_100010202889 [0,2,0,0,0,0|2,0,0]=4 10606 B14R1.154 NC(=O)CCSc1cccc(c1O)Cl 62a_100010202889_100000744528 [0,2,0,0,0,0|2,0,0]=4 10607 B14R1.154 NC(=O)CCSc1cccc(c1O)F 62a_100000744528_100009813666 [0,2,0,0,0,0|2,0,0]=4 10608 B14R1.154 NC(=O)CCSc1cccc(c1O)F 62a_100009813666_100000744528 [0,2,0,0,0,0|2,0,0]=4 10609 B14R1.154 NC(=O)CCSc1cccc(c1O)N 62a_100000744528_100010084371 [0,2,0,0,0,0|2,0,0]=4 10610 B14R1.154 NC(=O)CCSc1cccc(c1O)N 62a_100011934915_100000744528 [0,2,0,0,0,0|2,0,0]=4 10611 B14R1.154 NC(=O)CCSc1cccc(c1O)O 62a_100000744528_100009815950 [0,2,0,0,0,0|2,0,0]=4 10612 B14R1.154 NC(=O)CNCc1cccc(c1Br)Cl 2230a_100000711301_100010145525 [0,2,0,0,0,0|2,0,0]=4 10613 B14R1.154 NC(=O)CNCc1cccc(c1Br)F 2230a_100000711301_100012351116 [0,2,0,0,0,0|2,0,0]=4 10614 B14R1.154 NC(=O)CNCc1cccc(c1Br)F 2230a_100020638964_100000747473 [0,2,0,0,0,0|2,0,0]=4 10615 B14R1.154 NC(=O)CNCc1cccc(c1Br)F 34a_100020638964_100000187820 [0,2,0,0,0,0|2,0,0]=4 10616 B14R1.154 NC(=O)CNCc1cccc(c1Br)I 2230a_100000711301_100010254545 [0,2,0,0,0,0|2,0,0]=4 10617 B14R1.154 NC(=O)CNCc1cccc(c1Cl)Br 2230a_100000711301_100012349491 [0,2,0,0,0,0|2,0,0]=4 10618 B14R1.154 NC(=O)CNCc1cccc(c1Cl)Cl 2230a_100000711301_100000723366 [0,2,0,0,0,0|2,0,0]=4 10619 B14R1.154 NC(=O)CNCc1cccc(c1Cl)Cl 2230a_100011211633_100000747473 [0,2,0,0,0,0|2,0,0]=4 10620 B14R1.154 NC(=O)CNCc1cccc(c1Cl)Cl 34a_100011211633_100000187820 [0,2,0,0,0,0|2,0,0]=4 10621 B14R1.154 NC(=O)CNCc1cccc(c1Cl)F 2230a_100000711301_100000696688 [0,2,0,0,0,0|2,0,0]=4 10622 B14R1.154 NC(=O)CNCc1cccc(c1Cl)F 2230a_100012001614_100000747473 [0,2,0,0,0,0|2,0,0]=4 10623 B14R1.154 NC(=O)CNCc1cccc(c1Cl)F 34a_100012001614_100000187820 [0,2,0,0,0,0|2,0,0]=4 10624 B14R1.154 NC(=O)CNCc1cccc(c1F)Br 2230a_100000711301_100012356506 [0,2,0,0,0,0|2,0,0]=4 10625 B14R1.154 NC(=O)CNCc1cccc(c1F)Br 2230a_100015189953_100000747473 [0,2,0,0,0,0|2,0,0]=4 10626 B14R1.154 NC(=O)CNCc1cccc(c1F)Br 34a_100015189953_100000187820 [0,2,0,0,0,0|2,0,0]=4 10627 B14R1.154 NC(=O)CNCc1cccc(c1F)Cl 2230a_100000711301_100000716733 [0,2,0,0,0,0|2,0,0]=4 10628 B14R1.154 NC(=O)CNCc1cccc(c1F)Cl 2230a_100000764326_100000747473 [0,2,0,0,0,0|2,0,0]=4 10629 B14R1.154 NC(=O)CNCc1cccc(c1F)Cl 34a_100000764326_100000187820 [0,2,0,0,0,0|2,0,0]=4 10630 B14R1.154 NC(=O)CNCc1cccc(c1F)F 2230a_100000711301_100000217499 [0,2,0,0,0,0|2,0,0]=4 10631 B14R1.154 NC(=O)CNCc1cccc(c1F)F 2230a_100011199105_100000747473 [0,2,0,0,0,0|2,0,0]=4 10632 B14R1.154 NC(=O)CNCc1cccc(c1F)F 34a_100011199105_100000187820 [0,2,0,0,0,0|2,0,0]=4 10633 B14R1.154 NC(=O)CNCc1cccc(c1F)O 34a_100025773512_100000187820 [0,2,0,0,0,0|2,0,0]=4 10634 B14R1.154 NC(=O)CNCc1cccc(c1I)F 2230a_100000711301_100010149603 [0,2,0,0,0,0|2,0,0]=4 10635 B14R1.154 NC(=O)COCc1cccc(c1Br)Cl 34a_100010168166_100000187820 [0,2,0,0,0,0|2,0,0]=4 10636 B14R1.154 NC(=O)COCc1cccc(c1Br)Cl 7a_100010168166_100000187820 [0,2,0,0,0,0|2,0,0]=4 10637 B14R1.154 NC(=O)COCc1cccc(c1Br)F 34a_100012351117_100000187820 [0,2,0,0,0,0|2,0,0]=4 10638 B14R1.154 NC(=O)COCc1cccc(c1Br)F 7a_100012351117_100000187820 [0,2,0,0,0,0|2,0,0]=4 10639 B14R1.154 NC(=O)COCc1cccc(c1Br)I 34a_100010240205_100000187820 [0,2,0,0,0,0|2,0,0]=4 10640 B14R1.154 NC(=O)COCc1cccc(c1Br)I 7a_100010240205_100000187820 [0,2,0,0,0,0|2,0,0]=4 10641 B14R1.154 NC(=O)COCc1cccc(c1Cl)Br 34a_100012351182_100000187820 [0,2,0,0,0,0|2,0,0]=4 10642 B14R1.154 NC(=O)COCc1cccc(c1Cl)Br 7a_100012351182_100000187820 [0,2,0,0,0,0|2,0,0]=4 10643 B14R1.154 NC(=O)COCc1cccc(c1Cl)Cl 34a_100000720469_100000187820 [0,2,0,0,0,0|2,0,0]=4 10644 B14R1.154 NC(=O)COCc1cccc(c1Cl)Cl 7a_100000720469_100000187820 [0,2,0,0,0,0|2,0,0]=4 10645 B14R1.154 NC(=O)COCc1cccc(c1Cl)F 34a_100000696319_100000187820 [0,2,0,0,0,0|2,0,0]=4 10646 B14R1.154 NC(=O)COCc1cccc(c1Cl)F 7a_100000696319_100000187820 [0,2,0,0,0,0|2,0,0]=4 10647 B14R1.154 NC(=O)COCc1cccc(c1F)Br 34a_100011935076_100000187820 [0,2,0,0,0,0|2,0,0]=4 10648 B14R1.154 NC(=O)COCc1cccc(c1F)Br 7a_100011935076_100000187820 [0,2,0,0,0,0|2,0,0]=4 10649 B14R1.154 NC(=O)COCc1cccc(c1F)Cl 34a_100011216988_100000187820 [0,2,0,0,0,0|2,0,0]=4 10650 B14R1.154 NC(=O)COCc1cccc(c1F)Cl 7a_100011216988_100000187820 [0,2,0,0,0,0|2,0,0]=4 10651 B14R1.154 NC(=O)COCc1cccc(c1F)F 34a_100011218644_100000187820 [0,2,0,0,0,0|2,0,0]=4 10652 B14R1.154 NC(=O)COCc1cccc(c1F)F 7a_100011218644_100000187820 [0,2,0,0,0,0|2,0,0]=4 10653 B14R1.154 NC(=O)COCc1cccc(c1F)I 34a_200010235739_100000187820 [0,2,0,0,0,0|2,0,0]=4 10654 B14R1.154 NC(=O)COCc1cccc(c1F)I 7a_200010235739_100000187820 [0,2,0,0,0,0|2,0,0]=4 10655 B14R1.154 NC(=O)COCc1cccc(c1F)N 34a_100012023829_100000187820 [0,2,0,0,0,0|2,0,0]=4 10656 B14R1.154 NC(=O)COCc1cccc(c1I)Br 34a_100010146604_100000187820 [0,2,0,0,0,0|2,0,0]=4 10657 B14R1.154 NC(=O)COCc1cccc(c1I)Br 7a_100010146604_100000187820 [0,2,0,0,0,0|2,0,0]=4 10658 B14R1.154 NC(=O)COCc1cccc(c1I)F 34a_100000692438_100000187820 [0,2,0,0,0,0|2,0,0]=4 10659 B14R1.154 NC(=O)COCc1cccc(c1I)F 7a_100000692438_100000187820 [0,2,0,0,0,0|2,0,0]=4 10660 B14R1.154 NC(=O)COCc1cccc(c1N)Br 34a_100012349457_100000187820 [0,2,0,0,0,0|2,0,0]=4 10661 B14R1.154 NC(=O)COCc1cccc(c1N)Cl 34a_100012182729_100000187820 [0,2,0,0,0,0|2,0,0]=4 10662 B14R1.154 NC(=O)COCc1cccc(c1N)F 34a_100000692437_100000187820 [0,2,0,0,0,0|2,0,0]=4 10663 B14R1.154 NC(=O)CSCc1cccc(c1Br)Cl 62a_100000747473_100010145525 [0,2,0,0,0,0|2,0,0]=4 10664 B14R1.154 NC(=O)CSCc1cccc(c1Br)Cl 62a_100010145525_100000747473 [0,2,0,0,0,0|2,0,0]=4 10665 B14R1.154 NC(=O)CSCc1cccc(c1Br)F 62a_100000747473_100012351116 [0,2,0,0,0,0|2,0,0]=4 10666 B14R1.154 NC(=O)CSCc1cccc(c1Br)F 62a_100012351116_100000747473 [0,2,0,0,0,0|2,0,0]=4 10667 B14R1.154 NC(=O)CSCc1cccc(c1Br)I 62a_100000747473_100010254545 [0,2,0,0,0,0|2,0,0]=4 10668 B14R1.154 NC(=O)CSCc1cccc(c1Br)I 62a_100010254545_100000747473 [0,2,0,0,0,0|2,0,0]=4 10669 B14R1.154 NC(=O)CSCc1cccc(c1Cl)Br 62a_100000747473_100012349491 [0,2,0,0,0,0|2,0,0]=4 10670 B14R1.154 NC(=O)CSCc1cccc(c1Cl)Br 62a_100012349491_100000747473 [0,2,0,0,0,0|2,0,0]=4 10671 B14R1.154 NC(=O)CSCc1cccc(c1Cl)Cl 62a_100000720918_100000747473 [0,2,0,0,0,0|2,0,0]=4 10672 B14R1.154 NC(=O)CSCc1cccc(c1Cl)Cl 62a_100000747473_100000723366 [0,2,0,0,0,0|2,0,0]=4 10673 B14R1.154 NC(=O)CSCc1cccc(c1Cl)F 62a_100000696688_100000747473 [0,2,0,0,0,0|2,0,0]=4 10674 B14R1.154 NC(=O)CSCc1cccc(c1Cl)F 62a_100000747473_100000696688 [0,2,0,0,0,0|2,0,0]=4 10675 B14R1.154 NC(=O)CSCc1cccc(c1F)Br 62a_100000747473_100012356506 [0,2,0,0,0,0|2,0,0]=4 10676 B14R1.154 NC(=O)CSCc1cccc(c1F)Br 62a_100012356506_100000747473 [0,2,0,0,0,0|2,0,0]=4 10677 B14R1.154 NC(=O)CSCc1cccc(c1F)Cl 62a_100000716733_100000747473 [0,2,0,0,0,0|2,0,0]=4 10678 B14R1.154 NC(=O)CSCc1cccc(c1F)Cl 62a_100000747473_100000716733 [0,2,0,0,0,0|2,0,0]=4 10679 B14R1.154 NC(=O)CSCc1cccc(c1F)F 62a_100000217499_100000747473 [0,2,0,0,0,0|2,0,0]=4 10680 B14R1.154 NC(=O)CSCc1cccc(c1F)F 62a_100000747473_100000217499 [0,2,0,0,0,0|2,0,0]=4 10681 B14R1.154 NC(=O)CSCc1cccc(c1I)F 62a_100000747473_100010149603 [0,2,0,0,0,0|2,0,0]=4 10682 B14R1.154 NC(=O)CSCc1cccc(c1I)F 62a_100010149603_100000747473 [0,2,0,0,0,0|2,0,0]=4 10683 B14R1.154 Nc1c(cccc1COCC(=O)[O-])Br 34a_100012349457_100020667443 [0,2,0,0,0,0|1,0,1]=4 10684 B14R1.154 Nc1c(cccc1COCC(=O)[O-])Cl 34a_100012182729_100020667443 [0,2,0,0,0,0|1,0,1]=4 10685 B14R1.154 Nc1c(cccc1COCC(=O)[O-])F 34a_100000692437_100020667443 [0,2,0,0,0,0|1,0,1]=4 10686 B14R1.154 Nc1cccc(c1F)COCC(=O)[O-] 34a_100012023829_100020667443 [0,2,0,0,0,0|1,0,1]=4 10687 B14R1.154 O=C(O)CNCc1cccc(c1Br)Cl 269956a_100016091260_100010145525 [0,2,0,0,0,0|1,0,0]=3 10688 B14R1.154 O=C(O)CNCc1cccc(c1Br)F 269956a_100016091260_100012351116 [0,2,0,0,0,0|1,0,0]=3 10689 B14R1.154 O=C(O)CNCc1cccc(c1Br)I 269956a_100016091260_100010254545 [0,2,0,0,0,0|1,0,0]=3 10690 B14R1.154 O=C(O)CNCc1cccc(c1Cl)Br 269956a_100016091260_100012349491 [0,2,0,0,0,0|1,0,0]=3 10691 B14R1.154 O=C(O)CNCc1cccc(c1Cl)Cl 269956a_100016091260_100000720918 [0,2,0,0,0,0|1,0,0]=3 10692 B14R1.154 O=C(O)CNCc1cccc(c1Cl)F 269956a_100016091260_100000696688 [0,2,0,0,0,0|1,0,0]=3 10693 B14R1.154 O=C(O)CNCc1cccc(c1F)Br 269956a_100016091260_100012356506 [0,2,0,0,0,0|1,0,0]=3 10694 B14R1.154 O=C(O)CNCc1cccc(c1F)Cl 269956a_100016091260_100000716733 [0,2,0,0,0,0|1,0,0]=3 10695 B14R1.154 O=C(O)CNCc1cccc(c1F)F 269956a_100016091260_100000217499 [0,2,0,0,0,0|1,0,0]=3 10696 B14R1.154 O=C(O)CNCc1cccc(c1I)F 269956a_100016091260_100010149603 [0,2,0,0,0,0|1,0,0]=3 10697 B14R1.154 O=C([O-])CNCc1cccc(c1Br)F 34a_100020638964_100020667443 [0,2,0,0,0,0|1,0,1]=4 10698 B14R1.154 O=C([O-])CNCc1cccc(c1Cl)Cl 34a_100011211633_100020667443 [0,2,0,0,0,0|1,0,1]=4 10699 B14R1.154 O=C([O-])CNCc1cccc(c1Cl)F 34a_100012001614_100020667443 [0,2,0,0,0,0|1,0,1]=4 10700 B14R1.154 O=C([O-])CNCc1cccc(c1F)Br 34a_100015189953_100020667443 [0,2,0,0,0,0|1,0,1]=4 10701 B14R1.154 O=C([O-])CNCc1cccc(c1F)Cl 34a_100000764326_100020667443 [0,2,0,0,0,0|1,0,1]=4 10702 B14R1.154 O=C([O-])CNCc1cccc(c1F)F 34a_100011199105_100020667443 [0,2,0,0,0,0|1,0,1]=4 10703 B14R1.154 O=C([O-])CNCc1cccc(c1F)O 34a_100025773512_100020667443 [0,2,0,0,0,0|1,0,1]=4 10704 B14R1.154 O=C([O-])COCc1cccc(c1Br)Cl 34a_100010168166_100020667443 [0,2,0,0,0,0|1,0,1]=4 10705 B14R1.154 O=C([O-])COCc1cccc(c1Br)F 34a_100012351117_100020667443 [0,2,0,0,0,0|1,0,1]=4 10706 B14R1.154 O=C([O-])COCc1cccc(c1Br)I 34a_100010240205_100020667443 [0,2,0,0,0,0|1,0,1]=4 10707 B14R1.154 O=C([O-])COCc1cccc(c1Cl)Br 34a_100012351182_100020667443 [0,2,0,0,0,0|1,0,1]=4 10708 B14R1.154 O=C([O-])COCc1cccc(c1Cl)Cl 34a_100000720469_100020667443 [0,2,0,0,0,0|1,0,1]=4 10709 B14R1.154 O=C([O-])COCc1cccc(c1Cl)F 34a_100000696319_100020667443 [0,2,0,0,0,0|1,0,1]=4 10710 B14R1.154 O=C([O-])COCc1cccc(c1F)Br 34a_100011935076_100020667443 [0,2,0,0,0,0|1,0,1]=4 10711 B14R1.154 O=C([O-])COCc1cccc(c1F)Cl 34a_100011216988_100020667443 [0,2,0,0,0,0|1,0,1]=4 10712 B14R1.154 O=C([O-])COCc1cccc(c1F)F 34a_100011218644_100020667443 [0,2,0,0,0,0|1,0,1]=4 10713 B14R1.154 O=C([O-])COCc1cccc(c1F)I 34a_200010235739_100020667443 [0,2,0,0,0,0|1,0,1]=4 10714 B14R1.154 O=C([O-])COCc1cccc(c1I)Br 34a_100010146604_100020667443 [0,2,0,0,0,0|1,0,1]=4 10715 B14R1.154 O=C([O-])COCc1cccc(c1I)F 34a_100000692438_100020667443 [0,2,0,0,0,0|1,0,1]=4 10716 B14R1.154 O=C([O-])CSCc1cccc(c1Br)Cl 62a_100010145525_100020667443 [0,2,0,0,0,0|1,0,1]=4 10717 B14R1.154 O=C([O-])CSCc1cccc(c1Br)Cl 62a_100020667443_100010145525 [0,2,0,0,0,0|1,0,1]=4 10718 B14R1.154 O=C([O-])CSCc1cccc(c1Br)F 62a_100012351116_100020667443 [0,2,0,0,0,0|1,0,1]=4 10719 B14R1.154 O=C([O-])CSCc1cccc(c1Br)F 62a_100020667443_100012351116 [0,2,0,0,0,0|1,0,1]=4 10720 B14R1.154 O=C([O-])CSCc1cccc(c1Br)I 62a_100010254545_100020667443 [0,2,0,0,0,0|1,0,1]=4 10721 B14R1.154 O=C([O-])CSCc1cccc(c1Br)I 62a_100020667443_100010254545 [0,2,0,0,0,0|1,0,1]=4 10722 B14R1.154 O=C([O-])CSCc1cccc(c1Cl)Br 62a_100012349491_100020667443 [0,2,0,0,0,0|1,0,1]=4 10723 B14R1.154 O=C([O-])CSCc1cccc(c1Cl)Br 62a_100020667443_100012349491 [0,2,0,0,0,0|1,0,1]=4 10724 B14R1.154 O=C([O-])CSCc1cccc(c1Cl)Cl 62a_100000720918_100020667443 [0,2,0,0,0,0|1,0,1]=4 10725 B14R1.154 O=C([O-])CSCc1cccc(c1Cl)Cl 62a_100020667443_100000723366 [0,2,0,0,0,0|1,0,1]=4 10726 B14R1.154 O=C([O-])CSCc1cccc(c1Cl)F 62a_100000696688_100020667443 [0,2,0,0,0,0|1,0,1]=4 10727 B14R1.154 O=C([O-])CSCc1cccc(c1Cl)F 62a_100020667443_100000696688 [0,2,0,0,0,0|1,0,1]=4 10728 B14R1.154 O=C([O-])CSCc1cccc(c1F)Br 62a_100012356506_100020667443 [0,2,0,0,0,0|1,0,1]=4 10729 B14R1.154 O=C([O-])CSCc1cccc(c1F)Br 62a_100020667443_100012356506 [0,2,0,0,0,0|1,0,1]=4 10730 B14R1.154 O=C([O-])CSCc1cccc(c1F)Cl 62a_100000716733_100020667443 [0,2,0,0,0,0|1,0,1]=4 10731 B14R1.154 O=C([O-])CSCc1cccc(c1F)Cl 62a_100020667443_100000716733 [0,2,0,0,0,0|1,0,1]=4 10732 B14R1.154 O=C([O-])CSCc1cccc(c1F)F 62a_100000217499_100020667443 [0,2,0,0,0,0|1,0,1]=4 10733 B14R1.154 O=C([O-])CSCc1cccc(c1F)F 62a_100020667443_100000217499 [0,2,0,0,0,0|1,0,1]=4 10734 B14R1.154 O=C([O-])CSCc1cccc(c1I)F 62a_100010149603_100020667443 [0,2,0,0,0,0|1,0,1]=4 10735 B14R1.154 O=C([O-])CSCc1cccc(c1I)F 62a_100020667443_100010149603 [0,2,0,0,0,0|1,0,1]=4 10736 B14R1.154 [13CH3]C(=O)CCOc1cccc(c1Cl)Cl 1458a_100000741501_200025704644 [0,2,0,0,0,0|2,0,0]=4 10737 B14R1.687 CC(=O)CCCc1ccc(c(c1)C)F 1458a_100011998530_200000210301 [0,2,0,0,0,0|1,0,0]=3 10738 B14R1.687 CC(=O)CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000053229 [0,2,0,0,0,0|2,0,0]=4 10739 B14R1.687 CC(=O)CCNc1ccc(c(c1)Br)C 7a_100000736455_100000053229 [0,2,0,0,0,0|2,0,0]=4 10740 B14R1.687 CC(=O)CCNc1ccc(c(c1)Br)F 7a_100000760356_100000053229 [0,2,0,0,0,0|2,0,0]=4 10741 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)Br 7a_100000210723_100000053229 [0,2,0,0,0,0|2,0,0]=4 10742 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)C 7a_100000724040_100000053229 [0,2,0,0,0,0|2,0,0]=4 10743 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000053229 [0,2,0,0,0,0|2,0,0]=4 10744 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)F 7a_100000750164_100000053229 [0,2,0,0,0,0|2,0,0]=4 10745 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)I 7a_100000198070_100000053229 [0,2,0,0,0,0|2,0,0]=4 10746 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)O 7a_100011218179_100000053229 [0,2,0,0,0,0|2,0,0]=4 10747 B14R1.687 CC(=O)CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000053229 [0,2,0,0,0,0|2,0,0]=4 10748 B14R1.687 CC(=O)CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000053229 [0,2,0,0,0,0|2,0,0]=4 10749 B14R1.687 CC(=O)CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000053229 [0,2,0,0,0,0|2,0,0]=4 10750 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)Br 7a_100000759894_100000053229 [0,2,0,0,0,0|2,0,0]=4 10751 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)C 7a_100000210958_100000053229 [0,2,0,0,0,0|2,0,0]=4 10752 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000053229 [0,2,0,0,0,0|2,0,0]=4 10753 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)F 7a_100000210724_100000053229 [0,2,0,0,0,0|2,0,0]=4 10754 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)I 7a_100011356925_100000053229 [0,2,0,0,0,0|2,0,0]=4 10755 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000053229 [0,2,0,0,0,0|2,0,0]=4 10756 B14R1.687 CC(=O)CCNc1ccc(c(c1)I)C 7a_100000184131_100000053229 [0,2,0,0,0,0|2,0,0]=4 10757 B14R1.687 CC(=O)CCNc1ccc(c(c1)I)F 7a_114828291077_100000053229 [0,2,0,0,0,0|2,0,0]=4 10758 B14R1.687 CC(=O)CCNc1ccc(c(c1)O)C 7a_100000759471_100000053229 [0,2,0,0,0,0|2,0,0]=4 10759 B14R1.687 CC(=O)CCNc1ccc(c(c1)O)F 7a_100012017398_100000053229 [0,2,0,0,0,0|2,0,0]=4 10760 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)C 7a_100011380479_100000053229 [0,2,0,0,0,0|2,0,0]=4 10761 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000053229 [0,2,0,0,0,0|2,0,0]=4 10762 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)F 7a_100000693481_100000053229 [0,2,0,0,0,0|2,0,0]=4 10763 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)I 7a_100000701344_100000053229 [0,2,0,0,0,0|2,0,0]=4 10764 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)N 7a_100012001276_100000053229 [0,2,0,0,0,0|2,0,0]=4 10765 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)Br 7a_100000690111_100000053229 [0,2,0,0,0,0|2,0,0]=4 10766 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)C 1458a_100000070787_200011210794 [0,2,0,0,0,0|2,0,0]=4 10767 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)C 7a_100000210932_100000053229 [0,2,0,0,0,0|2,0,0]=4 10768 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000053229 [0,2,0,0,0,0|2,0,0]=4 10769 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)F 7a_100000751312_100000053229 [0,2,0,0,0,0|2,0,0]=4 10770 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)I 7a_100000729255_100000053229 [0,2,0,0,0,0|2,0,0]=4 10771 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)N 7a_100000756630_100000053229 [0,2,0,0,0,0|2,0,0]=4 10772 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000053229 [0,2,0,0,0,0|2,0,0]=4 10773 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000053229 [0,2,0,0,0,0|2,0,0]=4 10774 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000053229 [0,2,0,0,0,0|2,0,0]=4 10775 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)F 1458a_100000070787_100011936913 [0,2,0,0,0,0|2,0,0]=4 10776 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000053229 [0,2,0,0,0,0|2,0,0]=4 10777 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000053229 [0,2,0,0,0,0|2,0,0]=4 10778 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000053229 [0,2,0,0,0,0|2,0,0]=4 10779 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)Br 7a_100000755031_100000053229 [0,2,0,0,0,0|2,0,0]=4 10780 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)C 7a_100000722560_100000053229 [0,2,0,0,0,0|2,0,0]=4 10781 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000053229 [0,2,0,0,0,0|2,0,0]=4 10782 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)F 7a_100000181275_100000053229 [0,2,0,0,0,0|2,0,0]=4 10783 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)I 7a_100009990212_100000053229 [0,2,0,0,0,0|2,0,0]=4 10784 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)N 7a_100000759473_100000053229 [0,2,0,0,0,0|2,0,0]=4 10785 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000053229 [0,2,0,0,0,0|2,0,0]=4 10786 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000053229 [0,2,0,0,0,0|2,0,0]=4 10787 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)N 7a_100010084370_100000053229 [0,2,0,0,0,0|2,0,0]=4 10788 B14R1.687 CC(=O)CCOc1ccc(c(c1)N)Br 7a_100011999798_100000053229 [0,2,0,0,0,0|2,0,0]=4 10789 B14R1.687 CC(=O)CCOc1ccc(c(c1)N)C 7a_100011216113_100000053229 [0,2,0,0,0,0|2,0,0]=4 10790 B14R1.687 CC(=O)CCOc1ccc(c(c1)N)F 7a_100012017239_100000053229 [0,2,0,0,0,0|2,0,0]=4 10791 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Br 62a_100000053229_100012356285 [0,2,0,0,0,0|2,0,0]=4 10792 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000053229 [0,2,0,0,0,0|2,0,0]=4 10793 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)C 62a_100000053229_100011847877 [0,2,0,0,0,0|2,0,0]=4 10794 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)C 62a_100011847877_100000053229 [0,2,0,0,0,0|2,0,0]=4 10795 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100000053229_100012353702 [0,2,0,0,0,0|2,0,0]=4 10796 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000053229 [0,2,0,0,0,0|2,0,0]=4 10797 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)F 62a_100000053229_100012047266 [0,2,0,0,0,0|2,0,0]=4 10798 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)F 62a_100012047266_100000053229 [0,2,0,0,0,0|2,0,0]=4 10799 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)N 62a_100000053229_100000750455 [0,2,0,0,0,0|2,0,0]=4 10800 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)N 62a_100000750455_100000053229 [0,2,0,0,0,0|2,0,0]=4 10801 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100000053229_100012361655 [0,2,0,0,0,0|2,0,0]=4 10802 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000053229 [0,2,0,0,0,0|2,0,0]=4 10803 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Br 62a_100000053229_100009813585 [0,2,0,0,0,0|2,0,0]=4 10804 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Br 62a_100009813585_100000053229 [0,2,0,0,0,0|2,0,0]=4 10805 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)C 1458a_100000189619_200000210301 [0,2,0,0,0,0|2,0,0]=4 10806 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)C 62a_100000053229_100011215607 [0,2,0,0,0,0|2,0,0]=4 10807 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)C 62a_100011215607_100000053229 [0,2,0,0,0,0|2,0,0]=4 10808 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000053229 [0,2,0,0,0,0|2,0,0]=4 10809 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Cl 62a_100000053229_100000049509 [0,2,0,0,0,0|2,0,0]=4 10810 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)F 62a_100000053229_100011218330 [0,2,0,0,0,0|2,0,0]=4 10811 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)F 62a_100011218330_100000053229 [0,2,0,0,0,0|2,0,0]=4 10812 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)N 62a_100000053229_100000211769 [0,2,0,0,0,0|2,0,0]=4 10813 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)N 62a_100000211769_100000053229 [0,2,0,0,0,0|2,0,0]=4 10814 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)O 62a_100000053229_100000186361 [0,2,0,0,0,0|2,0,0]=4 10815 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100000053229_100012047281 [0,2,0,0,0,0|2,0,0]=4 10816 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000053229 [0,2,0,0,0,0|2,0,0]=4 10817 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)C 62a_100000053229_100011216363 [0,2,0,0,0,0|2,0,0]=4 10818 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000053229 [0,2,0,0,0,0|2,0,0]=4 10819 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100000053229_100011214914 [0,2,0,0,0,0|2,0,0]=4 10820 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000053229 [0,2,0,0,0,0|2,0,0]=4 10821 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)F 62a_100000053229_100011215976 [0,2,0,0,0,0|2,0,0]=4 10822 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000053229 [0,2,0,0,0,0|2,0,0]=4 10823 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)N 62a_100000053229_100011218065 [0,2,0,0,0,0|2,0,0]=4 10824 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000053229 [0,2,0,0,0,0|2,0,0]=4 10825 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000053229_100012360047 [0,2,0,0,0,0|2,0,0]=4 10826 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000053229 [0,2,0,0,0,0|2,0,0]=4 10827 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Br 62a_100000053229_100000685389 [0,2,0,0,0,0|2,0,0]=4 10828 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Br 62a_100000685389_100000053229 [0,2,0,0,0,0|2,0,0]=4 10829 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)C 62a_100000053229_100000720648 [0,2,0,0,0,0|2,0,0]=4 10830 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)C 62a_100000720648_100000053229 [0,2,0,0,0,0|2,0,0]=4 10831 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Cl 62a_100000053229_100011216805 [0,2,0,0,0,0|2,0,0]=4 10832 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000053229 [0,2,0,0,0,0|2,0,0]=4 10833 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)F 62a_100000053229_100000703953 [0,2,0,0,0,0|2,0,0]=4 10834 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)F 62a_100000703953_100000053229 [0,2,0,0,0,0|2,0,0]=4 10835 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)N 62a_100000053229_100011215594 [0,2,0,0,0,0|2,0,0]=4 10836 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)N 62a_100011215594_100000053229 [0,2,0,0,0,0|2,0,0]=4 10837 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000053229_100000185481 [0,2,0,0,0,0|2,0,0]=4 10838 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000053229 [0,2,0,0,0,0|2,0,0]=4 10839 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Br 62a_100000053229_100000750456 [0,2,0,0,0,0|2,0,0]=4 10840 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Br 62a_100000750456_100000053229 [0,2,0,0,0,0|2,0,0]=4 10841 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)C 62a_100000053229_100000761890 [0,2,0,0,0,0|2,0,0]=4 10842 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)C 62a_100000761890_100000053229 [0,2,0,0,0,0|2,0,0]=4 10843 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Cl 62a_100000053229_200000761891 [0,2,0,0,0,0|2,0,0]=4 10844 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000053229 [0,2,0,0,0,0|2,0,0]=4 10845 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)F 62a_100000053229_100000740924 [0,2,0,0,0,0|2,0,0]=4 10846 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)F 62a_100000740924_100000053229 [0,2,0,0,0,0|2,0,0]=4 10847 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)N 62a_100000053229_100011534411 [0,2,0,0,0,0|2,0,0]=4 10848 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)N 62a_100000741789_100000053229 [0,2,0,0,0,0|2,0,0]=4 10849 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000053229_100000752626 [0,2,0,0,0,0|2,0,0]=4 10850 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000053229 [0,2,0,0,0,0|2,0,0]=4 10851 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Br 62a_100000053229_100012356990 [0,2,0,0,0,0|2,0,0]=4 10852 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000053229 [0,2,0,0,0,0|2,0,0]=4 10853 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)C 62a_100000053229_100000685420 [0,2,0,0,0,0|2,0,0]=4 10854 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)C 62a_100000685420_100000053229 [0,2,0,0,0,0|2,0,0]=4 10855 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Cl 62a_100000053229_100011356854 [0,2,0,0,0,0|2,0,0]=4 10856 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000053229 [0,2,0,0,0,0|2,0,0]=4 10857 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)F 62a_100000053229_100000686035 [0,2,0,0,0,0|2,0,0]=4 10858 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)F 62a_100000686035_100000053229 [0,2,0,0,0,0|2,0,0]=4 10859 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)N 62a_100000053229_100000739049 [0,2,0,0,0,0|2,0,0]=4 10860 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)N 62a_100000739049_100000053229 [0,2,0,0,0,0|2,0,0]=4 10861 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)O 62a_100000053229_100009813601 [0,2,0,0,0,0|2,0,0]=4 10862 B14R1.687 CC(=O)COCc1ccc(c(c1)Br)Br 34a_100000211253_100012353900 [0,2,0,0,0,0|2,0,0]=4 10863 B14R1.687 CC(=O)COCc1ccc(c(c1)Br)C 34a_100000211253_100012232412 [0,2,0,0,0,0|2,0,0]=4 10864 B14R1.687 CC(=O)COCc1ccc(c(c1)Br)Cl 34a_100000211253_100012353894 [0,2,0,0,0,0|2,0,0]=4 10865 B14R1.687 CC(=O)COCc1ccc(c(c1)Br)F 34a_100000211253_100011206884 [0,2,0,0,0,0|2,0,0]=4 10866 B14R1.687 CC(=O)COCc1ccc(c(c1)C)Br 34a_100000211253_100000727479 [0,2,0,0,0,0|2,0,0]=4 10867 B14R1.687 CC(=O)COCc1ccc(c(c1)C)C 34a_100000211253_100000742320 [0,2,0,0,0,0|2,0,0]=4 10868 B14R1.687 CC(=O)COCc1ccc(c(c1)C)Cl 34a_100000211253_100012184735 [0,2,0,0,0,0|2,0,0]=4 10869 B14R1.687 CC(=O)COCc1ccc(c(c1)C)F 34a_100000211253_100011216667 [0,2,0,0,0,0|2,0,0]=4 10870 B14R1.687 CC(=O)COCc1ccc(c(c1)Cl)Br 34a_100000211253_100012353895 [0,2,0,0,0,0|2,0,0]=4 10871 B14R1.687 CC(=O)COCc1ccc(c(c1)Cl)C 34a_100000211253_100011823929 [0,2,0,0,0,0|2,0,0]=4 10872 B14R1.687 CC(=O)COCc1ccc(c(c1)Cl)Cl 1458a_200012339786_200000210301 [0,2,0,0,0,0|2,0,0]=4 10873 B14R1.687 CC(=O)COCc1ccc(c(c1)Cl)Cl 34a_100000211253_100000184707 [0,2,0,0,0,0|2,0,0]=4 10874 B14R1.687 CC(=O)COCc1ccc(c(c1)Cl)F 34a_100000211253_100011934319 [0,2,0,0,0,0|2,0,0]=4 10875 B14R1.687 CC(=O)COCc1ccc(c(c1)Cl)I 34a_100000211253_100012349665 [0,2,0,0,0,0|2,0,0]=4 10876 B14R1.687 CC(=O)COCc1ccc(c(c1)F)Br 34a_100000211253_100000767054 [0,2,0,0,0,0|2,0,0]=4 10877 B14R1.687 CC(=O)COCc1ccc(c(c1)F)C 34a_100000211253_100011217369 [0,2,0,0,0,0|2,0,0]=4 10878 B14R1.687 CC(=O)COCc1ccc(c(c1)F)Cl 34a_100000211253_100011519011 [0,2,0,0,0,0|2,0,0]=4 10879 B14R1.687 CC(=O)COCc1ccc(c(c1)F)F 34a_100000211253_100000757363 [0,2,0,0,0,0|2,0,0]=4 10880 B14R1.687 CC(=O)COCc1ccc(c(c1)F)I 34a_100000211253_100010149604 [0,2,0,0,0,0|2,0,0]=4 10881 B14R1.687 CC(=O)COCc1ccc(c(c1)I)Br 34a_100000211253_100010146616 [0,2,0,0,0,0|2,0,0]=4 10882 B14R1.687 CC(=O)COCc1ccc(c(c1)I)C 34a_100000211253_100010206137 [0,2,0,0,0,0|2,0,0]=4 10883 B14R1.687 CC(=O)COCc1ccc(c(c1)I)F 34a_100000211253_100010188208 [0,2,0,0,0,0|2,0,0]=4 10884 B14R1.687 CC(=O)NCCc1ccc(c(c1)C)C 11a_100020591374_100015343762 [0,2,0,0,0,0|2,0,0]=4 10885 B14R1.687 CC(=O)NCCc1ccc(c(c1)C)C 1626a_100020591374_100015343762 [0,2,0,0,0,0|2,0,0]=4 10886 B14R1.687 CC(=O)NCCc1ccc(c(c1)C)C 240690a_100020591374_100015343762 [0,2,0,0,0,0|2,0,0]=4 10887 B14R1.687 CC(=O)NCCc1ccc(c(c1)C)C 527a_100020591374_100103153847 [0,2,0,0,0,0|2,0,0]=4 10888 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)Cl 11a_100011207230_100015343762 [0,2,0,0,0,0|2,0,0]=4 10889 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)Cl 1626a_100011207230_100015343762 [0,2,0,0,0,0|2,0,0]=4 10890 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)Cl 240690a_100011207230_100015343762 [0,2,0,0,0,0|2,0,0]=4 10891 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)Cl 527a_100011207230_100103153847 [0,2,0,0,0,0|2,0,0]=4 10892 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)F 11a_200011997520_100015343762 [0,2,0,0,0,0|2,0,0]=4 10893 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)F 1626a_200011997520_100015343762 [0,2,0,0,0,0|2,0,0]=4 10894 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)F 240690a_200011997520_100015343762 [0,2,0,0,0,0|2,0,0]=4 10895 B14R1.687 CC(=O)NCCc1ccc(c(c1)Cl)F 527a_200011997520_100103153847 [0,2,0,0,0,0|2,0,0]=4 10896 B14R1.687 CC(=O)NCCc1ccc(c(c1)F)F 11a_200000706328_100015343762 [0,2,0,0,0,0|2,0,0]=4 10897 B14R1.687 CC(=O)NCCc1ccc(c(c1)F)F 1626a_200000706328_100015343762 [0,2,0,0,0,0|2,0,0]=4 10898 B14R1.687 CC(=O)NCCc1ccc(c(c1)F)F 240690a_200000706328_100015343762 [0,2,0,0,0,0|2,0,0]=4 10899 B14R1.687 CC(=O)NCCc1ccc(c(c1)F)F 527a_200000706328_100103153847 [0,2,0,0,0,0|2,0,0]=4 10900 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 240690a_100000210387_100015343762 [0,2,0,0,0,0|2,0,0]=4 10901 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 527a_100000210387_100103153847 [0,2,0,0,0,0|2,0,0]=4 10902 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)N 2230a_100000711301_100000727479 [0,2,0,0,0,0|2,0,0]=4 10903 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)N 2230a_100015205234_100000747473 [0,2,0,0,0,0|2,0,0]=4 10904 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)N 34a_100015205234_100000187820 [0,2,0,0,0,0|2,0,0]=4 10905 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)O 269956a_100016091260_100000727479 [0,2,0,0,0,0|1,0,0]=3 10906 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)[O-] 34a_100015205234_100020667443 [0,2,0,0,0,0|1,0,1]=4 10907 B14R1.687 Cc1cc(ccc1Br)COCC(=O)N 34a_100000718852_100000187820 [0,2,0,0,0,0|2,0,0]=4 10908 B14R1.687 Cc1cc(ccc1Br)COCC(=O)N 7a_100000718852_100000187820 [0,2,0,0,0,0|2,0,0]=4 10909 B14R1.687 Cc1cc(ccc1Br)COCC(=O)[O-] 34a_100000718852_100020667443 [0,2,0,0,0,0|1,0,1]=4 10910 B14R1.687 Cc1cc(ccc1Br)CSCC(=O)N 62a_100000727479_100000747473 [0,2,0,0,0,0|2,0,0]=4 10911 B14R1.687 Cc1cc(ccc1Br)CSCC(=O)N 62a_100000747473_100000727479 [0,2,0,0,0,0|2,0,0]=4 10912 B14R1.687 Cc1cc(ccc1Br)CSCC(=O)[O-] 62a_100000727479_100020667443 [0,2,0,0,0,0|1,0,1]=4 10913 B14R1.687 Cc1cc(ccc1Br)CSCC(=O)[O-] 62a_100020667443_100000727479 [0,2,0,0,0,0|1,0,1]=4 10914 B14R1.687 Cc1cc(ccc1Br)NCCC(=O)N 2230a_100000210723_100000744528 [0,2,0,0,0,0|2,0,0]=4 10915 B14R1.687 Cc1cc(ccc1Br)NCCC(=O)N 34a_100000210723_100000731001 [0,2,0,0,0,0|2,0,0]=4 10916 B14R1.687 Cc1cc(ccc1Br)NCCC(=O)N 7a_100000210723_100000744528 [0,2,0,0,0,0|2,0,0]=4 10917 B14R1.687 Cc1cc(ccc1Br)OCCC(=O)N 34a_100000690111_100000731001 [0,2,0,0,0,0|2,0,0]=4 10918 B14R1.687 Cc1cc(ccc1Br)OCCC(=O)N 7a_100000690111_100000744528 [0,2,0,0,0,0|2,0,0]=4 10919 B14R1.687 Cc1cc(ccc1Br)SCCC(=O)N 62a_100000744528_100009813585 [0,2,0,0,0,0|2,0,0]=4 10920 B14R1.687 Cc1cc(ccc1Br)SCCC(=O)N 62a_100009813585_100000744528 [0,2,0,0,0,0|2,0,0]=4 10921 B14R1.687 Cc1cc(ccc1Cl)CNCC(=O)N 2230a_100000711301_100012184735 [0,2,0,0,0,0|2,0,0]=4 10922 B14R1.687 Cc1cc(ccc1Cl)CNCC(=O)O 269956a_100016091260_100012184735 [0,2,0,0,0,0|1,0,0]=3 10923 B14R1.687 Cc1cc(ccc1Cl)CSCC(=O)N 62a_100000747473_100012184735 [0,2,0,0,0,0|2,0,0]=4 10924 B14R1.687 Cc1cc(ccc1Cl)CSCC(=O)N 62a_100012184735_100000747473 [0,2,0,0,0,0|2,0,0]=4 10925 B14R1.687 Cc1cc(ccc1Cl)CSCC(=O)[O-] 62a_100012184735_100020667443 [0,2,0,0,0,0|1,0,1]=4 10926 B14R1.687 Cc1cc(ccc1Cl)CSCC(=O)[O-] 62a_100020667443_100012184735 [0,2,0,0,0,0|1,0,1]=4 10927 B14R1.687 Cc1cc(ccc1Cl)NCCC(=O)N 2230a_100000187808_100000744528 [0,2,0,0,0,0|2,0,0]=4 10928 B14R1.687 Cc1cc(ccc1Cl)NCCC(=O)N 34a_100000187808_100000731001 [0,2,0,0,0,0|2,0,0]=4 10929 B14R1.687 Cc1cc(ccc1Cl)NCCC(=O)N 7a_100000187808_100000744528 [0,2,0,0,0,0|2,0,0]=4 10930 B14R1.687 Cc1cc(ccc1Cl)OCCC(=O)N 34a_100000211092_100000731001 [0,2,0,0,0,0|2,0,0]=4 10931 B14R1.687 Cc1cc(ccc1Cl)OCCC(=O)N 7a_100000211092_100000744528 [0,2,0,0,0,0|2,0,0]=4 10932 B14R1.687 Cc1cc(ccc1Cl)SCCC(=O)N 62a_100000049509_100000744528 [0,2,0,0,0,0|2,0,0]=4 10933 B14R1.687 Cc1cc(ccc1Cl)SCCC(=O)N 62a_100000744528_100000049509 [0,2,0,0,0,0|2,0,0]=4 10934 B14R1.687 Cc1cc(ccc1F)CCCC(=O)[13CH3] 1458a_100011998530_200025704644 [0,2,0,0,0,0|1,0,0]=3 10935 B14R1.687 Cc1cc(ccc1F)CNCC(=O)N 2230a_100000239911_100000747473 [0,2,0,0,0,0|2,0,0]=4 10936 B14R1.687 Cc1cc(ccc1F)CNCC(=O)N 2230a_100000711301_100011216667 [0,2,0,0,0,0|2,0,0]=4 10937 B14R1.687 Cc1cc(ccc1F)CNCC(=O)N 34a_100000239911_100000187820 [0,2,0,0,0,0|2,0,0]=4 10938 B14R1.687 Cc1cc(ccc1F)CNCC(=O)O 269956a_100016091260_100011216667 [0,2,0,0,0,0|1,0,0]=3 10939 B14R1.687 Cc1cc(ccc1F)CNCC(=O)[O-] 34a_100000239911_100020667443 [0,2,0,0,0,0|1,0,1]=4 10940 B14R1.687 Cc1cc(ccc1F)COCC(=O)N 34a_100011219793_100000187820 [0,2,0,0,0,0|2,0,0]=4 10941 B14R1.687 Cc1cc(ccc1F)COCC(=O)N 7a_100011219793_100000187820 [0,2,0,0,0,0|2,0,0]=4 10942 B14R1.687 Cc1cc(ccc1F)COCC(=O)[O-] 34a_100011219793_100020667443 [0,2,0,0,0,0|1,0,1]=4 10943 B14R1.687 Cc1cc(ccc1F)CSCC(=O)N 62a_100000747473_100011216667 [0,2,0,0,0,0|2,0,0]=4 10944 B14R1.687 Cc1cc(ccc1F)CSCC(=O)N 62a_100011216667_100000747473 [0,2,0,0,0,0|2,0,0]=4 10945 B14R1.687 Cc1cc(ccc1F)CSCC(=O)[O-] 62a_100011216667_100020667443 [0,2,0,0,0,0|1,0,1]=4 10946 B14R1.687 Cc1cc(ccc1F)CSCC(=O)[O-] 62a_100020667443_100011216667 [0,2,0,0,0,0|1,0,1]=4 10947 B14R1.687 Cc1cc(ccc1F)NCCC(=O)N 2230a_100000750164_100000744528 [0,2,0,0,0,0|2,0,0]=4 10948 B14R1.687 Cc1cc(ccc1F)NCCC(=O)N 34a_100000750164_100000731001 [0,2,0,0,0,0|2,0,0]=4 10949 B14R1.687 Cc1cc(ccc1F)NCCC(=O)N 7a_100000750164_100000744528 [0,2,0,0,0,0|2,0,0]=4 10950 B14R1.687 Cc1cc(ccc1F)OCCC(=O)N 34a_100000751312_100000731001 [0,2,0,0,0,0|2,0,0]=4 10951 B14R1.687 Cc1cc(ccc1F)OCCC(=O)N 7a_100000751312_100000744528 [0,2,0,0,0,0|2,0,0]=4 10952 B14R1.687 Cc1cc(ccc1F)SCCC(=O)N 62a_100000744528_100011218330 [0,2,0,0,0,0|2,0,0]=4 10953 B14R1.687 Cc1cc(ccc1F)SCCC(=O)N 62a_100011218330_100000744528 [0,2,0,0,0,0|2,0,0]=4 10954 B14R1.687 Cc1cc(ccc1I)NCCC(=O)N 34a_100000198070_100000731001 [0,2,0,0,0,0|2,0,0]=4 10955 B14R1.687 Cc1cc(ccc1I)NCCC(=O)N 7a_100000198070_100000744528 [0,2,0,0,0,0|2,0,0]=4 10956 B14R1.687 Cc1cc(ccc1I)OCCC(=O)N 34a_100000729255_100000731001 [0,2,0,0,0,0|2,0,0]=4 10957 B14R1.687 Cc1cc(ccc1I)OCCC(=O)N 7a_100000729255_100000744528 [0,2,0,0,0,0|2,0,0]=4 10958 B14R1.687 Cc1cc(ccc1N)COCC(=O)N 34a_200011997030_100000187820 [0,2,0,0,0,0|2,0,0]=4 10959 B14R1.687 Cc1cc(ccc1N)COCC(=O)[O-] 34a_200011997030_100020667443 [0,2,0,0,0,0|1,0,1]=4 10960 B14R1.687 Cc1cc(ccc1N)OCCC(=O)N 34a_100000756630_100000731001 [0,2,0,0,0,0|2,0,0]=4 10961 B14R1.687 Cc1cc(ccc1N)OCCC(=O)N 7a_100000756630_100000744528 [0,2,0,0,0,0|2,0,0]=4 10962 B14R1.687 Cc1cc(ccc1N)SCCC(=O)N 62a_100000211769_100000744528 [0,2,0,0,0,0|2,0,0]=4 10963 B14R1.687 Cc1cc(ccc1N)SCCC(=O)N 62a_100000744528_100000211769 [0,2,0,0,0,0|2,0,0]=4 10964 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 34a_100011218179_100000731001 [0,2,0,0,0,0|2,0,0]=4 10965 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 7a_100011218179_100000744528 [0,2,0,0,0,0|2,0,0]=4 10966 B14R1.687 Cc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100000186361 [0,2,0,0,0,0|2,0,0]=4 10967 B14R1.687 Cc1ccc(cc1Br)CNCC(=O)N 2230a_100000711301_100012232412 [0,2,0,0,0,0|2,0,0]=4 10968 B14R1.687 Cc1ccc(cc1Br)CNCC(=O)O 269956a_100016091260_100012232412 [0,2,0,0,0,0|1,0,0]=3 10969 B14R1.687 Cc1ccc(cc1Br)COCC(=O)N 34a_100000708995_100000187820 [0,2,0,0,0,0|2,0,0]=4 10970 B14R1.687 Cc1ccc(cc1Br)COCC(=O)N 7a_100000708995_100000187820 [0,2,0,0,0,0|2,0,0]=4 10971 B14R1.687 Cc1ccc(cc1Br)COCC(=O)[O-] 34a_100000708995_100020667443 [0,2,0,0,0,0|1,0,1]=4 10972 B14R1.687 Cc1ccc(cc1Br)CSCC(=O)N 62a_100000747473_100012232412 [0,2,0,0,0,0|2,0,0]=4 10973 B14R1.687 Cc1ccc(cc1Br)CSCC(=O)N 62a_100012232412_100000747473 [0,2,0,0,0,0|2,0,0]=4 10974 B14R1.687 Cc1ccc(cc1Br)CSCC(=O)[O-] 62a_100012232412_100020667443 [0,2,0,0,0,0|1,0,1]=4 10975 B14R1.687 Cc1ccc(cc1Br)CSCC(=O)[O-] 62a_100020667443_100012232412 [0,2,0,0,0,0|1,0,1]=4 10976 B14R1.687 Cc1ccc(cc1Br)NCCC(=O)N 2230a_100000736455_100000744528 [0,2,0,0,0,0|2,0,0]=4 10977 B14R1.687 Cc1ccc(cc1Br)NCCC(=O)N 34a_100000736455_100000731001 [0,2,0,0,0,0|2,0,0]=4 10978 B14R1.687 Cc1ccc(cc1Br)NCCC(=O)N 7a_100000736455_100000744528 [0,2,0,0,0,0|2,0,0]=4 10979 B14R1.687 Cc1ccc(cc1Br)OCCC(=O)N 34a_100011380479_100000731001 [0,2,0,0,0,0|2,0,0]=4 10980 B14R1.687 Cc1ccc(cc1Br)OCCC(=O)N 7a_100011380479_100000744528 [0,2,0,0,0,0|2,0,0]=4 10981 B14R1.687 Cc1ccc(cc1Br)SCCC(=O)N 62a_100000744528_100011847877 [0,2,0,0,0,0|2,0,0]=4 10982 B14R1.687 Cc1ccc(cc1Br)SCCC(=O)N 62a_100011847877_100000744528 [0,2,0,0,0,0|2,0,0]=4 10983 B14R1.687 Cc1ccc(cc1C)CNCC(=O)N 2230a_100000711301_100000742320 [0,2,0,0,0,0|2,0,0]=4 10984 B14R1.687 Cc1ccc(cc1C)CNCC(=O)N 2230a_100025706692_100000747473 [0,2,0,0,0,0|2,0,0]=4 10985 B14R1.687 Cc1ccc(cc1C)CNCC(=O)N 34a_100025706692_100000187820 [0,2,0,0,0,0|2,0,0]=4 10986 B14R1.687 Cc1ccc(cc1C)CNCC(=O)O 269956a_100016091260_100000742320 [0,2,0,0,0,0|1,0,0]=3 10987 B14R1.687 Cc1ccc(cc1C)CNCC(=O)[O-] 34a_100025706692_100020667443 [0,2,0,0,0,0|1,0,1]=4 10988 B14R1.687 Cc1ccc(cc1C)COCC(=O)N 34a_100011215342_100000187820 [0,2,0,0,0,0|2,0,0]=4 10989 B14R1.687 Cc1ccc(cc1C)COCC(=O)N 7a_100011215342_100000187820 [0,2,0,0,0,0|2,0,0]=4 10990 B14R1.687 Cc1ccc(cc1C)COCC(=O)[O-] 34a_100011215342_100020667443 [0,2,0,0,0,0|1,0,1]=4 10991 B14R1.687 Cc1ccc(cc1C)CSCC(=O)N 62a_100000742320_100000747473 [0,2,0,0,0,0|2,0,0]=4 10992 B14R1.687 Cc1ccc(cc1C)CSCC(=O)N 62a_100000747473_100000742320 [0,2,0,0,0,0|2,0,0]=4 10993 B14R1.687 Cc1ccc(cc1C)CSCC(=O)[O-] 62a_100000742320_100020667443 [0,2,0,0,0,0|1,0,1]=4 10994 B14R1.687 Cc1ccc(cc1C)CSCC(=O)[O-] 62a_100020667443_100000742320 [0,2,0,0,0,0|1,0,1]=4 10995 B14R1.687 Cc1ccc(cc1C)NCCC(=O)N 2230a_100000724040_100000744528 [0,2,0,0,0,0|2,0,0]=4 10996 B14R1.687 Cc1ccc(cc1C)NCCC(=O)N 34a_100000724040_100000731001 [0,2,0,0,0,0|2,0,0]=4 10997 B14R1.687 Cc1ccc(cc1C)NCCC(=O)N 7a_100000724040_100000744528 [0,2,0,0,0,0|2,0,0]=4 10998 B14R1.687 Cc1ccc(cc1C)OCCC(=O)N 34a_100000210932_100000731001 [0,2,0,0,0,0|2,0,0]=4 10999 B14R1.687 Cc1ccc(cc1C)OCCC(=O)N 7a_100000210932_100000744528 [0,2,0,0,0,0|2,0,0]=4 11000 B14R1.687 Cc1ccc(cc1C)SCCC(=O)N 62a_100000744528_100011215607 [0,2,0,0,0,0|2,0,0]=4 11001 B14R1.687 Cc1ccc(cc1C)SCCC(=O)N 62a_100011215607_100000744528 [0,2,0,0,0,0|2,0,0]=4 11002 B14R1.687 Cc1ccc(cc1C)SCCC(=O)[13CH3] 1458a_100000189619_200025704644 [0,2,0,0,0,0|2,0,0]=4 11003 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)N 2230a_100000711301_100011823929 [0,2,0,0,0,0|2,0,0]=4 11004 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)N 2230a_102495364989_100000747473 [0,2,0,0,0,0|2,0,0]=4 11005 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)N 34a_102495364989_100000187820 [0,2,0,0,0,0|2,0,0]=4 11006 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)O 269956a_100016091260_100011823929 [0,2,0,0,0,0|1,0,0]=3 11007 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)[O-] 34a_102495364989_100020667443 [0,2,0,0,0,0|1,0,1]=4 11008 B14R1.687 Cc1ccc(cc1Cl)COCC(=O)N 34a_100011290783_100000187820 [0,2,0,0,0,0|2,0,0]=4 11009 B14R1.687 Cc1ccc(cc1Cl)COCC(=O)N 7a_100011290783_100000187820 [0,2,0,0,0,0|2,0,0]=4 11010 B14R1.687 Cc1ccc(cc1Cl)COCC(=O)[O-] 34a_100011290783_100020667443 [0,2,0,0,0,0|1,0,1]=4 11011 B14R1.687 Cc1ccc(cc1Cl)CSCC(=O)N 62a_100000747473_100011823929 [0,2,0,0,0,0|2,0,0]=4 11012 B14R1.687 Cc1ccc(cc1Cl)CSCC(=O)N 62a_100011823929_100000747473 [0,2,0,0,0,0|2,0,0]=4 11013 B14R1.687 Cc1ccc(cc1Cl)CSCC(=O)[O-] 62a_100011823929_100020667443 [0,2,0,0,0,0|1,0,1]=4 11014 B14R1.687 Cc1ccc(cc1Cl)CSCC(=O)[O-] 62a_100020667443_100011823929 [0,2,0,0,0,0|1,0,1]=4 11015 B14R1.687 Cc1ccc(cc1Cl)NCCC(=O)N 2230a_100000188892_100000744528 [0,2,0,0,0,0|2,0,0]=4 11016 B14R1.687 Cc1ccc(cc1Cl)NCCC(=O)N 34a_100000188892_100000731001 [0,2,0,0,0,0|2,0,0]=4 11017 B14R1.687 Cc1ccc(cc1Cl)NCCC(=O)N 7a_100000188892_100000744528 [0,2,0,0,0,0|2,0,0]=4 11018 B14R1.687 Cc1ccc(cc1Cl)OCCC(=O)N 34a_100011265682_100000731001 [0,2,0,0,0,0|2,0,0]=4 11019 B14R1.687 Cc1ccc(cc1Cl)OCCC(=O)N 7a_100011265682_100000744528 [0,2,0,0,0,0|2,0,0]=4 11020 B14R1.687 Cc1ccc(cc1Cl)SCCC(=O)N 62a_100000744528_100011216363 [0,2,0,0,0,0|2,0,0]=4 11021 B14R1.687 Cc1ccc(cc1Cl)SCCC(=O)N 62a_100011216363_100000744528 [0,2,0,0,0,0|2,0,0]=4 11022 B14R1.687 Cc1ccc(cc1F)CNCC(=O)N 2230a_100000711301_100011217369 [0,2,0,0,0,0|2,0,0]=4 11023 B14R1.687 Cc1ccc(cc1F)CNCC(=O)N 2230a_100102708794_100000747473 [0,2,0,0,0,0|2,0,0]=4 11024 B14R1.687 Cc1ccc(cc1F)CNCC(=O)N 34a_100102708794_100000187820 [0,2,0,0,0,0|2,0,0]=4 11025 B14R1.687 Cc1ccc(cc1F)CNCC(=O)O 269956a_100016091260_100011217369 [0,2,0,0,0,0|1,0,0]=3 11026 B14R1.687 Cc1ccc(cc1F)CNCC(=O)[O-] 34a_100102708794_100020667443 [0,2,0,0,0,0|1,0,1]=4 11027 B14R1.687 Cc1ccc(cc1F)COCC(=O)N 34a_100000702247_100000187820 [0,2,0,0,0,0|2,0,0]=4 11028 B14R1.687 Cc1ccc(cc1F)COCC(=O)N 7a_100000702247_100000187820 [0,2,0,0,0,0|2,0,0]=4 11029 B14R1.687 Cc1ccc(cc1F)COCC(=O)[O-] 34a_100000702247_100020667443 [0,2,0,0,0,0|1,0,1]=4 11030 B14R1.687 Cc1ccc(cc1F)CSCC(=O)N 62a_100000747473_100011217369 [0,2,0,0,0,0|2,0,0]=4 11031 B14R1.687 Cc1ccc(cc1F)CSCC(=O)N 62a_100011217369_100000747473 [0,2,0,0,0,0|2,0,0]=4 11032 B14R1.687 Cc1ccc(cc1F)CSCC(=O)[O-] 62a_100011217369_100020667443 [0,2,0,0,0,0|1,0,1]=4 11033 B14R1.687 Cc1ccc(cc1F)CSCC(=O)[O-] 62a_100020667443_100011217369 [0,2,0,0,0,0|1,0,1]=4 11034 B14R1.687 Cc1ccc(cc1F)NCCC(=O)N 2230a_100000210958_100000744528 [0,2,0,0,0,0|2,0,0]=4 11035 B14R1.687 Cc1ccc(cc1F)NCCC(=O)N 34a_100000210958_100000731001 [0,2,0,0,0,0|2,0,0]=4 11036 B14R1.687 Cc1ccc(cc1F)NCCC(=O)N 7a_100000210958_100000744528 [0,2,0,0,0,0|2,0,0]=4 11037 B14R1.687 Cc1ccc(cc1F)OCCC(=O)N 34a_100000722560_100000731001 [0,2,0,0,0,0|2,0,0]=4 11038 B14R1.687 Cc1ccc(cc1F)OCCC(=O)N 7a_100000722560_100000744528 [0,2,0,0,0,0|2,0,0]=4 11039 B14R1.687 Cc1ccc(cc1F)SCCC(=O)N 62a_100000720648_100000744528 [0,2,0,0,0,0|2,0,0]=4 11040 B14R1.687 Cc1ccc(cc1F)SCCC(=O)N 62a_100000744528_100000720648 [0,2,0,0,0,0|2,0,0]=4 11041 B14R1.687 Cc1ccc(cc1I)CNCC(=O)N 2230a_100000711301_100010206137 [0,2,0,0,0,0|2,0,0]=4 11042 B14R1.687 Cc1ccc(cc1I)CNCC(=O)O 269956a_100016091260_100010206137 [0,2,0,0,0,0|1,0,0]=3 11043 B14R1.687 Cc1ccc(cc1I)COCC(=O)N 34a_100000050133_100000187820 [0,2,0,0,0,0|2,0,0]=4 11044 B14R1.687 Cc1ccc(cc1I)COCC(=O)N 7a_100000050133_100000187820 [0,2,0,0,0,0|2,0,0]=4 11045 B14R1.687 Cc1ccc(cc1I)COCC(=O)[O-] 34a_100000050133_100020667443 [0,2,0,0,0,0|1,0,1]=4 11046 B14R1.687 Cc1ccc(cc1I)CSCC(=O)N 62a_100000747473_100010206137 [0,2,0,0,0,0|2,0,0]=4 11047 B14R1.687 Cc1ccc(cc1I)CSCC(=O)N 62a_100010206137_100000747473 [0,2,0,0,0,0|2,0,0]=4 11048 B14R1.687 Cc1ccc(cc1I)CSCC(=O)[O-] 62a_100010206137_100020667443 [0,2,0,0,0,0|1,0,1]=4 11049 B14R1.687 Cc1ccc(cc1I)CSCC(=O)[O-] 62a_100020667443_100010206137 [0,2,0,0,0,0|1,0,1]=4 11050 B14R1.687 Cc1ccc(cc1I)NCCC(=O)N 34a_100000184131_100000731001 [0,2,0,0,0,0|2,0,0]=4 11051 B14R1.687 Cc1ccc(cc1I)NCCC(=O)N 7a_100000184131_100000744528 [0,2,0,0,0,0|2,0,0]=4 11052 B14R1.687 Cc1ccc(cc1N)COCC(=O)N 34a_100000758420_100000187820 [0,2,0,0,0,0|2,0,0]=4 11053 B14R1.687 Cc1ccc(cc1N)COCC(=O)[O-] 34a_100000758420_100020667443 [0,2,0,0,0,0|1,0,1]=4 11054 B14R1.687 Cc1ccc(cc1N)OCCC(=O)N 34a_100011216113_100000731001 [0,2,0,0,0,0|2,0,0]=4 11055 B14R1.687 Cc1ccc(cc1N)OCCC(=O)N 7a_100011216113_100000744528 [0,2,0,0,0,0|2,0,0]=4 11056 B14R1.687 Cc1ccc(cc1N)SCCC(=O)N 62a_100000744528_100000761890 [0,2,0,0,0,0|2,0,0]=4 11057 B14R1.687 Cc1ccc(cc1N)SCCC(=O)N 62a_100000761890_100000744528 [0,2,0,0,0,0|2,0,0]=4 11058 B14R1.687 Cc1ccc(cc1O)NCCC(=O)N 34a_100000759471_100000731001 [0,2,0,0,0,0|2,0,0]=4 11059 B14R1.687 Cc1ccc(cc1O)NCCC(=O)N 7a_100000759471_100000744528 [0,2,0,0,0,0|2,0,0]=4 11060 B14R1.687 Cc1ccc(cc1O)SCCC(=O)N 62a_100000685420_100000744528 [0,2,0,0,0,0|2,0,0]=4 11061 B14R1.687 Cc1ccc(cc1O)SCCC(=O)N 62a_100000744528_100000685420 [0,2,0,0,0,0|2,0,0]=4 11062 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000744528 [0,2,0,0,0,0|2,0,0]=4 11063 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Br 34a_100011306057_100000731001 [0,2,0,0,0,0|2,0,0]=4 11064 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000744528 [0,2,0,0,0,0|2,0,0]=4 11065 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000744528 [0,2,0,0,0,0|2,0,0]=4 11066 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000731001 [0,2,0,0,0,0|2,0,0]=4 11067 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000744528 [0,2,0,0,0,0|2,0,0]=4 11068 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)F 34a_100000760356_100000731001 [0,2,0,0,0,0|2,0,0]=4 11069 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)F 7a_100000760356_100000744528 [0,2,0,0,0,0|2,0,0]=4 11070 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)I 34a_100000750458_100000731001 [0,2,0,0,0,0|2,0,0]=4 11071 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)O 34a_100011534360_100000731001 [0,2,0,0,0,0|2,0,0]=4 11072 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000744528 [0,2,0,0,0,0|2,0,0]=4 11073 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000731001 [0,2,0,0,0,0|2,0,0]=4 11074 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000744528 [0,2,0,0,0,0|2,0,0]=4 11075 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000744528 [0,2,0,0,0,0|2,0,0]=4 11076 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000731001 [0,2,0,0,0,0|2,0,0]=4 11077 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000744528 [0,2,0,0,0,0|2,0,0]=4 11078 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)F 34a_100000211060_100000731001 [0,2,0,0,0,0|2,0,0]=4 11079 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000744528 [0,2,0,0,0,0|2,0,0]=4 11080 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)I 34a_100000761885_100000731001 [0,2,0,0,0,0|2,0,0]=4 11081 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000731001 [0,2,0,0,0,0|2,0,0]=4 11082 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000744528 [0,2,0,0,0,0|2,0,0]=4 11083 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Br 34a_100000759894_100000731001 [0,2,0,0,0,0|2,0,0]=4 11084 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Br 7a_100000759894_100000744528 [0,2,0,0,0,0|2,0,0]=4 11085 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000744528 [0,2,0,0,0,0|2,0,0]=4 11086 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Cl 34a_100000739366_100000731001 [0,2,0,0,0,0|2,0,0]=4 11087 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000744528 [0,2,0,0,0,0|2,0,0]=4 11088 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)F 2230a_100000210724_100000744528 [0,2,0,0,0,0|2,0,0]=4 11089 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)F 34a_100000210724_100000731001 [0,2,0,0,0,0|2,0,0]=4 11090 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)F 7a_100000210724_100000744528 [0,2,0,0,0,0|2,0,0]=4 11091 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)I 34a_100011356925_100000731001 [0,2,0,0,0,0|2,0,0]=4 11092 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)I 7a_100011356925_100000744528 [0,2,0,0,0,0|2,0,0]=4 11093 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 34a_100011220035_100000731001 [0,2,0,0,0,0|2,0,0]=4 11094 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000744528 [0,2,0,0,0,0|2,0,0]=4 11095 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)Br 34a_100000750459_100000731001 [0,2,0,0,0,0|2,0,0]=4 11096 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000731001 [0,2,0,0,0,0|2,0,0]=4 11097 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)F 34a_114828291077_100000731001 [0,2,0,0,0,0|2,0,0]=4 11098 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)F 7a_114828291077_100000744528 [0,2,0,0,0,0|2,0,0]=4 11099 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000731001 [0,2,0,0,0,0|2,0,0]=4 11100 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)F 34a_100012017398_100000731001 [0,2,0,0,0,0|2,0,0]=4 11101 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)F 7a_100012017398_100000744528 [0,2,0,0,0,0|2,0,0]=4 11102 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000731001 [0,2,0,0,0,0|2,0,0]=4 11103 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000731001 [0,2,0,0,0,0|2,0,0]=4 11104 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000744528 [0,2,0,0,0,0|2,0,0]=4 11105 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)F 34a_100000693481_100000731001 [0,2,0,0,0,0|2,0,0]=4 11106 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)F 7a_100000693481_100000744528 [0,2,0,0,0,0|2,0,0]=4 11107 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)I 34a_100000701344_100000731001 [0,2,0,0,0,0|2,0,0]=4 11108 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)I 7a_100000701344_100000744528 [0,2,0,0,0,0|2,0,0]=4 11109 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)N 34a_100012001276_100000731001 [0,2,0,0,0,0|2,0,0]=4 11110 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)N 7a_100012001276_100000744528 [0,2,0,0,0,0|2,0,0]=4 11111 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000731001 [0,2,0,0,0,0|2,0,0]=4 11112 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000744528 [0,2,0,0,0,0|2,0,0]=4 11113 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000731001 [0,2,0,0,0,0|2,0,0]=4 11114 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000744528 [0,2,0,0,0,0|2,0,0]=4 11115 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000731001 [0,2,0,0,0,0|2,0,0]=4 11116 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000744528 [0,2,0,0,0,0|2,0,0]=4 11117 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000731001 [0,2,0,0,0,0|2,0,0]=4 11118 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000744528 [0,2,0,0,0,0|2,0,0]=4 11119 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000731001 [0,2,0,0,0,0|2,0,0]=4 11120 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000744528 [0,2,0,0,0,0|2,0,0]=4 11121 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Br 34a_100000755031_100000731001 [0,2,0,0,0,0|2,0,0]=4 11122 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Br 7a_100000755031_100000744528 [0,2,0,0,0,0|2,0,0]=4 11123 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000731001 [0,2,0,0,0,0|2,0,0]=4 11124 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000744528 [0,2,0,0,0,0|2,0,0]=4 11125 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)F 34a_100000181275_100000731001 [0,2,0,0,0,0|2,0,0]=4 11126 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)F 7a_100000181275_100000744528 [0,2,0,0,0,0|2,0,0]=4 11127 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)I 34a_100009990212_100000731001 [0,2,0,0,0,0|2,0,0]=4 11128 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)I 7a_100009990212_100000744528 [0,2,0,0,0,0|2,0,0]=4 11129 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)N 34a_100000759473_100000731001 [0,2,0,0,0,0|2,0,0]=4 11130 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)N 7a_100000759473_100000744528 [0,2,0,0,0,0|2,0,0]=4 11131 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Br 34a_100012339312_100000731001 [0,2,0,0,0,0|2,0,0]=4 11132 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000744528 [0,2,0,0,0,0|2,0,0]=4 11133 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000731001 [0,2,0,0,0,0|2,0,0]=4 11134 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000744528 [0,2,0,0,0,0|2,0,0]=4 11135 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)N 34a_100010084370_100000731001 [0,2,0,0,0,0|2,0,0]=4 11136 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)N 7a_100010084370_100000744528 [0,2,0,0,0,0|2,0,0]=4 11137 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)Br 34a_100011999798_100000731001 [0,2,0,0,0,0|2,0,0]=4 11138 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)Br 7a_100011999798_100000744528 [0,2,0,0,0,0|2,0,0]=4 11139 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000731001 [0,2,0,0,0,0|2,0,0]=4 11140 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)F 34a_100012017239_100000731001 [0,2,0,0,0,0|2,0,0]=4 11141 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)F 7a_100012017239_100000744528 [0,2,0,0,0,0|2,0,0]=4 11142 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)N 34a_100025771000_100000731001 [0,2,0,0,0,0|2,0,0]=4 11143 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Br 62a_100000744528_100012356285 [0,2,0,0,0,0|2,0,0]=4 11144 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000744528 [0,2,0,0,0,0|2,0,0]=4 11145 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100000744528_100012353702 [0,2,0,0,0,0|2,0,0]=4 11146 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000744528 [0,2,0,0,0,0|2,0,0]=4 11147 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)F 62a_100000744528_100012047266 [0,2,0,0,0,0|2,0,0]=4 11148 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)F 62a_100012047266_100000744528 [0,2,0,0,0,0|2,0,0]=4 11149 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)N 62a_100000744528_100000750455 [0,2,0,0,0,0|2,0,0]=4 11150 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)N 62a_100000750455_100000744528 [0,2,0,0,0,0|2,0,0]=4 11151 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100000744528_100012361655 [0,2,0,0,0,0|2,0,0]=4 11152 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000744528 [0,2,0,0,0,0|2,0,0]=4 11153 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100000744528_100012047281 [0,2,0,0,0,0|2,0,0]=4 11154 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000744528 [0,2,0,0,0,0|2,0,0]=4 11155 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100000744528_100011214914 [0,2,0,0,0,0|2,0,0]=4 11156 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000744528 [0,2,0,0,0,0|2,0,0]=4 11157 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)F 62a_100000744528_100011215976 [0,2,0,0,0,0|2,0,0]=4 11158 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000744528 [0,2,0,0,0,0|2,0,0]=4 11159 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)N 62a_100000744528_100011218065 [0,2,0,0,0,0|2,0,0]=4 11160 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000744528 [0,2,0,0,0,0|2,0,0]=4 11161 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000744528_100012360047 [0,2,0,0,0,0|2,0,0]=4 11162 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000744528 [0,2,0,0,0,0|2,0,0]=4 11163 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Br 62a_100000685389_100000744528 [0,2,0,0,0,0|2,0,0]=4 11164 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Br 62a_100000744528_100000685389 [0,2,0,0,0,0|2,0,0]=4 11165 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Cl 62a_100000744528_100011216805 [0,2,0,0,0,0|2,0,0]=4 11166 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000744528 [0,2,0,0,0,0|2,0,0]=4 11167 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)F 62a_100000703953_100000744528 [0,2,0,0,0,0|2,0,0]=4 11168 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)F 62a_100000744528_100000703953 [0,2,0,0,0,0|2,0,0]=4 11169 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)N 62a_100000744528_100011215594 [0,2,0,0,0,0|2,0,0]=4 11170 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)N 62a_100011215594_100000744528 [0,2,0,0,0,0|2,0,0]=4 11171 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000744528 [0,2,0,0,0,0|2,0,0]=4 11172 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000744528_100000185481 [0,2,0,0,0,0|2,0,0]=4 11173 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Br 62a_100000744528_100000750456 [0,2,0,0,0,0|2,0,0]=4 11174 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Br 62a_100000750456_100000744528 [0,2,0,0,0,0|2,0,0]=4 11175 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Cl 62a_100000744528_200000761891 [0,2,0,0,0,0|2,0,0]=4 11176 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000744528 [0,2,0,0,0,0|2,0,0]=4 11177 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)F 62a_100000740924_100000744528 [0,2,0,0,0,0|2,0,0]=4 11178 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)F 62a_100000744528_100000740924 [0,2,0,0,0,0|2,0,0]=4 11179 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)N 62a_100000741789_100000744528 [0,2,0,0,0,0|2,0,0]=4 11180 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)N 62a_100000744528_100011534411 [0,2,0,0,0,0|2,0,0]=4 11181 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000744528_100000752626 [0,2,0,0,0,0|2,0,0]=4 11182 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000744528 [0,2,0,0,0,0|2,0,0]=4 11183 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Br 62a_100000744528_100012356990 [0,2,0,0,0,0|2,0,0]=4 11184 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000744528 [0,2,0,0,0,0|2,0,0]=4 11185 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Cl 62a_100000744528_100011356854 [0,2,0,0,0,0|2,0,0]=4 11186 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000744528 [0,2,0,0,0,0|2,0,0]=4 11187 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)F 62a_100000686035_100000744528 [0,2,0,0,0,0|2,0,0]=4 11188 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)F 62a_100000744528_100000686035 [0,2,0,0,0,0|2,0,0]=4 11189 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)N 62a_100000739049_100000744528 [0,2,0,0,0,0|2,0,0]=4 11190 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)N 62a_100000744528_100000739049 [0,2,0,0,0,0|2,0,0]=4 11191 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)O 62a_100000744528_100009813601 [0,2,0,0,0,0|2,0,0]=4 11192 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)Br 2230a_100000711301_100012353900 [0,2,0,0,0,0|2,0,0]=4 11193 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000747473 [0,2,0,0,0,0|2,0,0]=4 11194 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)Br 34a_100012351559_100000187820 [0,2,0,0,0,0|2,0,0]=4 11195 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)Cl 2230a_100000711301_100012353894 [0,2,0,0,0,0|2,0,0]=4 11196 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000747473 [0,2,0,0,0,0|2,0,0]=4 11197 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000187820 [0,2,0,0,0,0|2,0,0]=4 11198 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)F 2230a_100000711301_100011206884 [0,2,0,0,0,0|2,0,0]=4 11199 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)F 2230a_100015193890_100000747473 [0,2,0,0,0,0|2,0,0]=4 11200 B14R1.687 NC(=O)CNCc1ccc(c(c1)Br)F 34a_100015193890_100000187820 [0,2,0,0,0,0|2,0,0]=4 11201 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)Br 2230a_100000711301_100012353895 [0,2,0,0,0,0|2,0,0]=4 11202 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000747473 [0,2,0,0,0,0|2,0,0]=4 11203 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000187820 [0,2,0,0,0,0|2,0,0]=4 11204 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000747473 [0,2,0,0,0,0|2,0,0]=4 11205 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)Cl 2230a_100000711301_100000184707 [0,2,0,0,0,0|2,0,0]=4 11206 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000187820 [0,2,0,0,0,0|2,0,0]=4 11207 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)F 2230a_100000711301_100000717365 [0,2,0,0,0,0|2,0,0]=4 11208 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000747473 [0,2,0,0,0,0|2,0,0]=4 11209 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)F 34a_100000749334_100000187820 [0,2,0,0,0,0|2,0,0]=4 11210 B14R1.687 NC(=O)CNCc1ccc(c(c1)Cl)I 2230a_100000711301_100012349665 [0,2,0,0,0,0|2,0,0]=4 11211 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)Br 2230a_100000711301_100000767054 [0,2,0,0,0,0|2,0,0]=4 11212 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)Br 2230a_100000755036_100000747473 [0,2,0,0,0,0|2,0,0]=4 11213 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)Br 34a_100000755036_100000187820 [0,2,0,0,0,0|2,0,0]=4 11214 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)Cl 2230a_100000711301_100000716492 [0,2,0,0,0,0|2,0,0]=4 11215 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000747473 [0,2,0,0,0,0|2,0,0]=4 11216 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)Cl 34a_100011219866_100000187820 [0,2,0,0,0,0|2,0,0]=4 11217 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)F 2230a_100000711301_100000757363 [0,2,0,0,0,0|2,0,0]=4 11218 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)F 2230a_100000737897_100000747473 [0,2,0,0,0,0|2,0,0]=4 11219 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)F 34a_100000737897_100000187820 [0,2,0,0,0,0|2,0,0]=4 11220 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)I 2230a_100000711301_100010149604 [0,2,0,0,0,0|2,0,0]=4 11221 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)O 34a_100000758358_100000187820 [0,2,0,0,0,0|2,0,0]=4 11222 B14R1.687 NC(=O)CNCc1ccc(c(c1)I)Br 2230a_100000711301_100010146616 [0,2,0,0,0,0|2,0,0]=4 11223 B14R1.687 NC(=O)CNCc1ccc(c(c1)I)F 2230a_100000711301_100010188208 [0,2,0,0,0,0|2,0,0]=4 11224 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100000187820 [0,2,0,0,0,0|2,0,0]=4 11225 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)F 34a_100160469508_100000187820 [0,2,0,0,0,0|2,0,0]=4 11226 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)O 34a_100000010075_100000187820 [0,2,0,0,0,0|2,0,0]=4 11227 B14R1.687 NC(=O)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100000187820 [0,2,0,0,0,0|2,0,0]=4 11228 B14R1.687 NC(=O)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100000187820 [0,2,0,0,0,0|2,0,0]=4 11229 B14R1.687 NC(=O)COCc1ccc(c(c1)Br)F 34a_100000246287_100000187820 [0,2,0,0,0,0|2,0,0]=4 11230 B14R1.687 NC(=O)COCc1ccc(c(c1)Br)F 7a_100000246287_100000187820 [0,2,0,0,0,0|2,0,0]=4 11231 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)Br 34a_100000709168_100000187820 [0,2,0,0,0,0|2,0,0]=4 11232 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)Br 7a_100000709168_100000187820 [0,2,0,0,0,0|2,0,0]=4 11233 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000187820 [0,2,0,0,0,0|2,0,0]=4 11234 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000187820 [0,2,0,0,0,0|2,0,0]=4 11235 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)F 34a_100011217911_100000187820 [0,2,0,0,0,0|2,0,0]=4 11236 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)F 7a_100011217911_100000187820 [0,2,0,0,0,0|2,0,0]=4 11237 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)I 34a_100000718186_100000187820 [0,2,0,0,0,0|2,0,0]=4 11238 B14R1.687 NC(=O)COCc1ccc(c(c1)Cl)I 7a_100000718186_100000187820 [0,2,0,0,0,0|2,0,0]=4 11239 B14R1.687 NC(=O)COCc1ccc(c(c1)F)Br 34a_100011533735_100000187820 [0,2,0,0,0,0|2,0,0]=4 11240 B14R1.687 NC(=O)COCc1ccc(c(c1)F)Br 7a_100011533735_100000187820 [0,2,0,0,0,0|2,0,0]=4 11241 B14R1.687 NC(=O)COCc1ccc(c(c1)F)Cl 34a_100011218299_100000187820 [0,2,0,0,0,0|2,0,0]=4 11242 B14R1.687 NC(=O)COCc1ccc(c(c1)F)Cl 7a_100011218299_100000187820 [0,2,0,0,0,0|2,0,0]=4 11243 B14R1.687 NC(=O)COCc1ccc(c(c1)F)F 34a_100011215442_100000187820 [0,2,0,0,0,0|2,0,0]=4 11244 B14R1.687 NC(=O)COCc1ccc(c(c1)F)F 7a_100011215442_100000187820 [0,2,0,0,0,0|2,0,0]=4 11245 B14R1.687 NC(=O)COCc1ccc(c(c1)F)I 34a_100010149597_100000187820 [0,2,0,0,0,0|2,0,0]=4 11246 B14R1.687 NC(=O)COCc1ccc(c(c1)F)I 7a_100010149597_100000187820 [0,2,0,0,0,0|2,0,0]=4 11247 B14R1.687 NC(=O)COCc1ccc(c(c1)F)N 34a_100011217239_100000187820 [0,2,0,0,0,0|2,0,0]=4 11248 B14R1.687 NC(=O)COCc1ccc(c(c1)I)F 34a_100000049585_100000187820 [0,2,0,0,0,0|2,0,0]=4 11249 B14R1.687 NC(=O)COCc1ccc(c(c1)I)F 7a_100000049585_100000187820 [0,2,0,0,0,0|2,0,0]=4 11250 B14R1.687 NC(=O)COCc1ccc(c(c1)N)Br 34a_100012347568_100000187820 [0,2,0,0,0,0|2,0,0]=4 11251 B14R1.687 NC(=O)COCc1ccc(c(c1)N)Cl 34a_106256033963_100000187820 [0,2,0,0,0,0|2,0,0]=4 11252 B14R1.687 NC(=O)COCc1ccc(c(c1)N)F 34a_102125399562_100000187820 [0,2,0,0,0,0|2,0,0]=4 11253 B14R1.687 NC(=O)CSCc1ccc(c(c1)Br)Br 62a_100000747473_100012353900 [0,2,0,0,0,0|2,0,0]=4 11254 B14R1.687 NC(=O)CSCc1ccc(c(c1)Br)Br 62a_100012353900_100000747473 [0,2,0,0,0,0|2,0,0]=4 11255 B14R1.687 NC(=O)CSCc1ccc(c(c1)Br)Cl 62a_100000747473_100012353894 [0,2,0,0,0,0|2,0,0]=4 11256 B14R1.687 NC(=O)CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000747473 [0,2,0,0,0,0|2,0,0]=4 11257 B14R1.687 NC(=O)CSCc1ccc(c(c1)Br)F 62a_100000747473_100011206884 [0,2,0,0,0,0|2,0,0]=4 11258 B14R1.687 NC(=O)CSCc1ccc(c(c1)Br)F 62a_100011206884_100000747473 [0,2,0,0,0,0|2,0,0]=4 11259 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)Br 62a_100000747473_100012353895 [0,2,0,0,0,0|2,0,0]=4 11260 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000747473 [0,2,0,0,0,0|2,0,0]=4 11261 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000747473 [0,2,0,0,0,0|2,0,0]=4 11262 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)Cl 62a_100000747473_100000184707 [0,2,0,0,0,0|2,0,0]=4 11263 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)F 62a_100000717365_100000747473 [0,2,0,0,0,0|2,0,0]=4 11264 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)F 62a_100000747473_100011934319 [0,2,0,0,0,0|2,0,0]=4 11265 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)I 62a_100000747473_100012349665 [0,2,0,0,0,0|2,0,0]=4 11266 B14R1.687 NC(=O)CSCc1ccc(c(c1)Cl)I 62a_100012349665_100000747473 [0,2,0,0,0,0|2,0,0]=4 11267 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)Br 62a_100000747473_100000767054 [0,2,0,0,0,0|2,0,0]=4 11268 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)Br 62a_100000767054_100000747473 [0,2,0,0,0,0|2,0,0]=4 11269 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)Cl 62a_100000716492_100000747473 [0,2,0,0,0,0|2,0,0]=4 11270 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)Cl 62a_100000747473_100000716492 [0,2,0,0,0,0|2,0,0]=4 11271 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)F 62a_100000747473_100000757363 [0,2,0,0,0,0|2,0,0]=4 11272 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)F 62a_100000757363_100000747473 [0,2,0,0,0,0|2,0,0]=4 11273 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)I 62a_100000747473_100010149604 [0,2,0,0,0,0|2,0,0]=4 11274 B14R1.687 NC(=O)CSCc1ccc(c(c1)F)I 62a_100010149604_100000747473 [0,2,0,0,0,0|2,0,0]=4 11275 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)Br 62a_100000747473_100010146616 [0,2,0,0,0,0|2,0,0]=4 11276 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)Br 62a_100010146616_100000747473 [0,2,0,0,0,0|2,0,0]=4 11277 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)F 62a_100000747473_100010188208 [0,2,0,0,0,0|2,0,0]=4 11278 B14R1.687 NC(=O)CSCc1ccc(c(c1)I)F 62a_100010188208_100000747473 [0,2,0,0,0,0|2,0,0]=4 11279 B14R1.687 Nc1cc(ccc1Br)COCC(=O)[O-] 34a_100012347568_100020667443 [0,2,0,0,0,0|1,0,1]=4 11280 B14R1.687 Nc1cc(ccc1Cl)COCC(=O)[O-] 34a_106256033963_100020667443 [0,2,0,0,0,0|1,0,1]=4 11281 B14R1.687 Nc1cc(ccc1F)COCC(=O)[O-] 34a_102125399562_100020667443 [0,2,0,0,0,0|1,0,1]=4 11282 B14R1.687 Nc1ccc(cc1F)COCC(=O)[O-] 34a_100011217239_100020667443 [0,2,0,0,0,0|1,0,1]=4 11283 B14R1.687 O=C(O)CNCc1cc(=O)c(co1)O 269956a_100016091260_100000010605 [0,2,0,0,0,0|2,0,0]=4 11284 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Br 269956a_100016091260_100012353900 [0,2,0,0,0,0|1,0,0]=3 11285 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Cl 269956a_100016091260_100012353894 [0,2,0,0,0,0|1,0,0]=3 11286 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)F 269956a_100016091260_100000743011 [0,2,0,0,0,0|1,0,0]=3 11287 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Br 269956a_100016091260_100012353895 [0,2,0,0,0,0|1,0,0]=3 11288 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Cl 269956a_100016091260_100000188800 [0,2,0,0,0,0|1,0,0]=3 11289 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)F 269956a_100016091260_100000717365 [0,2,0,0,0,0|1,0,0]=3 11290 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)I 269956a_100016091260_100012349665 [0,2,0,0,0,0|1,0,0]=3 11291 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Br 269956a_100016091260_100000767054 [0,2,0,0,0,0|1,0,0]=3 11292 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Cl 269956a_100016091260_100000716492 [0,2,0,0,0,0|1,0,0]=3 11293 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)F 269956a_100016091260_100000757363 [0,2,0,0,0,0|1,0,0]=3 11294 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)I 269956a_100016091260_100010149604 [0,2,0,0,0,0|1,0,0]=3 11295 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)Br 269956a_100016091260_100010146616 [0,2,0,0,0,0|1,0,0]=3 11296 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)F 269956a_100016091260_100010188208 [0,2,0,0,0,0|1,0,0]=3 11297 B14R1.687 O=C(O)CNCc1cnc(c(c1)Br)F 269956a_100016091260_200010066439 [0,2,0,0,0,0|2,0,0]=4 11298 B14R1.687 O=C(O)CNCc1cnc(c(c1)Cl)Cl 269956a_100016091260_100009843750 [0,2,0,0,0,0|2,0,0]=4 11299 B14R1.687 O=C(O)CNCc1cnc(c(c1)I)Cl 269956a_100016091260_100011072623 [0,2,0,0,0,0|2,0,0]=4 11300 B14R1.687 O=C([O-])CNCc1ccc(c(c1)Br)Br 34a_100012351559_100020667443 [0,2,0,0,0,0|1,0,1]=4 11301 B14R1.687 O=C([O-])CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100020667443 [0,2,0,0,0,0|1,0,1]=4 11302 B14R1.687 O=C([O-])CNCc1ccc(c(c1)Br)F 34a_100015193890_100020667443 [0,2,0,0,0,0|1,0,1]=4 11303 B14R1.687 O=C([O-])CNCc1ccc(c(c1)Cl)Br 34a_100012362553_100020667443 [0,2,0,0,0,0|1,0,1]=4 11304 B14R1.687 O=C([O-])CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100020667443 [0,2,0,0,0,0|1,0,1]=4 11305 B14R1.687 O=C([O-])CNCc1ccc(c(c1)Cl)F 34a_100000749334_100020667443 [0,2,0,0,0,0|1,0,1]=4 11306 B14R1.687 O=C([O-])CNCc1ccc(c(c1)F)Br 34a_100000755036_100020667443 [0,2,0,0,0,0|1,0,1]=4 11307 B14R1.687 O=C([O-])CNCc1ccc(c(c1)F)Cl 34a_100011219866_100020667443 [0,2,0,0,0,0|1,0,1]=4 11308 B14R1.687 O=C([O-])CNCc1ccc(c(c1)F)F 34a_100000737897_100020667443 [0,2,0,0,0,0|1,0,1]=4 11309 B14R1.687 O=C([O-])CNCc1ccc(c(c1)F)O 34a_100000758358_100020667443 [0,2,0,0,0,0|1,0,1]=4 11310 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)Cl 34a_100020636435_100020667443 [0,2,0,0,0,0|1,0,1]=4 11311 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)F 34a_100160469508_100020667443 [0,2,0,0,0,0|1,0,1]=4 11312 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)O 34a_100000010075_100020667443 [0,2,0,0,0,0|1,0,1]=4 11313 B14R1.687 O=C([O-])COCc1ccc(c(c1)Br)Cl 34a_100012353893_100020667443 [0,2,0,0,0,0|1,0,1]=4 11314 B14R1.687 O=C([O-])COCc1ccc(c(c1)Br)F 34a_100000246287_100020667443 [0,2,0,0,0,0|1,0,1]=4 11315 B14R1.687 O=C([O-])COCc1ccc(c(c1)Cl)Br 34a_100000709168_100020667443 [0,2,0,0,0,0|1,0,1]=4 11316 B14R1.687 O=C([O-])COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100020667443 [0,2,0,0,0,0|1,0,1]=4 11317 B14R1.687 O=C([O-])COCc1ccc(c(c1)Cl)F 34a_100011217911_100020667443 [0,2,0,0,0,0|1,0,1]=4 11318 B14R1.687 O=C([O-])COCc1ccc(c(c1)Cl)I 34a_100000718186_100020667443 [0,2,0,0,0,0|1,0,1]=4 11319 B14R1.687 O=C([O-])COCc1ccc(c(c1)F)Br 34a_100011533735_100020667443 [0,2,0,0,0,0|1,0,1]=4 11320 B14R1.687 O=C([O-])COCc1ccc(c(c1)F)Cl 34a_100011218299_100020667443 [0,2,0,0,0,0|1,0,1]=4 11321 B14R1.687 O=C([O-])COCc1ccc(c(c1)F)F 34a_100011215442_100020667443 [0,2,0,0,0,0|1,0,1]=4 11322 B14R1.687 O=C([O-])COCc1ccc(c(c1)F)I 34a_100010149597_100020667443 [0,2,0,0,0,0|1,0,1]=4 11323 B14R1.687 O=C([O-])COCc1ccc(c(c1)I)F 34a_100000049585_100020667443 [0,2,0,0,0,0|1,0,1]=4 11324 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Br)Br 62a_100012353900_100020667443 [0,2,0,0,0,0|1,0,1]=4 11325 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Br)Br 62a_100020667443_100012353900 [0,2,0,0,0,0|1,0,1]=4 11326 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100020667443 [0,2,0,0,0,0|1,0,1]=4 11327 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Br)Cl 62a_100020667443_100012353894 [0,2,0,0,0,0|1,0,1]=4 11328 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Br)F 62a_100011206884_100020667443 [0,2,0,0,0,0|1,0,1]=4 11329 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Br)F 62a_100020667443_100011206884 [0,2,0,0,0,0|1,0,1]=4 11330 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)Br 62a_100012353895_100020667443 [0,2,0,0,0,0|1,0,1]=4 11331 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)Br 62a_100020667443_100012353895 [0,2,0,0,0,0|1,0,1]=4 11332 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100020667443 [0,2,0,0,0,0|1,0,1]=4 11333 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)Cl 62a_100020667443_100000184707 [0,2,0,0,0,0|1,0,1]=4 11334 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)F 62a_100000717365_100020667443 [0,2,0,0,0,0|1,0,1]=4 11335 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)F 62a_100020667443_100011934319 [0,2,0,0,0,0|1,0,1]=4 11336 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)I 62a_100012349665_100020667443 [0,2,0,0,0,0|1,0,1]=4 11337 B14R1.687 O=C([O-])CSCc1ccc(c(c1)Cl)I 62a_100020667443_100012349665 [0,2,0,0,0,0|1,0,1]=4 11338 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)Br 62a_100000767054_100020667443 [0,2,0,0,0,0|1,0,1]=4 11339 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)Br 62a_100020667443_100000767054 [0,2,0,0,0,0|1,0,1]=4 11340 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)Cl 62a_100000716492_100020667443 [0,2,0,0,0,0|1,0,1]=4 11341 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)Cl 62a_100020667443_100000716492 [0,2,0,0,0,0|1,0,1]=4 11342 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)F 62a_100000757363_100020667443 [0,2,0,0,0,0|1,0,1]=4 11343 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)F 62a_100020667443_100000757363 [0,2,0,0,0,0|1,0,1]=4 11344 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)I 62a_100010149604_100020667443 [0,2,0,0,0,0|1,0,1]=4 11345 B14R1.687 O=C([O-])CSCc1ccc(c(c1)F)I 62a_100020667443_100010149604 [0,2,0,0,0,0|1,0,1]=4 11346 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)Br 62a_100010146616_100020667443 [0,2,0,0,0,0|1,0,1]=4 11347 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)Br 62a_100020667443_100010146616 [0,2,0,0,0,0|1,0,1]=4 11348 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)F 62a_100010188208_100020667443 [0,2,0,0,0,0|1,0,1]=4 11349 B14R1.687 O=C([O-])CSCc1ccc(c(c1)I)F 62a_100020667443_100010188208 [0,2,0,0,0,0|1,0,1]=4 11350 B14R1.687 [13CH3]C(=O)COCc1ccc(c(c1)Cl)Cl 1458a_200012339786_200025704644 [0,2,0,0,0,0|2,0,0]=4 11351 B14R1.1025 C#CC(=O)CCCc1cccc(c1)Br 1458a_100000211873_100011713683 [0,2,0,0,0,0|1,0,0]=3 11352 B14R1.1025 C#CC(=O)CCCc1cccc(c1)F 1458a_100000211873_200000698031 [0,2,0,0,0,0|1,0,0]=3 11353 B14R1.1025 C#CC(=O)CCOc1cccc(c1)Br 1458a_100000211873_100000183150 [0,2,0,0,0,0|2,0,0]=4 11354 B14R1.1025 C#CC(=O)CCOc1cccc(c1)Cl 1458a_100000211873_100000181161 [0,2,0,0,0,0|2,0,0]=4 11355 B14R1.1025 C#CC(=O)CCOc1cccc(c1)F 1458a_100000211873_100000739188 [0,2,0,0,0,0|2,0,0]=4 11356 B14R1.1025 C=CC(=O)CCCc1cccc(c1)Br 1458a_100000185746_100011713683 [0,2,0,0,0,0|1,0,0]=3 11357 B14R1.1025 C=CC(=O)CCCc1cccc(c1)F 1458a_100000185746_200000698031 [0,2,0,0,0,0|1,0,0]=3 11358 B14R1.1025 C=CC(=O)CCOc1cccc(c1)Br 1458a_100000185746_100000183150 [0,2,0,0,0,0|2,0,0]=4 11359 B14R1.1025 C=CC(=O)CCOc1cccc(c1)Cl 1458a_100000185746_100000181161 [0,2,0,0,0,0|2,0,0]=4 11360 B14R1.1025 C=CC(=O)CCOc1cccc(c1)F 1458a_100000185746_100000739188 [0,2,0,0,0,0|2,0,0]=4 11361 B14R1.1025 C=CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100000185746 [0,2,0,0,0,0|2,0,0]=4 11362 B14R1.1025 C=CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_200121576911 [0,2,0,0,0,0|2,0,0]=4 11363 B14R1.1025 C=CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100000185746 [0,2,0,0,0,0|2,0,0]=4 11364 B14R1.1025 C=CC(=O)NCCc1cccc(c1)C 240690a_100000749837_200121576911 [0,2,0,0,0,0|2,0,0]=4 11365 B14R1.1025 C=CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100000185746 [0,2,0,0,0,0|2,0,0]=4 11366 B14R1.1025 C=CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_200121576911 [0,2,0,0,0,0|2,0,0]=4 11367 B14R1.1025 C=CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100000185746 [0,2,0,0,0,0|2,0,0]=4 11368 B14R1.1025 C=CC(=O)NCCc1cccc(c1)F 240690a_100000205154_200121576911 [0,2,0,0,0,0|2,0,0]=4 11369 B14R1.1025 C=CC(=O)NCCc1cccc(c1)O 240690a_100000747277_200121576911 [0,2,0,0,0,0|2,0,0]=4 11370 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000210414_100011713683 [0,2,0,0,0,0|1,0,0]=3 11371 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000685939_100000210202 [0,2,0,0,0,0|1,0,0]=3 11372 B14R1.1025 CCC(=O)CCCc1cccc(c1)F 1458a_100000210414_200000698031 [0,2,0,0,0,0|1,0,0]=3 11373 B14R1.1025 CCC(=O)CCOc1cccc(c1)Br 1458a_100000183437_100000210202 [0,2,0,0,0,0|2,0,0]=4 11374 B14R1.1025 CCC(=O)CCOc1cccc(c1)Br 1458a_100000210414_100000183150 [0,2,0,0,0,0|2,0,0]=4 11375 B14R1.1025 CCC(=O)CCOc1cccc(c1)C 1458a_100000182325_100000210202 [0,2,0,0,0,0|2,0,0]=4 11376 B14R1.1025 CCC(=O)CCOc1cccc(c1)Cl 1458a_100000210414_100000181161 [0,2,0,0,0,0|2,0,0]=4 11377 B14R1.1025 CCC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_100000210202 [0,2,0,0,0,0|2,0,0]=4 11378 B14R1.1025 CCC(=O)CCOc1cccc(c1)F 1458a_100000210414_100000739188 [0,2,0,0,0,0|2,0,0]=4 11379 B14R1.1025 CCC(=O)CCOc1cccc(c1)F 1458a_100000737089_100000210202 [0,2,0,0,0,0|2,0,0]=4 11380 B14R1.1025 CCC(=O)COCc1cccc(c1)Br 34a_100000725409_100000698116 [0,2,0,0,0,0|2,0,0]=4 11381 B14R1.1025 CCC(=O)COCc1cccc(c1)Br 7a_100000687537_100000747405 [0,2,0,0,0,0|2,0,0]=4 11382 B14R1.1025 CCC(=O)COCc1cccc(c1)C 34a_100000725409_100000211840 [0,2,0,0,0,0|2,0,0]=4 11383 B14R1.1025 CCC(=O)COCc1cccc(c1)C 7a_100011217746_100000747405 [0,2,0,0,0,0|2,0,0]=4 11384 B14R1.1025 CCC(=O)COCc1cccc(c1)Cl 34a_100000725409_100000187163 [0,2,0,0,0,0|2,0,0]=4 11385 B14R1.1025 CCC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000747405 [0,2,0,0,0,0|2,0,0]=4 11386 B14R1.1025 CCC(=O)COCc1cccc(c1)F 34a_100000725409_100000187166 [0,2,0,0,0,0|2,0,0]=4 11387 B14R1.1025 CCC(=O)COCc1cccc(c1)F 7a_100000210976_100000747405 [0,2,0,0,0,0|2,0,0]=4 11388 B14R1.1025 CCC(=O)COCc1cccc(c1)I 34a_100000725409_100011218688 [0,2,0,0,0,0|2,0,0]=4 11389 B14R1.1025 CCC(=O)COCc1cccc(c1)I 7a_100011215336_100000747405 [0,2,0,0,0,0|2,0,0]=4 11390 B14R1.1025 CCC(=O)COCc1cccc(c1)O 34a_100000725409_100011660834 [0,2,0,0,0,0|2,0,0]=4 11391 B14R1.1025 CCC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747405 [0,2,0,0,0,0|2,0,0]=4 11392 B14R1.1025 CCC(=O)CSCc1cccc(c1)Br 62a_100000747405_100000211773 [0,2,0,0,0,0|2,0,0]=4 11393 B14R1.1025 CCC(=O)CSCc1cccc(c1)C 62a_100000211840_100000747405 [0,2,0,0,0,0|2,0,0]=4 11394 B14R1.1025 CCC(=O)CSCc1cccc(c1)C 62a_100000747405_100000211840 [0,2,0,0,0,0|2,0,0]=4 11395 B14R1.1025 CCC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_100000210202 [0,2,0,0,0,0|2,0,0]=4 11396 B14R1.1025 CCC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747405 [0,2,0,0,0,0|2,0,0]=4 11397 B14R1.1025 CCC(=O)CSCc1cccc(c1)Cl 62a_100000747405_100000187163 [0,2,0,0,0,0|2,0,0]=4 11398 B14R1.1025 CCC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747405 [0,2,0,0,0,0|2,0,0]=4 11399 B14R1.1025 CCC(=O)CSCc1cccc(c1)F 62a_100000747405_100000230114 [0,2,0,0,0,0|2,0,0]=4 11400 B14R1.1025 CCC(=O)CSCc1cccc(c1)I 62a_100000747405_100011218688 [0,2,0,0,0,0|2,0,0]=4 11401 B14R1.1025 CCC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747405 [0,2,0,0,0,0|2,0,0]=4 11402 B14R1.1025 CCC(=O)CSCc1cccc(c1)O 62a_100000747405_100011660834 [0,2,0,0,0,0|2,0,0]=4 11403 B14R1.1025 CCC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747405 [0,2,0,0,0,0|2,0,0]=4 11404 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 11a_100011207229_100000210414 [0,2,0,0,0,0|2,0,0]=4 11405 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100000210414 [0,2,0,0,0,0|2,0,0]=4 11406 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100000210414 [0,2,0,0,0,0|2,0,0]=4 11407 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 527a_100011207229_100000210414 [0,2,0,0,0,0|2,0,0]=4 11408 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 11a_100000749837_100000210414 [0,2,0,0,0,0|2,0,0]=4 11409 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 1626a_100000749837_100000210414 [0,2,0,0,0,0|2,0,0]=4 11410 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 240690a_100000749837_100000210414 [0,2,0,0,0,0|2,0,0]=4 11411 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 527a_100000749837_100000210414 [0,2,0,0,0,0|2,0,0]=4 11412 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100000210414 [0,2,0,0,0,0|2,0,0]=4 11413 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100000210414 [0,2,0,0,0,0|2,0,0]=4 11414 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100000210414 [0,2,0,0,0,0|2,0,0]=4 11415 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100000210414 [0,2,0,0,0,0|2,0,0]=4 11416 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 11a_100000205154_100000210414 [0,2,0,0,0,0|2,0,0]=4 11417 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 1626a_100000205154_100000210414 [0,2,0,0,0,0|2,0,0]=4 11418 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 240690a_100000205154_100000210414 [0,2,0,0,0,0|2,0,0]=4 11419 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 527a_100000205154_100000210414 [0,2,0,0,0,0|2,0,0]=4 11420 B14R1.1025 CCC(=O)NCCc1cccc(c1)O 240690a_100000747277_100000210414 [0,2,0,0,0,0|2,0,0]=4 11421 B14R1.1025 CCC(=O)NCCc1cccc(c1)O 527a_100000747277_100000210414 [0,2,0,0,0,0|2,0,0]=4 11422 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 11a_106832991635_100000685939 [0,2,0,0,0,0|1,0,0]=3 11423 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 1626a_100102657272_100000685939 [0,2,0,0,0,0|1,0,0]=3 11424 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 240690a_100102657272_100000685939 [0,2,0,0,0,0|1,0,0]=3 11425 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 527a_100102657272_100000685939 [0,2,0,0,0,0|1,0,0]=3 11426 B14R1.1025 CNC(=O)CCNc1cccc(c1)Br 34a_100000210019_100012179268 [0,2,0,0,0,0|2,0,0]=4 11427 B14R1.1025 CNC(=O)CCNc1cccc(c1)C 2230a_100000188690_100000737683 [0,2,0,0,0,0|2,0,0]=4 11428 B14R1.1025 CNC(=O)CCNc1cccc(c1)C 34a_100000188690_100012179268 [0,2,0,0,0,0|2,0,0]=4 11429 B14R1.1025 CNC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100012179268 [0,2,0,0,0,0|2,0,0]=4 11430 B14R1.1025 CNC(=O)CCNc1cccc(c1)F 34a_100000210047_100012179268 [0,2,0,0,0,0|2,0,0]=4 11431 B14R1.1025 CNC(=O)CCNc1cccc(c1)I 34a_100000211102_100012179268 [0,2,0,0,0,0|2,0,0]=4 11432 B14R1.1025 CNC(=O)CCNc1cccc(c1)O 34a_100000210217_100012179268 [0,2,0,0,0,0|2,0,0]=4 11433 B14R1.1025 CNC(=O)CCOc1cccc(c1)Br 240690a_100102657272_100000183437 [0,2,0,0,0,0|2,0,0]=4 11434 B14R1.1025 CNC(=O)CCOc1cccc(c1)Br 34a_100000210342_100012179268 [0,2,0,0,0,0|2,0,0]=4 11435 B14R1.1025 CNC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000737683 [0,2,0,0,0,0|2,0,0]=4 11436 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 11a_106832991635_100000182325 [0,2,0,0,0,0|2,0,0]=4 11437 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 1626a_100102657272_100000182325 [0,2,0,0,0,0|2,0,0]=4 11438 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 240690a_100102657272_100000182325 [0,2,0,0,0,0|2,0,0]=4 11439 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 34a_100000210337_100012179268 [0,2,0,0,0,0|2,0,0]=4 11440 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 7a_100000210337_100000737683 [0,2,0,0,0,0|2,0,0]=4 11441 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 1626a_100102657272_100000738917 [0,2,0,0,0,0|2,0,0]=4 11442 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 240690a_100102657272_100000738917 [0,2,0,0,0,0|2,0,0]=4 11443 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100012179268 [0,2,0,0,0,0|2,0,0]=4 11444 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000737683 [0,2,0,0,0,0|2,0,0]=4 11445 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 11a_106832991635_100000737089 [0,2,0,0,0,0|2,0,0]=4 11446 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 1626a_100102657272_100000737089 [0,2,0,0,0,0|2,0,0]=4 11447 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 240690a_100102657272_100000737089 [0,2,0,0,0,0|2,0,0]=4 11448 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 34a_100000210426_100012179268 [0,2,0,0,0,0|2,0,0]=4 11449 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 7a_100000210426_100000737683 [0,2,0,0,0,0|2,0,0]=4 11450 B14R1.1025 CNC(=O)CCOc1cccc(c1)I 34a_100000211634_100012179268 [0,2,0,0,0,0|2,0,0]=4 11451 B14R1.1025 CNC(=O)CCOc1cccc(c1)I 7a_100000211634_100000737683 [0,2,0,0,0,0|2,0,0]=4 11452 B14R1.1025 CNC(=O)CCOc1cccc(c1)N 34a_100000210217_100012179268 [0,2,0,0,0,0|2,0,0]=4 11453 B14R1.1025 CNC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000737683 [0,2,0,0,0,0|2,0,0]=4 11454 B14R1.1025 CNC(=O)CCSc1cccc(c1)Br 62a_100000737683_100000691529 [0,2,0,0,0,0|2,0,0]=4 11455 B14R1.1025 CNC(=O)CCSc1cccc(c1)C 62a_100000737683_100011215228 [0,2,0,0,0,0|2,0,0]=4 11456 B14R1.1025 CNC(=O)CCSc1cccc(c1)C 62a_100011215228_100000737683 [0,2,0,0,0,0|2,0,0]=4 11457 B14R1.1025 CNC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000737683 [0,2,0,0,0,0|2,0,0]=4 11458 B14R1.1025 CNC(=O)CCSc1cccc(c1)Cl 62a_100000737683_100000699651 [0,2,0,0,0,0|2,0,0]=4 11459 B14R1.1025 CNC(=O)CCSc1cccc(c1)F 62a_100000685547_100000737683 [0,2,0,0,0,0|2,0,0]=4 11460 B14R1.1025 CNC(=O)CCSc1cccc(c1)F 62a_100000737683_100000685547 [0,2,0,0,0,0|2,0,0]=4 11461 B14R1.1025 CNC(=O)CCSc1cccc(c1)N 62a_100000210019_100000737683 [0,2,0,0,0,0|2,0,0]=4 11462 B14R1.1025 CNC(=O)CCSc1cccc(c1)N 62a_100000737683_100000210019 [0,2,0,0,0,0|2,0,0]=4 11463 B14R1.1025 CNC(=O)CCSc1cccc(c1)O 62a_100000737683_100000211634 [0,2,0,0,0,0|2,0,0]=4 11464 B14R1.1025 CNC(=O)CCSc1cccc(c1)[S] 62a_100000737683_114929384022 [0,2,0,0,0,0|2,0,0]=4 11465 B14R1.1025 CNC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000737683 [0,2,0,0,0,0|2,0,0]=4 11466 B14R1.1025 CNC(=O)CNCc1cccc(c1)Br 207a_100000693194_100000210085 [0,2,0,0,0,0|2,0,0]=4 11467 B14R1.1025 CNC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000183359 [0,2,0,0,0,0|2,0,0]=4 11468 B14R1.1025 CNC(=O)CNCc1cccc(c1)Br 2230a_100000693194_100000698116 [0,2,0,0,0,0|2,0,0]=4 11469 B14R1.1025 CNC(=O)CNCc1cccc(c1)Br 270004a_100000693194_100000210085 [0,2,0,0,0,0|2,0,0]=4 11470 B14R1.1025 CNC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000183359 [0,2,0,0,0,0|2,0,0]=4 11471 B14R1.1025 CNC(=O)CNCc1cccc(c1)C 207a_100000693194_100000211157 [0,2,0,0,0,0|2,0,0]=4 11472 B14R1.1025 CNC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000183359 [0,2,0,0,0,0|2,0,0]=4 11473 B14R1.1025 CNC(=O)CNCc1cccc(c1)C 2230a_100000693194_100000211840 [0,2,0,0,0,0|2,0,0]=4 11474 B14R1.1025 CNC(=O)CNCc1cccc(c1)C 270004a_100000693194_100000211157 [0,2,0,0,0,0|2,0,0]=4 11475 B14R1.1025 CNC(=O)CNCc1cccc(c1)C 34a_100000185548_100000183359 [0,2,0,0,0,0|2,0,0]=4 11476 B14R1.1025 CNC(=O)CNCc1cccc(c1)Cl 207a_100000693194_100000210801 [0,2,0,0,0,0|2,0,0]=4 11477 B14R1.1025 CNC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000183359 [0,2,0,0,0,0|2,0,0]=4 11478 B14R1.1025 CNC(=O)CNCc1cccc(c1)Cl 2230a_100000693194_100000181238 [0,2,0,0,0,0|2,0,0]=4 11479 B14R1.1025 CNC(=O)CNCc1cccc(c1)Cl 270004a_100000693194_100000210801 [0,2,0,0,0,0|2,0,0]=4 11480 B14R1.1025 CNC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000183359 [0,2,0,0,0,0|2,0,0]=4 11481 B14R1.1025 CNC(=O)CNCc1cccc(c1)F 207a_100000693194_100000210812 [0,2,0,0,0,0|2,0,0]=4 11482 B14R1.1025 CNC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000183359 [0,2,0,0,0,0|2,0,0]=4 11483 B14R1.1025 CNC(=O)CNCc1cccc(c1)F 2230a_100000693194_100000230114 [0,2,0,0,0,0|2,0,0]=4 11484 B14R1.1025 CNC(=O)CNCc1cccc(c1)F 270004a_100000693194_100000210812 [0,2,0,0,0,0|2,0,0]=4 11485 B14R1.1025 CNC(=O)CNCc1cccc(c1)F 34a_100000174948_100000183359 [0,2,0,0,0,0|2,0,0]=4 11486 B14R1.1025 CNC(=O)CNCc1cccc(c1)I 207a_100000693194_100000014684 [0,2,0,0,0,0|2,0,0]=4 11487 B14R1.1025 CNC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000183359 [0,2,0,0,0,0|2,0,0]=4 11488 B14R1.1025 CNC(=O)CNCc1cccc(c1)I 2230a_100000693194_100011218688 [0,2,0,0,0,0|2,0,0]=4 11489 B14R1.1025 CNC(=O)CNCc1cccc(c1)I 270004a_100000693194_100000014684 [0,2,0,0,0,0|2,0,0]=4 11490 B14R1.1025 CNC(=O)CNCc1cccc(c1)I 34a_100000106179_100000183359 [0,2,0,0,0,0|2,0,0]=4 11491 B14R1.1025 CNC(=O)CNCc1cccc(c1)O 207a_100000693194_100000188321 [0,2,0,0,0,0|2,0,0]=4 11492 B14R1.1025 CNC(=O)CNCc1cccc(c1)O 2230a_100000693194_100011660834 [0,2,0,0,0,0|2,0,0]=4 11493 B14R1.1025 CNC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000183359 [0,2,0,0,0,0|2,0,0]=4 11494 B14R1.1025 CNC(=O)CNCc1cccc(c1)O 270004a_100000693194_100000188321 [0,2,0,0,0,0|2,0,0]=4 11495 B14R1.1025 CNC(=O)CNCc1cccc(c1)O 34a_100000743036_100000183359 [0,2,0,0,0,0|2,0,0]=4 11496 B14R1.1025 CNC(=O)COCc1cccc(c1)Br 34a_100000687537_100000183359 [0,2,0,0,0,0|2,0,0]=4 11497 B14R1.1025 CNC(=O)COCc1cccc(c1)Br 34a_100000750040_100000698116 [0,2,0,0,0,0|2,0,0]=4 11498 B14R1.1025 CNC(=O)COCc1cccc(c1)Br 7a_100000687537_100000183359 [0,2,0,0,0,0|2,0,0]=4 11499 B14R1.1025 CNC(=O)COCc1cccc(c1)C 34a_100000750040_100000211840 [0,2,0,0,0,0|2,0,0]=4 11500 B14R1.1025 CNC(=O)COCc1cccc(c1)C 34a_100011217746_100000183359 [0,2,0,0,0,0|2,0,0]=4 11501 B14R1.1025 CNC(=O)COCc1cccc(c1)C 7a_100011217746_100000183359 [0,2,0,0,0,0|2,0,0]=4 11502 B14R1.1025 CNC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000183359 [0,2,0,0,0,0|2,0,0]=4 11503 B14R1.1025 CNC(=O)COCc1cccc(c1)Cl 34a_100000750040_100000187163 [0,2,0,0,0,0|2,0,0]=4 11504 B14R1.1025 CNC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000183359 [0,2,0,0,0,0|2,0,0]=4 11505 B14R1.1025 CNC(=O)COCc1cccc(c1)F 34a_100000210976_100000183359 [0,2,0,0,0,0|2,0,0]=4 11506 B14R1.1025 CNC(=O)COCc1cccc(c1)F 34a_100000750040_100000187166 [0,2,0,0,0,0|2,0,0]=4 11507 B14R1.1025 CNC(=O)COCc1cccc(c1)F 7a_100000210976_100000183359 [0,2,0,0,0,0|2,0,0]=4 11508 B14R1.1025 CNC(=O)COCc1cccc(c1)I 34a_100000750040_100011218688 [0,2,0,0,0,0|2,0,0]=4 11509 B14R1.1025 CNC(=O)COCc1cccc(c1)I 34a_100011215336_100000183359 [0,2,0,0,0,0|2,0,0]=4 11510 B14R1.1025 CNC(=O)COCc1cccc(c1)I 7a_100011215336_100000183359 [0,2,0,0,0,0|2,0,0]=4 11511 B14R1.1025 CNC(=O)COCc1cccc(c1)N 34a_100000211919_100000183359 [0,2,0,0,0,0|2,0,0]=4 11512 B14R1.1025 CNC(=O)COCc1cccc(c1)O 34a_100000750040_100011660834 [0,2,0,0,0,0|2,0,0]=4 11513 B14R1.1025 CNC(=O)CSCc1cccc(c1)Br 62a_100000183359_100000211773 [0,2,0,0,0,0|2,0,0]=4 11514 B14R1.1025 CNC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000183359 [0,2,0,0,0,0|2,0,0]=4 11515 B14R1.1025 CNC(=O)CSCc1cccc(c1)C 62a_100000183359_100000211840 [0,2,0,0,0,0|2,0,0]=4 11516 B14R1.1025 CNC(=O)CSCc1cccc(c1)C 62a_100000211840_100000183359 [0,2,0,0,0,0|2,0,0]=4 11517 B14R1.1025 CNC(=O)CSCc1cccc(c1)Cl 11a_106832991635_100000150269 [0,2,0,0,0,0|2,0,0]=4 11518 B14R1.1025 CNC(=O)CSCc1cccc(c1)Cl 1626a_100102657272_100000150269 [0,2,0,0,0,0|2,0,0]=4 11519 B14R1.1025 CNC(=O)CSCc1cccc(c1)Cl 240690a_100102657272_100000150269 [0,2,0,0,0,0|2,0,0]=4 11520 B14R1.1025 CNC(=O)CSCc1cccc(c1)Cl 527a_100102657272_100000150269 [0,2,0,0,0,0|2,0,0]=4 11521 B14R1.1025 CNC(=O)CSCc1cccc(c1)Cl 62a_100000183359_100000187163 [0,2,0,0,0,0|2,0,0]=4 11522 B14R1.1025 CNC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000183359 [0,2,0,0,0,0|2,0,0]=4 11523 B14R1.1025 CNC(=O)CSCc1cccc(c1)F 62a_100000183359_100000230114 [0,2,0,0,0,0|2,0,0]=4 11524 B14R1.1025 CNC(=O)CSCc1cccc(c1)F 62a_100000230114_100000183359 [0,2,0,0,0,0|2,0,0]=4 11525 B14R1.1025 CNC(=O)CSCc1cccc(c1)I 62a_100000183359_100011218688 [0,2,0,0,0,0|2,0,0]=4 11526 B14R1.1025 CNC(=O)CSCc1cccc(c1)I 62a_100011218688_100000183359 [0,2,0,0,0,0|2,0,0]=4 11527 B14R1.1025 CNC(=O)CSCc1cccc(c1)O 62a_100000183359_100011660834 [0,2,0,0,0,0|2,0,0]=4 11528 B14R1.1025 CNC(=O)CSCc1cccc(c1)O 62a_100011660834_100000183359 [0,2,0,0,0,0|2,0,0]=4 11529 B14R1.1025 CNC(=O)NCCc1cccc(c1)Br 2708a_100011207229_106832991635 [0,2,0,0,0,0|2,0,0]=4 11530 B14R1.1025 CNC(=O)NCCc1cccc(c1)Br 2708a_100102657272_100011207229 [0,2,0,0,0,0|2,0,0]=4 11531 B14R1.1025 CNC(=O)NCCc1cccc(c1)Br 273464a_100011207229_100102657272 [0,2,0,0,0,0|2,0,0]=4 11532 B14R1.1025 CNC(=O)NCCc1cccc(c1)Br 273464a_100102657272_100011207229 [0,2,0,0,0,0|2,0,0]=4 11533 B14R1.1025 CNC(=O)NCCc1cccc(c1)Br 512a_100011207229_100102657272 [0,2,0,0,0,0|2,0,0]=4 11534 B14R1.1025 CNC(=O)NCCc1cccc(c1)Br 512a_106832991638_100011207229 [0,2,0,0,0,0|2,0,0]=4 11535 B14R1.1025 CNC(=O)NCCc1cccc(c1)C 2708a_100000749837_106832991635 [0,2,0,0,0,0|2,0,0]=4 11536 B14R1.1025 CNC(=O)NCCc1cccc(c1)C 2708a_100102657272_100000749837 [0,2,0,0,0,0|2,0,0]=4 11537 B14R1.1025 CNC(=O)NCCc1cccc(c1)C 273464a_100000749837_100102657272 [0,2,0,0,0,0|2,0,0]=4 11538 B14R1.1025 CNC(=O)NCCc1cccc(c1)C 273464a_100102657272_100000749837 [0,2,0,0,0,0|2,0,0]=4 11539 B14R1.1025 CNC(=O)NCCc1cccc(c1)C 512a_100000749837_100102657272 [0,2,0,0,0,0|2,0,0]=4 11540 B14R1.1025 CNC(=O)NCCc1cccc(c1)C 512a_106832991638_100000749837 [0,2,0,0,0,0|2,0,0]=4 11541 B14R1.1025 CNC(=O)NCCc1cccc(c1)Cl 2708a_100000185263_106832991635 [0,2,0,0,0,0|2,0,0]=4 11542 B14R1.1025 CNC(=O)NCCc1cccc(c1)Cl 2708a_100102657272_100000185263 [0,2,0,0,0,0|2,0,0]=4 11543 B14R1.1025 CNC(=O)NCCc1cccc(c1)Cl 273464a_100000185263_100102657272 [0,2,0,0,0,0|2,0,0]=4 11544 B14R1.1025 CNC(=O)NCCc1cccc(c1)Cl 273464a_100102657272_100000185263 [0,2,0,0,0,0|2,0,0]=4 11545 B14R1.1025 CNC(=O)NCCc1cccc(c1)Cl 512a_100000185263_100102657272 [0,2,0,0,0,0|2,0,0]=4 11546 B14R1.1025 CNC(=O)NCCc1cccc(c1)Cl 512a_106832991638_100000185263 [0,2,0,0,0,0|2,0,0]=4 11547 B14R1.1025 CNC(=O)NCCc1cccc(c1)F 2708a_100000205154_106832991635 [0,2,0,0,0,0|2,0,0]=4 11548 B14R1.1025 CNC(=O)NCCc1cccc(c1)F 2708a_100102657272_100000205154 [0,2,0,0,0,0|2,0,0]=4 11549 B14R1.1025 CNC(=O)NCCc1cccc(c1)F 273464a_100000205154_100102657272 [0,2,0,0,0,0|2,0,0]=4 11550 B14R1.1025 CNC(=O)NCCc1cccc(c1)F 273464a_100102657272_100000205154 [0,2,0,0,0,0|2,0,0]=4 11551 B14R1.1025 CNC(=O)NCCc1cccc(c1)F 512a_100000205154_100102657272 [0,2,0,0,0,0|2,0,0]=4 11552 B14R1.1025 CNC(=O)NCCc1cccc(c1)F 512a_106832991638_100000205154 [0,2,0,0,0,0|2,0,0]=4 11553 B14R1.1025 CNC(=O)NCCc1cccc(c1)O 2708a_100000747277_106832991635 [0,2,0,0,0,0|2,0,0]=4 11554 B14R1.1025 CNC(=O)NCCc1cccc(c1)O 2708a_100102657272_100000747277 [0,2,0,0,0,0|2,0,0]=4 11555 B14R1.1025 CNC(=O)NCCc1cccc(c1)O 273464a_100000747277_100102657272 [0,2,0,0,0,0|2,0,0]=4 11556 B14R1.1025 CNC(=O)NCCc1cccc(c1)O 273464a_100102657272_100000747277 [0,2,0,0,0,0|2,0,0]=4 11557 B14R1.1025 CNC(=O)NCCc1cccc(c1)O 512a_100000747277_100102657272 [0,2,0,0,0,0|2,0,0]=4 11558 B14R1.1025 CNC(=O)NCCc1cccc(c1)O 512a_106832991638_100000747277 [0,2,0,0,0,0|2,0,0]=4 11559 B14R1.1025 COC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000742370 [0,2,0,0,0,0|1,0,0]=3 11560 B14R1.1025 COC(=O)CCNc1cccc(c1)C 2230a_100000188690_100000204255 [0,2,0,0,0,0|1,0,0]=3 11561 B14R1.1025 COC(=O)CCNc1cccc(c1)C 34a_100000188690_100000742370 [0,2,0,0,0,0|1,0,0]=3 11562 B14R1.1025 COC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000742370 [0,2,0,0,0,0|1,0,0]=3 11563 B14R1.1025 COC(=O)CCNc1cccc(c1)F 34a_100000210047_100000742370 [0,2,0,0,0,0|1,0,0]=3 11564 B14R1.1025 COC(=O)CCNc1cccc(c1)I 34a_100000211102_100000742370 [0,2,0,0,0,0|1,0,0]=3 11565 B14R1.1025 COC(=O)CCNc1cccc(c1)O 34a_100000210217_100000742370 [0,2,0,0,0,0|1,0,0]=3 11566 B14R1.1025 COC(=O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000742370 [0,2,0,0,0,0|2,0,0]=4 11567 B14R1.1025 COC(=O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000742370 [0,2,0,0,0,0|2,0,0]=4 11568 B14R1.1025 COC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000204255 [0,2,0,0,0,0|2,0,0]=4 11569 B14R1.1025 COC(=O)CCOc1cccc(=O)[nH]1 34a_100000033347_100000742370 [0,2,0,0,0,0|2,0,0]=4 11570 B14R1.1025 COC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000742370 [0,2,0,0,0,0|1,0,0]=3 11571 B14R1.1025 COC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000204255 [0,2,0,0,0,0|1,0,0]=3 11572 B14R1.1025 COC(=O)CCOc1cccc(c1)C 34a_100000210337_100000742370 [0,2,0,0,0,0|1,0,0]=3 11573 B14R1.1025 COC(=O)CCOc1cccc(c1)C 7a_100000210337_100000204255 [0,2,0,0,0,0|1,0,0]=3 11574 B14R1.1025 COC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000742370 [0,2,0,0,0,0|1,0,0]=3 11575 B14R1.1025 COC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000204255 [0,2,0,0,0,0|1,0,0]=3 11576 B14R1.1025 COC(=O)CCOc1cccc(c1)F 34a_100000210426_100000742370 [0,2,0,0,0,0|1,0,0]=3 11577 B14R1.1025 COC(=O)CCOc1cccc(c1)F 7a_100000210426_100000204255 [0,2,0,0,0,0|1,0,0]=3 11578 B14R1.1025 COC(=O)CCOc1cccc(c1)I 34a_100000211634_100000742370 [0,2,0,0,0,0|1,0,0]=3 11579 B14R1.1025 COC(=O)CCOc1cccc(c1)I 7a_100000211634_100000204255 [0,2,0,0,0,0|1,0,0]=3 11580 B14R1.1025 COC(=O)CCOc1cccc(c1)N 34a_100000210217_100000742370 [0,2,0,0,0,0|1,0,0]=3 11581 B14R1.1025 COC(=O)CCOc1cccc(n1)F 34a_100011432558_100000742370 [0,2,0,0,0,0|2,0,0]=4 11582 B14R1.1025 COC(=O)CCOc1ccnc(c1)C 34a_100000688365_100000742370 [0,2,0,0,0,0|2,0,0]=4 11583 B14R1.1025 COC(=O)CCOc1ccnc(c1)Cl 34a_100000762945_100000742370 [0,2,0,0,0,0|2,0,0]=4 11584 B14R1.1025 COC(=O)CCOc1ccnc(c1)F 34a_100000732698_100000742370 [0,2,0,0,0,0|2,0,0]=4 11585 B14R1.1025 COC(=O)CCOc1ccnc(c1)N 34a_100011834064_100000742370 [0,2,0,0,0,0|2,0,0]=4 11586 B14R1.1025 COC(=O)CCOc1cncc(c1)Br 34a_100000754920_100000742370 [0,2,0,0,0,0|2,0,0]=4 11587 B14R1.1025 COC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000204255 [0,2,0,0,0,0|2,0,0]=4 11588 B14R1.1025 COC(=O)CCOc1cncc(c1)C 34a_100011830280_100000742370 [0,2,0,0,0,0|2,0,0]=4 11589 B14R1.1025 COC(=O)CCOc1cncc(c1)C 7a_100011830280_100000204255 [0,2,0,0,0,0|2,0,0]=4 11590 B14R1.1025 COC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000204255 [0,2,0,0,0,0|2,0,0]=4 11591 B14R1.1025 COC(=O)CCOc1cncc(c1)F 34a_100011830296_100000742370 [0,2,0,0,0,0|2,0,0]=4 11592 B14R1.1025 COC(=O)CCOc1cncc(c1)F 7a_100011830296_100000204255 [0,2,0,0,0,0|2,0,0]=4 11593 B14R1.1025 COC(=O)CCOc1cncc(c1)N 34a_100011997051_100000742370 [0,2,0,0,0,0|2,0,0]=4 11594 B14R1.1025 COC(=O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000204255 [0,2,0,0,0,0|2,0,0]=4 11595 B14R1.1025 COC(=O)CCSc1cc(ccn1)C 62a_100000204255_100000750283 [0,2,0,0,0,0|2,0,0]=4 11596 B14R1.1025 COC(=O)CCSc1cc(ccn1)C 62a_100000750283_100000204255 [0,2,0,0,0,0|2,0,0]=4 11597 B14R1.1025 COC(=O)CCSc1cc(ccn1)Cl 62a_100000204255_100010167805 [0,2,0,0,0,0|2,0,0]=4 11598 B14R1.1025 COC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000204255 [0,2,0,0,0,0|2,0,0]=4 11599 B14R1.1025 COC(=O)CCSc1cc(ccn1)F 62a_100000204255_100000764206 [0,2,0,0,0,0|2,0,0]=4 11600 B14R1.1025 COC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000204255 [0,2,0,0,0,0|2,0,0]=4 11601 B14R1.1025 COC(=O)CCSc1cc(ccn1)N 62a_100000204255_100009814236 [0,2,0,0,0,0|2,0,0]=4 11602 B14R1.1025 COC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000204255 [0,2,0,0,0,0|2,0,0]=4 11603 B14R1.1025 COC(=O)CCSc1cc(ccn1)O 62a_100000204255_100000762945 [0,2,0,0,0,0|2,0,0]=4 11604 B14R1.1025 COC(=O)CCSc1cc[nH]c(=O)c1 62a_100000204255_100009816521 [0,2,0,0,0,0|2,0,0]=4 11605 B14R1.1025 COC(=O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000204255 [0,2,0,0,0,0|2,0,0]=4 11606 B14R1.1025 COC(=O)CCSc1ccc[n+](c1)C 62a_100000204255_100009996589 [0,2,0,0,0,0|2,0,0]=4 11607 B14R1.1025 COC(=O)CCSc1ccc[n+](c1)C 62a_100009996589_100000204255 [0,2,0,0,0,0|2,0,0]=4 11608 B14R1.1025 COC(=O)CCSc1ccc[n+](c1)[O-] 62a_100000204255_100009815978 [0,2,0,0,0,0|2,0,0]=4 11609 B14R1.1025 COC(=O)CCSc1cccc(=O)[nH]1 62a_100000204255_100000752884 [0,2,0,0,0,0|2,0,0]=4 11610 B14R1.1025 COC(=O)CCSc1cccc(c1)Br 62a_100000204255_100000691529 [0,2,0,0,0,0|1,0,0]=3 11611 B14R1.1025 COC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000204255 [0,2,0,0,0,0|1,0,0]=3 11612 B14R1.1025 COC(=O)CCSc1cccc(c1)C 62a_100000204255_100011215228 [0,2,0,0,0,0|1,0,0]=3 11613 B14R1.1025 COC(=O)CCSc1cccc(c1)C 62a_100011215228_100000204255 [0,2,0,0,0,0|1,0,0]=3 11614 B14R1.1025 COC(=O)CCSc1cccc(c1)Cl 62a_100000204255_100000699651 [0,2,0,0,0,0|1,0,0]=3 11615 B14R1.1025 COC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000204255 [0,2,0,0,0,0|1,0,0]=3 11616 B14R1.1025 COC(=O)CCSc1cccc(c1)F 62a_100000204255_100000685547 [0,2,0,0,0,0|1,0,0]=3 11617 B14R1.1025 COC(=O)CCSc1cccc(c1)F 62a_100000685547_100000204255 [0,2,0,0,0,0|1,0,0]=3 11618 B14R1.1025 COC(=O)CCSc1cccc(c1)N 62a_100000204255_100000210019 [0,2,0,0,0,0|1,0,0]=3 11619 B14R1.1025 COC(=O)CCSc1cccc(c1)N 62a_100000210019_100000204255 [0,2,0,0,0,0|1,0,0]=3 11620 B14R1.1025 COC(=O)CCSc1cccc(c1)O 62a_100000204255_100000211634 [0,2,0,0,0,0|1,0,0]=3 11621 B14R1.1025 COC(=O)CCSc1cccc(c1)[S] 62a_100000204255_114929384022 [0,2,0,0,0,0|1,0,0]=3 11622 B14R1.1025 COC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000204255 [0,2,0,0,0,0|1,0,0]=3 11623 B14R1.1025 COC(=O)CCSc1cccc(n1)Br 62a_100000204255_100000684672 [0,2,0,0,0,0|2,0,0]=4 11624 B14R1.1025 COC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000204255 [0,2,0,0,0,0|2,0,0]=4 11625 B14R1.1025 COC(=O)CCSc1cccc(n1)C 62a_100000204255_100000742759 [0,2,0,0,0,0|2,0,0]=4 11626 B14R1.1025 COC(=O)CCSc1cccc(n1)C 62a_100000742759_100000204255 [0,2,0,0,0,0|2,0,0]=4 11627 B14R1.1025 COC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000204255 [0,2,0,0,0,0|2,0,0]=4 11628 B14R1.1025 COC(=O)CCSc1cccc(n1)Cl 62a_100000204255_100000051397 [0,2,0,0,0,0|2,0,0]=4 11629 B14R1.1025 COC(=O)CCSc1cccc(n1)F 62a_100000204255_100009815982 [0,2,0,0,0,0|2,0,0]=4 11630 B14R1.1025 COC(=O)CCSc1cccc(n1)F 62a_100009815982_100000204255 [0,2,0,0,0,0|2,0,0]=4 11631 B14R1.1025 COC(=O)CCSc1cccc(n1)N 62a_100000204255_100000740741 [0,2,0,0,0,0|2,0,0]=4 11632 B14R1.1025 COC(=O)CCSc1cccc(n1)N 62a_100000740741_100000204255 [0,2,0,0,0,0|2,0,0]=4 11633 B14R1.1025 COC(=O)CCSc1ccnc(c1)Br 62a_100000204255_100009814637 [0,2,0,0,0,0|2,0,0]=4 11634 B14R1.1025 COC(=O)CCSc1ccnc(c1)Br 62a_100009814637_100000204255 [0,2,0,0,0,0|2,0,0]=4 11635 B14R1.1025 COC(=O)CCSc1ccnc(c1)C 62a_100000204255_100000758586 [0,2,0,0,0,0|2,0,0]=4 11636 B14R1.1025 COC(=O)CCSc1ccnc(c1)C 62a_100000758586_100000204255 [0,2,0,0,0,0|2,0,0]=4 11637 B14R1.1025 COC(=O)CCSc1ccnc(c1)Cl 62a_100000035001_100000204255 [0,2,0,0,0,0|2,0,0]=4 11638 B14R1.1025 COC(=O)CCSc1ccnc(c1)Cl 62a_100000204255_100000035001 [0,2,0,0,0,0|2,0,0]=4 11639 B14R1.1025 COC(=O)CCSc1ccnc(c1)F 62a_100000204255_100009816116 [0,2,0,0,0,0|2,0,0]=4 11640 B14R1.1025 COC(=O)CCSc1ccnc(c1)F 62a_100009816116_100000204255 [0,2,0,0,0,0|2,0,0]=4 11641 B14R1.1025 COC(=O)CCSc1ccnc(c1)N 62a_100000049665_100000204255 [0,2,0,0,0,0|2,0,0]=4 11642 B14R1.1025 COC(=O)CCSc1ccnc(c1)N 62a_100000204255_100000049665 [0,2,0,0,0,0|2,0,0]=4 11643 B14R1.1025 COC(=O)CCSc1cncc(c1)Br 62a_100000204255_100000728054 [0,2,0,0,0,0|2,0,0]=4 11644 B14R1.1025 COC(=O)CCSc1cncc(c1)Br 62a_100000728054_100000204255 [0,2,0,0,0,0|2,0,0]=4 11645 B14R1.1025 COC(=O)CCSc1cncc(c1)C 62a_100000204255_100000760492 [0,2,0,0,0,0|2,0,0]=4 11646 B14R1.1025 COC(=O)CCSc1cncc(c1)C 62a_100000760492_100000204255 [0,2,0,0,0,0|2,0,0]=4 11647 B14R1.1025 COC(=O)CCSc1cncc(c1)Cl 62a_100000049639_100000204255 [0,2,0,0,0,0|2,0,0]=4 11648 B14R1.1025 COC(=O)CCSc1cncc(c1)Cl 62a_100000204255_100000049639 [0,2,0,0,0,0|2,0,0]=4 11649 B14R1.1025 COC(=O)CCSc1cncc(c1)F 62a_100000204255_100000744099 [0,2,0,0,0,0|2,0,0]=4 11650 B14R1.1025 COC(=O)CCSc1cncc(c1)F 62a_100000744099_100000204255 [0,2,0,0,0,0|2,0,0]=4 11651 B14R1.1025 COC(=O)CCSc1cncc(c1)N 62a_100000204255_100000687067 [0,2,0,0,0,0|2,0,0]=4 11652 B14R1.1025 COC(=O)CCSc1cncc(c1)N 62a_100000687067_100000204255 [0,2,0,0,0,0|2,0,0]=4 11653 B14R1.1025 COC(=O)CCSc1cncc(c1)O 62a_100000204255_100000754920 [0,2,0,0,0,0|2,0,0]=4 11654 B14R1.1025 COC(=O)CCSc1cncc(c1)O 62a_100000754920_100000204255 [0,2,0,0,0,0|2,0,0]=4 11655 B14R1.1025 COC(=O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100000747449 [0,2,0,0,0,0|2,0,0]=4 11656 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747449 [0,2,0,0,0,0|1,0,0]=3 11657 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000747449 [0,2,0,0,0,0|1,0,0]=3 11658 B14R1.1025 COC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000747449 [0,2,0,0,0,0|1,0,0]=3 11659 B14R1.1025 COC(=O)CNCc1cccc(c1)C 34a_100000185548_100000747449 [0,2,0,0,0,0|1,0,0]=3 11660 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747449 [0,2,0,0,0,0|1,0,0]=3 11661 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000747449 [0,2,0,0,0,0|1,0,0]=3 11662 B14R1.1025 COC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747449 [0,2,0,0,0,0|1,0,0]=3 11663 B14R1.1025 COC(=O)CNCc1cccc(c1)F 34a_100000174948_100000747449 [0,2,0,0,0,0|1,0,0]=3 11664 B14R1.1025 COC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747449 [0,2,0,0,0,0|1,0,0]=3 11665 B14R1.1025 COC(=O)CNCc1cccc(c1)I 34a_100000106179_100000747449 [0,2,0,0,0,0|1,0,0]=3 11666 B14R1.1025 COC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747449 [0,2,0,0,0,0|1,0,0]=3 11667 B14R1.1025 COC(=O)CNCc1cccc(c1)O 34a_100000743036_100000747449 [0,2,0,0,0,0|1,0,0]=3 11668 B14R1.1025 COC(=O)CNCc1cccc(n1)Br 2230a_100016987751_100000747449 [0,2,0,0,0,0|2,0,0]=4 11669 B14R1.1025 COC(=O)CNCc1cccc(n1)C 34a_100000701342_100000747449 [0,2,0,0,0,0|2,0,0]=4 11670 B14R1.1025 COC(=O)CNCc1cccc(n1)Cl 2230a_100016990191_100000747449 [0,2,0,0,0,0|2,0,0]=4 11671 B14R1.1025 COC(=O)CNCc1cccc(n1)F 2230a_100015188798_100000747449 [0,2,0,0,0,0|2,0,0]=4 11672 B14R1.1025 COC(=O)CNCc1cccc(n1)F 34a_100015188798_100000747449 [0,2,0,0,0,0|2,0,0]=4 11673 B14R1.1025 COC(=O)CNCc1ccnc(c1)Br 2230a_100025757509_100000747449 [0,2,0,0,0,0|2,0,0]=4 11674 B14R1.1025 COC(=O)CNCc1ccnc(c1)Br 34a_100025757509_100000747449 [0,2,0,0,0,0|2,0,0]=4 11675 B14R1.1025 COC(=O)CNCc1ccnc(c1)C 34a_100011934566_100000747449 [0,2,0,0,0,0|2,0,0]=4 11676 B14R1.1025 COC(=O)CNCc1ccnc(c1)Cl 2230a_100015205668_100000747449 [0,2,0,0,0,0|2,0,0]=4 11677 B14R1.1025 COC(=O)CNCc1ccnc(c1)Cl 34a_100015205668_100000747449 [0,2,0,0,0,0|2,0,0]=4 11678 B14R1.1025 COC(=O)CNCc1ccnc(c1)F 2230a_100015188774_100000747449 [0,2,0,0,0,0|2,0,0]=4 11679 B14R1.1025 COC(=O)CNCc1ccnc(c1)F 34a_100015188774_100000747449 [0,2,0,0,0,0|2,0,0]=4 11680 B14R1.1025 COC(=O)CNCc1cncc(c1)C 2230a_100000692839_100000747449 [0,2,0,0,0,0|2,0,0]=4 11681 B14R1.1025 COC(=O)CNCc1cncc(c1)C 34a_100000692839_100000747449 [0,2,0,0,0,0|2,0,0]=4 11682 B14R1.1025 COC(=O)CNCc1cncc(c1)Cl 2230a_200020614424_100000747449 [0,2,0,0,0,0|2,0,0]=4 11683 B14R1.1025 COC(=O)CNCc1cncc(c1)F 2230a_100011962886_100000747449 [0,2,0,0,0,0|2,0,0]=4 11684 B14R1.1025 COC(=O)CNCc1cncc(c1)F 34a_100011962886_100000747449 [0,2,0,0,0,0|2,0,0]=4 11685 B14R1.1025 COC(=O)COCc1cc(ccn1)C 34a_100011998357_100000747449 [0,2,0,0,0,0|2,0,0]=4 11686 B14R1.1025 COC(=O)COCc1cc(ccn1)Cl 34a_100000748867_100000747449 [0,2,0,0,0,0|2,0,0]=4 11687 B14R1.1025 COC(=O)COCc1cc(ccn1)N 34a_100000692640_100000747449 [0,2,0,0,0,0|2,0,0]=4 11688 B14R1.1025 COC(=O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000747449 [0,2,0,0,0,0|2,0,0]=4 11689 B14R1.1025 COC(=O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000747449 [0,2,0,0,0,0|2,0,0]=4 11690 B14R1.1025 COC(=O)COCc1cccc(c1)Br 34a_100000687537_100000747449 [0,2,0,0,0,0|1,0,0]=3 11691 B14R1.1025 COC(=O)COCc1cccc(c1)Br 7a_100000687537_100000747449 [0,2,0,0,0,0|1,0,0]=3 11692 B14R1.1025 COC(=O)COCc1cccc(c1)C 34a_100011217746_100000747449 [0,2,0,0,0,0|1,0,0]=3 11693 B14R1.1025 COC(=O)COCc1cccc(c1)C 7a_100011217746_100000747449 [0,2,0,0,0,0|1,0,0]=3 11694 B14R1.1025 COC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000747449 [0,2,0,0,0,0|1,0,0]=3 11695 B14R1.1025 COC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000747449 [0,2,0,0,0,0|1,0,0]=3 11696 B14R1.1025 COC(=O)COCc1cccc(c1)F 34a_100000210976_100000747449 [0,2,0,0,0,0|1,0,0]=3 11697 B14R1.1025 COC(=O)COCc1cccc(c1)F 7a_100000210976_100000747449 [0,2,0,0,0,0|1,0,0]=3 11698 B14R1.1025 COC(=O)COCc1cccc(c1)I 34a_100011215336_100000747449 [0,2,0,0,0,0|1,0,0]=3 11699 B14R1.1025 COC(=O)COCc1cccc(c1)I 7a_100011215336_100000747449 [0,2,0,0,0,0|1,0,0]=3 11700 B14R1.1025 COC(=O)COCc1cccc(c1)N 34a_100000211919_100000747449 [0,2,0,0,0,0|1,0,0]=3 11701 B14R1.1025 COC(=O)COCc1cccc(n1)Br 34a_100000694195_100000747449 [0,2,0,0,0,0|2,0,0]=4 11702 B14R1.1025 COC(=O)COCc1cccc(n1)C 34a_100000690600_100000747449 [0,2,0,0,0,0|2,0,0]=4 11703 B14R1.1025 COC(=O)COCc1cccc(n1)Cl 34a_100011998359_100000747449 [0,2,0,0,0,0|2,0,0]=4 11704 B14R1.1025 COC(=O)COCc1cccc(n1)F 34a_100000086748_100000747449 [0,2,0,0,0,0|2,0,0]=4 11705 B14R1.1025 COC(=O)COCc1ccnc(c1)Br 34a_100009814636_100000747449 [0,2,0,0,0,0|2,0,0]=4 11706 B14R1.1025 COC(=O)COCc1ccnc(c1)Br 7a_100009814636_100000747449 [0,2,0,0,0,0|2,0,0]=4 11707 B14R1.1025 COC(=O)COCc1ccnc(c1)C 34a_100011998630_100000747449 [0,2,0,0,0,0|2,0,0]=4 11708 B14R1.1025 COC(=O)COCc1ccnc(c1)Cl 34a_100000748751_100000747449 [0,2,0,0,0,0|2,0,0]=4 11709 B14R1.1025 COC(=O)COCc1ccnc(c1)F 34a_100000082451_100000747449 [0,2,0,0,0,0|2,0,0]=4 11710 B14R1.1025 COC(=O)COCc1cncc(c1)Br 34a_100011259137_100000747449 [0,2,0,0,0,0|2,0,0]=4 11711 B14R1.1025 COC(=O)COCc1cncc(c1)Br 7a_100011259137_100000747449 [0,2,0,0,0,0|2,0,0]=4 11712 B14R1.1025 COC(=O)COCc1cncc(c1)C 34a_100011998709_100000747449 [0,2,0,0,0,0|2,0,0]=4 11713 B14R1.1025 COC(=O)COCc1cncc(c1)C 7a_100011998709_100000747449 [0,2,0,0,0,0|2,0,0]=4 11714 B14R1.1025 COC(=O)COCc1cncc(c1)Cl 34a_100000092867_100000747449 [0,2,0,0,0,0|2,0,0]=4 11715 B14R1.1025 COC(=O)COCc1cncc(c1)Cl 7a_100000092867_100000747449 [0,2,0,0,0,0|2,0,0]=4 11716 B14R1.1025 COC(=O)COCc1cncc(c1)F 34a_100011962875_100000747449 [0,2,0,0,0,0|2,0,0]=4 11717 B14R1.1025 COC(=O)COCc1cncc(c1)F 7a_100011962875_100000747449 [0,2,0,0,0,0|2,0,0]=4 11718 B14R1.1025 COC(=O)COCc1cncc(c1)N 34a_100000085308_100000747449 [0,2,0,0,0,0|2,0,0]=4 11719 B14R1.1025 COC(=O)CSCc1cc(ccn1)Br 62a_100000747449_100010173614 [0,2,0,0,0,0|2,0,0]=4 11720 B14R1.1025 COC(=O)CSCc1cc(ccn1)Br 62a_100010173614_100000747449 [0,2,0,0,0,0|2,0,0]=4 11721 B14R1.1025 COC(=O)CSCc1cc(ccn1)C 62a_100000718516_100000747449 [0,2,0,0,0,0|2,0,0]=4 11722 B14R1.1025 COC(=O)CSCc1cc(ccn1)C 62a_100000747449_100000718516 [0,2,0,0,0,0|2,0,0]=4 11723 B14R1.1025 COC(=O)CSCc1cc(ccn1)Cl 62a_100000747449_100016988179 [0,2,0,0,0,0|2,0,0]=4 11724 B14R1.1025 COC(=O)CSCc1cc(ccn1)Cl 62a_100016988179_100000747449 [0,2,0,0,0,0|2,0,0]=4 11725 B14R1.1025 COC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747449 [0,2,0,0,0,0|1,0,0]=3 11726 B14R1.1025 COC(=O)CSCc1cccc(c1)Br 62a_100000747449_100000211773 [0,2,0,0,0,0|1,0,0]=3 11727 B14R1.1025 COC(=O)CSCc1cccc(c1)C 62a_100000211840_100000747449 [0,2,0,0,0,0|1,0,0]=3 11728 B14R1.1025 COC(=O)CSCc1cccc(c1)C 62a_100000747449_100000211840 [0,2,0,0,0,0|1,0,0]=3 11729 B14R1.1025 COC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747449 [0,2,0,0,0,0|1,0,0]=3 11730 B14R1.1025 COC(=O)CSCc1cccc(c1)Cl 62a_100000747449_100000187163 [0,2,0,0,0,0|1,0,0]=3 11731 B14R1.1025 COC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747449 [0,2,0,0,0,0|1,0,0]=3 11732 B14R1.1025 COC(=O)CSCc1cccc(c1)F 62a_100000747449_100000230114 [0,2,0,0,0,0|1,0,0]=3 11733 B14R1.1025 COC(=O)CSCc1cccc(c1)I 62a_100000747449_100011218688 [0,2,0,0,0,0|1,0,0]=3 11734 B14R1.1025 COC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747449 [0,2,0,0,0,0|1,0,0]=3 11735 B14R1.1025 COC(=O)CSCc1cccc(c1)O 62a_100000747449_100011660834 [0,2,0,0,0,0|1,0,0]=3 11736 B14R1.1025 COC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747449 [0,2,0,0,0,0|1,0,0]=3 11737 B14R1.1025 COC(=O)CSCc1cccc(n1)Br 62a_100000747449_100009889011 [0,2,0,0,0,0|2,0,0]=4 11738 B14R1.1025 COC(=O)CSCc1cccc(n1)Br 62a_100009889011_100000747449 [0,2,0,0,0,0|2,0,0]=4 11739 B14R1.1025 COC(=O)CSCc1cccc(n1)C 62a_100000747449_100000757606 [0,2,0,0,0,0|2,0,0]=4 11740 B14R1.1025 COC(=O)CSCc1cccc(n1)C 62a_100000757606_100000747449 [0,2,0,0,0,0|2,0,0]=4 11741 B14R1.1025 COC(=O)CSCc1cccc(n1)Cl 62a_100000086093_100000747449 [0,2,0,0,0,0|2,0,0]=4 11742 B14R1.1025 COC(=O)CSCc1cccc(n1)Cl 62a_100000747449_100000086093 [0,2,0,0,0,0|2,0,0]=4 11743 B14R1.1025 COC(=O)CSCc1cccc(n1)F 62a_100000747449_100009819644 [0,2,0,0,0,0|2,0,0]=4 11744 B14R1.1025 COC(=O)CSCc1cccc(n1)F 62a_100009819644_100000747449 [0,2,0,0,0,0|2,0,0]=4 11745 B14R1.1025 COC(=O)CSCc1ccnc(c1)Br 62a_100000747449_100010243470 [0,2,0,0,0,0|2,0,0]=4 11746 B14R1.1025 COC(=O)CSCc1ccnc(c1)Br 62a_100010254460_100000747449 [0,2,0,0,0,0|2,0,0]=4 11747 B14R1.1025 COC(=O)CSCc1ccnc(c1)C 62a_100000747449_200020672517 [0,2,0,0,0,0|2,0,0]=4 11748 B14R1.1025 COC(=O)CSCc1ccnc(c1)C 62a_200020672517_100000747449 [0,2,0,0,0,0|2,0,0]=4 11749 B14R1.1025 COC(=O)CSCc1ccnc(c1)Cl 62a_100000747449_100000764220 [0,2,0,0,0,0|2,0,0]=4 11750 B14R1.1025 COC(=O)CSCc1ccnc(c1)Cl 62a_100000764220_100000747449 [0,2,0,0,0,0|2,0,0]=4 11751 B14R1.1025 COC(=O)CSCc1cncc(c1)Br 62a_100000738771_100000747449 [0,2,0,0,0,0|2,0,0]=4 11752 B14R1.1025 COC(=O)CSCc1cncc(c1)Br 62a_100000747449_100000738771 [0,2,0,0,0,0|2,0,0]=4 11753 B14R1.1025 COC(=O)CSCc1cncc(c1)C 62a_100000716715_100000747449 [0,2,0,0,0,0|2,0,0]=4 11754 B14R1.1025 COC(=O)CSCc1cncc(c1)C 62a_100000747449_100000716715 [0,2,0,0,0,0|2,0,0]=4 11755 B14R1.1025 COC(=O)CSCc1cncc(c1)Cl 62a_100000747449_100016992070 [0,2,0,0,0,0|2,0,0]=4 11756 B14R1.1025 COC(=O)CSCc1cncc(c1)Cl 62a_100016992070_100000747449 [0,2,0,0,0,0|2,0,0]=4 11757 B14R1.1025 COC(=O)CSCc1cncc(c1)F 62a_100000725299_100000747449 [0,2,0,0,0,0|2,0,0]=4 11758 B14R1.1025 COC(=O)CSCc1cncc(c1)F 62a_100000747449_100000725299 [0,2,0,0,0,0|2,0,0]=4 11759 B14R1.1025 COC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000139417 [0,2,0,0,0,0|2,0,0]=4 11760 B14R1.1025 COC(=O)OCSc1cccc(c1)C 62a_100011215228_100000139417 [0,2,0,0,0,0|2,0,0]=4 11761 B14R1.1025 COC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000139417 [0,2,0,0,0,0|2,0,0]=4 11762 B14R1.1025 COC(=O)OCSc1cccc(c1)F 62a_100000685547_100000139417 [0,2,0,0,0,0|2,0,0]=4 11763 B14R1.1025 COC(=O)OCSc1cccc(c1)N 62a_100000210019_100000139417 [0,2,0,0,0,0|2,0,0]=4 11764 B14R1.1025 COC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000139417 [0,2,0,0,0,0|2,0,0]=4 11765 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO 240690a_100000749837_100000210174 [0,2,0,0,0,0|1,0,0]=3 11766 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO 527a_100000749837_100000210174 [0,2,0,0,0,0|1,0,0]=3 11767 B14R1.1025 Cc1cccc(c1)CNNC(=O)CO 22a_100000689898_100000210174 [0,2,0,0,0,0|2,0,0]=4 11768 B14R1.1025 Cc1cccc(c1)OCCC(=O)CF 1458a_100000182325_100015361967 [0,2,0,0,0,0|2,0,0]=4 11769 B14R1.1025 Cc1cccc(n1)CCNC(=O)CO 240690a_100011824523_100000210174 [0,2,0,0,0,0|2,0,0]=4 11770 B14R1.1025 Cc1cccc(n1)CCNC(=O)CO 527a_100011824523_100000210174 [0,2,0,0,0,0|2,0,0]=4 11771 B14R1.1025 O=C(CF)CCCc1cccc(c1)Br 1458a_100000685939_100015361967 [0,2,0,0,0,0|1,0,0]=3 11772 B14R1.1025 O=C(CF)CCOc1cccc(c1)Br 1458a_100000183437_100015361967 [0,2,0,0,0,0|2,0,0]=4 11773 B14R1.1025 O=C(CF)CCOc1cccc(c1)Cl 1458a_100000738917_100015361967 [0,2,0,0,0,0|2,0,0]=4 11774 B14R1.1025 O=C(CF)CCOc1cccc(c1)F 1458a_100000737089_100015361967 [0,2,0,0,0,0|2,0,0]=4 11775 B14R1.1025 O=C(CF)CSCc1cccc(c1)Cl 1458a_100000150269_100015361967 [0,2,0,0,0,0|2,0,0]=4 11776 B14R1.1025 O=C(CO)CC#Cc1cccc(c1)Br 1458a_100000210174_100010706776 [0,2,0,0,0,0|0,0,2]=4 11777 B14R1.1025 O=C(CO)CC#Cc1cccc(c1)F 1458a_100000210174_100010402994 [0,2,0,0,0,0|0,0,2]=4 11778 B14R1.1025 O=C(CO)CCCc1cccc(c1)Br 1458a_100000210174_100011713683 [0,2,0,0,0,0|0,0,0]=2 11779 B14R1.1025 O=C(CO)CCCc1cccc(c1)F 1458a_100000210174_200000698031 [0,2,0,0,0,0|0,0,0]=2 11780 B14R1.1025 O=C(CO)CCOc1cccc(c1)Br 1458a_100000210174_100000183150 [0,2,0,0,0,0|1,0,0]=3 11781 B14R1.1025 O=C(CO)CCOc1cccc(c1)Cl 1458a_100000210174_100000181161 [0,2,0,0,0,0|1,0,0]=3 11782 B14R1.1025 O=C(CO)CCOc1cccc(c1)F 1458a_100000210174_100000739188 [0,2,0,0,0,0|1,0,0]=3 11783 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br 240690a_100011207229_100000210174 [0,2,0,0,0,0|1,0,0]=3 11784 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br 527a_100011207229_100000210174 [0,2,0,0,0,0|1,0,0]=3 11785 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl 240690a_100000185263_100000210174 [0,2,0,0,0,0|1,0,0]=3 11786 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl 527a_100000185263_100000210174 [0,2,0,0,0,0|1,0,0]=3 11787 B14R1.1025 O=C(CO)NCCc1cccc(c1)F 240690a_100000205154_100000210174 [0,2,0,0,0,0|1,0,0]=3 11788 B14R1.1025 O=C(CO)NCCc1cccc(c1)F 527a_100000205154_100000210174 [0,2,0,0,0,0|1,0,0]=3 11789 B14R1.1025 O=C(CO)NCCc1cccc(c1)O 240690a_100000747277_100000210174 [0,2,0,0,0,0|1,0,0]=3 11790 B14R1.1025 O=C(CO)NCCc1cccc(c1)O 527a_100000747277_100000210174 [0,2,0,0,0,0|1,0,0]=3 11791 B14R1.1025 O=C(CO)NNCc1cccc(c1)Br 22a_100000686200_100000210174 [0,2,0,0,0,0|2,0,0]=4 11792 B14R1.1025 O=C(CO)NNCc1cccc(c1)Cl 22a_100000685877_100000210174 [0,2,0,0,0,0|2,0,0]=4 11793 B14R1.1025 O=C(CO)NNCc1cccc(c1)F 22a_100016993953_100000210174 [0,2,0,0,0,0|2,0,0]=4 11794 B14R1.1025 O=C(CO)NNCc1cccc(c1)O 22a_100000008902_100000210174 [0,2,0,0,0,0|2,0,0]=4 11795 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)Br 7a_100012047176_100000053229 [0,2,0,0,0,0|2,0,0]=4 11796 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)C 7a_100000695972_100000053229 [0,2,0,0,0,0|2,0,0]=4 11797 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000053229 [0,2,0,0,0,0|2,0,0]=4 11798 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)F 7a_100000705686_100000053229 [0,2,0,0,0,0|2,0,0]=4 11799 B14R1.4250 CC(=O)CCNc1cc(cc(c1)C)C 7a_100000210930_100000053229 [0,2,0,0,0,0|2,0,0]=4 11800 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)C 7a_100012022512_100000053229 [0,2,0,0,0,0|2,0,0]=4 11801 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000053229 [0,2,0,0,0,0|2,0,0]=4 11802 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)F 7a_100000686136_100000053229 [0,2,0,0,0,0|2,0,0]=4 11803 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)O 7a_100000123917_100000053229 [0,2,0,0,0,0|2,0,0]=4 11804 B14R1.4250 CC(=O)CCNc1cc(cc(c1)F)C 7a_100000742734_100000053229 [0,2,0,0,0,0|2,0,0]=4 11805 B14R1.4250 CC(=O)CCNc1cc(cc(c1)F)F 7a_100000233717_100000053229 [0,2,0,0,0,0|2,0,0]=4 11806 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)Br 7a_100009814763_100000053229 [0,2,0,0,0,0|2,0,0]=4 11807 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)Cl 7a_100010147676_100000053229 [0,2,0,0,0,0|2,0,0]=4 11808 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)F 7a_100011356972_100000053229 [0,2,0,0,0,0|2,0,0]=4 11809 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)I 7a_200000696836_100000053229 [0,2,0,0,0,0|2,0,0]=4 11810 B14R1.4250 CC(=O)CCNc1cc(cc(c1)O)C 7a_100011995906_100000053229 [0,2,0,0,0,0|2,0,0]=4 11811 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000053229 [0,2,0,0,0,0|2,0,0]=4 11812 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)C 7a_100011999630_100000053229 [0,2,0,0,0,0|2,0,0]=4 11813 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000053229 [0,2,0,0,0,0|2,0,0]=4 11814 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)F 7a_100000688818_100000053229 [0,2,0,0,0,0|2,0,0]=4 11815 B14R1.4250 CC(=O)CCOc1cc(cc(c1)C)C 1458a_100000070787_100000185327 [0,2,0,0,0,0|2,0,0]=4 11816 B14R1.4250 CC(=O)CCOc1cc(cc(c1)C)C 7a_100000210933_100000053229 [0,2,0,0,0,0|2,0,0]=4 11817 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000053229 [0,2,0,0,0,0|2,0,0]=4 11818 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000053229 [0,2,0,0,0,0|2,0,0]=4 11819 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000053229 [0,2,0,0,0,0|2,0,0]=4 11820 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000053229 [0,2,0,0,0,0|2,0,0]=4 11821 B14R1.4250 CC(=O)CCOc1cc(cc(c1)F)C 7a_100011830401_100000053229 [0,2,0,0,0,0|2,0,0]=4 11822 B14R1.4250 CC(=O)CCOc1cc(cc(c1)F)F 7a_100000747503_100000053229 [0,2,0,0,0,0|2,0,0]=4 11823 B14R1.4250 CC(=O)CCOc1cc(cc(c1)I)Br 7a_100010068917_100000053229 [0,2,0,0,0,0|2,0,0]=4 11824 B14R1.4250 CC(=O)CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000053229 [0,2,0,0,0,0|2,0,0]=4 11825 B14R1.4250 CC(=O)CCOc1cc(cc(c1)I)F 7a_100000717995_100000053229 [0,2,0,0,0,0|2,0,0]=4 11826 B14R1.4250 CC(=O)CCOc1cc(cc(c1)N)C 7a_100011995906_100000053229 [0,2,0,0,0,0|2,0,0]=4 11827 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Br 62a_100000053229_100009814770 [0,2,0,0,0,0|2,0,0]=4 11828 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000053229 [0,2,0,0,0,0|2,0,0]=4 11829 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100000053229_100009814755 [0,2,0,0,0,0|2,0,0]=4 11830 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000053229 [0,2,0,0,0,0|2,0,0]=4 11831 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)F 62a_100000053229_100009814764 [0,2,0,0,0,0|2,0,0]=4 11832 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)F 62a_100009814764_100000053229 [0,2,0,0,0,0|2,0,0]=4 11833 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)N 62a_100000053229_100009814763 [0,2,0,0,0,0|2,0,0]=4 11834 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)N 62a_100009814763_100000053229 [0,2,0,0,0,0|2,0,0]=4 11835 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)O 62a_100000053229_100010068917 [0,2,0,0,0,0|2,0,0]=4 11836 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)O 62a_100010068917_100000053229 [0,2,0,0,0,0|2,0,0]=4 11837 B14R1.4250 CC(=O)CCSc1cc(cc(c1)C)C 62a_100000053229_100011215608 [0,2,0,0,0,0|2,0,0]=4 11838 B14R1.4250 CC(=O)CCSc1cc(cc(c1)C)C 62a_100011215608_100000053229 [0,2,0,0,0,0|2,0,0]=4 11839 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)C 62a_100000053229_100010172791 [0,2,0,0,0,0|2,0,0]=4 11840 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000053229 [0,2,0,0,0,0|2,0,0]=4 11841 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000053229_100000747138 [0,2,0,0,0,0|2,0,0]=4 11842 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000053229 [0,2,0,0,0,0|2,0,0]=4 11843 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)F 62a_100000053229_100013859453 [0,2,0,0,0,0|2,0,0]=4 11844 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000053229 [0,2,0,0,0,0|2,0,0]=4 11845 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)N 62a_100000053229_100010147676 [0,2,0,0,0,0|2,0,0]=4 11846 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000053229 [0,2,0,0,0,0|2,0,0]=4 11847 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)O 62a_100000053229_100010068924 [0,2,0,0,0,0|2,0,0]=4 11848 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000053229 [0,2,0,0,0,0|2,0,0]=4 11849 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)C 62a_100000053229_100011356977 [0,2,0,0,0,0|2,0,0]=4 11850 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)C 62a_100011356977_100000053229 [0,2,0,0,0,0|2,0,0]=4 11851 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)F 62a_100000053229_100000233788 [0,2,0,0,0,0|2,0,0]=4 11852 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)F 62a_100000233788_100000053229 [0,2,0,0,0,0|2,0,0]=4 11853 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)N 62a_100000053229_100011356972 [0,2,0,0,0,0|2,0,0]=4 11854 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)N 62a_100011356972_100000053229 [0,2,0,0,0,0|2,0,0]=4 11855 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)O 62a_100000053229_100000688818 [0,2,0,0,0,0|2,0,0]=4 11856 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)O 62a_100000688818_100000053229 [0,2,0,0,0,0|2,0,0]=4 11857 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)C 62a_100000053229_100000695972 [0,2,0,0,0,0|2,0,0]=4 11858 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)C 62a_100000695972_100000053229 [0,2,0,0,0,0|2,0,0]=4 11859 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)N 62a_100000053229_100011999608 [0,2,0,0,0,0|2,0,0]=4 11860 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)N 62a_100011999608_100000053229 [0,2,0,0,0,0|2,0,0]=4 11861 B14R1.4250 CC(=O)CCSc1cc(cc(c1)O)C 62a_100000053229_100011999630 [0,2,0,0,0,0|2,0,0]=4 11862 B14R1.4250 CC(=O)CCSc1cc(cc(c1)O)O 62a_100000053229_100009868816 [0,2,0,0,0,0|2,0,0]=4 11863 B14R1.4250 CC(=O)COCc1cc(cc(c1)Br)Br 34a_100000211253_100011216082 [0,2,0,0,0,0|2,0,0]=4 11864 B14R1.4250 CC(=O)COCc1cc(cc(c1)Br)C 34a_100000211253_100012348363 [0,2,0,0,0,0|2,0,0]=4 11865 B14R1.4250 CC(=O)COCc1cc(cc(c1)Br)F 34a_100000211253_100000766940 [0,2,0,0,0,0|2,0,0]=4 11866 B14R1.4250 CC(=O)COCc1cc(cc(c1)C)C 34a_100000211253_100000181317 [0,2,0,0,0,0|2,0,0]=4 11867 B14R1.4250 CC(=O)COCc1cc(cc(c1)Cl)F 34a_100000211253_100011219885 [0,2,0,0,0,0|2,0,0]=4 11868 B14R1.4250 CC(=O)COCc1cc(cc(c1)F)C 34a_100000211253_100011219130 [0,2,0,0,0,0|2,0,0]=4 11869 B14R1.4250 CC(=O)COCc1cc(cc(c1)F)F 34a_100000211253_100000697002 [0,2,0,0,0,0|2,0,0]=4 11870 B14R1.4250 CC(=O)COCc1cc(cc(c1)I)Br 34a_100000211253_100010146614 [0,2,0,0,0,0|2,0,0]=4 11871 B14R1.4250 CC(=O)COCc1cc(cc(c1)I)F 34a_100000211253_100010149605 [0,2,0,0,0,0|2,0,0]=4 11872 B14R1.4250 CC(=O)CSCc1cc(cc(c1)C)C 1458a_100000150328_200000210301 [0,2,0,0,0,0|2,0,0]=4 11873 B14R1.4250 CC(=O)NCCc1cc(cc(c1)Cl)Cl 11a_100000746052_100015343762 [0,2,0,0,0,0|2,0,0]=4 11874 B14R1.4250 CC(=O)NCCc1cc(cc(c1)Cl)Cl 1626a_100000746052_100015343762 [0,2,0,0,0,0|2,0,0]=4 11875 B14R1.4250 CC(=O)NCCc1cc(cc(c1)Cl)Cl 240690a_100000746052_100015343762 [0,2,0,0,0,0|2,0,0]=4 11876 B14R1.4250 CC(=O)NCCc1cc(cc(c1)Cl)Cl 527a_100000746052_100103153847 [0,2,0,0,0,0|2,0,0]=4 11877 B14R1.4250 CC(=O)NCCc1cc(cc(c1)F)F 11a_100000748410_100015343762 [0,2,0,0,0,0|2,0,0]=4 11878 B14R1.4250 CC(=O)NCCc1cc(cc(c1)F)F 1626a_100000748410_100015343762 [0,2,0,0,0,0|2,0,0]=4 11879 B14R1.4250 CC(=O)NCCc1cc(cc(c1)F)F 240690a_100000748410_100015343762 [0,2,0,0,0,0|2,0,0]=4 11880 B14R1.4250 CC(=O)NCCc1cc(cc(c1)F)F 527a_100000748410_100103153847 [0,2,0,0,0,0|2,0,0]=4 11881 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)Br 2230a_100000711301_100012348363 [0,2,0,0,0,0|2,0,0]=4 11882 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)C 2230a_100000711301_100000181317 [0,2,0,0,0,0|2,0,0]=4 11883 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)C 2230a_100020591340_100000747473 [0,2,0,0,0,0|2,0,0]=4 11884 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)C 34a_100020591340_100000187820 [0,2,0,0,0,0|2,0,0]=4 11885 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)F 2230a_100000711301_100011219130 [0,2,0,0,0,0|2,0,0]=4 11886 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)F 2230a_100011830484_100000747473 [0,2,0,0,0,0|2,0,0]=4 11887 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)N)F 34a_100011830484_100000187820 [0,2,0,0,0,0|2,0,0]=4 11888 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)O)Br 269956a_100016091260_100012348363 [0,2,0,0,0,0|1,0,0]=3 11889 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)O)C 269956a_100016091260_100000181317 [0,2,0,0,0,0|1,0,0]=3 11890 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)O)F 269956a_100016091260_100011219130 [0,2,0,0,0,0|1,0,0]=3 11891 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)[O-])C 34a_100020591340_100020667443 [0,2,0,0,0,0|1,0,1]=4 11892 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)[O-])F 34a_100011830484_100020667443 [0,2,0,0,0,0|1,0,1]=4 11893 B14R1.4250 Cc1cc(cc(c1)COCC(=O)N)Br 34a_100000720511_100000187820 [0,2,0,0,0,0|2,0,0]=4 11894 B14R1.4250 Cc1cc(cc(c1)COCC(=O)N)Br 7a_100000720511_100000187820 [0,2,0,0,0,0|2,0,0]=4 11895 B14R1.4250 Cc1cc(cc(c1)COCC(=O)N)C 34a_100011216556_100000187820 [0,2,0,0,0,0|2,0,0]=4 11896 B14R1.4250 Cc1cc(cc(c1)COCC(=O)N)C 7a_100011216556_100000187820 [0,2,0,0,0,0|2,0,0]=4 11897 B14R1.4250 Cc1cc(cc(c1)COCC(=O)N)F 34a_100011217934_100000187820 [0,2,0,0,0,0|2,0,0]=4 11898 B14R1.4250 Cc1cc(cc(c1)COCC(=O)N)F 7a_100011217934_100000187820 [0,2,0,0,0,0|2,0,0]=4 11899 B14R1.4250 Cc1cc(cc(c1)COCC(=O)[O-])Br 34a_100000720511_100020667443 [0,2,0,0,0,0|1,0,1]=4 11900 B14R1.4250 Cc1cc(cc(c1)COCC(=O)[O-])C 34a_100011216556_100020667443 [0,2,0,0,0,0|1,0,1]=4 11901 B14R1.4250 Cc1cc(cc(c1)COCC(=O)[O-])F 34a_100011217934_100020667443 [0,2,0,0,0,0|1,0,1]=4 11902 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)N)Br 62a_100000747473_100012348363 [0,2,0,0,0,0|2,0,0]=4 11903 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)N)Br 62a_100012348363_100000747473 [0,2,0,0,0,0|2,0,0]=4 11904 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)N)C 62a_100000181317_100000747473 [0,2,0,0,0,0|2,0,0]=4 11905 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)N)C 62a_100000747473_100000181317 [0,2,0,0,0,0|2,0,0]=4 11906 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)N)F 62a_100000747473_100011219130 [0,2,0,0,0,0|2,0,0]=4 11907 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)N)F 62a_100011219130_100000747473 [0,2,0,0,0,0|2,0,0]=4 11908 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[13CH3])C 1458a_100000150328_200025704644 [0,2,0,0,0,0|2,0,0]=4 11909 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[O-])Br 62a_100012348363_100020667443 [0,2,0,0,0,0|1,0,1]=4 11910 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[O-])Br 62a_100020667443_100012348363 [0,2,0,0,0,0|1,0,1]=4 11911 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[O-])C 62a_100000181317_100020667443 [0,2,0,0,0,0|1,0,1]=4 11912 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[O-])C 62a_100020667443_100000181317 [0,2,0,0,0,0|1,0,1]=4 11913 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[O-])F 62a_100011219130_100020667443 [0,2,0,0,0,0|1,0,1]=4 11914 B14R1.4250 Cc1cc(cc(c1)CSCC(=O)[O-])F 62a_100020667443_100011219130 [0,2,0,0,0,0|1,0,1]=4 11915 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Br 34a_100000695972_100000731001 [0,2,0,0,0,0|2,0,0]=4 11916 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Br 7a_100000695972_100000744528 [0,2,0,0,0,0|2,0,0]=4 11917 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)C 2230a_100000210930_100000744528 [0,2,0,0,0,0|2,0,0]=4 11918 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)C 34a_100000210930_100000731001 [0,2,0,0,0,0|2,0,0]=4 11919 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)C 7a_100000210930_100000744528 [0,2,0,0,0,0|2,0,0]=4 11920 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Cl 2230a_100012022512_100000744528 [0,2,0,0,0,0|2,0,0]=4 11921 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Cl 34a_100012022512_100000731001 [0,2,0,0,0,0|2,0,0]=4 11922 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Cl 7a_100012022512_100000744528 [0,2,0,0,0,0|2,0,0]=4 11923 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)F 2230a_100000742734_100000744528 [0,2,0,0,0,0|2,0,0]=4 11924 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)F 34a_100000742734_100000731001 [0,2,0,0,0,0|2,0,0]=4 11925 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)F 7a_100000742734_100000744528 [0,2,0,0,0,0|2,0,0]=4 11926 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)O 34a_100011995906_100000731001 [0,2,0,0,0,0|2,0,0]=4 11927 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)O 7a_100011995906_100000744528 [0,2,0,0,0,0|2,0,0]=4 11928 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Br 34a_100011999630_100000731001 [0,2,0,0,0,0|2,0,0]=4 11929 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Br 7a_100011999630_100000744528 [0,2,0,0,0,0|2,0,0]=4 11930 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)C 34a_100000210933_100000731001 [0,2,0,0,0,0|2,0,0]=4 11931 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)C 7a_100000210933_100000744528 [0,2,0,0,0,0|2,0,0]=4 11932 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Cl 34a_100000087485_100000731001 [0,2,0,0,0,0|2,0,0]=4 11933 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Cl 7a_100000087485_100000744528 [0,2,0,0,0,0|2,0,0]=4 11934 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)F 34a_100011830401_100000731001 [0,2,0,0,0,0|2,0,0]=4 11935 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)F 7a_100011830401_100000744528 [0,2,0,0,0,0|2,0,0]=4 11936 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)N 34a_100011995906_100000731001 [0,2,0,0,0,0|2,0,0]=4 11937 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)N 7a_100011995906_100000744528 [0,2,0,0,0,0|2,0,0]=4 11938 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)C 62a_100000744528_100011215608 [0,2,0,0,0,0|2,0,0]=4 11939 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)C 62a_100011215608_100000744528 [0,2,0,0,0,0|2,0,0]=4 11940 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)Cl 62a_100000744528_100010172791 [0,2,0,0,0,0|2,0,0]=4 11941 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)Cl 62a_100010172791_100000744528 [0,2,0,0,0,0|2,0,0]=4 11942 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)F 62a_100000744528_100011356977 [0,2,0,0,0,0|2,0,0]=4 11943 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)F 62a_100011356977_100000744528 [0,2,0,0,0,0|2,0,0]=4 11944 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)N 62a_100000695972_100000744528 [0,2,0,0,0,0|2,0,0]=4 11945 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)N 62a_100000744528_100000695972 [0,2,0,0,0,0|2,0,0]=4 11946 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)O 62a_100000744528_100011999630 [0,2,0,0,0,0|2,0,0]=4 11947 B14R1.4250 Cc1cc(cc(n1)C)CNCC(=O)O 269956a_100016091260_200000139866 [0,2,0,0,0,0|2,0,0]=4 11948 B14R1.4250 Cc1cc(nc(c1)CNCC(=O)O)C 269956a_100016091260_100012357514 [0,2,0,0,0,0|2,0,0]=4 11949 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Br 27a_100000740010_100009814770 [0,2,0,0,0,0|2,0,0]=4 11950 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Br 34a_100012047176_100000731001 [0,2,0,0,0,0|2,0,0]=4 11951 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Br 7a_100012047176_100000744528 [0,2,0,0,0,0|2,0,0]=4 11952 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000731001 [0,2,0,0,0,0|2,0,0]=4 11953 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000744528 [0,2,0,0,0,0|2,0,0]=4 11954 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)F 34a_100000705686_100000731001 [0,2,0,0,0,0|2,0,0]=4 11955 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)F 7a_100000705686_100000744528 [0,2,0,0,0,0|2,0,0]=4 11956 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000731001 [0,2,0,0,0,0|2,0,0]=4 11957 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000744528 [0,2,0,0,0,0|2,0,0]=4 11958 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)F 34a_100000686136_100000731001 [0,2,0,0,0,0|2,0,0]=4 11959 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)F 7a_100000686136_100000744528 [0,2,0,0,0,0|2,0,0]=4 11960 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)O 34a_100000123917_100000731001 [0,2,0,0,0,0|2,0,0]=4 11961 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)O 7a_100000123917_100000744528 [0,2,0,0,0,0|2,0,0]=4 11962 B14R1.4250 NC(=O)CCNc1cc(cc(c1)F)F 34a_100000233717_100000731001 [0,2,0,0,0,0|2,0,0]=4 11963 B14R1.4250 NC(=O)CCNc1cc(cc(c1)F)F 7a_100000233717_100000744528 [0,2,0,0,0,0|2,0,0]=4 11964 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)Br 7a_100009814763_100000744528 [0,2,0,0,0,0|2,0,0]=4 11965 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)Cl 7a_100010147676_100000744528 [0,2,0,0,0,0|2,0,0]=4 11966 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)F 34a_100011356972_100000731001 [0,2,0,0,0,0|2,0,0]=4 11967 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)F 7a_100011356972_100000744528 [0,2,0,0,0,0|2,0,0]=4 11968 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)I 7a_200000696836_100000744528 [0,2,0,0,0,0|2,0,0]=4 11969 B14R1.4250 NC(=O)CCNc1cc(cc(c1)O)O 34a_100000043371_100000731001 [0,2,0,0,0,0|2,0,0]=4 11970 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000731001 [0,2,0,0,0,0|2,0,0]=4 11971 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000744528 [0,2,0,0,0,0|2,0,0]=4 11972 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000731001 [0,2,0,0,0,0|2,0,0]=4 11973 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000744528 [0,2,0,0,0,0|2,0,0]=4 11974 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)F 34a_100000688818_100000731001 [0,2,0,0,0,0|2,0,0]=4 11975 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)F 7a_100000688818_100000744528 [0,2,0,0,0,0|2,0,0]=4 11976 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000731001 [0,2,0,0,0,0|2,0,0]=4 11977 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000744528 [0,2,0,0,0,0|2,0,0]=4 11978 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000731001 [0,2,0,0,0,0|2,0,0]=4 11979 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000744528 [0,2,0,0,0,0|2,0,0]=4 11980 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000731001 [0,2,0,0,0,0|2,0,0]=4 11981 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000744528 [0,2,0,0,0,0|2,0,0]=4 11982 B14R1.4250 NC(=O)CCOc1cc(cc(c1)F)F 34a_100000747503_100000731001 [0,2,0,0,0,0|2,0,0]=4 11983 B14R1.4250 NC(=O)CCOc1cc(cc(c1)F)F 7a_100000747503_100000744528 [0,2,0,0,0,0|2,0,0]=4 11984 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Br 34a_100010068917_100000731001 [0,2,0,0,0,0|2,0,0]=4 11985 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Br 7a_100010068917_100000744528 [0,2,0,0,0,0|2,0,0]=4 11986 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000731001 [0,2,0,0,0,0|2,0,0]=4 11987 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000744528 [0,2,0,0,0,0|2,0,0]=4 11988 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)F 34a_100000717995_100000731001 [0,2,0,0,0,0|2,0,0]=4 11989 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)F 7a_100000717995_100000744528 [0,2,0,0,0,0|2,0,0]=4 11990 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Br 62a_100000744528_100009814770 [0,2,0,0,0,0|2,0,0]=4 11991 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000744528 [0,2,0,0,0,0|2,0,0]=4 11992 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100000744528_100009814755 [0,2,0,0,0,0|2,0,0]=4 11993 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000744528 [0,2,0,0,0,0|2,0,0]=4 11994 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)F 62a_100000744528_100009814764 [0,2,0,0,0,0|2,0,0]=4 11995 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)F 62a_100009814764_100000744528 [0,2,0,0,0,0|2,0,0]=4 11996 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)N 62a_100000744528_100009814763 [0,2,0,0,0,0|2,0,0]=4 11997 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)N 62a_100009814763_100000744528 [0,2,0,0,0,0|2,0,0]=4 11998 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)O 62a_100000744528_100010068917 [0,2,0,0,0,0|2,0,0]=4 11999 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)O 62a_100010068917_100000744528 [0,2,0,0,0,0|2,0,0]=4 12000 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000744528_100000747138 [0,2,0,0,0,0|2,0,0]=4 12001 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000744528 [0,2,0,0,0,0|2,0,0]=4 12002 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)F 62a_100000744528_100013859453 [0,2,0,0,0,0|2,0,0]=4 12003 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000744528 [0,2,0,0,0,0|2,0,0]=4 12004 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)N 62a_100000744528_100010147676 [0,2,0,0,0,0|2,0,0]=4 12005 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000744528 [0,2,0,0,0,0|2,0,0]=4 12006 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)O 62a_100000744528_100010068924 [0,2,0,0,0,0|2,0,0]=4 12007 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000744528 [0,2,0,0,0,0|2,0,0]=4 12008 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)F 62a_100000233788_100000744528 [0,2,0,0,0,0|2,0,0]=4 12009 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)F 62a_100000744528_100000233788 [0,2,0,0,0,0|2,0,0]=4 12010 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)N 62a_100000744528_100011356972 [0,2,0,0,0,0|2,0,0]=4 12011 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)N 62a_100011356972_100000744528 [0,2,0,0,0,0|2,0,0]=4 12012 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)O 62a_100000688818_100000744528 [0,2,0,0,0,0|2,0,0]=4 12013 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)O 62a_100000744528_100000688818 [0,2,0,0,0,0|2,0,0]=4 12014 B14R1.4250 NC(=O)CCSc1cc(cc(c1)N)N 62a_100000744528_100011999608 [0,2,0,0,0,0|2,0,0]=4 12015 B14R1.4250 NC(=O)CCSc1cc(cc(c1)N)N 62a_100011999608_100000744528 [0,2,0,0,0,0|2,0,0]=4 12016 B14R1.4250 NC(=O)CCSc1cc(cc(c1)O)O 62a_100000744528_100009868816 [0,2,0,0,0,0|2,0,0]=4 12017 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Br)Br 2230a_100000711301_100011216082 [0,2,0,0,0,0|2,0,0]=4 12018 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000747473 [0,2,0,0,0,0|2,0,0]=4 12019 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Br)Br 34a_100015211796_100000187820 [0,2,0,0,0,0|2,0,0]=4 12020 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Br)F 2230a_100000711301_100000766940 [0,2,0,0,0,0|2,0,0]=4 12021 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Br)F 2230a_100020611034_100000747473 [0,2,0,0,0,0|2,0,0]=4 12022 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Br)F 34a_100020611034_100000187820 [0,2,0,0,0,0|2,0,0]=4 12023 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)Cl 2230a_100000711301_100000685807 [0,2,0,0,0,0|2,0,0]=4 12024 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000747473 [0,2,0,0,0,0|2,0,0]=4 12025 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000187820 [0,2,0,0,0,0|2,0,0]=4 12026 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)F 2230a_100000711301_100011219885 [0,2,0,0,0,0|2,0,0]=4 12027 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000747473 [0,2,0,0,0,0|2,0,0]=4 12028 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)F 34a_100137329012_100000187820 [0,2,0,0,0,0|2,0,0]=4 12029 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000747473 [0,2,0,0,0,0|2,0,0]=4 12030 B14R1.4250 NC(=O)CNCc1cc(cc(c1)Cl)O 34a_107254831445_100000187820 [0,2,0,0,0,0|2,0,0]=4 12031 B14R1.4250 NC(=O)CNCc1cc(cc(c1)F)F 2230a_100000711301_100000697002 [0,2,0,0,0,0|2,0,0]=4 12032 B14R1.4250 NC(=O)CNCc1cc(cc(c1)F)F 2230a_100000737602_100000747473 [0,2,0,0,0,0|2,0,0]=4 12033 B14R1.4250 NC(=O)CNCc1cc(cc(c1)F)F 34a_100000737602_100000187820 [0,2,0,0,0,0|2,0,0]=4 12034 B14R1.4250 NC(=O)CNCc1cc(cc(c1)F)O 2230a_100160469513_100000747473 [0,2,0,0,0,0|2,0,0]=4 12035 B14R1.4250 NC(=O)CNCc1cc(cc(c1)F)O 34a_100160469513_100000187820 [0,2,0,0,0,0|2,0,0]=4 12036 B14R1.4250 NC(=O)CNCc1cc(cc(c1)I)Br 2230a_100000711301_100010146614 [0,2,0,0,0,0|2,0,0]=4 12037 B14R1.4250 NC(=O)CNCc1cc(cc(c1)I)F 2230a_100000711301_100010149605 [0,2,0,0,0,0|2,0,0]=4 12038 B14R1.4250 NC(=O)CNCc1cc(cc(c1)O)O 2230a_100159270720_100000747473 [0,2,0,0,0,0|2,0,0]=4 12039 B14R1.4250 NC(=O)CNCc1cc(cc(c1)O)O 34a_100159270720_100000187820 [0,2,0,0,0,0|2,0,0]=4 12040 B14R1.4250 NC(=O)COCc1cc(cc(c1)Br)Br 34a_100011218366_100000187820 [0,2,0,0,0,0|2,0,0]=4 12041 B14R1.4250 NC(=O)COCc1cc(cc(c1)Br)Br 7a_100011218366_100000187820 [0,2,0,0,0,0|2,0,0]=4 12042 B14R1.4250 NC(=O)COCc1cc(cc(c1)Br)Cl 34a_100012353933_100000187820 [0,2,0,0,0,0|2,0,0]=4 12043 B14R1.4250 NC(=O)COCc1cc(cc(c1)Br)Cl 7a_100012353933_100000187820 [0,2,0,0,0,0|2,0,0]=4 12044 B14R1.4250 NC(=O)COCc1cc(cc(c1)Br)F 34a_100000766897_100000187820 [0,2,0,0,0,0|2,0,0]=4 12045 B14R1.4250 NC(=O)COCc1cc(cc(c1)Br)F 7a_100000766897_100000187820 [0,2,0,0,0,0|2,0,0]=4 12046 B14R1.4250 NC(=O)COCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000187820 [0,2,0,0,0,0|2,0,0]=4 12047 B14R1.4250 NC(=O)COCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000187820 [0,2,0,0,0,0|2,0,0]=4 12048 B14R1.4250 NC(=O)COCc1cc(cc(c1)Cl)F 34a_100011217560_100000187820 [0,2,0,0,0,0|2,0,0]=4 12049 B14R1.4250 NC(=O)COCc1cc(cc(c1)Cl)F 7a_100011217560_100000187820 [0,2,0,0,0,0|2,0,0]=4 12050 B14R1.4250 NC(=O)COCc1cc(cc(c1)Cl)N 34a_100012002482_100000187820 [0,2,0,0,0,0|2,0,0]=4 12051 B14R1.4250 NC(=O)COCc1cc(cc(c1)Cl)N 7a_100012002482_100000187820 [0,2,0,0,0,0|2,0,0]=4 12052 B14R1.4250 NC(=O)COCc1cc(cc(c1)F)F 34a_100011215443_100000187820 [0,2,0,0,0,0|2,0,0]=4 12053 B14R1.4250 NC(=O)COCc1cc(cc(c1)F)F 7a_100011215443_100000187820 [0,2,0,0,0,0|2,0,0]=4 12054 B14R1.4250 NC(=O)COCc1cc(cc(c1)I)Br 7a_100009814756_100000187820 [0,2,0,0,0,0|2,0,0]=4 12055 B14R1.4250 NC(=O)COCc1cc(cc(c1)I)F 34a_100010149598_100000187820 [0,2,0,0,0,0|2,0,0]=4 12056 B14R1.4250 NC(=O)COCc1cc(cc(c1)I)F 7a_100010149598_100000187820 [0,2,0,0,0,0|2,0,0]=4 12057 B14R1.4250 NC(=O)COCc1cc(cc(c1)I)I 7a_100010205817_100000187820 [0,2,0,0,0,0|2,0,0]=4 12058 B14R1.4250 NC(=O)COCc1cc(cc(c1)N)N 34a_100000032468_100000187820 [0,2,0,0,0,0|2,0,0]=4 12059 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Br)Br 62a_100000747473_100011216082 [0,2,0,0,0,0|2,0,0]=4 12060 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Br)Br 62a_100011216082_100000747473 [0,2,0,0,0,0|2,0,0]=4 12061 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Br)F 62a_100000747473_100000766940 [0,2,0,0,0,0|2,0,0]=4 12062 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Br)F 62a_100000766940_100000747473 [0,2,0,0,0,0|2,0,0]=4 12063 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Cl)Cl 62a_100000747473_100011219208 [0,2,0,0,0,0|2,0,0]=4 12064 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000747473 [0,2,0,0,0,0|2,0,0]=4 12065 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Cl)F 62a_100000747473_100011219885 [0,2,0,0,0,0|2,0,0]=4 12066 B14R1.4250 NC(=O)CSCc1cc(cc(c1)Cl)F 62a_100011219885_100000747473 [0,2,0,0,0,0|2,0,0]=4 12067 B14R1.4250 NC(=O)CSCc1cc(cc(c1)F)F 62a_100000697002_100000747473 [0,2,0,0,0,0|2,0,0]=4 12068 B14R1.4250 NC(=O)CSCc1cc(cc(c1)F)F 62a_100000747473_100000697002 [0,2,0,0,0,0|2,0,0]=4 12069 B14R1.4250 NC(=O)CSCc1cc(cc(c1)I)Br 62a_100000747473_100010146614 [0,2,0,0,0,0|2,0,0]=4 12070 B14R1.4250 NC(=O)CSCc1cc(cc(c1)I)Br 62a_100010146614_100000747473 [0,2,0,0,0,0|2,0,0]=4 12071 B14R1.4250 NC(=O)CSCc1cc(cc(c1)I)F 62a_100000747473_100010149605 [0,2,0,0,0,0|2,0,0]=4 12072 B14R1.4250 NC(=O)CSCc1cc(cc(c1)I)F 62a_100010149605_100000747473 [0,2,0,0,0,0|2,0,0]=4 12073 B14R1.4250 Nc1cc(cc(c1)COCC(=O)[O-])Cl 34a_100012002482_100020667443 [0,2,0,0,0,0|1,0,1]=4 12074 B14R1.4250 Nc1cc(cc(c1)COCC(=O)[O-])N 34a_100000032468_100020667443 [0,2,0,0,0,0|1,0,1]=4 12075 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Br)Br 269956a_100016091260_100011216082 [0,2,0,0,0,0|1,0,0]=3 12076 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Br)F 269956a_100016091260_100000766940 [0,2,0,0,0,0|1,0,0]=3 12077 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Cl)Cl 269956a_100016091260_100011219208 [0,2,0,0,0,0|1,0,0]=3 12078 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Cl)F 269956a_100016091260_100011219885 [0,2,0,0,0,0|1,0,0]=3 12079 B14R1.4250 O=C(O)CNCc1cc(cc(c1)F)F 269956a_100016091260_100000697002 [0,2,0,0,0,0|1,0,0]=3 12080 B14R1.4250 O=C(O)CNCc1cc(cc(c1)I)Br 269956a_100016091260_100010146614 [0,2,0,0,0,0|1,0,0]=3 12081 B14R1.4250 O=C(O)CNCc1cc(cc(c1)I)F 269956a_100016091260_100010149605 [0,2,0,0,0,0|1,0,0]=3 12082 B14R1.4250 O=C(O)CNCc1cc(nc(c1)Cl)Cl 269956a_100016091260_100000052781 [0,2,0,0,0,0|2,0,0]=4 12083 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)Br)Br 34a_100015211796_100020667443 [0,2,0,0,0,0|1,0,1]=4 12084 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)Br)F 34a_100020611034_100020667443 [0,2,0,0,0,0|1,0,1]=4 12085 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100020667443 [0,2,0,0,0,0|1,0,1]=4 12086 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)Cl)F 34a_100137329012_100020667443 [0,2,0,0,0,0|1,0,1]=4 12087 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)Cl)O 34a_107254831445_100020667443 [0,2,0,0,0,0|1,0,1]=4 12088 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)F)F 34a_100000737602_100020667443 [0,2,0,0,0,0|1,0,1]=4 12089 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)F)O 34a_100160469513_100020667443 [0,2,0,0,0,0|1,0,1]=4 12090 B14R1.4250 O=C([O-])CNCc1cc(cc(c1)O)O 34a_100159270720_100020667443 [0,2,0,0,0,0|1,0,1]=4 12091 B14R1.4250 O=C([O-])COCc1cc(cc(c1)Br)Br 34a_100011218366_100020667443 [0,2,0,0,0,0|1,0,1]=4 12092 B14R1.4250 O=C([O-])COCc1cc(cc(c1)Br)Cl 34a_100012353933_100020667443 [0,2,0,0,0,0|1,0,1]=4 12093 B14R1.4250 O=C([O-])COCc1cc(cc(c1)Br)F 34a_100000766897_100020667443 [0,2,0,0,0,0|1,0,1]=4 12094 B14R1.4250 O=C([O-])COCc1cc(cc(c1)Cl)Cl 34a_100011218629_100020667443 [0,2,0,0,0,0|1,0,1]=4 12095 B14R1.4250 O=C([O-])COCc1cc(cc(c1)Cl)F 34a_100011217560_100020667443 [0,2,0,0,0,0|1,0,1]=4 12096 B14R1.4250 O=C([O-])COCc1cc(cc(c1)F)F 34a_100011215443_100020667443 [0,2,0,0,0,0|1,0,1]=4 12097 B14R1.4250 O=C([O-])COCc1cc(cc(c1)I)F 34a_100010149598_100020667443 [0,2,0,0,0,0|1,0,1]=4 12098 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Br)Br 62a_100011216082_100020667443 [0,2,0,0,0,0|1,0,1]=4 12099 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Br)Br 62a_100020667443_100011216082 [0,2,0,0,0,0|1,0,1]=4 12100 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Br)F 62a_100000766940_100020667443 [0,2,0,0,0,0|1,0,1]=4 12101 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Br)F 62a_100020667443_100000766940 [0,2,0,0,0,0|1,0,1]=4 12102 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100020667443 [0,2,0,0,0,0|1,0,1]=4 12103 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Cl)Cl 62a_100020667443_100011219208 [0,2,0,0,0,0|1,0,1]=4 12104 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Cl)F 62a_100011219885_100020667443 [0,2,0,0,0,0|1,0,1]=4 12105 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)Cl)F 62a_100020667443_100011219885 [0,2,0,0,0,0|1,0,1]=4 12106 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)F)F 62a_100000697002_100020667443 [0,2,0,0,0,0|1,0,1]=4 12107 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)F)F 62a_100020667443_100000697002 [0,2,0,0,0,0|1,0,1]=4 12108 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)I)Br 62a_100010146614_100020667443 [0,2,0,0,0,0|1,0,1]=4 12109 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)I)Br 62a_100020667443_100010146614 [0,2,0,0,0,0|1,0,1]=4 12110 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)I)F 62a_100010149605_100020667443 [0,2,0,0,0,0|1,0,1]=4 12111 B14R1.4250 O=C([O-])CSCc1cc(cc(c1)I)F 62a_100020667443_100010149605 [0,2,0,0,0,0|1,0,1]=4 12112 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Br 2230a_100000174977_100009814033 [0,2,0,0,0,0|2,0,0]=4 12113 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)C 2230a_100000185548_100009814033 [0,2,0,0,0,0|2,0,0]=4 12114 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Cl 2230a_100000174878_100009814033 [0,2,0,0,0,0|2,0,0]=4 12115 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)F 2230a_100000174948_100009814033 [0,2,0,0,0,0|2,0,0]=4 12116 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)I 2230a_100000106179_100009814033 [0,2,0,0,0,0|2,0,0]=4 12117 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100009814033 [0,2,0,0,0,0|2,0,0]=4 12118 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 34a_100000212229_100000698116 [0,2,0,0,0,0|2,0,0]=4 12119 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 7a_100000687537_100000179758 [0,2,0,0,0,0|2,0,0]=4 12120 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 34a_100000212229_100000211840 [0,2,0,0,0,0|2,0,0]=4 12121 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 7a_100011217746_100000179758 [0,2,0,0,0,0|2,0,0]=4 12122 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 34a_100000212229_100000187163 [0,2,0,0,0,0|2,0,0]=4 12123 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 7a_100000241301_100000179758 [0,2,0,0,0,0|2,0,0]=4 12124 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 34a_100000212229_100000187166 [0,2,0,0,0,0|2,0,0]=4 12125 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 7a_100000210976_100000179758 [0,2,0,0,0,0|2,0,0]=4 12126 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 34a_100000212229_100011218688 [0,2,0,0,0,0|2,0,0]=4 12127 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 7a_100011215336_100000179758 [0,2,0,0,0,0|2,0,0]=4 12128 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)O 34a_100000212229_100011660834 [0,2,0,0,0,0|2,0,0]=4 12129 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100000211773_100009814033 [0,2,0,0,0,0|2,0,0]=4 12130 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100009814033_100000211773 [0,2,0,0,0,0|2,0,0]=4 12131 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100000211840_100009814033 [0,2,0,0,0,0|2,0,0]=4 12132 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100009814033_100000211840 [0,2,0,0,0,0|2,0,0]=4 12133 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100000187163_100009814033 [0,2,0,0,0,0|2,0,0]=4 12134 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100009814033_100000187163 [0,2,0,0,0,0|2,0,0]=4 12135 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100000230114_100009814033 [0,2,0,0,0,0|2,0,0]=4 12136 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100009814033_100000230114 [0,2,0,0,0,0|2,0,0]=4 12137 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100009814033_100011218688 [0,2,0,0,0,0|2,0,0]=4 12138 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100009814033 [0,2,0,0,0,0|2,0,0]=4 12139 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100009814033_100011660834 [0,2,0,0,0,0|2,0,0]=4 12140 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100009814033 [0,2,0,0,0,0|2,0,0]=4 12141 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 11a_114849113767_100015343762 [0,2,0,0,0,0|2,0,0]=4 12142 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 1626a_114849113767_100015343762 [0,2,0,0,0,0|2,0,0]=4 12143 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 240690a_114849113767_100015343762 [0,2,0,0,0,0|2,0,0]=4 12144 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 527a_114849113767_100103153847 [0,2,0,0,0,0|2,0,0]=4 12145 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 11a_106726388433_100015343762 [0,2,0,0,0,0|2,0,0]=4 12146 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 1626a_106726388433_100015343762 [0,2,0,0,0,0|2,0,0]=4 12147 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 240690a_106726388433_100015343762 [0,2,0,0,0,0|2,0,0]=4 12148 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 527a_106726388433_100103153847 [0,2,0,0,0,0|2,0,0]=4 12149 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 11a_106726388868_100015343762 [0,2,0,0,0,0|2,0,0]=4 12150 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 1626a_106726388868_100015343762 [0,2,0,0,0,0|2,0,0]=4 12151 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 240690a_106726388868_100015343762 [0,2,0,0,0,0|2,0,0]=4 12152 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 527a_106726388868_100103153847 [0,2,0,0,0,0|2,0,0]=4 12153 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 2230a_100000174977_100000702099 [0,2,0,0,0,0|2,0,0]=4 12154 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 34a_100000174977_100000702099 [0,2,0,0,0,0|2,0,0]=4 12155 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 2230a_100000174878_100000702099 [0,2,0,0,0,0|2,0,0]=4 12156 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 34a_100000174878_100000702099 [0,2,0,0,0,0|2,0,0]=4 12157 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 2230a_100000174948_100000702099 [0,2,0,0,0,0|2,0,0]=4 12158 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 34a_100000174948_100000702099 [0,2,0,0,0,0|2,0,0]=4 12159 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 2230a_100000106179_100000702099 [0,2,0,0,0,0|2,0,0]=4 12160 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 34a_100000106179_100000702099 [0,2,0,0,0,0|2,0,0]=4 12161 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 2230a_100000743036_100000702099 [0,2,0,0,0,0|2,0,0]=4 12162 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 34a_100000743036_100000702099 [0,2,0,0,0,0|2,0,0]=4 12163 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 34a_100000687537_100000702099 [0,2,0,0,0,0|2,0,0]=4 12164 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 7a_100000687537_100000702099 [0,2,0,0,0,0|2,0,0]=4 12165 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 34a_100000241301_100000702099 [0,2,0,0,0,0|2,0,0]=4 12166 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 7a_100000241301_100000702099 [0,2,0,0,0,0|2,0,0]=4 12167 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 34a_100000210976_100000702099 [0,2,0,0,0,0|2,0,0]=4 12168 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 7a_100000210976_100000702099 [0,2,0,0,0,0|2,0,0]=4 12169 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 34a_100011215336_100000702099 [0,2,0,0,0,0|2,0,0]=4 12170 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 7a_100011215336_100000702099 [0,2,0,0,0,0|2,0,0]=4 12171 B14R1.5956 CC(OCc1cccc(c1)N)C(=O)N 34a_100000211919_100000702099 [0,2,0,0,0,0|2,0,0]=4 12172 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000211773_100000702099 [0,2,0,0,0,0|2,0,0]=4 12173 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000702099_100000211773 [0,2,0,0,0,0|2,0,0]=4 12174 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000187163_100000702099 [0,2,0,0,0,0|2,0,0]=4 12175 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000187163 [0,2,0,0,0,0|2,0,0]=4 12176 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000230114_100000702099 [0,2,0,0,0,0|2,0,0]=4 12177 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000702099_100000230114 [0,2,0,0,0,0|2,0,0]=4 12178 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100000702099_100011218688 [0,2,0,0,0,0|2,0,0]=4 12179 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100011218688_100000702099 [0,2,0,0,0,0|2,0,0]=4 12180 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100000702099_100011660834 [0,2,0,0,0,0|2,0,0]=4 12181 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000702099 [0,2,0,0,0,0|2,0,0]=4 12182 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 2230a_100000119354_100000698116 [0,2,0,0,0,0|2,0,0]=4 12183 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 270004a_100000119354_100000210085 [0,2,0,0,0,0|2,0,0]=4 12184 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 34a_100000119354_100000698116 [0,2,0,0,0,0|2,0,0]=4 12185 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 2230a_100000119354_100000181238 [0,2,0,0,0,0|2,0,0]=4 12186 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 270004a_100000119354_100000210801 [0,2,0,0,0,0|2,0,0]=4 12187 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 34a_100000119354_100000187163 [0,2,0,0,0,0|2,0,0]=4 12188 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 2230a_100000119354_100000230114 [0,2,0,0,0,0|2,0,0]=4 12189 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 270004a_100000119354_100000210812 [0,2,0,0,0,0|2,0,0]=4 12190 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 34a_100000119354_100000187166 [0,2,0,0,0,0|2,0,0]=4 12191 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 2230a_100000119354_100011218688 [0,2,0,0,0,0|2,0,0]=4 12192 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 270004a_100000119354_100000014684 [0,2,0,0,0,0|2,0,0]=4 12193 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 34a_100000119354_100011218688 [0,2,0,0,0,0|2,0,0]=4 12194 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 2230a_100000119354_100011660834 [0,2,0,0,0,0|2,0,0]=4 12195 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 270004a_100000119354_100000188321 [0,2,0,0,0,0|2,0,0]=4 12196 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 34a_100000119354_100011660834 [0,2,0,0,0,0|2,0,0]=4 12197 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 34a_100000731257_100000698116 [0,2,0,0,0,0|2,0,0]=4 12198 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 7a_100000731257_100000211773 [0,2,0,0,0,0|2,0,0]=4 12199 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 34a_100000731257_100000187163 [0,2,0,0,0,0|2,0,0]=4 12200 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 7a_100000731257_100000187163 [0,2,0,0,0,0|2,0,0]=4 12201 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 34a_100000731257_100000187166 [0,2,0,0,0,0|2,0,0]=4 12202 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 7a_100000731257_100000230114 [0,2,0,0,0,0|2,0,0]=4 12203 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 34a_100000731257_100011218688 [0,2,0,0,0,0|2,0,0]=4 12204 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 7a_100000731257_100011218688 [0,2,0,0,0,0|2,0,0]=4 12205 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 34a_100000731257_100011660834 [0,2,0,0,0,0|2,0,0]=4 12206 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 7a_100000731257_100000084143 [0,2,0,0,0,0|2,0,0]=4 12207 B14R1.5956 C[C@H](NCc1cc(ccn1)Br)C(=O)O 269956a_100000743915_100010173614 [0,2,0,0,0,0|2,0,0]=4 12208 B14R1.5956 C[C@H](NCc1cc(ccn1)Cl)C(=O)O 269956a_100000743915_100016988179 [0,2,0,0,0,0|2,0,0]=4 12209 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,2,0,0,0,0|1,0,0]=3 12210 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,2,0,0,0,0|1,0,0]=3 12211 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,2,0,0,0,0|1,0,0]=3 12212 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,2,0,0,0,0|1,0,0]=3 12213 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,2,0,0,0,0|1,0,0]=3 12214 B14R1.5956 C[C@H](NCc1cccc(n1)Br)C(=O)O 269956a_100000743915_100009889011 [0,2,0,0,0,0|2,0,0]=4 12215 B14R1.5956 C[C@H](NCc1cccc(n1)Cl)C(=O)O 269956a_100000743915_100000086093 [0,2,0,0,0,0|2,0,0]=4 12216 B14R1.5956 C[C@H](NCc1cccc(n1)F)C(=O)O 269956a_100000743915_100009819644 [0,2,0,0,0,0|2,0,0]=4 12217 B14R1.5956 C[C@H](NCc1ccnc(c1)Br)C(=O)O 269956a_100000743915_100010254460 [0,2,0,0,0,0|2,0,0]=4 12218 B14R1.5956 C[C@H](NCc1ccnc(c1)Cl)C(=O)O 269956a_100000743915_100000764220 [0,2,0,0,0,0|2,0,0]=4 12219 B14R1.5956 C[C@H](NCc1cncc(c1)Br)C(=O)O 269956a_100000743915_100000738771 [0,2,0,0,0,0|2,0,0]=4 12220 B14R1.5956 C[C@H](NCc1cncc(c1)Cl)C(=O)O 269956a_100000743915_100016992070 [0,2,0,0,0,0|2,0,0]=4 12221 B14R1.5956 C[C@H](NCc1cncc(c1)F)C(=O)O 269956a_100000743915_100000725299 [0,2,0,0,0,0|2,0,0]=4 12222 B14R1.5956 C[C@H](OCc1cccc(c1)Br)C(=O)[O-] 7a_217856618621_100000211773 [0,2,0,0,0,0|1,0,1]=4 12223 B14R1.5956 C[C@H](OCc1cccc(c1)Cl)C(=O)[O-] 7a_217856618621_100000187163 [0,2,0,0,0,0|1,0,1]=4 12224 B14R1.5956 C[C@H](OCc1cccc(c1)F)C(=O)[O-] 7a_217856618621_100000230114 [0,2,0,0,0,0|1,0,1]=4 12225 B14R1.5956 C[C@H](OCc1cccc(c1)I)C(=O)[O-] 7a_217856618621_100011218688 [0,2,0,0,0,0|1,0,1]=4 12226 B14R1.5956 C[C@H](OCc1cccc(c1)O)C(=O)[O-] 7a_217856618621_100000084143 [0,2,0,0,0,0|1,0,1]=4 12227 B14R1.5956 Cc1cc(ccn1)CN[C@@H](C)C(=O)O 269956a_100000743915_200020672517 [0,2,0,0,0,0|2,0,0]=4 12228 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 2230a_100000185548_100000702099 [0,2,0,0,0,0|2,0,0]=4 12229 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 34a_100000185548_100000702099 [0,2,0,0,0,0|2,0,0]=4 12230 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 2230a_100000185548_100009813875 [0,2,0,0,0,0|2,0,0]=4 12231 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 34a_100000185548_100009813875 [0,2,0,0,0,0|2,0,0]=4 12232 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)[O-] 34a_100000185548_100020610796 [0,2,0,0,0,0|1,0,1]=4 12233 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,2,0,0,0,0|1,0,0]=3 12234 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000211840 [0,2,0,0,0,0|2,0,0]=4 12235 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211157 [0,2,0,0,0,0|2,0,0]=4 12236 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000211840 [0,2,0,0,0,0|2,0,0]=4 12237 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 34a_100011217746_100000702099 [0,2,0,0,0,0|2,0,0]=4 12238 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 7a_100011217746_100000702099 [0,2,0,0,0,0|2,0,0]=4 12239 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 34a_100011217746_100009813875 [0,2,0,0,0,0|2,0,0]=4 12240 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 7a_100011217746_100009813875 [0,2,0,0,0,0|2,0,0]=4 12241 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)[O-] 34a_100011217746_100020610796 [0,2,0,0,0,0|1,0,1]=4 12242 B14R1.5956 Cc1cccc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211840 [0,2,0,0,0,0|1,0,1]=4 12243 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000211840 [0,2,0,0,0,0|2,0,0]=4 12244 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000211840 [0,2,0,0,0,0|2,0,0]=4 12245 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000211840_100000702099 [0,2,0,0,0,0|2,0,0]=4 12246 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211840 [0,2,0,0,0,0|2,0,0]=4 12247 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100000211840_100009813875 [0,2,0,0,0,0|2,0,0]=4 12248 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211840 [0,2,0,0,0,0|2,0,0]=4 12249 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000211840_100020610796 [0,2,0,0,0,0|1,0,1]=4 12250 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211840 [0,2,0,0,0,0|1,0,1]=4 12251 B14R1.5956 Cc1cccc(n1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000757606 [0,2,0,0,0,0|2,0,0]=4 12252 B14R1.5956 Cc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000718516 [0,2,0,0,0,0|2,0,0]=4 12253 B14R1.5956 Cc1cncc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016988603 [0,2,0,0,0,0|2,0,0]=4 12254 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 2230a_100000174977_100009813875 [0,2,0,0,0,0|2,0,0]=4 12255 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 34a_100000174977_100009813875 [0,2,0,0,0,0|2,0,0]=4 12256 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 2230a_100000174878_100009813875 [0,2,0,0,0,0|2,0,0]=4 12257 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 34a_100000174878_100009813875 [0,2,0,0,0,0|2,0,0]=4 12258 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 2230a_100000174948_100009813875 [0,2,0,0,0,0|2,0,0]=4 12259 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 34a_100000174948_100009813875 [0,2,0,0,0,0|2,0,0]=4 12260 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 2230a_100000106179_100009813875 [0,2,0,0,0,0|2,0,0]=4 12261 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 34a_100000106179_100009813875 [0,2,0,0,0,0|2,0,0]=4 12262 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 2230a_100000743036_100009813875 [0,2,0,0,0,0|2,0,0]=4 12263 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 34a_100000743036_100009813875 [0,2,0,0,0,0|2,0,0]=4 12264 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 34a_100000687537_100009813875 [0,2,0,0,0,0|2,0,0]=4 12265 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 7a_100000687537_100009813875 [0,2,0,0,0,0|2,0,0]=4 12266 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 34a_100000241301_100009813875 [0,2,0,0,0,0|2,0,0]=4 12267 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 7a_100000241301_100009813875 [0,2,0,0,0,0|2,0,0]=4 12268 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 34a_100000210976_100009813875 [0,2,0,0,0,0|2,0,0]=4 12269 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 7a_100000210976_100009813875 [0,2,0,0,0,0|2,0,0]=4 12270 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 34a_100011215336_100009813875 [0,2,0,0,0,0|2,0,0]=4 12271 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 7a_100011215336_100009813875 [0,2,0,0,0,0|2,0,0]=4 12272 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)N 34a_100000211919_100009813875 [0,2,0,0,0,0|2,0,0]=4 12273 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100000211773_100009813875 [0,2,0,0,0,0|2,0,0]=4 12274 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100009813875_100000211773 [0,2,0,0,0,0|2,0,0]=4 12275 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100000187163_100009813875 [0,2,0,0,0,0|2,0,0]=4 12276 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100009813875_100000187163 [0,2,0,0,0,0|2,0,0]=4 12277 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100000230114_100009813875 [0,2,0,0,0,0|2,0,0]=4 12278 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100009813875_100000230114 [0,2,0,0,0,0|2,0,0]=4 12279 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100009813875_100011218688 [0,2,0,0,0,0|2,0,0]=4 12280 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100011218688_100009813875 [0,2,0,0,0,0|2,0,0]=4 12281 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100009813875_100011660834 [0,2,0,0,0,0|2,0,0]=4 12282 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100011660834_100009813875 [0,2,0,0,0,0|2,0,0]=4 12283 B14R1.5956 Nc1cccc(c1)COC(F)C(=O)[O-] 34a_100000211919_100020610796 [0,2,0,0,0,0|1,0,1]=4 12284 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Br 34a_100000174977_100020610796 [0,2,0,0,0,0|1,0,1]=4 12285 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Cl 34a_100000174878_100020610796 [0,2,0,0,0,0|1,0,1]=4 12286 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)F 34a_100000174948_100020610796 [0,2,0,0,0,0|1,0,1]=4 12287 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)I 34a_100000106179_100020610796 [0,2,0,0,0,0|1,0,1]=4 12288 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)O 34a_100000743036_100020610796 [0,2,0,0,0,0|1,0,1]=4 12289 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Br 34a_100000687537_100020610796 [0,2,0,0,0,0|1,0,1]=4 12290 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Cl 34a_100000241301_100020610796 [0,2,0,0,0,0|1,0,1]=4 12291 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)F 34a_100000210976_100020610796 [0,2,0,0,0,0|1,0,1]=4 12292 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)I 34a_100011215336_100020610796 [0,2,0,0,0,0|1,0,1]=4 12293 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100000211773_100020610796 [0,2,0,0,0,0|1,0,1]=4 12294 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100020610796_100000211773 [0,2,0,0,0,0|1,0,1]=4 12295 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100000187163_100020610796 [0,2,0,0,0,0|1,0,1]=4 12296 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100020610796_100000187163 [0,2,0,0,0,0|1,0,1]=4 12297 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100000230114_100020610796 [0,2,0,0,0,0|1,0,1]=4 12298 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100020610796_100000230114 [0,2,0,0,0,0|1,0,1]=4 12299 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100011218688_100020610796 [0,2,0,0,0,0|1,0,1]=4 12300 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100020610796_100011218688 [0,2,0,0,0,0|1,0,1]=4 12301 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100011660834_100020610796 [0,2,0,0,0,0|1,0,1]=4 12302 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100020610796_100011660834 [0,2,0,0,0,0|1,0,1]=4 12303 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 2230a_100000187585_100000747473 [0,2,0,0,0,0|2,0,0]=4 12304 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 2230a_100000739694_100000698116 [0,2,0,0,0,0|2,0,0]=4 12305 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 269982a_100000187585_100000187820 [0,2,0,0,0,0|2,0,0]=4 12306 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 270004a_100000739694_100000210085 [0,2,0,0,0,0|2,0,0]=4 12307 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 2230a_100000739694_100000181238 [0,2,0,0,0,0|2,0,0]=4 12308 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 2230a_100020629429_100000747473 [0,2,0,0,0,0|2,0,0]=4 12309 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 269982a_100020629429_100000187820 [0,2,0,0,0,0|2,0,0]=4 12310 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 270004a_100000739694_100000210801 [0,2,0,0,0,0|2,0,0]=4 12311 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 2230a_100000184398_100000747473 [0,2,0,0,0,0|2,0,0]=4 12312 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 2230a_100000739694_100000230114 [0,2,0,0,0,0|2,0,0]=4 12313 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 269982a_100000184398_100000187820 [0,2,0,0,0,0|2,0,0]=4 12314 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 270004a_100000739694_100000210812 [0,2,0,0,0,0|2,0,0]=4 12315 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 34a_100000184398_100000187820 [0,2,0,0,0,0|2,0,0]=4 12316 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)I 2230a_100000739694_100011218688 [0,2,0,0,0,0|2,0,0]=4 12317 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)I 270004a_100000739694_100000014684 [0,2,0,0,0,0|2,0,0]=4 12318 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 2230a_100000207540_100000747473 [0,2,0,0,0,0|2,0,0]=4 12319 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 2230a_100000739694_100011660834 [0,2,0,0,0,0|2,0,0]=4 12320 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 269982a_100000207540_100000187820 [0,2,0,0,0,0|2,0,0]=4 12321 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 270004a_100000739694_100000188321 [0,2,0,0,0,0|2,0,0]=4 12322 B14R1.5978 CN(CC(=O)O)Cc1cc(ccn1)Br 269956a_100000746989_100010173614 [0,2,0,0,0,0|2,0,0]=4 12323 B14R1.5978 CN(CC(=O)O)Cc1cc(ccn1)Cl 269956a_100000746989_100016988179 [0,2,0,0,0,0|2,0,0]=4 12324 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746989_100000211773 [0,2,0,0,0,0|1,0,0]=3 12325 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200000210301 [0,2,0,0,0,0|1,0,0]=3 12326 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746989_100000187163 [0,2,0,0,0,0|1,0,0]=3 12327 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746989_100000230114 [0,2,0,0,0,0|1,0,0]=3 12328 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [0,2,0,0,0,0|1,0,0]=3 12329 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746989_100011660834 [0,2,0,0,0,0|1,0,0]=3 12330 B14R1.5978 CN(CC(=O)O)Cc1cccc(n1)Br 269956a_100000746989_100009889011 [0,2,0,0,0,0|2,0,0]=4 12331 B14R1.5978 CN(CC(=O)O)Cc1cccc(n1)Cl 269956a_100000746989_100000086093 [0,2,0,0,0,0|2,0,0]=4 12332 B14R1.5978 CN(CC(=O)O)Cc1cccc(n1)F 269956a_100000746989_100009819644 [0,2,0,0,0,0|2,0,0]=4 12333 B14R1.5978 CN(CC(=O)O)Cc1ccnc(c1)Br 269956a_100000746989_100010254460 [0,2,0,0,0,0|2,0,0]=4 12334 B14R1.5978 CN(CC(=O)O)Cc1ccnc(c1)Cl 269956a_100000746989_100000764220 [0,2,0,0,0,0|2,0,0]=4 12335 B14R1.5978 CN(CC(=O)O)Cc1cncc(c1)Br 269956a_100000746989_100000738771 [0,2,0,0,0,0|2,0,0]=4 12336 B14R1.5978 CN(CC(=O)O)Cc1cncc(c1)Cl 269956a_100000746989_100016992070 [0,2,0,0,0,0|2,0,0]=4 12337 B14R1.5978 CN(CC(=O)O)Cc1cncc(c1)F 269956a_100000746989_100000725299 [0,2,0,0,0,0|2,0,0]=4 12338 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)Br 269982a_100000187585_100020667443 [0,2,0,0,0,0|1,0,1]=4 12339 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)Cl 269982a_100020629429_100020667443 [0,2,0,0,0,0|1,0,1]=4 12340 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)F 269982a_100000184398_100020667443 [0,2,0,0,0,0|1,0,1]=4 12341 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)F 34a_100000184398_100020667443 [0,2,0,0,0,0|1,0,1]=4 12342 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)O 269982a_100000207540_100020667443 [0,2,0,0,0,0|1,0,1]=4 12343 B14R1.5978 Cc1cc(ccn1)CN(C)CC(=O)O 269956a_100000746989_200020672517 [0,2,0,0,0,0|2,0,0]=4 12344 B14R1.5978 Cc1cccc(c1)CC(=O)CC(=O)N 1458a_100011206899_100000187820 [0,2,0,0,0,0|1,0,1]=4 12345 B14R1.5978 Cc1cccc(c1)CC(=O)CC(=O)N 1458a_100134613110_100000211840 [0,2,0,0,0,0|1,0,1]=4 12346 B14R1.5978 Cc1cccc(c1)CC(=O)CC(=O)[O-] 1458a_100011206899_100020667443 [0,2,0,0,0,0|0,0,2]=4 12347 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 2230a_100000739694_100000211840 [0,2,0,0,0,0|2,0,0]=4 12348 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 2230a_102495364743_100000747473 [0,2,0,0,0,0|2,0,0]=4 12349 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 269982a_102495364743_100000187820 [0,2,0,0,0,0|2,0,0]=4 12350 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 270004a_100000739694_100000211157 [0,2,0,0,0,0|2,0,0]=4 12351 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 34a_102495364743_100000187820 [0,2,0,0,0,0|2,0,0]=4 12352 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000005736 [0,2,0,0,0,0|1,0,0]=3 12353 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)[O-] 269982a_102495364743_100020667443 [0,2,0,0,0,0|1,0,1]=4 12354 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)[O-] 34a_102495364743_100020667443 [0,2,0,0,0,0|1,0,1]=4 12355 B14R1.5978 Cc1cccc(n1)CN(C)CC(=O)O 269956a_100000746989_100000757606 [0,2,0,0,0,0|2,0,0]=4 12356 B14R1.5978 Cc1ccnc(c1)CN(C)CC(=O)O 269956a_100000746989_100000718516 [0,2,0,0,0,0|2,0,0]=4 12357 B14R1.5978 Cc1cncc(c1)CN(C)CC(=O)O 269956a_100000746989_100016988603 [0,2,0,0,0,0|2,0,0]=4 12358 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000187820 [0,2,0,0,0,0|1,0,1]=4 12359 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100134613110_100000211773 [0,2,0,0,0,0|1,0,1]=4 12360 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000187820 [0,2,0,0,0,0|1,0,1]=4 12361 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100134613110_100000181238 [0,2,0,0,0,0|1,0,1]=4 12362 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000187820 [0,2,0,0,0,0|1,0,1]=4 12363 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)F 1458a_100134613110_100000230114 [0,2,0,0,0,0|1,0,1]=4 12364 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000187820 [0,2,0,0,0,0|1,0,1]=4 12365 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)I 1458a_100134613110_100011218688 [0,2,0,0,0,0|1,0,1]=4 12366 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000187820 [0,2,0,0,0,0|1,0,1]=4 12367 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)O 1458a_100134613110_100011660834 [0,2,0,0,0,0|1,0,1]=4 12368 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100020667443 [0,2,0,0,0,0|0,0,2]=4 12369 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100020667443 [0,2,0,0,0,0|0,0,2]=4 12370 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)F 1458a_100000211661_100020667443 [0,2,0,0,0,0|0,0,2]=4 12371 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)I 1458a_100000238430_100020667443 [0,2,0,0,0,0|0,0,2]=4 12372 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)O 1458a_100000745134_100020667443 [0,2,0,0,0,0|0,0,2]=4 12373 B14R1.5978 [13CH3]N(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200025704644 [0,2,0,0,0,0|1,0,0]=3 12374 B14R1.6072 CC(=O)CCNc1cc(ccc1C)Br 7a_100000741167_100000053229 [0,2,0,0,0,0|2,0,0]=4 12375 B14R1.6072 CC(=O)CCNc1cc(ccc1C)C 7a_100000185781_100000053229 [0,2,0,0,0,0|2,0,0]=4 12376 B14R1.6072 CC(=O)CCNc1cc(ccc1C)Cl 7a_100000211374_100000053229 [0,2,0,0,0,0|2,0,0]=4 12377 B14R1.6072 CC(=O)CCNc1cc(ccc1C)F 7a_100000211107_100000053229 [0,2,0,0,0,0|2,0,0]=4 12378 B14R1.6072 CC(=O)CCNc1cc(ccc1C)I 7a_100000761890_100000053229 [0,2,0,0,0,0|2,0,0]=4 12379 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)Br 7a_100011220040_100000053229 [0,2,0,0,0,0|2,0,0]=4 12380 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)C 7a_100012002257_100000053229 [0,2,0,0,0,0|2,0,0]=4 12381 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)Cl 7a_100012339455_100000053229 [0,2,0,0,0,0|2,0,0]=4 12382 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)F 7a_100000690578_100000053229 [0,2,0,0,0,0|2,0,0]=4 12383 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)I 7a_100012356990_100000053229 [0,2,0,0,0,0|2,0,0]=4 12384 B14R1.6072 CC(=O)CCOc1cc(ccc1C)Br 7a_100000685420_100000053229 [0,2,0,0,0,0|2,0,0]=4 12385 B14R1.6072 CC(=O)CCOc1cc(ccc1C)C 1458a_100000183344_200000210301 [0,2,0,0,0,0|2,0,0]=4 12386 B14R1.6072 CC(=O)CCOc1cc(ccc1C)C 7a_100000210931_100000053229 [0,2,0,0,0,0|2,0,0]=4 12387 B14R1.6072 CC(=O)CCOc1cc(ccc1C)Cl 7a_100000756515_100000053229 [0,2,0,0,0,0|2,0,0]=4 12388 B14R1.6072 CC(=O)CCOc1cc(ccc1C)F 7a_100000690566_100000053229 [0,2,0,0,0,0|2,0,0]=4 12389 B14R1.6072 CC(=O)CCOc1cc(ccc1C)I 7a_100000766334_100000053229 [0,2,0,0,0,0|2,0,0]=4 12390 B14R1.6072 CC(=O)CCOc1cc(ccc1C)N 7a_100000759471_100000053229 [0,2,0,0,0,0|2,0,0]=4 12391 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)Br 7a_100000738945_100000053229 [0,2,0,0,0,0|2,0,0]=4 12392 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)C 1458a_100000070787_100011277402 [0,2,0,0,0,0|2,0,0]=4 12393 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)C 7a_100000211493_100000053229 [0,2,0,0,0,0|2,0,0]=4 12394 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)Cl 1458a_100000070787_100000198575 [0,2,0,0,0,0|2,0,0]=4 12395 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000053229 [0,2,0,0,0,0|2,0,0]=4 12396 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)F 7a_100000692107_100000053229 [0,2,0,0,0,0|2,0,0]=4 12397 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)I 7a_100011356854_100000053229 [0,2,0,0,0,0|2,0,0]=4 12398 B14R1.6072 CC(=O)CCOc1cc(ccc1F)Br 7a_100000686035_100000053229 [0,2,0,0,0,0|2,0,0]=4 12399 B14R1.6072 CC(=O)CCOc1cc(ccc1F)C 7a_100000759540_100000053229 [0,2,0,0,0,0|2,0,0]=4 12400 B14R1.6072 CC(=O)CCOc1cc(ccc1F)Cl 7a_100000757397_100000053229 [0,2,0,0,0,0|2,0,0]=4 12401 B14R1.6072 CC(=O)CCOc1cc(ccc1F)F 7a_100000752141_100000053229 [0,2,0,0,0,0|2,0,0]=4 12402 B14R1.6072 CC(=O)CCOc1cc(ccc1F)I 7a_100009958187_100000053229 [0,2,0,0,0,0|2,0,0]=4 12403 B14R1.6072 CC(=O)CCOc1cc(ccc1F)N 7a_100012017398_100000053229 [0,2,0,0,0,0|2,0,0]=4 12404 B14R1.6072 CC(=O)CCOc1cc(ccc1I)Br 7a_100012344904_100000053229 [0,2,0,0,0,0|2,0,0]=4 12405 B14R1.6072 CC(=O)CCOc1cc(ccc1I)Cl 7a_100000050036_100000053229 [0,2,0,0,0,0|2,0,0]=4 12406 B14R1.6072 CC(=O)CCOc1cc(ccc1I)F 7a_100010084537_100000053229 [0,2,0,0,0,0|2,0,0]=4 12407 B14R1.6072 CC(=O)CCOc1cc(ccc1N)Br 7a_100000739049_100000053229 [0,2,0,0,0,0|2,0,0]=4 12408 B14R1.6072 CC(=O)CCOc1cc(ccc1N)C 7a_100000211527_100000053229 [0,2,0,0,0,0|2,0,0]=4 12409 B14R1.6072 CC(=O)CCOc1cc(ccc1N)Cl 7a_100000185728_100000053229 [0,2,0,0,0,0|2,0,0]=4 12410 B14R1.6072 CC(=O)CCOc1cc(ccc1N)F 7a_100000753323_100000053229 [0,2,0,0,0,0|2,0,0]=4 12411 B14R1.6072 CC(=O)CCOc1cc(ccc1N)I 7a_100000057187_100000053229 [0,2,0,0,0,0|2,0,0]=4 12412 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Br 62a_100000053229_100011483371 [0,2,0,0,0,0|2,0,0]=4 12413 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Br 62a_100011483371_100000053229 [0,2,0,0,0,0|2,0,0]=4 12414 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)C 62a_100000053229_100012353751 [0,2,0,0,0,0|2,0,0]=4 12415 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)C 62a_100012353751_100000053229 [0,2,0,0,0,0|2,0,0]=4 12416 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Cl 62a_100000053229_100012339723 [0,2,0,0,0,0|2,0,0]=4 12417 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Cl 62a_100012339723_100000053229 [0,2,0,0,0,0|2,0,0]=4 12418 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)F 62a_100000053229_100011217576 [0,2,0,0,0,0|2,0,0]=4 12419 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)F 62a_100011217576_100000053229 [0,2,0,0,0,0|2,0,0]=4 12420 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)N 62a_100000053229_100000750459 [0,2,0,0,0,0|2,0,0]=4 12421 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)N 62a_100000750459_100000053229 [0,2,0,0,0,0|2,0,0]=4 12422 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)O 62a_100000053229_100012339312 [0,2,0,0,0,0|2,0,0]=4 12423 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)O 62a_100012339312_100000053229 [0,2,0,0,0,0|2,0,0]=4 12424 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Br 62a_100000053229_100011344865 [0,2,0,0,0,0|2,0,0]=4 12425 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Br 62a_100011344865_100000053229 [0,2,0,0,0,0|2,0,0]=4 12426 B14R1.6072 CC(=O)CCSc1cc(ccc1C)C 62a_100000053229_100000210833 [0,2,0,0,0,0|2,0,0]=4 12427 B14R1.6072 CC(=O)CCSc1cc(ccc1C)C 62a_100000210833_100000053229 [0,2,0,0,0,0|2,0,0]=4 12428 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Cl 62a_100000053229_100011263213 [0,2,0,0,0,0|2,0,0]=4 12429 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Cl 62a_100011263213_100000053229 [0,2,0,0,0,0|2,0,0]=4 12430 B14R1.6072 CC(=O)CCSc1cc(ccc1C)F 62a_100000053229_100011218078 [0,2,0,0,0,0|2,0,0]=4 12431 B14R1.6072 CC(=O)CCSc1cc(ccc1C)F 62a_100011218078_100000053229 [0,2,0,0,0,0|2,0,0]=4 12432 B14R1.6072 CC(=O)CCSc1cc(ccc1C)N 62a_100000053229_100000736455 [0,2,0,0,0,0|2,0,0]=4 12433 B14R1.6072 CC(=O)CCSc1cc(ccc1C)N 62a_100000736455_100000053229 [0,2,0,0,0,0|2,0,0]=4 12434 B14R1.6072 CC(=O)CCSc1cc(ccc1C)O 62a_100000053229_100011380479 [0,2,0,0,0,0|2,0,0]=4 12435 B14R1.6072 CC(=O)CCSc1cc(ccc1C)O 62a_100011380479_100000053229 [0,2,0,0,0,0|2,0,0]=4 12436 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Br 62a_100000053229_100011772130 [0,2,0,0,0,0|2,0,0]=4 12437 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Br 62a_100011772130_100000053229 [0,2,0,0,0,0|2,0,0]=4 12438 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)C 62a_100000053229_100012356289 [0,2,0,0,0,0|2,0,0]=4 12439 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)C 62a_100012356289_100000053229 [0,2,0,0,0,0|2,0,0]=4 12440 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Cl 1458a_100000070787_100000180180 [0,2,0,0,0,0|2,0,0]=4 12441 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000053229_100000707729 [0,2,0,0,0,0|2,0,0]=4 12442 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000053229 [0,2,0,0,0,0|2,0,0]=4 12443 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)F 62a_100000053229_100011217299 [0,2,0,0,0,0|2,0,0]=4 12444 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)F 62a_100011217299_100000053229 [0,2,0,0,0,0|2,0,0]=4 12445 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)N 62a_100000053229_100012360549 [0,2,0,0,0,0|2,0,0]=4 12446 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)N 62a_100012360549_100000053229 [0,2,0,0,0,0|2,0,0]=4 12447 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)O 62a_100000049588_100000053229 [0,2,0,0,0,0|2,0,0]=4 12448 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)O 62a_100000053229_100000049588 [0,2,0,0,0,0|2,0,0]=4 12449 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Br 62a_100000053229_100011217312 [0,2,0,0,0,0|2,0,0]=4 12450 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Br 62a_100011217312_100000053229 [0,2,0,0,0,0|2,0,0]=4 12451 B14R1.6072 CC(=O)CCSc1cc(ccc1F)C 62a_100000053229_100000736223 [0,2,0,0,0,0|2,0,0]=4 12452 B14R1.6072 CC(=O)CCSc1cc(ccc1F)C 62a_100000736223_100000053229 [0,2,0,0,0,0|2,0,0]=4 12453 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Cl 62a_100000053229_100011218116 [0,2,0,0,0,0|2,0,0]=4 12454 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Cl 62a_100011218116_100000053229 [0,2,0,0,0,0|2,0,0]=4 12455 B14R1.6072 CC(=O)CCSc1cc(ccc1F)F 62a_100000053229_100011219198 [0,2,0,0,0,0|2,0,0]=4 12456 B14R1.6072 CC(=O)CCSc1cc(ccc1F)F 62a_100011219198_100000053229 [0,2,0,0,0,0|2,0,0]=4 12457 B14R1.6072 CC(=O)CCSc1cc(ccc1F)N 62a_100000053229_100000760356 [0,2,0,0,0,0|2,0,0]=4 12458 B14R1.6072 CC(=O)CCSc1cc(ccc1F)N 62a_100000760356_100000053229 [0,2,0,0,0,0|2,0,0]=4 12459 B14R1.6072 CC(=O)CCSc1cc(ccc1F)O 62a_100000053229_100000693481 [0,2,0,0,0,0|2,0,0]=4 12460 B14R1.6072 CC(=O)CCSc1cc(ccc1F)O 62a_100000693481_100000053229 [0,2,0,0,0,0|2,0,0]=4 12461 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Br 62a_100000053229_100000187925 [0,2,0,0,0,0|2,0,0]=4 12462 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Br 62a_100000187925_100000053229 [0,2,0,0,0,0|2,0,0]=4 12463 B14R1.6072 CC(=O)CCSc1cc(ccc1N)C 62a_100000053229_100011356834 [0,2,0,0,0,0|2,0,0]=4 12464 B14R1.6072 CC(=O)CCSc1cc(ccc1N)C 62a_100011356834_100000053229 [0,2,0,0,0,0|2,0,0]=4 12465 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Cl 62a_100000053229_100000761889 [0,2,0,0,0,0|2,0,0]=4 12466 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Cl 62a_100000761889_100000053229 [0,2,0,0,0,0|2,0,0]=4 12467 B14R1.6072 CC(=O)CCSc1cc(ccc1N)F 62a_100000053229_100000760547 [0,2,0,0,0,0|2,0,0]=4 12468 B14R1.6072 CC(=O)CCSc1cc(ccc1N)F 62a_100000760547_100000053229 [0,2,0,0,0,0|2,0,0]=4 12469 B14R1.6072 CC(=O)CCSc1cc(ccc1N)N 62a_100000053229_100011534242 [0,2,0,0,0,0|2,0,0]=4 12470 B14R1.6072 CC(=O)CCSc1cc(ccc1N)N 62a_100011534242_100000053229 [0,2,0,0,0,0|2,0,0]=4 12471 B14R1.6072 CC(=O)CCSc1cc(ccc1N)O 62a_100000053229_100012001276 [0,2,0,0,0,0|2,0,0]=4 12472 B14R1.6072 CC(=O)CCSc1cc(ccc1N)O 62a_100012001276_100000053229 [0,2,0,0,0,0|2,0,0]=4 12473 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Br 62a_100000053229_100012355227 [0,2,0,0,0,0|2,0,0]=4 12474 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Br 62a_100012355227_100000053229 [0,2,0,0,0,0|2,0,0]=4 12475 B14R1.6072 CC(=O)CCSc1cc(ccc1O)C 62a_100000053229_100000765521 [0,2,0,0,0,0|2,0,0]=4 12476 B14R1.6072 CC(=O)CCSc1cc(ccc1O)C 62a_100000765521_100000053229 [0,2,0,0,0,0|2,0,0]=4 12477 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Cl 62a_100000053229_100011356953 [0,2,0,0,0,0|2,0,0]=4 12478 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Cl 62a_100011356953_100000053229 [0,2,0,0,0,0|2,0,0]=4 12479 B14R1.6072 CC(=O)CCSc1cc(ccc1O)F 62a_100000053229_100000211999 [0,2,0,0,0,0|2,0,0]=4 12480 B14R1.6072 CC(=O)CCSc1cc(ccc1O)F 62a_100000211999_100000053229 [0,2,0,0,0,0|2,0,0]=4 12481 B14R1.6072 CC(=O)CCSc1cc(ccc1O)N 62a_100000053229_100011534360 [0,2,0,0,0,0|2,0,0]=4 12482 B14R1.6072 CC(=O)CCSc1cc(ccc1O)N 62a_100011534360_100000053229 [0,2,0,0,0,0|2,0,0]=4 12483 B14R1.6072 CC(=O)CCSc1cc(ccc1O)O 62a_100000053229_100009813629 [0,2,0,0,0,0|2,0,0]=4 12484 B14R1.6072 CC(=O)COCc1cc(ccc1Br)Br 34a_100000211253_100011982794 [0,2,0,0,0,0|2,0,0]=4 12485 B14R1.6072 CC(=O)COCc1cc(ccc1Br)Cl 34a_100000211253_100000733903 [0,2,0,0,0,0|2,0,0]=4 12486 B14R1.6072 CC(=O)COCc1cc(ccc1Br)F 34a_100000211253_100000736370 [0,2,0,0,0,0|2,0,0]=4 12487 B14R1.6072 CC(=O)COCc1cc(ccc1Br)I 34a_100000211253_100012355412 [0,2,0,0,0,0|2,0,0]=4 12488 B14R1.6072 CC(=O)COCc1cc(ccc1C)C 34a_100000211253_100000184699 [0,2,0,0,0,0|2,0,0]=4 12489 B14R1.6072 CC(=O)COCc1cc(ccc1C)Cl 34a_100000211253_100012186985 [0,2,0,0,0,0|2,0,0]=4 12490 B14R1.6072 CC(=O)COCc1cc(ccc1C)F 34a_100000211253_100000709795 [0,2,0,0,0,0|2,0,0]=4 12491 B14R1.6072 CC(=O)COCc1cc(ccc1Cl)Br 34a_100000211253_100000763347 [0,2,0,0,0,0|2,0,0]=4 12492 B14R1.6072 CC(=O)COCc1cc(ccc1Cl)C 34a_100000211253_100009871730 [0,2,0,0,0,0|2,0,0]=4 12493 B14R1.6072 CC(=O)COCc1cc(ccc1Cl)Cl 34a_100000211253_100000756322 [0,2,0,0,0,0|2,0,0]=4 12494 B14R1.6072 CC(=O)COCc1cc(ccc1Cl)F 34a_100000211253_100000709952 [0,2,0,0,0,0|2,0,0]=4 12495 B14R1.6072 CC(=O)COCc1cc(ccc1Cl)I 34a_100000211253_100010188191 [0,2,0,0,0,0|2,0,0]=4 12496 B14R1.6072 CC(=O)COCc1cc(ccc1F)Br 34a_100000211253_100000736399 [0,2,0,0,0,0|2,0,0]=4 12497 B14R1.6072 CC(=O)COCc1cc(ccc1F)C 34a_100000211253_100011260760 [0,2,0,0,0,0|2,0,0]=4 12498 B14R1.6072 CC(=O)COCc1cc(ccc1F)Cl 34a_100000211253_100000716957 [0,2,0,0,0,0|2,0,0]=4 12499 B14R1.6072 CC(=O)COCc1cc(ccc1F)F 34a_100000211253_100000741279 [0,2,0,0,0,0|2,0,0]=4 12500 B14R1.6072 CC(=O)COCc1cc(ccc1F)I 34a_100000211253_200010149601 [0,2,0,0,0,0|2,0,0]=4 12501 B14R1.6072 CC(=O)COCc1cc(ccc1I)Br 34a_100000211253_100012362523 [0,2,0,0,0,0|2,0,0]=4 12502 B14R1.6072 CC(=O)COCc1cc(ccc1I)Cl 34a_100000211253_100012348826 [0,2,0,0,0,0|2,0,0]=4 12503 B14R1.6072 CC(=O)COCc1cc(ccc1I)F 34a_100000211253_100010149606 [0,2,0,0,0,0|2,0,0]=4 12504 B14R1.6072 CC(=O)COCc1cc(ccc1O)F 34a_100000211253_100010161318 [0,2,0,0,0,0|2,0,0]=4 12505 B14R1.6072 CC(=O)NCCc1cc(ccc1C)C 11a_200011485678_100015343762 [0,2,0,0,0,0|2,0,0]=4 12506 B14R1.6072 CC(=O)NCCc1cc(ccc1C)C 1626a_200011485678_100015343762 [0,2,0,0,0,0|2,0,0]=4 12507 B14R1.6072 CC(=O)NCCc1cc(ccc1C)C 240690a_200011485678_100015343762 [0,2,0,0,0,0|2,0,0]=4 12508 B14R1.6072 CC(=O)NCCc1cc(ccc1C)C 527a_200011485678_100103153847 [0,2,0,0,0,0|2,0,0]=4 12509 B14R1.6072 CC(=O)NCCc1cc(ccc1Cl)Cl 11a_100000705354_100015343762 [0,2,0,0,0,0|2,0,0]=4 12510 B14R1.6072 CC(=O)NCCc1cc(ccc1Cl)Cl 1626a_100000705354_100015343762 [0,2,0,0,0,0|2,0,0]=4 12511 B14R1.6072 CC(=O)NCCc1cc(ccc1Cl)Cl 240690a_100000705354_100015343762 [0,2,0,0,0,0|2,0,0]=4 12512 B14R1.6072 CC(=O)NCCc1cc(ccc1Cl)Cl 527a_100000705354_100103153847 [0,2,0,0,0,0|2,0,0]=4 12513 B14R1.6072 CC(=O)NCCc1cc(ccc1F)Cl 11a_200011997525_100015343762 [0,2,0,0,0,0|2,0,0]=4 12514 B14R1.6072 CC(=O)NCCc1cc(ccc1F)Cl 1626a_200011997525_100015343762 [0,2,0,0,0,0|2,0,0]=4 12515 B14R1.6072 CC(=O)NCCc1cc(ccc1F)Cl 240690a_200011997525_100015343762 [0,2,0,0,0,0|2,0,0]=4 12516 B14R1.6072 CC(=O)NCCc1cc(ccc1F)Cl 527a_200011997525_100103153847 [0,2,0,0,0,0|2,0,0]=4 12517 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)C 2230a_100000711301_100000184699 [0,2,0,0,0,0|2,0,0]=4 12518 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)C 34a_100000174964_100000187820 [0,2,0,0,0,0|2,0,0]=4 12519 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)Cl 2230a_100000711301_100009871730 [0,2,0,0,0,0|2,0,0]=4 12520 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)Cl 2230a_100025705715_100000747473 [0,2,0,0,0,0|2,0,0]=4 12521 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)Cl 34a_100025705715_100000187820 [0,2,0,0,0,0|2,0,0]=4 12522 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)F 2230a_100000711301_100011260760 [0,2,0,0,0,0|2,0,0]=4 12523 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)N)F 34a_100102693586_100000187820 [0,2,0,0,0,0|2,0,0]=4 12524 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)C 269956a_100016091260_100000184699 [0,2,0,0,0,0|1,0,0]=3 12525 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)Cl 269956a_100016091260_100009871730 [0,2,0,0,0,0|1,0,0]=3 12526 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)F 269956a_100016091260_100011260760 [0,2,0,0,0,0|1,0,0]=3 12527 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)[O-])C 34a_100000174964_100020667443 [0,2,0,0,0,0|1,0,1]=4 12528 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)[O-])Cl 34a_100025705715_100020667443 [0,2,0,0,0,0|1,0,1]=4 12529 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)[O-])F 34a_100102693586_100020667443 [0,2,0,0,0,0|1,0,1]=4 12530 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)Br 34a_100012361352_100000187820 [0,2,0,0,0,0|2,0,0]=4 12531 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)Br 7a_100012361352_100000187820 [0,2,0,0,0,0|2,0,0]=4 12532 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)C 34a_200011215349_100000187820 [0,2,0,0,0,0|2,0,0]=4 12533 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)C 7a_200011215349_100000187820 [0,2,0,0,0,0|2,0,0]=4 12534 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)Cl 34a_100009878994_100000187820 [0,2,0,0,0,0|2,0,0]=4 12535 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)Cl 7a_100009878994_100000187820 [0,2,0,0,0,0|2,0,0]=4 12536 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)F 34a_100011692775_100000187820 [0,2,0,0,0,0|2,0,0]=4 12537 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)F 7a_100011692775_100000187820 [0,2,0,0,0,0|2,0,0]=4 12538 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)N 34a_100011215565_100000187820 [0,2,0,0,0,0|2,0,0]=4 12539 B14R1.6072 Cc1ccc(c(c1)COCC(=O)N)N 7a_100011215565_100000187820 [0,2,0,0,0,0|2,0,0]=4 12540 B14R1.6072 Cc1ccc(c(c1)COCC(=O)[O-])Br 34a_100012361352_100020667443 [0,2,0,0,0,0|1,0,1]=4 12541 B14R1.6072 Cc1ccc(c(c1)COCC(=O)[O-])C 34a_200011215349_100020667443 [0,2,0,0,0,0|1,0,1]=4 12542 B14R1.6072 Cc1ccc(c(c1)COCC(=O)[O-])Cl 34a_100009878994_100020667443 [0,2,0,0,0,0|1,0,1]=4 12543 B14R1.6072 Cc1ccc(c(c1)COCC(=O)[O-])F 34a_100011692775_100020667443 [0,2,0,0,0,0|1,0,1]=4 12544 B14R1.6072 Cc1ccc(c(c1)COCC(=O)[O-])N 34a_100011215565_100020667443 [0,2,0,0,0,0|1,0,1]=4 12545 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)N)C 62a_100000184699_100000747473 [0,2,0,0,0,0|2,0,0]=4 12546 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)N)C 62a_100000747473_100000184699 [0,2,0,0,0,0|2,0,0]=4 12547 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)N)Cl 62a_100000747473_100009871730 [0,2,0,0,0,0|2,0,0]=4 12548 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)N)Cl 62a_100009871730_100000747473 [0,2,0,0,0,0|2,0,0]=4 12549 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)N)F 62a_100000747473_100011260760 [0,2,0,0,0,0|2,0,0]=4 12550 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)N)F 62a_100011260760_100000747473 [0,2,0,0,0,0|2,0,0]=4 12551 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)[O-])C 62a_100000184699_100020667443 [0,2,0,0,0,0|1,0,1]=4 12552 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)[O-])C 62a_100020667443_100000184699 [0,2,0,0,0,0|1,0,1]=4 12553 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)[O-])Cl 62a_100009871730_100020667443 [0,2,0,0,0,0|1,0,1]=4 12554 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)[O-])Cl 62a_100020667443_100009871730 [0,2,0,0,0,0|1,0,1]=4 12555 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)[O-])F 62a_100011260760_100020667443 [0,2,0,0,0,0|1,0,1]=4 12556 B14R1.6072 Cc1ccc(c(c1)CSCC(=O)[O-])F 62a_100020667443_100011260760 [0,2,0,0,0,0|1,0,1]=4 12557 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)Br 34a_100000745044_100000731001 [0,2,0,0,0,0|2,0,0]=4 12558 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)C 2230a_100000185781_100000744528 [0,2,0,0,0,0|2,0,0]=4 12559 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)C 34a_100000185781_100000731001 [0,2,0,0,0,0|2,0,0]=4 12560 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)C 7a_100000185781_100000744528 [0,2,0,0,0,0|2,0,0]=4 12561 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)Cl 34a_100011215360_100000731001 [0,2,0,0,0,0|2,0,0]=4 12562 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)F 34a_100000211285_100000731001 [0,2,0,0,0,0|2,0,0]=4 12563 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)I 34a_100011216686_100000731001 [0,2,0,0,0,0|2,0,0]=4 12564 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)O 34a_100011215204_100000731001 [0,2,0,0,0,0|2,0,0]=4 12565 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Br 34a_100012002257_100000731001 [0,2,0,0,0,0|2,0,0]=4 12566 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Br 7a_100012002257_100000744528 [0,2,0,0,0,0|2,0,0]=4 12567 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)C 34a_100000210931_100000731001 [0,2,0,0,0,0|2,0,0]=4 12568 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)C 7a_100000210931_100000744528 [0,2,0,0,0,0|2,0,0]=4 12569 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Cl 34a_100000211493_100000731001 [0,2,0,0,0,0|2,0,0]=4 12570 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Cl 7a_100000211493_100000744528 [0,2,0,0,0,0|2,0,0]=4 12571 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)F 34a_100000759540_100000731001 [0,2,0,0,0,0|2,0,0]=4 12572 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)F 7a_100000759540_100000744528 [0,2,0,0,0,0|2,0,0]=4 12573 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)N 34a_100000211527_100000731001 [0,2,0,0,0,0|2,0,0]=4 12574 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)N 7a_100000211527_100000744528 [0,2,0,0,0,0|2,0,0]=4 12575 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)[13CH3])C 1458a_100000183344_200025704644 [0,2,0,0,0,0|2,0,0]=4 12576 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Br 62a_100000744528_100012353751 [0,2,0,0,0,0|2,0,0]=4 12577 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Br 62a_100012353751_100000744528 [0,2,0,0,0,0|2,0,0]=4 12578 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)C 62a_100000210833_100000744528 [0,2,0,0,0,0|2,0,0]=4 12579 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)C 62a_100000744528_100000210833 [0,2,0,0,0,0|2,0,0]=4 12580 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Cl 62a_100000744528_100012356289 [0,2,0,0,0,0|2,0,0]=4 12581 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Cl 62a_100012356289_100000744528 [0,2,0,0,0,0|2,0,0]=4 12582 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)F 62a_100000736223_100000744528 [0,2,0,0,0,0|2,0,0]=4 12583 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)F 62a_100000744528_100000736223 [0,2,0,0,0,0|2,0,0]=4 12584 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)N 62a_100000744528_100011356834 [0,2,0,0,0,0|2,0,0]=4 12585 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)N 62a_100011356834_100000744528 [0,2,0,0,0,0|2,0,0]=4 12586 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)O 62a_100000744528_100000765521 [0,2,0,0,0,0|2,0,0]=4 12587 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)O 62a_100000765521_100000744528 [0,2,0,0,0,0|2,0,0]=4 12588 B14R1.6072 Cc1ccc(c(n1)CNCC(=O)O)Cl 269956a_100016091260_200009852033 [0,2,0,0,0,0|2,0,0]=4 12589 B14R1.6072 Cc1ccc(c(n1)CNCC(=O)O)O 269956a_100016091260_100020630696 [0,2,0,0,0,0|2,0,0]=4 12590 B14R1.6072 Cc1ccc(cc1CNCC(=O)N)Cl 2230a_100000711301_100012186985 [0,2,0,0,0,0|2,0,0]=4 12591 B14R1.6072 Cc1ccc(cc1CNCC(=O)N)Cl 34a_100000717755_100000187820 [0,2,0,0,0,0|2,0,0]=4 12592 B14R1.6072 Cc1ccc(cc1CNCC(=O)N)F 2230a_100000711301_100000709795 [0,2,0,0,0,0|2,0,0]=4 12593 B14R1.6072 Cc1ccc(cc1CNCC(=O)N)F 34a_100011217291_100000187820 [0,2,0,0,0,0|2,0,0]=4 12594 B14R1.6072 Cc1ccc(cc1CNCC(=O)N)O 34a_200009844824_100000187820 [0,2,0,0,0,0|2,0,0]=4 12595 B14R1.6072 Cc1ccc(cc1CNCC(=O)O)Cl 269956a_100016091260_100012186985 [0,2,0,0,0,0|1,0,0]=3 12596 B14R1.6072 Cc1ccc(cc1CNCC(=O)O)F 269956a_100016091260_100000709795 [0,2,0,0,0,0|1,0,0]=3 12597 B14R1.6072 Cc1ccc(cc1CNCC(=O)[O-])Cl 34a_100000717755_100020667443 [0,2,0,0,0,0|1,0,1]=4 12598 B14R1.6072 Cc1ccc(cc1CNCC(=O)[O-])F 34a_100011217291_100020667443 [0,2,0,0,0,0|1,0,1]=4 12599 B14R1.6072 Cc1ccc(cc1CNCC(=O)[O-])O 34a_200009844824_100020667443 [0,2,0,0,0,0|1,0,1]=4 12600 B14R1.6072 Cc1ccc(cc1COCC(=O)N)Br 34a_100000700630_100000187820 [0,2,0,0,0,0|2,0,0]=4 12601 B14R1.6072 Cc1ccc(cc1COCC(=O)N)Br 7a_100000700630_100000187820 [0,2,0,0,0,0|2,0,0]=4 12602 B14R1.6072 Cc1ccc(cc1COCC(=O)N)Cl 34a_100012002407_100000187820 [0,2,0,0,0,0|2,0,0]=4 12603 B14R1.6072 Cc1ccc(cc1COCC(=O)N)Cl 7a_100012002407_100000187820 [0,2,0,0,0,0|2,0,0]=4 12604 B14R1.6072 Cc1ccc(cc1COCC(=O)N)F 34a_100011219218_100000187820 [0,2,0,0,0,0|2,0,0]=4 12605 B14R1.6072 Cc1ccc(cc1COCC(=O)N)F 7a_100011219218_100000187820 [0,2,0,0,0,0|2,0,0]=4 12606 B14R1.6072 Cc1ccc(cc1COCC(=O)N)I 34a_100010150140_100000187820 [0,2,0,0,0,0|2,0,0]=4 12607 B14R1.6072 Cc1ccc(cc1COCC(=O)N)I 7a_100010150140_100000187820 [0,2,0,0,0,0|2,0,0]=4 12608 B14R1.6072 Cc1ccc(cc1COCC(=O)[O-])Br 34a_100000700630_100020667443 [0,2,0,0,0,0|1,0,1]=4 12609 B14R1.6072 Cc1ccc(cc1COCC(=O)[O-])Cl 34a_100012002407_100020667443 [0,2,0,0,0,0|1,0,1]=4 12610 B14R1.6072 Cc1ccc(cc1COCC(=O)[O-])F 34a_100011219218_100020667443 [0,2,0,0,0,0|1,0,1]=4 12611 B14R1.6072 Cc1ccc(cc1COCC(=O)[O-])I 34a_100010150140_100020667443 [0,2,0,0,0,0|1,0,1]=4 12612 B14R1.6072 Cc1ccc(cc1CSCC(=O)N)Cl 62a_100000747473_100012186985 [0,2,0,0,0,0|2,0,0]=4 12613 B14R1.6072 Cc1ccc(cc1CSCC(=O)N)Cl 62a_100012186985_100000747473 [0,2,0,0,0,0|2,0,0]=4 12614 B14R1.6072 Cc1ccc(cc1CSCC(=O)N)F 62a_100000709795_100000747473 [0,2,0,0,0,0|2,0,0]=4 12615 B14R1.6072 Cc1ccc(cc1CSCC(=O)N)F 62a_100000747473_100000709795 [0,2,0,0,0,0|2,0,0]=4 12616 B14R1.6072 Cc1ccc(cc1CSCC(=O)[O-])Cl 62a_100012186985_100020667443 [0,2,0,0,0,0|1,0,1]=4 12617 B14R1.6072 Cc1ccc(cc1CSCC(=O)[O-])Cl 62a_100020667443_100012186985 [0,2,0,0,0,0|1,0,1]=4 12618 B14R1.6072 Cc1ccc(cc1CSCC(=O)[O-])F 62a_100000709795_100020667443 [0,2,0,0,0,0|1,0,1]=4 12619 B14R1.6072 Cc1ccc(cc1CSCC(=O)[O-])F 62a_100020667443_100000709795 [0,2,0,0,0,0|1,0,1]=4 12620 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Br 34a_100000741167_100000731001 [0,2,0,0,0,0|2,0,0]=4 12621 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Br 7a_100000741167_100000744528 [0,2,0,0,0,0|2,0,0]=4 12622 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Cl 34a_100000211374_100000731001 [0,2,0,0,0,0|2,0,0]=4 12623 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Cl 7a_100000211374_100000744528 [0,2,0,0,0,0|2,0,0]=4 12624 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)F 34a_100000211107_100000731001 [0,2,0,0,0,0|2,0,0]=4 12625 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)F 7a_100000211107_100000744528 [0,2,0,0,0,0|2,0,0]=4 12626 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)I 7a_100000761890_100000744528 [0,2,0,0,0,0|2,0,0]=4 12627 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)O 34a_100011216113_100000731001 [0,2,0,0,0,0|2,0,0]=4 12628 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Br 34a_100000685420_100000731001 [0,2,0,0,0,0|2,0,0]=4 12629 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Br 7a_100000685420_100000744528 [0,2,0,0,0,0|2,0,0]=4 12630 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Cl 34a_100000756515_100000731001 [0,2,0,0,0,0|2,0,0]=4 12631 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Cl 7a_100000756515_100000744528 [0,2,0,0,0,0|2,0,0]=4 12632 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)F 34a_100000690566_100000731001 [0,2,0,0,0,0|2,0,0]=4 12633 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)F 7a_100000690566_100000744528 [0,2,0,0,0,0|2,0,0]=4 12634 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)I 7a_100000766334_100000744528 [0,2,0,0,0,0|2,0,0]=4 12635 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)N 34a_100000759471_100000731001 [0,2,0,0,0,0|2,0,0]=4 12636 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)N 7a_100000759471_100000744528 [0,2,0,0,0,0|2,0,0]=4 12637 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Br 62a_100000744528_100011344865 [0,2,0,0,0,0|2,0,0]=4 12638 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Br 62a_100011344865_100000744528 [0,2,0,0,0,0|2,0,0]=4 12639 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Cl 62a_100000744528_100011263213 [0,2,0,0,0,0|2,0,0]=4 12640 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Cl 62a_100011263213_100000744528 [0,2,0,0,0,0|2,0,0]=4 12641 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)F 62a_100000744528_100011218078 [0,2,0,0,0,0|2,0,0]=4 12642 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)F 62a_100011218078_100000744528 [0,2,0,0,0,0|2,0,0]=4 12643 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)N 62a_100000736455_100000744528 [0,2,0,0,0,0|2,0,0]=4 12644 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)N 62a_100000744528_100000736455 [0,2,0,0,0,0|2,0,0]=4 12645 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)O 62a_100000744528_100011380479 [0,2,0,0,0,0|2,0,0]=4 12646 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)O 62a_100011380479_100000744528 [0,2,0,0,0,0|2,0,0]=4 12647 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)Br 34a_100000737762_100000731001 [0,2,0,0,0,0|2,0,0]=4 12648 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)Cl 34a_100000687073_100000731001 [0,2,0,0,0,0|2,0,0]=4 12649 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)F 34a_100000687223_100000731001 [0,2,0,0,0,0|2,0,0]=4 12650 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)O 34a_100011999798_100000731001 [0,2,0,0,0,0|2,0,0]=4 12651 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)Br 34a_100000750497_100000731001 [0,2,0,0,0,0|2,0,0]=4 12652 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000731001 [0,2,0,0,0,0|2,0,0]=4 12653 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)F 34a_100000751338_100000731001 [0,2,0,0,0,0|2,0,0]=4 12654 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)I 34a_200000761891_100000731001 [0,2,0,0,0,0|2,0,0]=4 12655 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)O 34a_100011934297_100000731001 [0,2,0,0,0,0|2,0,0]=4 12656 B14R1.6072 NC(=O)CCNc1cc(ccc1F)Br 34a_100000740924_100000731001 [0,2,0,0,0,0|2,0,0]=4 12657 B14R1.6072 NC(=O)CCNc1cc(ccc1F)Cl 34a_100000212115_100000731001 [0,2,0,0,0,0|2,0,0]=4 12658 B14R1.6072 NC(=O)CCNc1cc(ccc1F)F 34a_100000210742_100000731001 [0,2,0,0,0,0|2,0,0]=4 12659 B14R1.6072 NC(=O)CCNc1cc(ccc1F)I 34a_100011464823_100000731001 [0,2,0,0,0,0|2,0,0]=4 12660 B14R1.6072 NC(=O)CCNc1cc(ccc1F)O 34a_100012017239_100000731001 [0,2,0,0,0,0|2,0,0]=4 12661 B14R1.6072 NC(=O)CCNc1cc(ccc1I)Br 34a_100000743836_100000731001 [0,2,0,0,0,0|2,0,0]=4 12662 B14R1.6072 NC(=O)CCNc1cc(ccc1I)Cl 34a_100000761886_100000731001 [0,2,0,0,0,0|2,0,0]=4 12663 B14R1.6072 NC(=O)CCNc1cc(ccc1I)F 34a_100011218093_100000731001 [0,2,0,0,0,0|2,0,0]=4 12664 B14R1.6072 NC(=O)CCNc1cc(ccc1O)Br 34a_100000752626_100000731001 [0,2,0,0,0,0|2,0,0]=4 12665 B14R1.6072 NC(=O)CCNc1cc(ccc1O)Cl 34a_100000210500_100000731001 [0,2,0,0,0,0|2,0,0]=4 12666 B14R1.6072 NC(=O)CCNc1cc(ccc1O)F 34a_100000759472_100000731001 [0,2,0,0,0,0|2,0,0]=4 12667 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Br 34a_100011220040_100000731001 [0,2,0,0,0,0|2,0,0]=4 12668 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Br 7a_100011220040_100000744528 [0,2,0,0,0,0|2,0,0]=4 12669 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Cl 34a_100012339455_100000731001 [0,2,0,0,0,0|2,0,0]=4 12670 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Cl 7a_100012339455_100000744528 [0,2,0,0,0,0|2,0,0]=4 12671 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)F 34a_100000690578_100000731001 [0,2,0,0,0,0|2,0,0]=4 12672 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)F 7a_100000690578_100000744528 [0,2,0,0,0,0|2,0,0]=4 12673 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)I 34a_100012356990_100000731001 [0,2,0,0,0,0|2,0,0]=4 12674 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)I 7a_100012356990_100000744528 [0,2,0,0,0,0|2,0,0]=4 12675 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Br 34a_100000738945_100000731001 [0,2,0,0,0,0|2,0,0]=4 12676 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Br 7a_100000738945_100000744528 [0,2,0,0,0,0|2,0,0]=4 12677 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000731001 [0,2,0,0,0,0|2,0,0]=4 12678 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000744528 [0,2,0,0,0,0|2,0,0]=4 12679 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)F 34a_100000692107_100000731001 [0,2,0,0,0,0|2,0,0]=4 12680 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)F 7a_100000692107_100000744528 [0,2,0,0,0,0|2,0,0]=4 12681 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)I 34a_100011356854_100000731001 [0,2,0,0,0,0|2,0,0]=4 12682 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)I 7a_100011356854_100000744528 [0,2,0,0,0,0|2,0,0]=4 12683 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)N 34a_100011934209_100000731001 [0,2,0,0,0,0|2,0,0]=4 12684 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Br 34a_100000686035_100000731001 [0,2,0,0,0,0|2,0,0]=4 12685 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Br 7a_100000686035_100000744528 [0,2,0,0,0,0|2,0,0]=4 12686 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Cl 34a_100000757397_100000731001 [0,2,0,0,0,0|2,0,0]=4 12687 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Cl 7a_100000757397_100000744528 [0,2,0,0,0,0|2,0,0]=4 12688 B14R1.6072 NC(=O)CCOc1cc(ccc1F)F 34a_100000752141_100000731001 [0,2,0,0,0,0|2,0,0]=4 12689 B14R1.6072 NC(=O)CCOc1cc(ccc1F)F 7a_100000752141_100000744528 [0,2,0,0,0,0|2,0,0]=4 12690 B14R1.6072 NC(=O)CCOc1cc(ccc1F)I 34a_100009958187_100000731001 [0,2,0,0,0,0|2,0,0]=4 12691 B14R1.6072 NC(=O)CCOc1cc(ccc1F)I 7a_100009958187_100000744528 [0,2,0,0,0,0|2,0,0]=4 12692 B14R1.6072 NC(=O)CCOc1cc(ccc1F)N 34a_100012017398_100000731001 [0,2,0,0,0,0|2,0,0]=4 12693 B14R1.6072 NC(=O)CCOc1cc(ccc1F)N 7a_100012017398_100000744528 [0,2,0,0,0,0|2,0,0]=4 12694 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Br 34a_100012344904_100000731001 [0,2,0,0,0,0|2,0,0]=4 12695 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Br 7a_100012344904_100000744528 [0,2,0,0,0,0|2,0,0]=4 12696 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Cl 34a_100000050036_100000731001 [0,2,0,0,0,0|2,0,0]=4 12697 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Cl 7a_100000050036_100000744528 [0,2,0,0,0,0|2,0,0]=4 12698 B14R1.6072 NC(=O)CCOc1cc(ccc1I)F 34a_100010084537_100000731001 [0,2,0,0,0,0|2,0,0]=4 12699 B14R1.6072 NC(=O)CCOc1cc(ccc1I)F 7a_100010084537_100000744528 [0,2,0,0,0,0|2,0,0]=4 12700 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Br 34a_100000739049_100000731001 [0,2,0,0,0,0|2,0,0]=4 12701 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Br 7a_100000739049_100000744528 [0,2,0,0,0,0|2,0,0]=4 12702 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Cl 34a_100000185728_100000731001 [0,2,0,0,0,0|2,0,0]=4 12703 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Cl 7a_100000185728_100000744528 [0,2,0,0,0,0|2,0,0]=4 12704 B14R1.6072 NC(=O)CCOc1cc(ccc1N)F 34a_100000753323_100000731001 [0,2,0,0,0,0|2,0,0]=4 12705 B14R1.6072 NC(=O)CCOc1cc(ccc1N)F 7a_100000753323_100000744528 [0,2,0,0,0,0|2,0,0]=4 12706 B14R1.6072 NC(=O)CCOc1cc(ccc1N)I 34a_100000057187_100000731001 [0,2,0,0,0,0|2,0,0]=4 12707 B14R1.6072 NC(=O)CCOc1cc(ccc1N)I 7a_100000057187_100000744528 [0,2,0,0,0,0|2,0,0]=4 12708 B14R1.6072 NC(=O)CCOc1cc(ccc1N)N 34a_100025717382_100000731001 [0,2,0,0,0,0|2,0,0]=4 12709 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Br 62a_100000744528_100011483371 [0,2,0,0,0,0|2,0,0]=4 12710 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Br 62a_100011483371_100000744528 [0,2,0,0,0,0|2,0,0]=4 12711 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Cl 62a_100000744528_100012339723 [0,2,0,0,0,0|2,0,0]=4 12712 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Cl 62a_100012339723_100000744528 [0,2,0,0,0,0|2,0,0]=4 12713 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)F 62a_100000744528_100011217576 [0,2,0,0,0,0|2,0,0]=4 12714 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)F 62a_100011217576_100000744528 [0,2,0,0,0,0|2,0,0]=4 12715 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)N 62a_100000744528_100000750459 [0,2,0,0,0,0|2,0,0]=4 12716 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)N 62a_100000750459_100000744528 [0,2,0,0,0,0|2,0,0]=4 12717 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)O 62a_100000744528_100012339312 [0,2,0,0,0,0|2,0,0]=4 12718 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)O 62a_100012339312_100000744528 [0,2,0,0,0,0|2,0,0]=4 12719 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Br 62a_100000744528_100011772130 [0,2,0,0,0,0|2,0,0]=4 12720 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Br 62a_100011772130_100000744528 [0,2,0,0,0,0|2,0,0]=4 12721 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000744528 [0,2,0,0,0,0|2,0,0]=4 12722 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000744528_100000707729 [0,2,0,0,0,0|2,0,0]=4 12723 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)F 62a_100000744528_100011217299 [0,2,0,0,0,0|2,0,0]=4 12724 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)F 62a_100011217299_100000744528 [0,2,0,0,0,0|2,0,0]=4 12725 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)N 62a_100000744528_100012360549 [0,2,0,0,0,0|2,0,0]=4 12726 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)N 62a_100012360549_100000744528 [0,2,0,0,0,0|2,0,0]=4 12727 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)O 62a_100000049588_100000744528 [0,2,0,0,0,0|2,0,0]=4 12728 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)O 62a_100000744528_100000049588 [0,2,0,0,0,0|2,0,0]=4 12729 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Br 62a_100000744528_100011217312 [0,2,0,0,0,0|2,0,0]=4 12730 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Br 62a_100011217312_100000744528 [0,2,0,0,0,0|2,0,0]=4 12731 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Cl 62a_100000744528_100011218116 [0,2,0,0,0,0|2,0,0]=4 12732 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Cl 62a_100011218116_100000744528 [0,2,0,0,0,0|2,0,0]=4 12733 B14R1.6072 NC(=O)CCSc1cc(ccc1F)F 62a_100000744528_100011219198 [0,2,0,0,0,0|2,0,0]=4 12734 B14R1.6072 NC(=O)CCSc1cc(ccc1F)F 62a_100011219198_100000744528 [0,2,0,0,0,0|2,0,0]=4 12735 B14R1.6072 NC(=O)CCSc1cc(ccc1F)N 62a_100000744528_100000760356 [0,2,0,0,0,0|2,0,0]=4 12736 B14R1.6072 NC(=O)CCSc1cc(ccc1F)N 62a_100000760356_100000744528 [0,2,0,0,0,0|2,0,0]=4 12737 B14R1.6072 NC(=O)CCSc1cc(ccc1F)O 62a_100000693481_100000744528 [0,2,0,0,0,0|2,0,0]=4 12738 B14R1.6072 NC(=O)CCSc1cc(ccc1F)O 62a_100000744528_100000693481 [0,2,0,0,0,0|2,0,0]=4 12739 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Br 62a_100000187925_100000744528 [0,2,0,0,0,0|2,0,0]=4 12740 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Br 62a_100000744528_100000187925 [0,2,0,0,0,0|2,0,0]=4 12741 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Cl 62a_100000744528_100000761889 [0,2,0,0,0,0|2,0,0]=4 12742 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Cl 62a_100000761889_100000744528 [0,2,0,0,0,0|2,0,0]=4 12743 B14R1.6072 NC(=O)CCSc1cc(ccc1N)F 62a_100000744528_100000760547 [0,2,0,0,0,0|2,0,0]=4 12744 B14R1.6072 NC(=O)CCSc1cc(ccc1N)F 62a_100000760547_100000744528 [0,2,0,0,0,0|2,0,0]=4 12745 B14R1.6072 NC(=O)CCSc1cc(ccc1N)N 62a_100000744528_100011534242 [0,2,0,0,0,0|2,0,0]=4 12746 B14R1.6072 NC(=O)CCSc1cc(ccc1N)N 62a_100011534242_100000744528 [0,2,0,0,0,0|2,0,0]=4 12747 B14R1.6072 NC(=O)CCSc1cc(ccc1N)O 62a_100000744528_100012001276 [0,2,0,0,0,0|2,0,0]=4 12748 B14R1.6072 NC(=O)CCSc1cc(ccc1N)O 62a_100012001276_100000744528 [0,2,0,0,0,0|2,0,0]=4 12749 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Br 62a_100000744528_100012355227 [0,2,0,0,0,0|2,0,0]=4 12750 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Br 62a_100012355227_100000744528 [0,2,0,0,0,0|2,0,0]=4 12751 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Cl 62a_100000744528_100011356953 [0,2,0,0,0,0|2,0,0]=4 12752 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Cl 62a_100011356953_100000744528 [0,2,0,0,0,0|2,0,0]=4 12753 B14R1.6072 NC(=O)CCSc1cc(ccc1O)F 62a_100000211999_100000744528 [0,2,0,0,0,0|2,0,0]=4 12754 B14R1.6072 NC(=O)CCSc1cc(ccc1O)F 62a_100000744528_100000211999 [0,2,0,0,0,0|2,0,0]=4 12755 B14R1.6072 NC(=O)CCSc1cc(ccc1O)N 62a_100000744528_100011534360 [0,2,0,0,0,0|2,0,0]=4 12756 B14R1.6072 NC(=O)CCSc1cc(ccc1O)N 62a_100011534360_100000744528 [0,2,0,0,0,0|2,0,0]=4 12757 B14R1.6072 NC(=O)CCSc1cc(ccc1O)O 62a_100000744528_100009813629 [0,2,0,0,0,0|2,0,0]=4 12758 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)Br 2230a_100000711301_100011982794 [0,2,0,0,0,0|2,0,0]=4 12759 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)Br 34a_100000707832_100000187820 [0,2,0,0,0,0|2,0,0]=4 12760 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)Cl 2230a_100000711301_100000733903 [0,2,0,0,0,0|2,0,0]=4 12761 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)F 2230a_100000711301_100000736370 [0,2,0,0,0,0|2,0,0]=4 12762 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)F 2230a_100000742738_100000747473 [0,2,0,0,0,0|2,0,0]=4 12763 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)F 34a_100000742738_100000187820 [0,2,0,0,0,0|2,0,0]=4 12764 B14R1.6072 NC(=O)CNCc1cc(ccc1Br)I 2230a_100000711301_100012355412 [0,2,0,0,0,0|2,0,0]=4 12765 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)Br 2230a_100000711301_100000763347 [0,2,0,0,0,0|2,0,0]=4 12766 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)Br 34a_100025772652_100000187820 [0,2,0,0,0,0|2,0,0]=4 12767 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)Cl 2230a_100000711301_100000756322 [0,2,0,0,0,0|2,0,0]=4 12768 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)Cl 34a_100102946428_100000187820 [0,2,0,0,0,0|2,0,0]=4 12769 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)F 2230a_100000711301_100000709952 [0,2,0,0,0,0|2,0,0]=4 12770 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)F 2230a_100011830483_100000747473 [0,2,0,0,0,0|2,0,0]=4 12771 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)F 34a_100011830483_100000187820 [0,2,0,0,0,0|2,0,0]=4 12772 B14R1.6072 NC(=O)CNCc1cc(ccc1Cl)I 2230a_100000711301_100010188191 [0,2,0,0,0,0|2,0,0]=4 12773 B14R1.6072 NC(=O)CNCc1cc(ccc1F)Br 2230a_100000711301_100000736399 [0,2,0,0,0,0|2,0,0]=4 12774 B14R1.6072 NC(=O)CNCc1cc(ccc1F)Br 34a_100009815772_100000187820 [0,2,0,0,0,0|2,0,0]=4 12775 B14R1.6072 NC(=O)CNCc1cc(ccc1F)Cl 2230a_100000711301_100000716957 [0,2,0,0,0,0|2,0,0]=4 12776 B14R1.6072 NC(=O)CNCc1cc(ccc1F)Cl 34a_100011211646_100000187820 [0,2,0,0,0,0|2,0,0]=4 12777 B14R1.6072 NC(=O)CNCc1cc(ccc1F)F 2230a_100000711301_100000741279 [0,2,0,0,0,0|2,0,0]=4 12778 B14R1.6072 NC(=O)CNCc1cc(ccc1F)F 34a_100000752317_100000187820 [0,2,0,0,0,0|2,0,0]=4 12779 B14R1.6072 NC(=O)CNCc1cc(ccc1F)I 2230a_100000711301_200010149601 [0,2,0,0,0,0|2,0,0]=4 12780 B14R1.6072 NC(=O)CNCc1cc(ccc1I)Br 2230a_100000711301_100012362523 [0,2,0,0,0,0|2,0,0]=4 12781 B14R1.6072 NC(=O)CNCc1cc(ccc1I)Cl 2230a_100000711301_100012348826 [0,2,0,0,0,0|2,0,0]=4 12782 B14R1.6072 NC(=O)CNCc1cc(ccc1I)F 2230a_100000711301_100010149606 [0,2,0,0,0,0|2,0,0]=4 12783 B14R1.6072 NC(=O)CNCc1cc(ccc1O)Br 34a_100000730032_100000187820 [0,2,0,0,0,0|2,0,0]=4 12784 B14R1.6072 NC(=O)CNCc1cc(ccc1O)Cl 34a_100000238540_100000187820 [0,2,0,0,0,0|2,0,0]=4 12785 B14R1.6072 NC(=O)COCc1cc(ccc1Br)Br 34a_100011266457_100000187820 [0,2,0,0,0,0|2,0,0]=4 12786 B14R1.6072 NC(=O)COCc1cc(ccc1Br)Br 7a_100011266457_100000187820 [0,2,0,0,0,0|2,0,0]=4 12787 B14R1.6072 NC(=O)COCc1cc(ccc1Br)Cl 34a_100012355668_100000187820 [0,2,0,0,0,0|2,0,0]=4 12788 B14R1.6072 NC(=O)COCc1cc(ccc1Br)Cl 7a_100012355668_100000187820 [0,2,0,0,0,0|2,0,0]=4 12789 B14R1.6072 NC(=O)COCc1cc(ccc1Br)F 34a_100011217561_100000187820 [0,2,0,0,0,0|2,0,0]=4 12790 B14R1.6072 NC(=O)COCc1cc(ccc1Br)F 7a_100011217561_100000187820 [0,2,0,0,0,0|2,0,0]=4 12791 B14R1.6072 NC(=O)COCc1cc(ccc1Br)I 7a_100012359683_100000187820 [0,2,0,0,0,0|2,0,0]=4 12792 B14R1.6072 NC(=O)COCc1cc(ccc1Br)N 34a_100012347228_100000187820 [0,2,0,0,0,0|2,0,0]=4 12793 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)Br 34a_100011215897_100000187820 [0,2,0,0,0,0|2,0,0]=4 12794 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)Br 7a_100011215897_100000187820 [0,2,0,0,0,0|2,0,0]=4 12795 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)Cl 34a_100000698905_100000187820 [0,2,0,0,0,0|2,0,0]=4 12796 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)Cl 7a_100000698905_100000187820 [0,2,0,0,0,0|2,0,0]=4 12797 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)F 34a_100011218361_100000187820 [0,2,0,0,0,0|2,0,0]=4 12798 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)F 7a_100011218361_100000187820 [0,2,0,0,0,0|2,0,0]=4 12799 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)I 34a_100010128486_100000187820 [0,2,0,0,0,0|2,0,0]=4 12800 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)I 7a_100010128486_100000187820 [0,2,0,0,0,0|2,0,0]=4 12801 B14R1.6072 NC(=O)COCc1cc(ccc1Cl)N 34a_100011273577_100000187820 [0,2,0,0,0,0|2,0,0]=4 12802 B14R1.6072 NC(=O)COCc1cc(ccc1F)Br 34a_100000246282_100000187820 [0,2,0,0,0,0|2,0,0]=4 12803 B14R1.6072 NC(=O)COCc1cc(ccc1F)Br 7a_100000246282_100000187820 [0,2,0,0,0,0|2,0,0]=4 12804 B14R1.6072 NC(=O)COCc1cc(ccc1F)Cl 34a_100011217248_100000187820 [0,2,0,0,0,0|2,0,0]=4 12805 B14R1.6072 NC(=O)COCc1cc(ccc1F)Cl 7a_100011217248_100000187820 [0,2,0,0,0,0|2,0,0]=4 12806 B14R1.6072 NC(=O)COCc1cc(ccc1F)F 34a_100011217725_100000187820 [0,2,0,0,0,0|2,0,0]=4 12807 B14R1.6072 NC(=O)COCc1cc(ccc1F)F 7a_100011217725_100000187820 [0,2,0,0,0,0|2,0,0]=4 12808 B14R1.6072 NC(=O)COCc1cc(ccc1F)I 34a_100000049604_100000187820 [0,2,0,0,0,0|2,0,0]=4 12809 B14R1.6072 NC(=O)COCc1cc(ccc1F)I 7a_100000049604_100000187820 [0,2,0,0,0,0|2,0,0]=4 12810 B14R1.6072 NC(=O)COCc1cc(ccc1F)N 34a_100011218011_100000187820 [0,2,0,0,0,0|2,0,0]=4 12811 B14R1.6072 NC(=O)COCc1cc(ccc1I)Br 34a_100011356890_100000187820 [0,2,0,0,0,0|2,0,0]=4 12812 B14R1.6072 NC(=O)COCc1cc(ccc1I)Br 7a_100011356890_100000187820 [0,2,0,0,0,0|2,0,0]=4 12813 B14R1.6072 NC(=O)COCc1cc(ccc1I)F 34a_100010255287_100000187820 [0,2,0,0,0,0|2,0,0]=4 12814 B14R1.6072 NC(=O)COCc1cc(ccc1I)F 7a_100010255287_100000187820 [0,2,0,0,0,0|2,0,0]=4 12815 B14R1.6072 NC(=O)COCc1cc(ccc1N)Br 34a_100012353972_100000187820 [0,2,0,0,0,0|2,0,0]=4 12816 B14R1.6072 NC(=O)COCc1cc(ccc1N)Br 7a_100012353972_100000187820 [0,2,0,0,0,0|2,0,0]=4 12817 B14R1.6072 NC(=O)COCc1cc(ccc1N)Cl 34a_100011214999_100000187820 [0,2,0,0,0,0|2,0,0]=4 12818 B14R1.6072 NC(=O)COCc1cc(ccc1N)Cl 7a_100011214999_100000187820 [0,2,0,0,0,0|2,0,0]=4 12819 B14R1.6072 NC(=O)COCc1cc(ccc1N)F 34a_100011296978_100000187820 [0,2,0,0,0,0|2,0,0]=4 12820 B14R1.6072 NC(=O)COCc1cc(ccc1N)F 7a_100011296978_100000187820 [0,2,0,0,0,0|2,0,0]=4 12821 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)Br 62a_100000747473_100011982794 [0,2,0,0,0,0|2,0,0]=4 12822 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)Br 62a_100011982794_100000747473 [0,2,0,0,0,0|2,0,0]=4 12823 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)Cl 62a_100000733903_100000747473 [0,2,0,0,0,0|2,0,0]=4 12824 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)Cl 62a_100000747473_100000733903 [0,2,0,0,0,0|2,0,0]=4 12825 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)F 62a_100000736370_100000747473 [0,2,0,0,0,0|2,0,0]=4 12826 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)F 62a_100000747473_100000736370 [0,2,0,0,0,0|2,0,0]=4 12827 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)I 62a_100000747473_100012355412 [0,2,0,0,0,0|2,0,0]=4 12828 B14R1.6072 NC(=O)CSCc1cc(ccc1Br)I 62a_100012355412_100000747473 [0,2,0,0,0,0|2,0,0]=4 12829 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)Br 62a_100000747473_100000763347 [0,2,0,0,0,0|2,0,0]=4 12830 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)Br 62a_100000763347_100000747473 [0,2,0,0,0,0|2,0,0]=4 12831 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)Cl 62a_100000747473_100000756322 [0,2,0,0,0,0|2,0,0]=4 12832 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)Cl 62a_100000756322_100000747473 [0,2,0,0,0,0|2,0,0]=4 12833 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)F 62a_100000709952_100000747473 [0,2,0,0,0,0|2,0,0]=4 12834 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)F 62a_100000747473_100000709952 [0,2,0,0,0,0|2,0,0]=4 12835 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)I 62a_100000747473_100010188191 [0,2,0,0,0,0|2,0,0]=4 12836 B14R1.6072 NC(=O)CSCc1cc(ccc1Cl)I 62a_100010188191_100000747473 [0,2,0,0,0,0|2,0,0]=4 12837 B14R1.6072 NC(=O)CSCc1cc(ccc1F)Br 62a_100000736399_100000747473 [0,2,0,0,0,0|2,0,0]=4 12838 B14R1.6072 NC(=O)CSCc1cc(ccc1F)Br 62a_100000747473_100000736399 [0,2,0,0,0,0|2,0,0]=4 12839 B14R1.6072 NC(=O)CSCc1cc(ccc1F)Cl 62a_100000716957_100000747473 [0,2,0,0,0,0|2,0,0]=4 12840 B14R1.6072 NC(=O)CSCc1cc(ccc1F)Cl 62a_100000747473_100000716957 [0,2,0,0,0,0|2,0,0]=4 12841 B14R1.6072 NC(=O)CSCc1cc(ccc1F)F 62a_100000685659_100000747473 [0,2,0,0,0,0|2,0,0]=4 12842 B14R1.6072 NC(=O)CSCc1cc(ccc1F)F 62a_100000747473_100000685659 [0,2,0,0,0,0|2,0,0]=4 12843 B14R1.6072 NC(=O)CSCc1cc(ccc1F)I 62a_100000747473_200010149601 [0,2,0,0,0,0|2,0,0]=4 12844 B14R1.6072 NC(=O)CSCc1cc(ccc1F)I 62a_200010149601_100000747473 [0,2,0,0,0,0|2,0,0]=4 12845 B14R1.6072 NC(=O)CSCc1cc(ccc1I)Br 62a_100000747473_100012362523 [0,2,0,0,0,0|2,0,0]=4 12846 B14R1.6072 NC(=O)CSCc1cc(ccc1I)Br 62a_100012362523_100000747473 [0,2,0,0,0,0|2,0,0]=4 12847 B14R1.6072 NC(=O)CSCc1cc(ccc1I)Cl 62a_100000747473_100012348826 [0,2,0,0,0,0|2,0,0]=4 12848 B14R1.6072 NC(=O)CSCc1cc(ccc1I)Cl 62a_100012348826_100000747473 [0,2,0,0,0,0|2,0,0]=4 12849 B14R1.6072 NC(=O)CSCc1cc(ccc1I)F 62a_100000747473_100010149606 [0,2,0,0,0,0|2,0,0]=4 12850 B14R1.6072 NC(=O)CSCc1cc(ccc1I)F 62a_100010149606_100000747473 [0,2,0,0,0,0|2,0,0]=4 12851 B14R1.6072 NC(=O)CSCc1cc(ccc1O)F 62a_100000747473_100010161318 [0,2,0,0,0,0|2,0,0]=4 12852 B14R1.6072 NC(=O)CSCc1cc(ccc1O)F 62a_100010161318_100000747473 [0,2,0,0,0,0|2,0,0]=4 12853 B14R1.6072 Nc1ccc(c(c1)COCC(=O)[O-])Br 34a_100012347228_100020667443 [0,2,0,0,0,0|1,0,1]=4 12854 B14R1.6072 Nc1ccc(c(c1)COCC(=O)[O-])Cl 34a_100011273577_100020667443 [0,2,0,0,0,0|1,0,1]=4 12855 B14R1.6072 Nc1ccc(c(c1)COCC(=O)[O-])F 34a_100011218011_100020667443 [0,2,0,0,0,0|1,0,1]=4 12856 B14R1.6072 Nc1ccc(cc1COCC(=O)[O-])Br 34a_100012353972_100020667443 [0,2,0,0,0,0|1,0,1]=4 12857 B14R1.6072 Nc1ccc(cc1COCC(=O)[O-])Cl 34a_100011214999_100020667443 [0,2,0,0,0,0|1,0,1]=4 12858 B14R1.6072 Nc1ccc(cc1COCC(=O)[O-])F 34a_100011296978_100020667443 [0,2,0,0,0,0|1,0,1]=4 12859 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)Br 269956a_100016091260_100011982794 [0,2,0,0,0,0|1,0,0]=3 12860 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)Cl 269956a_100016091260_100000733903 [0,2,0,0,0,0|1,0,0]=3 12861 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)F 269956a_100016091260_100000736370 [0,2,0,0,0,0|1,0,0]=3 12862 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)I 269956a_100016091260_100012355412 [0,2,0,0,0,0|1,0,0]=3 12863 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)Br 269956a_100016091260_100000763347 [0,2,0,0,0,0|1,0,0]=3 12864 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)Cl 269956a_100016091260_100000754809 [0,2,0,0,0,0|1,0,0]=3 12865 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)F 269956a_100016091260_100000709952 [0,2,0,0,0,0|1,0,0]=3 12866 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)I 269956a_100016091260_100010188191 [0,2,0,0,0,0|1,0,0]=3 12867 B14R1.6072 O=C(O)CNCc1cc(ccc1F)Br 269956a_100016091260_100000736399 [0,2,0,0,0,0|1,0,0]=3 12868 B14R1.6072 O=C(O)CNCc1cc(ccc1F)Cl 269956a_100016091260_100000716957 [0,2,0,0,0,0|1,0,0]=3 12869 B14R1.6072 O=C(O)CNCc1cc(ccc1F)F 269956a_100016091260_100000685659 [0,2,0,0,0,0|1,0,0]=3 12870 B14R1.6072 O=C(O)CNCc1cc(ccc1F)I 269956a_100016091260_200010149601 [0,2,0,0,0,0|1,0,0]=3 12871 B14R1.6072 O=C(O)CNCc1cc(ccc1I)Br 269956a_100016091260_100012362523 [0,2,0,0,0,0|1,0,0]=3 12872 B14R1.6072 O=C(O)CNCc1cc(ccc1I)Cl 269956a_100016091260_100012348826 [0,2,0,0,0,0|1,0,0]=3 12873 B14R1.6072 O=C(O)CNCc1cc(ccc1I)F 269956a_100016091260_100010149606 [0,2,0,0,0,0|1,0,0]=3 12874 B14R1.6072 O=C(O)CNCc1cc(ccc1O)F 269956a_100016091260_100010161318 [0,2,0,0,0,0|1,0,0]=3 12875 B14R1.6072 O=C(O)CNCc1cc(cnc1Br)Br 269956a_100016091260_100010253922 [0,2,0,0,0,0|2,0,0]=4 12876 B14R1.6072 O=C(O)CNCc1cc(cnc1Cl)Br 269956a_100016091260_100009816982 [0,2,0,0,0,0|2,0,0]=4 12877 B14R1.6072 O=C(O)CNCc1nc(ccc1Cl)Cl 269956a_100016091260_100000059412 [0,2,0,0,0,0|2,0,0]=4 12878 B14R1.6072 O=C(O)CNCc1nc(ccc1F)Br 269956a_100016091260_100010065826 [0,2,0,0,0,0|2,0,0]=4 12879 B14R1.6072 O=C(O)CNCc1nc(ccc1F)Cl 269956a_100016091260_100009881012 [0,2,0,0,0,0|2,0,0]=4 12880 B14R1.6072 O=C([O-])CNCc1cc(ccc1Br)Br 34a_100000707832_100020667443 [0,2,0,0,0,0|1,0,1]=4 12881 B14R1.6072 O=C([O-])CNCc1cc(ccc1Br)F 34a_100000742738_100020667443 [0,2,0,0,0,0|1,0,1]=4 12882 B14R1.6072 O=C([O-])CNCc1cc(ccc1Cl)Br 34a_100025772652_100020667443 [0,2,0,0,0,0|1,0,1]=4 12883 B14R1.6072 O=C([O-])CNCc1cc(ccc1Cl)Cl 34a_100102946428_100020667443 [0,2,0,0,0,0|1,0,1]=4 12884 B14R1.6072 O=C([O-])CNCc1cc(ccc1Cl)F 34a_100011830483_100020667443 [0,2,0,0,0,0|1,0,1]=4 12885 B14R1.6072 O=C([O-])CNCc1cc(ccc1F)Br 34a_100009815772_100020667443 [0,2,0,0,0,0|1,0,1]=4 12886 B14R1.6072 O=C([O-])CNCc1cc(ccc1F)Cl 34a_100011211646_100020667443 [0,2,0,0,0,0|1,0,1]=4 12887 B14R1.6072 O=C([O-])CNCc1cc(ccc1F)F 34a_100000752317_100020667443 [0,2,0,0,0,0|1,0,1]=4 12888 B14R1.6072 O=C([O-])CNCc1cc(ccc1O)Br 34a_100000730032_100020667443 [0,2,0,0,0,0|1,0,1]=4 12889 B14R1.6072 O=C([O-])CNCc1cc(ccc1O)Cl 34a_100000238540_100020667443 [0,2,0,0,0,0|1,0,1]=4 12890 B14R1.6072 O=C([O-])COCc1cc(ccc1Br)Br 34a_100011266457_100020667443 [0,2,0,0,0,0|1,0,1]=4 12891 B14R1.6072 O=C([O-])COCc1cc(ccc1Br)Cl 34a_100012355668_100020667443 [0,2,0,0,0,0|1,0,1]=4 12892 B14R1.6072 O=C([O-])COCc1cc(ccc1Br)F 34a_100011217561_100020667443 [0,2,0,0,0,0|1,0,1]=4 12893 B14R1.6072 O=C([O-])COCc1cc(ccc1Cl)Br 34a_100011215897_100020667443 [0,2,0,0,0,0|1,0,1]=4 12894 B14R1.6072 O=C([O-])COCc1cc(ccc1Cl)Cl 34a_100000698905_100020667443 [0,2,0,0,0,0|1,0,1]=4 12895 B14R1.6072 O=C([O-])COCc1cc(ccc1Cl)F 34a_100011218361_100020667443 [0,2,0,0,0,0|1,0,1]=4 12896 B14R1.6072 O=C([O-])COCc1cc(ccc1Cl)I 34a_100010128486_100020667443 [0,2,0,0,0,0|1,0,1]=4 12897 B14R1.6072 O=C([O-])COCc1cc(ccc1F)Br 34a_100000246282_100020667443 [0,2,0,0,0,0|1,0,1]=4 12898 B14R1.6072 O=C([O-])COCc1cc(ccc1F)Cl 34a_100011217248_100020667443 [0,2,0,0,0,0|1,0,1]=4 12899 B14R1.6072 O=C([O-])COCc1cc(ccc1F)F 34a_100011217725_100020667443 [0,2,0,0,0,0|1,0,1]=4 12900 B14R1.6072 O=C([O-])COCc1cc(ccc1F)I 34a_100000049604_100020667443 [0,2,0,0,0,0|1,0,1]=4 12901 B14R1.6072 O=C([O-])COCc1cc(ccc1I)Br 34a_100011356890_100020667443 [0,2,0,0,0,0|1,0,1]=4 12902 B14R1.6072 O=C([O-])COCc1cc(ccc1I)F 34a_100010255287_100020667443 [0,2,0,0,0,0|1,0,1]=4 12903 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)Br 62a_100011982794_100020667443 [0,2,0,0,0,0|1,0,1]=4 12904 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)Br 62a_100020667443_100011982794 [0,2,0,0,0,0|1,0,1]=4 12905 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)Cl 62a_100000733903_100020667443 [0,2,0,0,0,0|1,0,1]=4 12906 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)Cl 62a_100020667443_100000733903 [0,2,0,0,0,0|1,0,1]=4 12907 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)F 62a_100000736370_100020667443 [0,2,0,0,0,0|1,0,1]=4 12908 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)F 62a_100020667443_100000736370 [0,2,0,0,0,0|1,0,1]=4 12909 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)I 62a_100012355412_100020667443 [0,2,0,0,0,0|1,0,1]=4 12910 B14R1.6072 O=C([O-])CSCc1cc(ccc1Br)I 62a_100020667443_100012355412 [0,2,0,0,0,0|1,0,1]=4 12911 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)Br 62a_100000763347_100020667443 [0,2,0,0,0,0|1,0,1]=4 12912 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)Br 62a_100020667443_100000763347 [0,2,0,0,0,0|1,0,1]=4 12913 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)Cl 62a_100000756322_100020667443 [0,2,0,0,0,0|1,0,1]=4 12914 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)Cl 62a_100020667443_100000756322 [0,2,0,0,0,0|1,0,1]=4 12915 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)F 62a_100000709952_100020667443 [0,2,0,0,0,0|1,0,1]=4 12916 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)F 62a_100020667443_100000709952 [0,2,0,0,0,0|1,0,1]=4 12917 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)I 62a_100010188191_100020667443 [0,2,0,0,0,0|1,0,1]=4 12918 B14R1.6072 O=C([O-])CSCc1cc(ccc1Cl)I 62a_100020667443_100010188191 [0,2,0,0,0,0|1,0,1]=4 12919 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)Br 62a_100000736399_100020667443 [0,2,0,0,0,0|1,0,1]=4 12920 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)Br 62a_100020667443_100000736399 [0,2,0,0,0,0|1,0,1]=4 12921 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)Cl 62a_100000716957_100020667443 [0,2,0,0,0,0|1,0,1]=4 12922 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)Cl 62a_100020667443_100000716957 [0,2,0,0,0,0|1,0,1]=4 12923 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)F 62a_100000685659_100020667443 [0,2,0,0,0,0|1,0,1]=4 12924 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)F 62a_100020667443_100000685659 [0,2,0,0,0,0|1,0,1]=4 12925 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)I 62a_100020667443_200010149601 [0,2,0,0,0,0|1,0,1]=4 12926 B14R1.6072 O=C([O-])CSCc1cc(ccc1F)I 62a_200010149601_100020667443 [0,2,0,0,0,0|1,0,1]=4 12927 B14R1.6072 O=C([O-])CSCc1cc(ccc1I)Br 62a_100012362523_100020667443 [0,2,0,0,0,0|1,0,1]=4 12928 B14R1.6072 O=C([O-])CSCc1cc(ccc1I)Br 62a_100020667443_100012362523 [0,2,0,0,0,0|1,0,1]=4 12929 B14R1.6072 O=C([O-])CSCc1cc(ccc1I)Cl 62a_100012348826_100020667443 [0,2,0,0,0,0|1,0,1]=4 12930 B14R1.6072 O=C([O-])CSCc1cc(ccc1I)Cl 62a_100020667443_100012348826 [0,2,0,0,0,0|1,0,1]=4 12931 B14R1.6072 O=C([O-])CSCc1cc(ccc1I)F 62a_100010149606_100020667443 [0,2,0,0,0,0|1,0,1]=4 12932 B14R1.6072 O=C([O-])CSCc1cc(ccc1I)F 62a_100020667443_100010149606 [0,2,0,0,0,0|1,0,1]=4 12933 B14R1.6072 O=C([O-])CSCc1cc(ccc1O)F 62a_100010161318_100020667443 [0,2,0,0,0,0|1,0,1]=4 12934 B14R1.6072 O=C([O-])CSCc1cc(ccc1O)F 62a_100020667443_100010161318 [0,2,0,0,0,0|1,0,1]=4 12935 B14R1.96 C#Cc1ccccc1CNCC(=O)N 34a_100020634229_100000187820 [0,2,0,0,0,0|2,0,0]=4 12936 B14R1.96 C#Cc1ccccc1CNCC(=O)[O-] 34a_100020634229_100020667443 [0,2,0,0,0,0|1,0,1]=4 12937 B14R1.96 C#Cc1ccccc1COCC(=O)N 34a_100000054652_100000187820 [0,2,0,0,0,0|2,0,0]=4 12938 B14R1.96 C#Cc1ccccc1COCC(=O)N 7a_100000054652_100000187820 [0,2,0,0,0,0|2,0,0]=4 12939 B14R1.96 C#Cc1ccccc1COCC(=O)[O-] 34a_100000054652_100020667443 [0,2,0,0,0,0|1,0,1]=4 12940 B14R1.96 C#Cc1ccccc1NCCC(=O)N 34a_100011470550_100000731001 [0,2,0,0,0,0|2,0,0]=4 12941 B14R1.96 C#Cc1ccccc1OCCC(=O)C 7a_200011470546_100000053229 [0,2,0,0,0,0|2,0,0]=4 12942 B14R1.96 C#Cc1ccccc1OCCC(=O)N 34a_200011470546_100000731001 [0,2,0,0,0,0|2,0,0]=4 12943 B14R1.96 C#Cc1ccccc1OCCC(=O)N 7a_200011470546_100000744528 [0,2,0,0,0,0|2,0,0]=4 12944 B14R1.96 C=Cc1ccccc1COCC(=O)N 34a_200010883148_100000187820 [0,2,0,0,0,0|2,0,0]=4 12945 B14R1.96 C=Cc1ccccc1COCC(=O)N 7a_200010883148_100000187820 [0,2,0,0,0,0|2,0,0]=4 12946 B14R1.96 C=Cc1ccccc1COCC(=O)[O-] 34a_200010883148_100020667443 [0,2,0,0,0,0|1,0,1]=4 12947 B14R1.96 C=Cc1ccccc1NCCC(=O)N 34a_100012022501_100000731001 [0,2,0,0,0,0|2,0,0]=4 12948 B14R1.96 C=Cc1ccccc1SCCC(=O)C 62a_100000053229_100011218376 [0,2,0,0,0,0|2,0,0]=4 12949 B14R1.96 C=Cc1ccccc1SCCC(=O)C 62a_100011218376_100000053229 [0,2,0,0,0,0|2,0,0]=4 12950 B14R1.96 C=Cc1ccccc1SCCC(=O)N 62a_100000744528_100011218376 [0,2,0,0,0,0|2,0,0]=4 12951 B14R1.96 C=Cc1ccccc1SCCC(=O)N 62a_100011218376_100000744528 [0,2,0,0,0,0|2,0,0]=4 12952 B14R1.96 CC(=O)CCOc1ccccc1C#N 1458a_100000070787_100000743737 [0,2,0,0,0,0|2,0,0]=4 12953 B14R1.96 CC(=O)CCOc1ccccc1C#N 7a_100000211048_100000053229 [0,2,0,0,0,0|2,0,0]=4 12954 B14R1.96 CC(=O)CCOc1ccccc1C=O 1458a_100000070787_100009990610 [0,2,0,0,0,0|2,0,0]=4 12955 B14R1.96 CC(=O)CCSc1ccccc1C#N 62a_100000053229_100000188569 [0,2,0,0,0,0|2,0,0]=4 12956 B14R1.96 CC(=O)CCSc1ccccc1C=O 62a_100000053229_100000210073 [0,2,0,0,0,0|2,0,0]=4 12957 B14R1.96 CC(=O)CCSc1ccccc1C=O 62a_100000210073_100000053229 [0,2,0,0,0,0|2,0,0]=4 12958 B14R1.96 CC(=O)CCSc1ccccc1CN 62a_100000053229_100000689332 [0,2,0,0,0,0|2,0,0]=4 12959 B14R1.96 CC(=O)CCSc1ccccc1CN 62a_100000689332_100000053229 [0,2,0,0,0,0|2,0,0]=4 12960 B14R1.96 CC(=O)CCSc1ccccc1CO 62a_100000053229_100000187465 [0,2,0,0,0,0|2,0,0]=4 12961 B14R1.96 CC(=O)CCSc1ccccc1CO 62a_100000187465_100000053229 [0,2,0,0,0,0|2,0,0]=4 12962 B14R1.96 CC(=O)CCSc1ccccc1NN 62a_100000053229_100000241748 [0,2,0,0,0,0|2,0,0]=4 12963 B14R1.96 CC(=O)CCSc1ccccc1NN 62a_100000241748_100000053229 [0,2,0,0,0,0|2,0,0]=4 12964 B14R1.96 CC(=O)COCc1ccccc1C#N 34a_100000211253_100000181865 [0,2,0,0,0,0|2,0,0]=4 12965 B14R1.96 CC(=O)COCc1ccccc1C=O 34a_100000211253_200009853537 [0,2,0,0,0,0|2,0,0]=4 12966 B14R1.96 CC(=O)COCc1ccccc1CO 34a_100000211253_100009816955 [0,2,0,0,0,0|2,0,0]=4 12967 B14R1.96 CC(=O)NCCc1ccccc1[Pd]Cl 11a_106741704370_100015343762 [0,2,0,0,0,0|2,0,0]=4 12968 B14R1.96 CC(=O)NCCc1ccccc1[Pd]Cl 1626a_106741704370_100015343762 [0,2,0,0,0,0|2,0,0]=4 12969 B14R1.96 CC(=O)NCCc1ccccc1[Pd]Cl 240690a_106741704370_100015343762 [0,2,0,0,0,0|2,0,0]=4 12970 B14R1.96 CC(=O)NCCc1ccccc1[Pd]Cl 527a_106741704370_100103153847 [0,2,0,0,0,0|2,0,0]=4 12971 B14R1.96 CCc1ccccc1CCNC(=O)C 11a_100011663701_100015343762 [0,2,0,0,0,0|2,0,0]=4 12972 B14R1.96 CCc1ccccc1CCNC(=O)C 1626a_100011663701_100015343762 [0,2,0,0,0,0|2,0,0]=4 12973 B14R1.96 CCc1ccccc1CCNC(=O)C 240690a_100011663701_100015343762 [0,2,0,0,0,0|2,0,0]=4 12974 B14R1.96 CCc1ccccc1CCNC(=O)C 527a_100011663701_100103153847 [0,2,0,0,0,0|2,0,0]=4 12975 B14R1.96 CCc1ccccc1COCC(=O)N 34a_100011663872_100000187820 [0,2,0,0,0,0|2,0,0]=4 12976 B14R1.96 CCc1ccccc1COCC(=O)N 7a_100011663872_100000187820 [0,2,0,0,0,0|2,0,0]=4 12977 B14R1.96 CCc1ccccc1COCC(=O)[O-] 34a_100011663872_100020667443 [0,2,0,0,0,0|1,0,1]=4 12978 B14R1.96 CCc1ccccc1NCCC(=O)C 7a_100000212081_100000053229 [0,2,0,0,0,0|2,0,0]=4 12979 B14R1.96 CCc1ccccc1NCCC(=O)N 2230a_100000212081_100000744528 [0,2,0,0,0,0|2,0,0]=4 12980 B14R1.96 CCc1ccccc1NCCC(=O)N 34a_100000212081_100000731001 [0,2,0,0,0,0|2,0,0]=4 12981 B14R1.96 CCc1ccccc1NCCC(=O)N 7a_100000212081_100000744528 [0,2,0,0,0,0|2,0,0]=4 12982 B14R1.96 CCc1ccccc1OCCC(=O)C 7a_100000210936_100000053229 [0,2,0,0,0,0|2,0,0]=4 12983 B14R1.96 CCc1ccccc1OCCC(=O)N 34a_100000210936_100000731001 [0,2,0,0,0,0|2,0,0]=4 12984 B14R1.96 CCc1ccccc1OCCC(=O)N 7a_100000210936_100000744528 [0,2,0,0,0,0|2,0,0]=4 12985 B14R1.96 CCc1ccccc1SCCC(=O)C 62a_100000053229_100011215823 [0,2,0,0,0,0|2,0,0]=4 12986 B14R1.96 CCc1ccccc1SCCC(=O)C 62a_100011215823_100000053229 [0,2,0,0,0,0|2,0,0]=4 12987 B14R1.96 CCc1ccccc1SCCC(=O)N 62a_100000744528_100011215823 [0,2,0,0,0,0|2,0,0]=4 12988 B14R1.96 CCc1ccccc1SCCC(=O)N 62a_100011215823_100000744528 [0,2,0,0,0,0|2,0,0]=4 12989 B14R1.96 CNc1ccccc1OCCC(=O)N 34a_100000033821_100000731001 [0,2,0,0,0,0|2,0,0]=4 12990 B14R1.96 CNc1ccccc1SCCC(=O)C 62a_100000053229_100020606079 [0,2,0,0,0,0|2,0,0]=4 12991 B14R1.96 CNc1ccccc1SCCC(=O)C 62a_100020606079_100000053229 [0,2,0,0,0,0|2,0,0]=4 12992 B14R1.96 CNc1ccccc1SCCC(=O)N 62a_100000744528_100020606079 [0,2,0,0,0,0|2,0,0]=4 12993 B14R1.96 CNc1ccccc1SCCC(=O)N 62a_100020606079_100000744528 [0,2,0,0,0,0|2,0,0]=4 12994 B14R1.96 COc1ccccc1CCNC(=O)C 11a_100000211851_100015343762 [0,2,0,0,0,0|2,0,0]=4 12995 B14R1.96 COc1ccccc1CCNC(=O)C 1626a_100000211851_100015343762 [0,2,0,0,0,0|2,0,0]=4 12996 B14R1.96 COc1ccccc1CCNC(=O)C 240690a_100000211851_100015343762 [0,2,0,0,0,0|2,0,0]=4 12997 B14R1.96 COc1ccccc1CCNC(=O)C 527a_100000211851_100103153847 [0,2,0,0,0,0|2,0,0]=4 12998 B14R1.96 COc1ccccc1CNCC(=O)N 2230a_100000711301_100000210004 [0,2,0,0,0,0|2,0,0]=4 12999 B14R1.96 COc1ccccc1CNCC(=O)N 34a_100000188900_100000187820 [0,2,0,0,0,0|2,0,0]=4 13000 B14R1.96 COc1ccccc1CNCC(=O)O 269956a_100016091260_100000210004 [0,2,0,0,0,0|1,0,0]=3 13001 B14R1.96 COc1ccccc1CNCC(=O)[O-] 34a_100000188900_100020667443 [0,2,0,0,0,0|1,0,1]=4 13002 B14R1.96 COc1ccccc1COCC(=O)C 1458a_100012176948_200000210301 [0,2,0,0,0,0|2,0,0]=4 13003 B14R1.96 COc1ccccc1COCC(=O)C 34a_100000211253_100000210004 [0,2,0,0,0,0|2,0,0]=4 13004 B14R1.96 COc1ccccc1COCC(=O)N 34a_100000211301_100000187820 [0,2,0,0,0,0|2,0,0]=4 13005 B14R1.96 COc1ccccc1COCC(=O)[13CH3] 1458a_100012176948_200025704644 [0,2,0,0,0,0|2,0,0]=4 13006 B14R1.96 COc1ccccc1COCC(=O)[O-] 34a_100000211301_100020667443 [0,2,0,0,0,0|1,0,1]=4 13007 B14R1.96 COc1ccccc1CSCC(=O)N 62a_100000210004_100000747473 [0,2,0,0,0,0|2,0,0]=4 13008 B14R1.96 COc1ccccc1CSCC(=O)N 62a_100000747473_100000210004 [0,2,0,0,0,0|2,0,0]=4 13009 B14R1.96 COc1ccccc1CSCC(=O)[O-] 62a_100000210004_100020667443 [0,2,0,0,0,0|1,0,1]=4 13010 B14R1.96 COc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000210004 [0,2,0,0,0,0|1,0,1]=4 13011 B14R1.96 COc1ccccc1NCCC(=O)N 34a_100000210025_100000731001 [0,2,0,0,0,0|2,0,0]=4 13012 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000070787_100000188471 [0,2,0,0,0,0|2,0,0]=4 13013 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000182669_200000210301 [0,2,0,0,0,0|2,0,0]=4 13014 B14R1.96 COc1ccccc1OCCC(=O)N 34a_100000210385_100000731001 [0,2,0,0,0,0|2,0,0]=4 13015 B14R1.96 COc1ccccc1OCCC(=O)[13CH3] 1458a_100000182669_200025704644 [0,2,0,0,0,0|2,0,0]=4 13016 B14R1.96 COc1ccccc1SCCC(=O)C 62a_100000053229_100000210334 [0,2,0,0,0,0|2,0,0]=4 13017 B14R1.96 COc1ccccc1SCCC(=O)C 62a_100000210334_100000053229 [0,2,0,0,0,0|2,0,0]=4 13018 B14R1.96 COc1ccccc1SCCC(=O)N 62a_100000210334_100000744528 [0,2,0,0,0,0|2,0,0]=4 13019 B14R1.96 COc1ccccc1SCCC(=O)N 62a_100000744528_100000210334 [0,2,0,0,0,0|2,0,0]=4 13020 B14R1.96 COc1cnccc1CNCC(=O)O 269956a_100016091260_100020635607 [0,2,0,0,0,0|2,0,0]=4 13021 B14R1.96 COc1ncccc1CNCC(=O)O 269956a_100016091260_100020631285 [0,2,0,0,0,0|2,0,0]=4 13022 B14R1.96 CSc1ccccc1CNCC(=O)N 2230a_100000711301_100000699184 [0,2,0,0,0,0|2,0,0]=4 13023 B14R1.96 CSc1ccccc1CNCC(=O)N 34a_102495365025_100000187820 [0,2,0,0,0,0|2,0,0]=4 13024 B14R1.96 CSc1ccccc1CNCC(=O)O 269956a_100016091260_100000699184 [0,2,0,0,0,0|1,0,0]=3 13025 B14R1.96 CSc1ccccc1CNCC(=O)[O-] 34a_102495365025_100020667443 [0,2,0,0,0,0|1,0,1]=4 13026 B14R1.96 CSc1ccccc1COCC(=O)C 34a_100000211253_100000699184 [0,2,0,0,0,0|2,0,0]=4 13027 B14R1.96 CSc1ccccc1COCC(=O)N 34a_100000699167_100000187820 [0,2,0,0,0,0|2,0,0]=4 13028 B14R1.96 CSc1ccccc1COCC(=O)[O-] 34a_100000699167_100020667443 [0,2,0,0,0,0|1,0,1]=4 13029 B14R1.96 CSc1ccccc1CSCC(=O)N 62a_100000699184_100000747473 [0,2,0,0,0,0|2,0,0]=4 13030 B14R1.96 CSc1ccccc1CSCC(=O)N 62a_100000747473_100000699184 [0,2,0,0,0,0|2,0,0]=4 13031 B14R1.96 CSc1ccccc1CSCC(=O)[O-] 62a_100000699184_100020667443 [0,2,0,0,0,0|1,0,1]=4 13032 B14R1.96 CSc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000699184 [0,2,0,0,0,0|1,0,1]=4 13033 B14R1.96 CSc1ccccc1NCCC(=O)N 34a_100000211160_100000731001 [0,2,0,0,0,0|2,0,0]=4 13034 B14R1.96 CSc1ccccc1OCCC(=O)N 34a_100011216402_100000731001 [0,2,0,0,0,0|2,0,0]=4 13035 B14R1.96 CSc1ccccc1SCCC(=O)C 62a_100000053229_100011217816 [0,2,0,0,0,0|2,0,0]=4 13036 B14R1.96 CSc1ccccc1SCCC(=O)C 62a_100011217816_100000053229 [0,2,0,0,0,0|2,0,0]=4 13037 B14R1.96 CSc1ccccc1SCCC(=O)N 62a_100000744528_100011217816 [0,2,0,0,0,0|2,0,0]=4 13038 B14R1.96 CSc1ccccc1SCCC(=O)N 62a_100011217816_100000744528 [0,2,0,0,0,0|2,0,0]=4 13039 B14R1.96 N#Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000181865 [0,2,0,0,0,0|2,0,0]=4 13040 B14R1.96 N#Cc1ccccc1CNCC(=O)N 34a_100016989011_100000187820 [0,2,0,0,0,0|2,0,0]=4 13041 B14R1.96 N#Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000181865 [0,2,0,0,0,0|1,0,0]=3 13042 B14R1.96 N#Cc1ccccc1CNCC(=O)[O-] 34a_100016989011_100020667443 [0,2,0,0,0,0|1,0,1]=4 13043 B14R1.96 N#Cc1ccccc1COCC(=O)N 34a_200011269968_100000187820 [0,2,0,0,0,0|2,0,0]=4 13044 B14R1.96 N#Cc1ccccc1COCC(=O)N 7a_200011269968_100000187820 [0,2,0,0,0,0|2,0,0]=4 13045 B14R1.96 N#Cc1ccccc1COCC(=O)[O-] 34a_200011269968_100020667443 [0,2,0,0,0,0|1,0,1]=4 13046 B14R1.96 N#Cc1ccccc1CSCC(=O)N 62a_100000186380_100000747473 [0,2,0,0,0,0|2,0,0]=4 13047 B14R1.96 N#Cc1ccccc1CSCC(=O)N 62a_100000747473_100000181865 [0,2,0,0,0,0|2,0,0]=4 13048 B14R1.96 N#Cc1ccccc1CSCC(=O)[O-] 62a_100000186380_100020667443 [0,2,0,0,0,0|1,0,1]=4 13049 B14R1.96 N#Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000181865 [0,2,0,0,0,0|1,0,1]=4 13050 B14R1.96 N#Cc1ccccc1NCCC(=O)N 34a_100000211148_100000731001 [0,2,0,0,0,0|2,0,0]=4 13051 B14R1.96 N#Cc1ccccc1OCCC(=O)N 34a_100000211048_100000731001 [0,2,0,0,0,0|2,0,0]=4 13052 B14R1.96 N#Cc1ccccc1OCCC(=O)N 7a_100000211048_100000744528 [0,2,0,0,0,0|2,0,0]=4 13053 B14R1.96 N#Cc1ccccc1SCCC(=O)N 62a_100000744528_100000188569 [0,2,0,0,0,0|2,0,0]=4 13054 B14R1.96 N#Cc1cccnc1CNCC(=O)O 269956a_100016091260_100000099805 [0,2,0,0,0,0|2,0,0]=4 13055 B14R1.96 N#Cc1ncccc1CNCC(=O)O 269956a_100016091260_100011768898 [0,2,0,0,0,0|2,0,0]=4 13056 B14R1.96 NC(=O)CCNc1ccccc1CO 34a_100000212039_100000731001 [0,2,0,0,0,0|2,0,0]=4 13057 B14R1.96 NC(=O)CCOc1ccccc1CO 34a_100011216872_100000731001 [0,2,0,0,0,0|2,0,0]=4 13058 B14R1.96 NC(=O)CCSc1ccccc1C=O 62a_100000210073_100000744528 [0,2,0,0,0,0|2,0,0]=4 13059 B14R1.96 NC(=O)CCSc1ccccc1C=O 62a_100000744528_100000210073 [0,2,0,0,0,0|2,0,0]=4 13060 B14R1.96 NC(=O)CCSc1ccccc1CO 62a_100000187465_100000744528 [0,2,0,0,0,0|2,0,0]=4 13061 B14R1.96 NC(=O)CCSc1ccccc1CO 62a_100000744528_100000187465 [0,2,0,0,0,0|2,0,0]=4 13062 B14R1.96 NC(=O)CNCc1ccccc1C=O 2230a_100000711301_200009853537 [0,2,0,0,0,0|2,0,0]=4 13063 B14R1.96 NC(=O)CNCc1ccccc1CO 2230a_100000711301_100009816955 [0,2,0,0,0,0|2,0,0]=4 13064 B14R1.96 NC(=O)COCc1ccccc1CBr 34a_100009816955_100000187820 [0,2,0,0,0,0|2,0,0]=4 13065 B14R1.96 NC(=O)COCc1ccccc1CBr 7a_100009816955_100000187820 [0,2,0,0,0,0|2,0,0]=4 13066 B14R1.96 NC(=O)CSCc1ccccc1C=O 62a_100000747473_200009853537 [0,2,0,0,0,0|2,0,0]=4 13067 B14R1.96 NC(=O)CSCc1ccccc1C=O 62a_200009853537_100000747473 [0,2,0,0,0,0|2,0,0]=4 13068 B14R1.96 NC(=O)CSCc1ccccc1CO 62a_100000747473_100009816955 [0,2,0,0,0,0|2,0,0]=4 13069 B14R1.96 NC(=O)CSCc1ccccc1CO 62a_100009816955_100000747473 [0,2,0,0,0,0|2,0,0]=4 13070 B14R1.96 NCc1ccccc1COCC(=O)N 34a_100000743596_100000187820 [0,2,0,0,0,0|2,0,0]=4 13071 B14R1.96 NCc1ccccc1COCC(=O)[O-] 34a_100000743596_100020667443 [0,2,0,0,0,0|1,0,1]=4 13072 B14R1.96 NCc1ccccc1OCCC(=O)N 34a_100000185550_100000731001 [0,2,0,0,0,0|2,0,0]=4 13073 B14R1.96 NCc1ccccc1SCCC(=O)N 62a_100000689332_100000744528 [0,2,0,0,0,0|2,0,0]=4 13074 B14R1.96 NCc1ccccc1SCCC(=O)N 62a_100000744528_100000689332 [0,2,0,0,0,0|2,0,0]=4 13075 B14R1.96 NNc1ccccc1SCCC(=O)N 62a_100000241748_100000744528 [0,2,0,0,0,0|2,0,0]=4 13076 B14R1.96 NNc1ccccc1SCCC(=O)N 62a_100000744528_100000241748 [0,2,0,0,0,0|2,0,0]=4 13077 B14R1.96 O=C(O)CNCc1ccccc1CO 269956a_100016091260_100009816955 [0,2,0,0,0,0|1,0,0]=3 13078 B14R1.96 O=C([O-])COCc1ccccc1CBr 34a_100009816955_100020667443 [0,2,0,0,0,0|1,0,1]=4 13079 B14R1.96 O=C([O-])CSCc1ccccc1CO 62a_100009816955_100020667443 [0,2,0,0,0,0|1,0,1]=4 13080 B14R1.96 O=C([O-])CSCc1ccccc1CO 62a_100020667443_100009816955 [0,2,0,0,0,0|1,0,1]=4 13081 B14R1.96 O=Cc1ccccc1CNCC(=O)O 269956a_100016091260_200009853537 [0,2,0,0,0,0|1,0,0]=3 13082 B14R1.96 O=Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_200009853537 [0,2,0,0,0,0|1,0,1]=4 13083 B14R1.96 O=Cc1ccccc1CSCC(=O)[O-] 62a_200009853537_100020667443 [0,2,0,0,0,0|1,0,1]=4 13084 B14R1.161 CC(=O)C(C)NCc1ccccc1Br 2230a_100000689332_100009814033 [0,2,0,0,0,0|2,0,0]=4 13085 B14R1.161 CC(=O)C(C)NCc1ccccc1Cl 2230a_100000174879_100009814033 [0,2,0,0,0,0|2,0,0]=4 13086 B14R1.161 CC(=O)C(C)OCc1ccccc1Br 34a_100000212229_100000184730 [0,2,0,0,0,0|2,0,0]=4 13087 B14R1.161 CC(=O)C(C)OCc1ccccc1Br 7a_100000756307_100000179758 [0,2,0,0,0,0|2,0,0]=4 13088 B14R1.161 CC(=O)C(C)OCc1ccccc1C 34a_100000212229_100000211839 [0,2,0,0,0,0|2,0,0]=4 13089 B14R1.161 CC(=O)C(C)OCc1ccccc1C 7a_100000698903_100000179758 [0,2,0,0,0,0|2,0,0]=4 13090 B14R1.161 CC(=O)C(C)OCc1ccccc1Cl 34a_100000212229_100000187162 [0,2,0,0,0,0|2,0,0]=4 13091 B14R1.161 CC(=O)C(C)OCc1ccccc1Cl 7a_100000210847_100000179758 [0,2,0,0,0,0|2,0,0]=4 13092 B14R1.161 CC(=O)C(C)OCc1ccccc1F 34a_100000212229_100000211605 [0,2,0,0,0,0|2,0,0]=4 13093 B14R1.161 CC(=O)C(C)OCc1ccccc1F 7a_100000211962_100000179758 [0,2,0,0,0,0|2,0,0]=4 13094 B14R1.161 CC(=O)C(C)OCc1ccccc1I 34a_100000212229_100011215278 [0,2,0,0,0,0|2,0,0]=4 13095 B14R1.161 CC(=O)C(C)OCc1ccccc1I 7a_100000187465_100000179758 [0,2,0,0,0,0|2,0,0]=4 13096 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100000184730_100009814033 [0,2,0,0,0,0|2,0,0]=4 13097 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100009814033_100000184730 [0,2,0,0,0,0|2,0,0]=4 13098 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100000211839_100009814033 [0,2,0,0,0,0|2,0,0]=4 13099 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100009814033_100000211839 [0,2,0,0,0,0|2,0,0]=4 13100 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100000187162_100009814033 [0,2,0,0,0,0|2,0,0]=4 13101 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100009814033_100000187162 [0,2,0,0,0,0|2,0,0]=4 13102 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100000211605_100009814033 [0,2,0,0,0,0|2,0,0]=4 13103 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100009814033_100000211605 [0,2,0,0,0,0|2,0,0]=4 13104 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100009814033_100011216222 [0,2,0,0,0,0|2,0,0]=4 13105 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100011216222_100009814033 [0,2,0,0,0,0|2,0,0]=4 13106 B14R1.161 CC(=O)C(O)COc1ccccc1C 1458a_100011934399_200000210301 [0,2,0,0,0,0|2,0,0]=4 13107 B14R1.161 CC(=O)N(C)CCc1ccccc1F 11a_100000232559_100015343762 [0,2,0,0,0,0|2,0,0]=4 13108 B14R1.161 CC(=O)N(C)CCc1ccccc1F 1626a_100000232559_100015343762 [0,2,0,0,0,0|2,0,0]=4 13109 B14R1.161 CC(=O)N(C)CCc1ccccc1F 240690a_100000232559_100015343762 [0,2,0,0,0,0|2,0,0]=4 13110 B14R1.161 CC(=O)N(C)CCc1ccccc1F 527a_100000232559_100103153847 [0,2,0,0,0,0|2,0,0]=4 13111 B14R1.161 CC(NCc1ccccc1Br)C(=O)N 2230a_100000689332_100000702099 [0,2,0,0,0,0|2,0,0]=4 13112 B14R1.161 CC(NCc1ccccc1Br)C(=O)N 34a_100000689332_100000702099 [0,2,0,0,0,0|2,0,0]=4 13113 B14R1.161 CC(NCc1ccccc1Cl)C(=O)N 2230a_100000174879_100000702099 [0,2,0,0,0,0|2,0,0]=4 13114 B14R1.161 CC(NCc1ccccc1Cl)C(=O)N 34a_100000174879_100000702099 [0,2,0,0,0,0|2,0,0]=4 13115 B14R1.161 CC(NCc1ccccc1F)C(=O)N 34a_100000174869_100000702099 [0,2,0,0,0,0|2,0,0]=4 13116 B14R1.161 CC(NCc1ccccc1O)C(=O)N 34a_100000185550_100000702099 [0,2,0,0,0,0|2,0,0]=4 13117 B14R1.161 CC(OCc1ccccc1Br)C(=O)N 34a_100000756307_100000702099 [0,2,0,0,0,0|2,0,0]=4 13118 B14R1.161 CC(OCc1ccccc1Br)C(=O)N 7a_100000756307_100000702099 [0,2,0,0,0,0|2,0,0]=4 13119 B14R1.161 CC(OCc1ccccc1Cl)C(=O)N 34a_100000210847_100000702099 [0,2,0,0,0,0|2,0,0]=4 13120 B14R1.161 CC(OCc1ccccc1Cl)C(=O)N 7a_100000210847_100000702099 [0,2,0,0,0,0|2,0,0]=4 13121 B14R1.161 CC(OCc1ccccc1F)C(=O)N 34a_100000211962_100000702099 [0,2,0,0,0,0|2,0,0]=4 13122 B14R1.161 CC(OCc1ccccc1F)C(=O)N 7a_100000211962_100000702099 [0,2,0,0,0,0|2,0,0]=4 13123 B14R1.161 CC(OCc1ccccc1I)C(=O)N 34a_100000187465_100000702099 [0,2,0,0,0,0|2,0,0]=4 13124 B14R1.161 CC(OCc1ccccc1I)C(=O)N 7a_100000187465_100000702099 [0,2,0,0,0,0|2,0,0]=4 13125 B14R1.161 CC(OCc1ccccc1N)C(=O)N 34a_100000212039_100000702099 [0,2,0,0,0,0|2,0,0]=4 13126 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000184730_100000702099 [0,2,0,0,0,0|2,0,0]=4 13127 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000702099_100000184730 [0,2,0,0,0,0|2,0,0]=4 13128 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000187162_100000702099 [0,2,0,0,0,0|2,0,0]=4 13129 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000702099_100000187162 [0,2,0,0,0,0|2,0,0]=4 13130 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000211605_100000702099 [0,2,0,0,0,0|2,0,0]=4 13131 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000702099_100000211605 [0,2,0,0,0,0|2,0,0]=4 13132 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100000702099_100011216222 [0,2,0,0,0,0|2,0,0]=4 13133 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100011216222_100000702099 [0,2,0,0,0,0|2,0,0]=4 13134 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 2230a_100000119354_100000184730 [0,2,0,0,0,0|2,0,0]=4 13135 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 270004a_100000119354_100000211189 [0,2,0,0,0,0|2,0,0]=4 13136 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 34a_100000119354_100000184730 [0,2,0,0,0,0|2,0,0]=4 13137 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 2230a_100000119354_100000187162 [0,2,0,0,0,0|2,0,0]=4 13138 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 270004a_100000119354_100000210073 [0,2,0,0,0,0|2,0,0]=4 13139 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 34a_100000119354_100000187162 [0,2,0,0,0,0|2,0,0]=4 13140 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 2230a_100000119354_100000211605 [0,2,0,0,0,0|2,0,0]=4 13141 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 270004a_100000119354_100000210811 [0,2,0,0,0,0|2,0,0]=4 13142 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 34a_100000119354_100000211605 [0,2,0,0,0,0|2,0,0]=4 13143 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 2230a_100000119354_100011215278 [0,2,0,0,0,0|2,0,0]=4 13144 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 270004a_100000119354_100000010305 [0,2,0,0,0,0|2,0,0]=4 13145 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 34a_100000119354_100011215278 [0,2,0,0,0,0|2,0,0]=4 13146 B14R1.161 C[C@@H](OCc1ccccc1Br)C(=O)N 34a_100000731257_100000184730 [0,2,0,0,0,0|2,0,0]=4 13147 B14R1.161 C[C@@H](OCc1ccccc1Br)C(=O)N 7a_100000731257_100000184730 [0,2,0,0,0,0|2,0,0]=4 13148 B14R1.161 C[C@@H](OCc1ccccc1Cl)C(=O)N 34a_100000731257_100000187162 [0,2,0,0,0,0|2,0,0]=4 13149 B14R1.161 C[C@@H](OCc1ccccc1Cl)C(=O)N 7a_100000731257_100000187162 [0,2,0,0,0,0|2,0,0]=4 13150 B14R1.161 C[C@@H](OCc1ccccc1F)C(=O)N 34a_100000731257_100000211605 [0,2,0,0,0,0|2,0,0]=4 13151 B14R1.161 C[C@@H](OCc1ccccc1F)C(=O)N 7a_100000731257_100000211605 [0,2,0,0,0,0|2,0,0]=4 13152 B14R1.161 C[C@@H](OCc1ccccc1I)C(=O)N 34a_100000731257_100011215278 [0,2,0,0,0,0|2,0,0]=4 13153 B14R1.161 C[C@@H](OCc1ccccc1I)C(=O)N 7a_100000731257_100011215278 [0,2,0,0,0,0|2,0,0]=4 13154 B14R1.161 C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100000743915_100000184730 [0,2,0,0,0,0|1,0,0]=3 13155 B14R1.161 C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100000743915_100000187162 [0,2,0,0,0,0|1,0,0]=3 13156 B14R1.161 C[C@H](NCc1ccccc1F)C(=O)O 269956a_100000743915_100000187165 [0,2,0,0,0,0|1,0,0]=3 13157 B14R1.161 C[C@H](NCc1ccccc1I)C(=O)O 269956a_100000743915_100011216222 [0,2,0,0,0,0|1,0,0]=3 13158 B14R1.161 C[C@H](NCc1cccnc1Br)C(=O)O 269956a_100000743915_100010140945 [0,2,0,0,0,0|2,0,0]=4 13159 B14R1.161 C[C@H](NCc1cccnc1Cl)C(=O)O 269956a_100000743915_100000045678 [0,2,0,0,0,0|2,0,0]=4 13160 B14R1.161 C[C@H](NCc1cccnc1F)C(=O)O 269956a_100000743915_100000099810 [0,2,0,0,0,0|2,0,0]=4 13161 B14R1.161 C[C@H](NCc1ccncc1Cl)C(=O)O 269956a_100000743915_100000763264 [0,2,0,0,0,0|2,0,0]=4 13162 B14R1.161 C[C@H](NCc1ncccc1Br)C(=O)O 269956a_100000743915_100025702911 [0,2,0,0,0,0|2,0,0]=4 13163 B14R1.161 C[C@H](NCc1ncccc1Cl)C(=O)O 269956a_100000743915_100000099807 [0,2,0,0,0,0|2,0,0]=4 13164 B14R1.161 C[C@H](NCc1ncccc1F)C(=O)O 269956a_100000743915_100000104219 [0,2,0,0,0,0|2,0,0]=4 13165 B14R1.161 C[C@H](NCc1ncccc1O)C(=O)O 269956a_100000743915_200020655725 [0,2,0,0,0,0|2,0,0]=4 13166 B14R1.161 C[C@H](OCc1ccccc1Br)C(=O)[O-] 7a_217856618621_100000184730 [0,2,0,0,0,0|1,0,1]=4 13167 B14R1.161 C[C@H](OCc1ccccc1Cl)C(=O)[O-] 7a_217856618621_100000187162 [0,2,0,0,0,0|1,0,1]=4 13168 B14R1.161 C[C@H](OCc1ccccc1F)C(=O)[O-] 7a_217856618621_100000211605 [0,2,0,0,0,0|1,0,1]=4 13169 B14R1.161 C[C@H](OCc1ccccc1I)C(=O)[O-] 7a_217856618621_100011215278 [0,2,0,0,0,0|1,0,1]=4 13170 B14R1.161 Cc1ccccc1CNC(C)C(=O)N 34a_100000174972_100000702099 [0,2,0,0,0,0|2,0,0]=4 13171 B14R1.161 Cc1ccccc1CNC(F)C(=O)N 34a_100000174972_100009813875 [0,2,0,0,0,0|2,0,0]=4 13172 B14R1.161 Cc1ccccc1CNC(F)C(=O)[O-] 34a_100000174972_100020610796 [0,2,0,0,0,0|1,0,1]=4 13173 B14R1.161 Cc1ccccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000211750 [0,2,0,0,0,0|1,0,0]=3 13174 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 2230a_100000119354_100000211839 [0,2,0,0,0,0|2,0,0]=4 13175 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 270004a_100000119354_100000211143 [0,2,0,0,0,0|2,0,0]=4 13176 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 34a_100000119354_100000211839 [0,2,0,0,0,0|2,0,0]=4 13177 B14R1.161 Cc1ccccc1COC(C)C(=O)N 34a_100000698903_100000702099 [0,2,0,0,0,0|2,0,0]=4 13178 B14R1.161 Cc1ccccc1COC(C)C(=O)N 7a_100000698903_100000702099 [0,2,0,0,0,0|2,0,0]=4 13179 B14R1.161 Cc1ccccc1COC(F)C(=O)N 34a_100000698903_100009813875 [0,2,0,0,0,0|2,0,0]=4 13180 B14R1.161 Cc1ccccc1COC(F)C(=O)N 7a_100000698903_100009813875 [0,2,0,0,0,0|2,0,0]=4 13181 B14R1.161 Cc1ccccc1COC(F)C(=O)[O-] 34a_100000698903_100020610796 [0,2,0,0,0,0|1,0,1]=4 13182 B14R1.161 Cc1ccccc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211839 [0,2,0,0,0,0|1,0,1]=4 13183 B14R1.161 Cc1ccccc1CO[C@H](C)C(=O)N 34a_100000731257_100000211839 [0,2,0,0,0,0|2,0,0]=4 13184 B14R1.161 Cc1ccccc1CO[C@H](C)C(=O)N 7a_100000731257_100000211839 [0,2,0,0,0,0|2,0,0]=4 13185 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000211839_100000702099 [0,2,0,0,0,0|2,0,0]=4 13186 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000702099_100000211839 [0,2,0,0,0,0|2,0,0]=4 13187 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100000211839_100009813875 [0,2,0,0,0,0|2,0,0]=4 13188 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100009813875_100000211839 [0,2,0,0,0,0|2,0,0]=4 13189 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100000211839_100020610796 [0,2,0,0,0,0|1,0,1]=4 13190 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100020610796_100000211839 [0,2,0,0,0,0|1,0,1]=4 13191 B14R1.161 Cc1ccccc1OCC(O)C(=O)[13CH3] 1458a_100011934399_200025704644 [0,2,0,0,0,0|2,0,0]=4 13192 B14R1.161 Cc1cccnc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000696600 [0,2,0,0,0,0|2,0,0]=4 13193 B14R1.161 Cc1ccncc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000690890 [0,2,0,0,0,0|2,0,0]=4 13194 B14R1.161 Cc1cnccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100020672808 [0,2,0,0,0,0|2,0,0]=4 13195 B14R1.161 Cc1ncccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000732876 [0,2,0,0,0,0|2,0,0]=4 13196 B14R1.161 NC(=O)C(F)NCc1ccccc1Br 2230a_100000689332_100009813875 [0,2,0,0,0,0|2,0,0]=4 13197 B14R1.161 NC(=O)C(F)NCc1ccccc1Br 34a_100000689332_100009813875 [0,2,0,0,0,0|2,0,0]=4 13198 B14R1.161 NC(=O)C(F)NCc1ccccc1Cl 2230a_100000174879_100009813875 [0,2,0,0,0,0|2,0,0]=4 13199 B14R1.161 NC(=O)C(F)NCc1ccccc1Cl 34a_100000174879_100009813875 [0,2,0,0,0,0|2,0,0]=4 13200 B14R1.161 NC(=O)C(F)NCc1ccccc1F 34a_100000174869_100009813875 [0,2,0,0,0,0|2,0,0]=4 13201 B14R1.161 NC(=O)C(F)NCc1ccccc1O 34a_100000185550_100009813875 [0,2,0,0,0,0|2,0,0]=4 13202 B14R1.161 NC(=O)C(F)OCc1ccccc1Br 34a_100000756307_100009813875 [0,2,0,0,0,0|2,0,0]=4 13203 B14R1.161 NC(=O)C(F)OCc1ccccc1Br 7a_100000756307_100009813875 [0,2,0,0,0,0|2,0,0]=4 13204 B14R1.161 NC(=O)C(F)OCc1ccccc1Cl 34a_100000210847_100009813875 [0,2,0,0,0,0|2,0,0]=4 13205 B14R1.161 NC(=O)C(F)OCc1ccccc1Cl 7a_100000210847_100009813875 [0,2,0,0,0,0|2,0,0]=4 13206 B14R1.161 NC(=O)C(F)OCc1ccccc1F 34a_100000211962_100009813875 [0,2,0,0,0,0|2,0,0]=4 13207 B14R1.161 NC(=O)C(F)OCc1ccccc1F 7a_100000211962_100009813875 [0,2,0,0,0,0|2,0,0]=4 13208 B14R1.161 NC(=O)C(F)OCc1ccccc1I 34a_100000187465_100009813875 [0,2,0,0,0,0|2,0,0]=4 13209 B14R1.161 NC(=O)C(F)OCc1ccccc1I 7a_100000187465_100009813875 [0,2,0,0,0,0|2,0,0]=4 13210 B14R1.161 NC(=O)C(F)OCc1ccccc1N 34a_100000212039_100009813875 [0,2,0,0,0,0|2,0,0]=4 13211 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100000184730_100009813875 [0,2,0,0,0,0|2,0,0]=4 13212 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100009813875_100000184730 [0,2,0,0,0,0|2,0,0]=4 13213 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100000187162_100009813875 [0,2,0,0,0,0|2,0,0]=4 13214 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100009813875_100000187162 [0,2,0,0,0,0|2,0,0]=4 13215 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100000211605_100009813875 [0,2,0,0,0,0|2,0,0]=4 13216 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100009813875_100000211605 [0,2,0,0,0,0|2,0,0]=4 13217 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100009813875_100011216222 [0,2,0,0,0,0|2,0,0]=4 13218 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100011216222_100009813875 [0,2,0,0,0,0|2,0,0]=4 13219 B14R1.161 Nc1ccccc1COC(F)C(=O)[O-] 34a_100000212039_100020610796 [0,2,0,0,0,0|1,0,1]=4 13220 B14R1.161 O=C([O-])C(F)NCc1ccccc1Br 34a_100000689332_100020610796 [0,2,0,0,0,0|1,0,1]=4 13221 B14R1.161 O=C([O-])C(F)NCc1ccccc1Cl 34a_100000174879_100020610796 [0,2,0,0,0,0|1,0,1]=4 13222 B14R1.161 O=C([O-])C(F)NCc1ccccc1F 34a_100000174869_100020610796 [0,2,0,0,0,0|1,0,1]=4 13223 B14R1.161 O=C([O-])C(F)NCc1ccccc1O 34a_100000185550_100020610796 [0,2,0,0,0,0|1,0,1]=4 13224 B14R1.161 O=C([O-])C(F)OCc1ccccc1Br 34a_100000756307_100020610796 [0,2,0,0,0,0|1,0,1]=4 13225 B14R1.161 O=C([O-])C(F)OCc1ccccc1Cl 34a_100000210847_100020610796 [0,2,0,0,0,0|1,0,1]=4 13226 B14R1.161 O=C([O-])C(F)OCc1ccccc1F 34a_100000211962_100020610796 [0,2,0,0,0,0|1,0,1]=4 13227 B14R1.161 O=C([O-])C(F)OCc1ccccc1I 34a_100000187465_100020610796 [0,2,0,0,0,0|1,0,1]=4 13228 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100000184730_100020610796 [0,2,0,0,0,0|1,0,1]=4 13229 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100020610796_100000184730 [0,2,0,0,0,0|1,0,1]=4 13230 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100000187162_100020610796 [0,2,0,0,0,0|1,0,1]=4 13231 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100020610796_100000187162 [0,2,0,0,0,0|1,0,1]=4 13232 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100000211605_100020610796 [0,2,0,0,0,0|1,0,1]=4 13233 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100020610796_100000211605 [0,2,0,0,0,0|1,0,1]=4 13234 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100011216222_100020610796 [0,2,0,0,0,0|1,0,1]=4 13235 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100020610796_100011216222 [0,2,0,0,0,0|1,0,1]=4 13236 B14R1.337 CC(=O)CC(=O)Cc1ccccc1Br 1458a_100000070787_100000700504 [0,2,0,0,0,0|1,0,1]=4 13237 B14R1.337 CC(=O)CC(=O)Cc1ccccc1C 1458a_100000070787_100011223134 [0,2,0,0,0,0|1,0,1]=4 13238 B14R1.337 CC(=O)CN(C)Cc1ccccc1F 1458a_100015184060_200000210301 [0,2,0,0,0,0|2,0,0]=4 13239 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 2230a_100000184654_100000747473 [0,2,0,0,0,0|2,0,0]=4 13240 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 2230a_100000739694_100000184730 [0,2,0,0,0,0|2,0,0]=4 13241 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 269982a_100000184654_100000187820 [0,2,0,0,0,0|2,0,0]=4 13242 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 270004a_100000739694_100000211189 [0,2,0,0,0,0|2,0,0]=4 13243 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 2230a_100000184507_100000747473 [0,2,0,0,0,0|2,0,0]=4 13244 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 2230a_100000739694_100000187162 [0,2,0,0,0,0|2,0,0]=4 13245 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 269982a_100000184507_100000187820 [0,2,0,0,0,0|2,0,0]=4 13246 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 270004a_100000739694_100000210073 [0,2,0,0,0,0|2,0,0]=4 13247 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 2230a_100000739694_100000211605 [0,2,0,0,0,0|2,0,0]=4 13248 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 2230a_100000742528_100000747473 [0,2,0,0,0,0|2,0,0]=4 13249 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 269982a_100000742528_100000187820 [0,2,0,0,0,0|2,0,0]=4 13250 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 270004a_100000739694_100000210811 [0,2,0,0,0,0|2,0,0]=4 13251 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 34a_100000742528_100000187820 [0,2,0,0,0,0|2,0,0]=4 13252 B14R1.337 CN(CC(=O)N)Cc1ccccc1I 2230a_100000739694_100011215278 [0,2,0,0,0,0|2,0,0]=4 13253 B14R1.337 CN(CC(=O)N)Cc1ccccc1I 270004a_100000739694_100000010305 [0,2,0,0,0,0|2,0,0]=4 13254 B14R1.337 CN(CC(=O)N)Cc1ccccc1O 2230a_100015189988_100000747473 [0,2,0,0,0,0|2,0,0]=4 13255 B14R1.337 CN(CC(=O)N)Cc1ccccc1O 269982a_100015189988_100000187820 [0,2,0,0,0,0|2,0,0]=4 13256 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200000210301 [0,2,0,0,0,0|1,0,0]=3 13257 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000746989_100000184730 [0,2,0,0,0,0|1,0,0]=3 13258 B14R1.337 CN(CC(=O)O)Cc1ccccc1Cl 269956a_100000746989_100000187162 [0,2,0,0,0,0|1,0,0]=3 13259 B14R1.337 CN(CC(=O)O)Cc1ccccc1F 269956a_100000746989_100000187165 [0,2,0,0,0,0|1,0,0]=3 13260 B14R1.337 CN(CC(=O)O)Cc1ccccc1I 269956a_100000746989_100011216222 [0,2,0,0,0,0|1,0,0]=3 13261 B14R1.337 CN(CC(=O)O)Cc1cccnc1Br 269956a_100000746989_100010140945 [0,2,0,0,0,0|2,0,0]=4 13262 B14R1.337 CN(CC(=O)O)Cc1cccnc1Cl 269956a_100000746989_100000045678 [0,2,0,0,0,0|2,0,0]=4 13263 B14R1.337 CN(CC(=O)O)Cc1cccnc1F 269956a_100000746989_100000099810 [0,2,0,0,0,0|2,0,0]=4 13264 B14R1.337 CN(CC(=O)O)Cc1ccncc1Cl 269956a_100000746989_100000763264 [0,2,0,0,0,0|2,0,0]=4 13265 B14R1.337 CN(CC(=O)O)Cc1ncccc1Br 269956a_100000746989_100025702911 [0,2,0,0,0,0|2,0,0]=4 13266 B14R1.337 CN(CC(=O)O)Cc1ncccc1Cl 269956a_100000746989_100000099807 [0,2,0,0,0,0|2,0,0]=4 13267 B14R1.337 CN(CC(=O)O)Cc1ncccc1F 269956a_100000746989_100000104219 [0,2,0,0,0,0|2,0,0]=4 13268 B14R1.337 CN(CC(=O)O)Cc1ncccc1O 269956a_100000746989_200020655725 [0,2,0,0,0,0|2,0,0]=4 13269 B14R1.337 CN(CC(=O)[13CH3])Cc1ccccc1F 1458a_100015184060_200025704644 [0,2,0,0,0,0|2,0,0]=4 13270 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1Br 269982a_100000184654_100020667443 [0,2,0,0,0,0|1,0,1]=4 13271 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1Cl 269982a_100000184507_100020667443 [0,2,0,0,0,0|1,0,1]=4 13272 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1F 269982a_100000742528_100020667443 [0,2,0,0,0,0|1,0,1]=4 13273 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1F 34a_100000742528_100020667443 [0,2,0,0,0,0|1,0,1]=4 13274 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1O 269982a_100015189988_100020667443 [0,2,0,0,0,0|1,0,1]=4 13275 B14R1.337 Cc1ccccc1CC(=O)CC(=O)N 1458a_100000212180_100000187820 [0,2,0,0,0,0|1,0,1]=4 13276 B14R1.337 Cc1ccccc1CC(=O)CC(=O)N 1458a_100134613110_100000211839 [0,2,0,0,0,0|1,0,1]=4 13277 B14R1.337 Cc1ccccc1CC(=O)CC(=O)[O-] 1458a_100000212180_100020667443 [0,2,0,0,0,0|0,0,2]=4 13278 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 2230a_100000184421_100000747473 [0,2,0,0,0,0|2,0,0]=4 13279 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 2230a_100000739694_100000211839 [0,2,0,0,0,0|2,0,0]=4 13280 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 269982a_100000184421_100000187820 [0,2,0,0,0,0|2,0,0]=4 13281 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 270004a_100000739694_100000211143 [0,2,0,0,0,0|2,0,0]=4 13282 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_100000746989_100000211750 [0,2,0,0,0,0|1,0,0]=3 13283 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_200000743881_200000210301 [0,2,0,0,0,0|1,0,0]=3 13284 B14R1.337 Cc1ccccc1CN(C)CC(=O)[O-] 269982a_100000184421_100020667443 [0,2,0,0,0,0|1,0,1]=4 13285 B14R1.337 Cc1ccccc1CN([13CH3])CC(=O)O 269956a_200000743881_200025704644 [0,2,0,0,0,0|1,0,0]=3 13286 B14R1.337 Cc1cccnc1CN(C)CC(=O)O 269956a_100000746989_100000696600 [0,2,0,0,0,0|2,0,0]=4 13287 B14R1.337 Cc1ccncc1CN(C)CC(=O)O 269956a_100000746989_100000690890 [0,2,0,0,0,0|2,0,0]=4 13288 B14R1.337 Cc1cnccc1CN(C)CC(=O)O 269956a_100000746989_100020672808 [0,2,0,0,0,0|2,0,0]=4 13289 B14R1.337 Cc1ncccc1CN(C)CC(=O)O 269956a_100000746989_100000732876 [0,2,0,0,0,0|2,0,0]=4 13290 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000187820 [0,2,0,0,0,0|1,0,1]=4 13291 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Br 1458a_100134613110_100000184730 [0,2,0,0,0,0|1,0,1]=4 13292 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000187820 [0,2,0,0,0,0|1,0,1]=4 13293 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Cl 1458a_100134613110_100000187162 [0,2,0,0,0,0|1,0,1]=4 13294 B14R1.337 NC(=O)CC(=O)Cc1ccccc1F 1458a_100000212012_100000187820 [0,2,0,0,0,0|1,0,1]=4 13295 B14R1.337 NC(=O)CC(=O)Cc1ccccc1F 1458a_100134613110_100000187165 [0,2,0,0,0,0|1,0,1]=4 13296 B14R1.337 NC(=O)CC(=O)Cc1ccccc1I 1458a_100000036491_100000187820 [0,2,0,0,0,0|1,0,1]=4 13297 B14R1.337 NC(=O)CC(=O)Cc1ccccc1I 1458a_100134613110_100011216222 [0,2,0,0,0,0|1,0,1]=4 13298 B14R1.337 NC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000187820 [0,2,0,0,0,0|1,0,1]=4 13299 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1Br 1458a_100000751119_100020667443 [0,2,0,0,0,0|0,0,2]=4 13300 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1Cl 1458a_100000183793_100020667443 [0,2,0,0,0,0|0,0,2]=4 13301 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1F 1458a_100000212012_100020667443 [0,2,0,0,0,0|0,0,2]=4 13302 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1I 1458a_100000036491_100020667443 [0,2,0,0,0,0|0,0,2]=4 13303 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1O 1458a_100000743006_100020667443 [0,2,0,0,0,0|0,0,2]=4 13304 B14R1.337 [13CH3]N(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200025704644 [0,2,0,0,0,0|1,0,0]=3 13305 B14R1.837 C#CC(=O)CCCc1ccccc1Br 1458a_100000211873_200011713681 [0,2,0,0,0,0|1,0,0]=3 13306 B14R1.837 C#CC(=O)CCOc1ccccc1Br 1458a_100000211873_100000695877 [0,2,0,0,0,0|2,0,0]=4 13307 B14R1.837 C#CC(=O)CCOc1ccccc1C 1458a_100000211873_100000184434 [0,2,0,0,0,0|2,0,0]=4 13308 B14R1.837 C#CC(=O)CCOc1ccccc1F 1458a_100000211873_100000183290 [0,2,0,0,0,0|2,0,0]=4 13309 B14R1.837 C=CC(=O)CCCc1ccccc1Br 1458a_100000185746_200011713681 [0,2,0,0,0,0|1,0,0]=3 13310 B14R1.837 C=CC(=O)CCOc1ccccc1Br 1458a_100000185746_100000695877 [0,2,0,0,0,0|2,0,0]=4 13311 B14R1.837 C=CC(=O)CCOc1ccccc1C 1458a_100000185746_100000184434 [0,2,0,0,0,0|2,0,0]=4 13312 B14R1.837 C=CC(=O)CCOc1ccccc1F 1458a_100000185746_100000183290 [0,2,0,0,0,0|2,0,0]=4 13313 B14R1.837 C=CC(=O)NCCc1ccccc1Br 1626a_100000747383_100000185746 [0,2,0,0,0,0|2,0,0]=4 13314 B14R1.837 C=CC(=O)NCCc1ccccc1Br 240690a_100000747383_200121576911 [0,2,0,0,0,0|2,0,0]=4 13315 B14R1.837 C=CC(=O)NCCc1ccccc1C 1626a_100000685071_100000185746 [0,2,0,0,0,0|2,0,0]=4 13316 B14R1.837 C=CC(=O)NCCc1ccccc1C 240690a_100000685071_200121576911 [0,2,0,0,0,0|2,0,0]=4 13317 B14R1.837 C=CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100000185746 [0,2,0,0,0,0|2,0,0]=4 13318 B14R1.837 C=CC(=O)NCCc1ccccc1Cl 240690a_100011207228_200121576911 [0,2,0,0,0,0|2,0,0]=4 13319 B14R1.837 C=CC(=O)NCCc1ccccc1F 1626a_100000185272_100000185746 [0,2,0,0,0,0|2,0,0]=4 13320 B14R1.837 C=CC(=O)NCCc1ccccc1F 240690a_100000185272_200121576911 [0,2,0,0,0,0|2,0,0]=4 13321 B14R1.837 C=CC(=O)NCCc1ccccc1O 240690a_100011207237_200121576911 [0,2,0,0,0,0|2,0,0]=4 13322 B14R1.837 CCC(=O)CCCc1ccccc1Br 1458a_100000210414_200011713681 [0,2,0,0,0,0|1,0,0]=3 13323 B14R1.837 CCC(=O)CCCc1ccccc1Cl 1458a_100000700343_100000210202 [0,2,0,0,0,0|1,0,0]=3 13324 B14R1.837 CCC(=O)CCCc1ccccc1O 1458a_100009859317_100000210202 [0,2,0,0,0,0|1,0,0]=3 13325 B14R1.837 CCC(=O)CCOc1ccccc1Br 1458a_100000210414_100000695877 [0,2,0,0,0,0|2,0,0]=4 13326 B14R1.837 CCC(=O)CCOc1ccccc1Br 1458a_100000740817_100000210202 [0,2,0,0,0,0|2,0,0]=4 13327 B14R1.837 CCC(=O)CCOc1ccccc1C 1458a_100000182324_100000210202 [0,2,0,0,0,0|2,0,0]=4 13328 B14R1.837 CCC(=O)CCOc1ccccc1C 1458a_100000210414_100000184434 [0,2,0,0,0,0|2,0,0]=4 13329 B14R1.837 CCC(=O)CCOc1ccccc1Cl 1458a_100000240438_100000210202 [0,2,0,0,0,0|2,0,0]=4 13330 B14R1.837 CCC(=O)CCOc1ccccc1F 1458a_100000184057_100000210202 [0,2,0,0,0,0|2,0,0]=4 13331 B14R1.837 CCC(=O)CCOc1ccccc1F 1458a_100000210414_100000183290 [0,2,0,0,0,0|2,0,0]=4 13332 B14R1.837 CCC(=O)CCSc1ccccc1F 1458a_100000208832_100000210202 [0,2,0,0,0,0|2,0,0]=4 13333 B14R1.837 CCC(=O)COCc1ccccc1Br 34a_100000725409_100000184730 [0,2,0,0,0,0|2,0,0]=4 13334 B14R1.837 CCC(=O)COCc1ccccc1Br 7a_100000756307_100000747405 [0,2,0,0,0,0|2,0,0]=4 13335 B14R1.837 CCC(=O)COCc1ccccc1C 34a_100000725409_100000211839 [0,2,0,0,0,0|2,0,0]=4 13336 B14R1.837 CCC(=O)COCc1ccccc1C 7a_100000698903_100000747405 [0,2,0,0,0,0|2,0,0]=4 13337 B14R1.837 CCC(=O)COCc1ccccc1Cl 34a_100000725409_100000187162 [0,2,0,0,0,0|2,0,0]=4 13338 B14R1.837 CCC(=O)COCc1ccccc1Cl 7a_100000210847_100000747405 [0,2,0,0,0,0|2,0,0]=4 13339 B14R1.837 CCC(=O)COCc1ccccc1F 34a_100000725409_100000211605 [0,2,0,0,0,0|2,0,0]=4 13340 B14R1.837 CCC(=O)COCc1ccccc1F 7a_100000211962_100000747405 [0,2,0,0,0,0|2,0,0]=4 13341 B14R1.837 CCC(=O)COCc1ccccc1I 34a_100000725409_100011215278 [0,2,0,0,0,0|2,0,0]=4 13342 B14R1.837 CCC(=O)COCc1ccccc1I 7a_100000187465_100000747405 [0,2,0,0,0,0|2,0,0]=4 13343 B14R1.837 CCC(=O)CSCc1ccccc1Br 62a_100000184730_100000747405 [0,2,0,0,0,0|2,0,0]=4 13344 B14R1.837 CCC(=O)CSCc1ccccc1Br 62a_100000747405_100000184730 [0,2,0,0,0,0|2,0,0]=4 13345 B14R1.837 CCC(=O)CSCc1ccccc1C 1458a_100000150258_100000210202 [0,2,0,0,0,0|2,0,0]=4 13346 B14R1.837 CCC(=O)CSCc1ccccc1C 62a_100000211839_100000747405 [0,2,0,0,0,0|2,0,0]=4 13347 B14R1.837 CCC(=O)CSCc1ccccc1C 62a_100000747405_100000211839 [0,2,0,0,0,0|2,0,0]=4 13348 B14R1.837 CCC(=O)CSCc1ccccc1Cl 1458a_100000150270_100000210202 [0,2,0,0,0,0|2,0,0]=4 13349 B14R1.837 CCC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747405 [0,2,0,0,0,0|2,0,0]=4 13350 B14R1.837 CCC(=O)CSCc1ccccc1Cl 62a_100000747405_100000187162 [0,2,0,0,0,0|2,0,0]=4 13351 B14R1.837 CCC(=O)CSCc1ccccc1F 1458a_100000150260_100000210202 [0,2,0,0,0,0|2,0,0]=4 13352 B14R1.837 CCC(=O)CSCc1ccccc1F 62a_100000211605_100000747405 [0,2,0,0,0,0|2,0,0]=4 13353 B14R1.837 CCC(=O)CSCc1ccccc1F 62a_100000747405_100000211605 [0,2,0,0,0,0|2,0,0]=4 13354 B14R1.837 CCC(=O)CSCc1ccccc1I 62a_100000747405_100011216222 [0,2,0,0,0,0|2,0,0]=4 13355 B14R1.837 CCC(=O)CSCc1ccccc1I 62a_100011216222_100000747405 [0,2,0,0,0,0|2,0,0]=4 13356 B14R1.837 CCC(=O)NCCc1ccccc1Br 11a_100000747383_100000210414 [0,2,0,0,0,0|2,0,0]=4 13357 B14R1.837 CCC(=O)NCCc1ccccc1Br 1626a_100000747383_100000210414 [0,2,0,0,0,0|2,0,0]=4 13358 B14R1.837 CCC(=O)NCCc1ccccc1Br 240690a_100000747383_100000210414 [0,2,0,0,0,0|2,0,0]=4 13359 B14R1.837 CCC(=O)NCCc1ccccc1Br 527a_100000747383_100000210414 [0,2,0,0,0,0|2,0,0]=4 13360 B14R1.837 CCC(=O)NCCc1ccccc1C 11a_100000685071_100000210414 [0,2,0,0,0,0|2,0,0]=4 13361 B14R1.837 CCC(=O)NCCc1ccccc1C 1626a_100000685071_100000210414 [0,2,0,0,0,0|2,0,0]=4 13362 B14R1.837 CCC(=O)NCCc1ccccc1C 240690a_100000685071_100000210414 [0,2,0,0,0,0|2,0,0]=4 13363 B14R1.837 CCC(=O)NCCc1ccccc1C 527a_100000685071_100000210414 [0,2,0,0,0,0|2,0,0]=4 13364 B14R1.837 CCC(=O)NCCc1ccccc1Cl 11a_100011207228_100000210414 [0,2,0,0,0,0|2,0,0]=4 13365 B14R1.837 CCC(=O)NCCc1ccccc1Cl 1626a_100011207228_100000210414 [0,2,0,0,0,0|2,0,0]=4 13366 B14R1.837 CCC(=O)NCCc1ccccc1Cl 240690a_100011207228_100000210414 [0,2,0,0,0,0|2,0,0]=4 13367 B14R1.837 CCC(=O)NCCc1ccccc1Cl 527a_100011207228_100000210414 [0,2,0,0,0,0|2,0,0]=4 13368 B14R1.837 CCC(=O)NCCc1ccccc1F 11a_100000185272_100000210414 [0,2,0,0,0,0|2,0,0]=4 13369 B14R1.837 CCC(=O)NCCc1ccccc1F 1626a_100000185272_100000210414 [0,2,0,0,0,0|2,0,0]=4 13370 B14R1.837 CCC(=O)NCCc1ccccc1F 240690a_100000185272_100000210414 [0,2,0,0,0,0|2,0,0]=4 13371 B14R1.837 CCC(=O)NCCc1ccccc1F 527a_100000185272_100000210414 [0,2,0,0,0,0|2,0,0]=4 13372 B14R1.837 CCC(=O)NCCc1ccccc1O 240690a_100011207237_100000210414 [0,2,0,0,0,0|2,0,0]=4 13373 B14R1.837 CCC(=O)NCCc1ccccc1O 527a_100011207237_100000210414 [0,2,0,0,0,0|2,0,0]=4 13374 B14R1.837 CNC(=O)CCCc1ccccc1Cl 11a_106832991635_100000700343 [0,2,0,0,0,0|1,0,0]=3 13375 B14R1.837 CNC(=O)CCCc1ccccc1Cl 1626a_100102657272_100000700343 [0,2,0,0,0,0|1,0,0]=3 13376 B14R1.837 CNC(=O)CCCc1ccccc1Cl 240690a_100102657272_100000700343 [0,2,0,0,0,0|1,0,0]=3 13377 B14R1.837 CNC(=O)CCCc1ccccc1Cl 527a_100102657272_100000700343 [0,2,0,0,0,0|1,0,0]=3 13378 B14R1.837 CNC(=O)CCCc1ccccc1O 240690a_100102657272_100009859317 [0,2,0,0,0,0|1,0,0]=3 13379 B14R1.837 CNC(=O)CCCc1ccccc1O 527a_100102657272_100009859317 [0,2,0,0,0,0|1,0,0]=3 13380 B14R1.837 CNC(=O)CCNc1ccccc1Br 34a_100000210017_100012179268 [0,2,0,0,0,0|2,0,0]=4 13381 B14R1.837 CNC(=O)CCNc1ccccc1C 34a_100015192222_100012179268 [0,2,0,0,0,0|2,0,0]=4 13382 B14R1.837 CNC(=O)CCNc1ccccc1Cl 34a_100000185783_100012179268 [0,2,0,0,0,0|2,0,0]=4 13383 B14R1.837 CNC(=O)CCNc1ccccc1F 34a_100000210422_100012179268 [0,2,0,0,0,0|2,0,0]=4 13384 B14R1.837 CNC(=O)CCNc1ccccc1I 34a_100000210053_100012179268 [0,2,0,0,0,0|2,0,0]=4 13385 B14R1.837 CNC(=O)CCNc1ccccc1O 34a_100000185747_100012179268 [0,2,0,0,0,0|2,0,0]=4 13386 B14R1.837 CNC(=O)CCOc1ccccc1Br 240690a_100102657272_100000740817 [0,2,0,0,0,0|2,0,0]=4 13387 B14R1.837 CNC(=O)CCOc1ccccc1Br 34a_100000181306_100012179268 [0,2,0,0,0,0|2,0,0]=4 13388 B14R1.837 CNC(=O)CCOc1ccccc1Br 7a_100000181306_100000737683 [0,2,0,0,0,0|2,0,0]=4 13389 B14R1.837 CNC(=O)CCOc1ccccc1C 11a_106832991635_100000182324 [0,2,0,0,0,0|2,0,0]=4 13390 B14R1.837 CNC(=O)CCOc1ccccc1C 1626a_100102657272_100000182324 [0,2,0,0,0,0|2,0,0]=4 13391 B14R1.837 CNC(=O)CCOc1ccccc1C 240690a_100102657272_100000182324 [0,2,0,0,0,0|2,0,0]=4 13392 B14R1.837 CNC(=O)CCOc1ccccc1C 34a_100000210338_100012179268 [0,2,0,0,0,0|2,0,0]=4 13393 B14R1.837 CNC(=O)CCOc1ccccc1C 7a_100000210338_100000737683 [0,2,0,0,0,0|2,0,0]=4 13394 B14R1.837 CNC(=O)CCOc1ccccc1Cl 1626a_100102657272_100000240438 [0,2,0,0,0,0|2,0,0]=4 13395 B14R1.837 CNC(=O)CCOc1ccccc1Cl 240690a_100102657272_100000240438 [0,2,0,0,0,0|2,0,0]=4 13396 B14R1.837 CNC(=O)CCOc1ccccc1Cl 34a_100000210172_100012179268 [0,2,0,0,0,0|2,0,0]=4 13397 B14R1.837 CNC(=O)CCOc1ccccc1Cl 7a_100000210172_100000737683 [0,2,0,0,0,0|2,0,0]=4 13398 B14R1.837 CNC(=O)CCOc1ccccc1F 1626a_100102657272_100000184057 [0,2,0,0,0,0|2,0,0]=4 13399 B14R1.837 CNC(=O)CCOc1ccccc1F 240690a_100102657272_100000184057 [0,2,0,0,0,0|2,0,0]=4 13400 B14R1.837 CNC(=O)CCOc1ccccc1F 34a_100000210171_100012179268 [0,2,0,0,0,0|2,0,0]=4 13401 B14R1.837 CNC(=O)CCOc1ccccc1F 7a_100000210171_100000737683 [0,2,0,0,0,0|2,0,0]=4 13402 B14R1.837 CNC(=O)CCOc1ccccc1I 34a_100000739446_100012179268 [0,2,0,0,0,0|2,0,0]=4 13403 B14R1.837 CNC(=O)CCOc1ccccc1I 7a_100000739446_100000737683 [0,2,0,0,0,0|2,0,0]=4 13404 B14R1.837 CNC(=O)CCOc1ccccc1N 34a_100000185747_100012179268 [0,2,0,0,0,0|2,0,0]=4 13405 B14R1.837 CNC(=O)CCOc1ccccc1N 7a_100000185747_100000737683 [0,2,0,0,0,0|2,0,0]=4 13406 B14R1.837 CNC(=O)CCSc1ccccc1Br 62a_100000695589_100000737683 [0,2,0,0,0,0|2,0,0]=4 13407 B14R1.837 CNC(=O)CCSc1ccccc1Br 62a_100000737683_100000695589 [0,2,0,0,0,0|2,0,0]=4 13408 B14R1.837 CNC(=O)CCSc1ccccc1C 62a_100000210755_100000737683 [0,2,0,0,0,0|2,0,0]=4 13409 B14R1.837 CNC(=O)CCSc1ccccc1C 62a_100000737683_100000210755 [0,2,0,0,0,0|2,0,0]=4 13410 B14R1.837 CNC(=O)CCSc1ccccc1Cl 62a_100000737683_100000764095 [0,2,0,0,0,0|2,0,0]=4 13411 B14R1.837 CNC(=O)CCSc1ccccc1Cl 62a_100000764095_100000737683 [0,2,0,0,0,0|2,0,0]=4 13412 B14R1.837 CNC(=O)CCSc1ccccc1F 11a_106832991635_100000208832 [0,2,0,0,0,0|2,0,0]=4 13413 B14R1.837 CNC(=O)CCSc1ccccc1F 1626a_100102657272_100000208832 [0,2,0,0,0,0|2,0,0]=4 13414 B14R1.837 CNC(=O)CCSc1ccccc1F 240690a_100102657272_100000208832 [0,2,0,0,0,0|2,0,0]=4 13415 B14R1.837 CNC(=O)CCSc1ccccc1F 527a_100102657272_100000208832 [0,2,0,0,0,0|2,0,0]=4 13416 B14R1.837 CNC(=O)CCSc1ccccc1F 62a_100000737683_100011215700 [0,2,0,0,0,0|2,0,0]=4 13417 B14R1.837 CNC(=O)CCSc1ccccc1F 62a_100011215700_100000737683 [0,2,0,0,0,0|2,0,0]=4 13418 B14R1.837 CNC(=O)CCSc1ccccc1N 62a_100000210017_100000737683 [0,2,0,0,0,0|2,0,0]=4 13419 B14R1.837 CNC(=O)CCSc1ccccc1N 62a_100000737683_100000210017 [0,2,0,0,0,0|2,0,0]=4 13420 B14R1.837 CNC(=O)CCSc1ccccc1O 62a_100000737683_100000739446 [0,2,0,0,0,0|2,0,0]=4 13421 B14R1.837 CNC(=O)CCSc1ccccc1O 62a_100000739446_100000737683 [0,2,0,0,0,0|2,0,0]=4 13422 B14R1.837 CNC(=O)CNCc1ccccc1Br 207a_100000693194_100000211189 [0,2,0,0,0,0|2,0,0]=4 13423 B14R1.837 CNC(=O)CNCc1ccccc1Br 2230a_100000689332_100000183359 [0,2,0,0,0,0|2,0,0]=4 13424 B14R1.837 CNC(=O)CNCc1ccccc1Br 2230a_100000693194_100000184730 [0,2,0,0,0,0|2,0,0]=4 13425 B14R1.837 CNC(=O)CNCc1ccccc1Br 270004a_100000693194_100000211189 [0,2,0,0,0,0|2,0,0]=4 13426 B14R1.837 CNC(=O)CNCc1ccccc1Br 34a_100000689332_100000183359 [0,2,0,0,0,0|2,0,0]=4 13427 B14R1.837 CNC(=O)CNCc1ccccc1C 207a_100000693194_100000211143 [0,2,0,0,0,0|2,0,0]=4 13428 B14R1.837 CNC(=O)CNCc1ccccc1C 2230a_100000693194_100000211839 [0,2,0,0,0,0|2,0,0]=4 13429 B14R1.837 CNC(=O)CNCc1ccccc1C 270004a_100000693194_100000211143 [0,2,0,0,0,0|2,0,0]=4 13430 B14R1.837 CNC(=O)CNCc1ccccc1C 34a_100000174972_100000183359 [0,2,0,0,0,0|2,0,0]=4 13431 B14R1.837 CNC(=O)CNCc1ccccc1Cl 207a_100000693194_100000210073 [0,2,0,0,0,0|2,0,0]=4 13432 B14R1.837 CNC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000183359 [0,2,0,0,0,0|2,0,0]=4 13433 B14R1.837 CNC(=O)CNCc1ccccc1Cl 2230a_100000693194_100000187162 [0,2,0,0,0,0|2,0,0]=4 13434 B14R1.837 CNC(=O)CNCc1ccccc1Cl 270004a_100000693194_100000210073 [0,2,0,0,0,0|2,0,0]=4 13435 B14R1.837 CNC(=O)CNCc1ccccc1Cl 34a_100000174879_100000183359 [0,2,0,0,0,0|2,0,0]=4 13436 B14R1.837 CNC(=O)CNCc1ccccc1F 207a_100000693194_100000210811 [0,2,0,0,0,0|2,0,0]=4 13437 B14R1.837 CNC(=O)CNCc1ccccc1F 2230a_100000693194_100000211605 [0,2,0,0,0,0|2,0,0]=4 13438 B14R1.837 CNC(=O)CNCc1ccccc1F 270004a_100000693194_100000210811 [0,2,0,0,0,0|2,0,0]=4 13439 B14R1.837 CNC(=O)CNCc1ccccc1F 34a_100000174869_100000183359 [0,2,0,0,0,0|2,0,0]=4 13440 B14R1.837 CNC(=O)CNCc1ccccc1I 207a_100000693194_100000010305 [0,2,0,0,0,0|2,0,0]=4 13441 B14R1.837 CNC(=O)CNCc1ccccc1I 2230a_100000693194_100011215278 [0,2,0,0,0,0|2,0,0]=4 13442 B14R1.837 CNC(=O)CNCc1ccccc1I 270004a_100000693194_100000010305 [0,2,0,0,0,0|2,0,0]=4 13443 B14R1.837 CNC(=O)CNCc1ccccc1O 34a_100000185550_100000183359 [0,2,0,0,0,0|2,0,0]=4 13444 B14R1.837 CNC(=O)COCc1ccccc1Br 34a_100000750040_100000184730 [0,2,0,0,0,0|2,0,0]=4 13445 B14R1.837 CNC(=O)COCc1ccccc1Br 34a_100000756307_100000183359 [0,2,0,0,0,0|2,0,0]=4 13446 B14R1.837 CNC(=O)COCc1ccccc1Br 7a_100000756307_100000183359 [0,2,0,0,0,0|2,0,0]=4 13447 B14R1.837 CNC(=O)COCc1ccccc1C 34a_100000698903_100000183359 [0,2,0,0,0,0|2,0,0]=4 13448 B14R1.837 CNC(=O)COCc1ccccc1C 34a_100000750040_100000211839 [0,2,0,0,0,0|2,0,0]=4 13449 B14R1.837 CNC(=O)COCc1ccccc1C 7a_100000698903_100000183359 [0,2,0,0,0,0|2,0,0]=4 13450 B14R1.837 CNC(=O)COCc1ccccc1Cl 34a_100000210847_100000183359 [0,2,0,0,0,0|2,0,0]=4 13451 B14R1.837 CNC(=O)COCc1ccccc1Cl 34a_100000750040_100000187162 [0,2,0,0,0,0|2,0,0]=4 13452 B14R1.837 CNC(=O)COCc1ccccc1Cl 7a_100000210847_100000183359 [0,2,0,0,0,0|2,0,0]=4 13453 B14R1.837 CNC(=O)COCc1ccccc1F 34a_100000211962_100000183359 [0,2,0,0,0,0|2,0,0]=4 13454 B14R1.837 CNC(=O)COCc1ccccc1F 34a_100000750040_100000211605 [0,2,0,0,0,0|2,0,0]=4 13455 B14R1.837 CNC(=O)COCc1ccccc1F 7a_100000211962_100000183359 [0,2,0,0,0,0|2,0,0]=4 13456 B14R1.837 CNC(=O)COCc1ccccc1I 34a_100000187465_100000183359 [0,2,0,0,0,0|2,0,0]=4 13457 B14R1.837 CNC(=O)COCc1ccccc1I 34a_100000750040_100011215278 [0,2,0,0,0,0|2,0,0]=4 13458 B14R1.837 CNC(=O)COCc1ccccc1I 7a_100000187465_100000183359 [0,2,0,0,0,0|2,0,0]=4 13459 B14R1.837 CNC(=O)COCc1ccccc1N 34a_100000212039_100000183359 [0,2,0,0,0,0|2,0,0]=4 13460 B14R1.837 CNC(=O)CSCc1ccccc1Br 62a_100000183359_100000184730 [0,2,0,0,0,0|2,0,0]=4 13461 B14R1.837 CNC(=O)CSCc1ccccc1Br 62a_100000184730_100000183359 [0,2,0,0,0,0|2,0,0]=4 13462 B14R1.837 CNC(=O)CSCc1ccccc1C 11a_106832991635_100000150258 [0,2,0,0,0,0|2,0,0]=4 13463 B14R1.837 CNC(=O)CSCc1ccccc1C 1626a_100102657272_100000150258 [0,2,0,0,0,0|2,0,0]=4 13464 B14R1.837 CNC(=O)CSCc1ccccc1C 240690a_100102657272_100000150258 [0,2,0,0,0,0|2,0,0]=4 13465 B14R1.837 CNC(=O)CSCc1ccccc1C 527a_100102657272_100000150258 [0,2,0,0,0,0|2,0,0]=4 13466 B14R1.837 CNC(=O)CSCc1ccccc1C 62a_100000183359_100000211839 [0,2,0,0,0,0|2,0,0]=4 13467 B14R1.837 CNC(=O)CSCc1ccccc1C 62a_100000211839_100000183359 [0,2,0,0,0,0|2,0,0]=4 13468 B14R1.837 CNC(=O)CSCc1ccccc1Cl 11a_106832991635_100000150270 [0,2,0,0,0,0|2,0,0]=4 13469 B14R1.837 CNC(=O)CSCc1ccccc1Cl 1626a_100102657272_100000150270 [0,2,0,0,0,0|2,0,0]=4 13470 B14R1.837 CNC(=O)CSCc1ccccc1Cl 240690a_100102657272_100000150270 [0,2,0,0,0,0|2,0,0]=4 13471 B14R1.837 CNC(=O)CSCc1ccccc1Cl 527a_100102657272_100000150270 [0,2,0,0,0,0|2,0,0]=4 13472 B14R1.837 CNC(=O)CSCc1ccccc1Cl 62a_100000183359_100000187162 [0,2,0,0,0,0|2,0,0]=4 13473 B14R1.837 CNC(=O)CSCc1ccccc1Cl 62a_100000187162_100000183359 [0,2,0,0,0,0|2,0,0]=4 13474 B14R1.837 CNC(=O)CSCc1ccccc1F 11a_106832991635_100000150260 [0,2,0,0,0,0|2,0,0]=4 13475 B14R1.837 CNC(=O)CSCc1ccccc1F 1626a_100102657272_100000150260 [0,2,0,0,0,0|2,0,0]=4 13476 B14R1.837 CNC(=O)CSCc1ccccc1F 240690a_100102657272_100000150260 [0,2,0,0,0,0|2,0,0]=4 13477 B14R1.837 CNC(=O)CSCc1ccccc1F 527a_100102657272_100000150260 [0,2,0,0,0,0|2,0,0]=4 13478 B14R1.837 CNC(=O)CSCc1ccccc1F 62a_100000183359_100000211605 [0,2,0,0,0,0|2,0,0]=4 13479 B14R1.837 CNC(=O)CSCc1ccccc1F 62a_100000211605_100000183359 [0,2,0,0,0,0|2,0,0]=4 13480 B14R1.837 CNC(=O)CSCc1ccccc1I 62a_100000183359_100011216222 [0,2,0,0,0,0|2,0,0]=4 13481 B14R1.837 CNC(=O)CSCc1ccccc1I 62a_100011216222_100000183359 [0,2,0,0,0,0|2,0,0]=4 13482 B14R1.837 CNC(=O)NCCc1ccccc1Br 2708a_100000747383_106832991635 [0,2,0,0,0,0|2,0,0]=4 13483 B14R1.837 CNC(=O)NCCc1ccccc1Br 2708a_100102657272_100000747383 [0,2,0,0,0,0|2,0,0]=4 13484 B14R1.837 CNC(=O)NCCc1ccccc1Br 273464a_100000747383_100102657272 [0,2,0,0,0,0|2,0,0]=4 13485 B14R1.837 CNC(=O)NCCc1ccccc1Br 273464a_100102657272_100000747383 [0,2,0,0,0,0|2,0,0]=4 13486 B14R1.837 CNC(=O)NCCc1ccccc1Br 512a_100000747383_100102657272 [0,2,0,0,0,0|2,0,0]=4 13487 B14R1.837 CNC(=O)NCCc1ccccc1Br 512a_106832991638_100000747383 [0,2,0,0,0,0|2,0,0]=4 13488 B14R1.837 CNC(=O)NCCc1ccccc1C 2708a_100000685071_106832991635 [0,2,0,0,0,0|2,0,0]=4 13489 B14R1.837 CNC(=O)NCCc1ccccc1C 2708a_100102657272_100000685071 [0,2,0,0,0,0|2,0,0]=4 13490 B14R1.837 CNC(=O)NCCc1ccccc1C 273464a_100000685071_100102657272 [0,2,0,0,0,0|2,0,0]=4 13491 B14R1.837 CNC(=O)NCCc1ccccc1C 273464a_100102657272_100000685071 [0,2,0,0,0,0|2,0,0]=4 13492 B14R1.837 CNC(=O)NCCc1ccccc1C 512a_100000685071_100102657272 [0,2,0,0,0,0|2,0,0]=4 13493 B14R1.837 CNC(=O)NCCc1ccccc1C 512a_106832991638_100000685071 [0,2,0,0,0,0|2,0,0]=4 13494 B14R1.837 CNC(=O)NCCc1ccccc1Cl 2708a_100011207228_106832991635 [0,2,0,0,0,0|2,0,0]=4 13495 B14R1.837 CNC(=O)NCCc1ccccc1Cl 2708a_100102657272_100011207228 [0,2,0,0,0,0|2,0,0]=4 13496 B14R1.837 CNC(=O)NCCc1ccccc1Cl 273464a_100011207228_100102657272 [0,2,0,0,0,0|2,0,0]=4 13497 B14R1.837 CNC(=O)NCCc1ccccc1Cl 273464a_100102657272_100011207228 [0,2,0,0,0,0|2,0,0]=4 13498 B14R1.837 CNC(=O)NCCc1ccccc1Cl 512a_100011207228_100102657272 [0,2,0,0,0,0|2,0,0]=4 13499 B14R1.837 CNC(=O)NCCc1ccccc1Cl 512a_106832991638_100011207228 [0,2,0,0,0,0|2,0,0]=4 13500 B14R1.837 CNC(=O)NCCc1ccccc1F 2708a_100000185272_106832991635 [0,2,0,0,0,0|2,0,0]=4 13501 B14R1.837 CNC(=O)NCCc1ccccc1F 2708a_100102657272_100000185272 [0,2,0,0,0,0|2,0,0]=4 13502 B14R1.837 CNC(=O)NCCc1ccccc1F 273464a_100000185272_100102657272 [0,2,0,0,0,0|2,0,0]=4 13503 B14R1.837 CNC(=O)NCCc1ccccc1F 273464a_100102657272_100000185272 [0,2,0,0,0,0|2,0,0]=4 13504 B14R1.837 CNC(=O)NCCc1ccccc1F 512a_100000185272_100102657272 [0,2,0,0,0,0|2,0,0]=4 13505 B14R1.837 CNC(=O)NCCc1ccccc1F 512a_106832991638_100000185272 [0,2,0,0,0,0|2,0,0]=4 13506 B14R1.837 CNC(=O)NCCc1ccccc1O 2708a_100011207237_106832991635 [0,2,0,0,0,0|2,0,0]=4 13507 B14R1.837 CNC(=O)NCCc1ccccc1O 2708a_100102657272_100011207237 [0,2,0,0,0,0|2,0,0]=4 13508 B14R1.837 CNC(=O)NCCc1ccccc1O 273464a_100011207237_100102657272 [0,2,0,0,0,0|2,0,0]=4 13509 B14R1.837 CNC(=O)NCCc1ccccc1O 273464a_100102657272_100011207237 [0,2,0,0,0,0|2,0,0]=4 13510 B14R1.837 CNC(=O)NCCc1ccccc1O 512a_100011207237_100102657272 [0,2,0,0,0,0|2,0,0]=4 13511 B14R1.837 CNC(=O)NCCc1ccccc1O 512a_106832991638_100011207237 [0,2,0,0,0,0|2,0,0]=4 13512 B14R1.837 COC(=O)CCNc1ccccc1Br 34a_100000210017_100000742370 [0,2,0,0,0,0|1,0,0]=3 13513 B14R1.837 COC(=O)CCNc1ccccc1C 34a_100015192222_100000742370 [0,2,0,0,0,0|1,0,0]=3 13514 B14R1.837 COC(=O)CCNc1ccccc1Cl 34a_100000185783_100000742370 [0,2,0,0,0,0|1,0,0]=3 13515 B14R1.837 COC(=O)CCNc1ccccc1F 34a_100000210422_100000742370 [0,2,0,0,0,0|1,0,0]=3 13516 B14R1.837 COC(=O)CCNc1ccccc1I 34a_100000210053_100000742370 [0,2,0,0,0,0|1,0,0]=3 13517 B14R1.837 COC(=O)CCNc1ccccc1O 34a_100000185747_100000742370 [0,2,0,0,0,0|1,0,0]=3 13518 B14R1.837 COC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000204255 [0,2,0,0,0,0|2,0,0]=4 13519 B14R1.837 COC(=O)CCOc1ccccc1Br 34a_100000181306_100000742370 [0,2,0,0,0,0|1,0,0]=3 13520 B14R1.837 COC(=O)CCOc1ccccc1Br 7a_100000181306_100000204255 [0,2,0,0,0,0|1,0,0]=3 13521 B14R1.837 COC(=O)CCOc1ccccc1C 34a_100000210338_100000742370 [0,2,0,0,0,0|1,0,0]=3 13522 B14R1.837 COC(=O)CCOc1ccccc1C 7a_100000210338_100000204255 [0,2,0,0,0,0|1,0,0]=3 13523 B14R1.837 COC(=O)CCOc1ccccc1Cl 34a_100000210172_100000742370 [0,2,0,0,0,0|1,0,0]=3 13524 B14R1.837 COC(=O)CCOc1ccccc1Cl 7a_100000210172_100000204255 [0,2,0,0,0,0|1,0,0]=3 13525 B14R1.837 COC(=O)CCOc1ccccc1F 34a_100000210171_100000742370 [0,2,0,0,0,0|1,0,0]=3 13526 B14R1.837 COC(=O)CCOc1ccccc1F 7a_100000210171_100000204255 [0,2,0,0,0,0|1,0,0]=3 13527 B14R1.837 COC(=O)CCOc1ccccc1I 34a_100000739446_100000742370 [0,2,0,0,0,0|1,0,0]=3 13528 B14R1.837 COC(=O)CCOc1ccccc1I 7a_100000739446_100000204255 [0,2,0,0,0,0|1,0,0]=3 13529 B14R1.837 COC(=O)CCOc1ccccc1N 34a_100000185747_100000742370 [0,2,0,0,0,0|1,0,0]=3 13530 B14R1.837 COC(=O)CCOc1ccccc1N 7a_100000185747_100000204255 [0,2,0,0,0,0|1,0,0]=3 13531 B14R1.837 COC(=O)CCOc1cccnc1Br 34a_100000744436_100000742370 [0,2,0,0,0,0|2,0,0]=4 13532 B14R1.837 COC(=O)CCOc1cccnc1Br 7a_100000744436_100000204255 [0,2,0,0,0,0|2,0,0]=4 13533 B14R1.837 COC(=O)CCOc1cccnc1C 34a_100000745507_100000742370 [0,2,0,0,0,0|2,0,0]=4 13534 B14R1.837 COC(=O)CCOc1cccnc1C 7a_100000745507_100000204255 [0,2,0,0,0,0|2,0,0]=4 13535 B14R1.837 COC(=O)CCOc1cccnc1Cl 34a_100000757616_100000742370 [0,2,0,0,0,0|2,0,0]=4 13536 B14R1.837 COC(=O)CCOc1cccnc1Cl 7a_100000757616_100000204255 [0,2,0,0,0,0|2,0,0]=4 13537 B14R1.837 COC(=O)CCOc1cccnc1F 34a_100000061740_100000742370 [0,2,0,0,0,0|2,0,0]=4 13538 B14R1.837 COC(=O)CCOc1cccnc1F 7a_100000061740_100000204255 [0,2,0,0,0,0|2,0,0]=4 13539 B14R1.837 COC(=O)CCOc1cccnc1I 34a_100000034122_100000742370 [0,2,0,0,0,0|2,0,0]=4 13540 B14R1.837 COC(=O)CCOc1cccnc1I 7a_100000034122_100000204255 [0,2,0,0,0,0|2,0,0]=4 13541 B14R1.837 COC(=O)CCOc1cccnc1N 34a_100000211975_100000742370 [0,2,0,0,0,0|2,0,0]=4 13542 B14R1.837 COC(=O)CCOc1cccnc1N 7a_100000211975_100000204255 [0,2,0,0,0,0|2,0,0]=4 13543 B14R1.837 COC(=O)CCOc1cccoc1=O 34a_100000077404_100000742370 [0,2,0,0,0,0|2,0,0]=4 13544 B14R1.837 COC(=O)CCOc1cccoc1=O 7a_100000077404_100000204255 [0,2,0,0,0,0|2,0,0]=4 13545 B14R1.837 COC(=O)CCOc1ccncc1Br 34a_100011996408_100000742370 [0,2,0,0,0,0|2,0,0]=4 13546 B14R1.837 COC(=O)CCOc1ccncc1C 34a_100000694293_100000742370 [0,2,0,0,0,0|2,0,0]=4 13547 B14R1.837 COC(=O)CCOc1ccncc1Cl 34a_100011997054_100000742370 [0,2,0,0,0,0|2,0,0]=4 13548 B14R1.837 COC(=O)CCOc1ccncc1F 34a_200000081243_100000742370 [0,2,0,0,0,0|2,0,0]=4 13549 B14R1.837 COC(=O)CCOc1cnccc1C 34a_100011997053_100000742370 [0,2,0,0,0,0|2,0,0]=4 13550 B14R1.837 COC(=O)CCOc1cnccc1C 7a_100011997053_100000204255 [0,2,0,0,0,0|2,0,0]=4 13551 B14R1.837 COC(=O)CCOc1cnccc1Cl 34a_100011996695_100000742370 [0,2,0,0,0,0|2,0,0]=4 13552 B14R1.837 COC(=O)CCOc1cnccc1I 34a_100000050107_100000742370 [0,2,0,0,0,0|2,0,0]=4 13553 B14R1.837 COC(=O)CCOc1cnccc1N 34a_100000753702_100000742370 [0,2,0,0,0,0|2,0,0]=4 13554 B14R1.837 COC(=O)CCOc1coccc1=O 34a_100000060831_100000742370 [0,2,0,0,0,0|2,0,0]=4 13555 B14R1.837 COC(=O)CCOc1ncccc1Cl 34a_100011290957_100000742370 [0,2,0,0,0,0|2,0,0]=4 13556 B14R1.837 COC(=O)CCOc1ncccc1F 34a_100011219419_100000742370 [0,2,0,0,0,0|2,0,0]=4 13557 B14R1.837 COC(=O)CCOc1ncccc1N 34a_100000746358_100000742370 [0,2,0,0,0,0|2,0,0]=4 13558 B14R1.837 COC(=O)CCSc1c[nH]ccc1=O 62a_100000204255_100009998708 [0,2,0,0,0,0|2,0,0]=4 13559 B14R1.837 COC(=O)CCSc1c[nH]ccc1=O 62a_100009998708_100000204255 [0,2,0,0,0,0|2,0,0]=4 13560 B14R1.837 COC(=O)CCSc1c[nH]ccc1=S 62a_100000204255_200012280681 [0,2,0,0,0,0|2,0,0]=4 13561 B14R1.837 COC(=O)CCSc1c[nH]ccc1=S 62a_200012280681_100000204255 [0,2,0,0,0,0|2,0,0]=4 13562 B14R1.837 COC(=O)CCSc1cccc[n+]1C 62a_100000204255_100000212160 [0,2,0,0,0,0|2,0,0]=4 13563 B14R1.837 COC(=O)CCSc1cccc[n+]1[O-] 62a_100000204255_200000042595 [0,2,0,0,0,0|2,0,0]=4 13564 B14R1.837 COC(=O)CCSc1ccccc1Br 62a_100000204255_100000695589 [0,2,0,0,0,0|1,0,0]=3 13565 B14R1.837 COC(=O)CCSc1ccccc1Br 62a_100000695589_100000204255 [0,2,0,0,0,0|1,0,0]=3 13566 B14R1.837 COC(=O)CCSc1ccccc1C 62a_100000204255_100000210755 [0,2,0,0,0,0|1,0,0]=3 13567 B14R1.837 COC(=O)CCSc1ccccc1C 62a_100000210755_100000204255 [0,2,0,0,0,0|1,0,0]=3 13568 B14R1.837 COC(=O)CCSc1ccccc1Cl 62a_100000204255_100000764095 [0,2,0,0,0,0|1,0,0]=3 13569 B14R1.837 COC(=O)CCSc1ccccc1Cl 62a_100000764095_100000204255 [0,2,0,0,0,0|1,0,0]=3 13570 B14R1.837 COC(=O)CCSc1ccccc1F 62a_100000204255_100011215700 [0,2,0,0,0,0|1,0,0]=3 13571 B14R1.837 COC(=O)CCSc1ccccc1F 62a_100011215700_100000204255 [0,2,0,0,0,0|1,0,0]=3 13572 B14R1.837 COC(=O)CCSc1ccccc1N 62a_100000204255_100000210017 [0,2,0,0,0,0|1,0,0]=3 13573 B14R1.837 COC(=O)CCSc1ccccc1N 62a_100000210017_100000204255 [0,2,0,0,0,0|1,0,0]=3 13574 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000204255_100000739446 [0,2,0,0,0,0|1,0,0]=3 13575 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000739446_100000204255 [0,2,0,0,0,0|1,0,0]=3 13576 B14R1.837 COC(=O)CCSc1cccnc1Br 62a_100000204255_100010202626 [0,2,0,0,0,0|2,0,0]=4 13577 B14R1.837 COC(=O)CCSc1cccnc1Br 62a_100010202626_100000204255 [0,2,0,0,0,0|2,0,0]=4 13578 B14R1.837 COC(=O)CCSc1cccnc1C 62a_100000204255_100000751574 [0,2,0,0,0,0|2,0,0]=4 13579 B14R1.837 COC(=O)CCSc1cccnc1C 62a_100000751574_100000204255 [0,2,0,0,0,0|2,0,0]=4 13580 B14R1.837 COC(=O)CCSc1cccnc1Cl 62a_100000036424_100000204255 [0,2,0,0,0,0|2,0,0]=4 13581 B14R1.837 COC(=O)CCSc1cccnc1Cl 62a_100000204255_100000036424 [0,2,0,0,0,0|2,0,0]=4 13582 B14R1.837 COC(=O)CCSc1cccnc1F 62a_100000204255_100009816115 [0,2,0,0,0,0|2,0,0]=4 13583 B14R1.837 COC(=O)CCSc1cccnc1F 62a_100009816115_100000204255 [0,2,0,0,0,0|2,0,0]=4 13584 B14R1.837 COC(=O)CCSc1cccnc1N 62a_100000045569_100000204255 [0,2,0,0,0,0|2,0,0]=4 13585 B14R1.837 COC(=O)CCSc1cccnc1N 62a_100000204255_100000045569 [0,2,0,0,0,0|2,0,0]=4 13586 B14R1.837 COC(=O)CCSc1cccnc1O 62a_100000204255_100000760158 [0,2,0,0,0,0|2,0,0]=4 13587 B14R1.837 COC(=O)CCSc1cccnc1O 62a_100000760158_100000204255 [0,2,0,0,0,0|2,0,0]=4 13588 B14R1.837 COC(=O)CCSc1ccncc1Br 62a_100000204255_100000726257 [0,2,0,0,0,0|2,0,0]=4 13589 B14R1.837 COC(=O)CCSc1ccncc1Br 62a_100000726257_100000204255 [0,2,0,0,0,0|2,0,0]=4 13590 B14R1.837 COC(=O)CCSc1ccncc1C 62a_100000204255_100000765111 [0,2,0,0,0,0|2,0,0]=4 13591 B14R1.837 COC(=O)CCSc1ccncc1C 62a_100000765111_100000204255 [0,2,0,0,0,0|2,0,0]=4 13592 B14R1.837 COC(=O)CCSc1ccncc1Cl 62a_100000204255_100000708259 [0,2,0,0,0,0|2,0,0]=4 13593 B14R1.837 COC(=O)CCSc1ccncc1Cl 62a_100000708259_100000204255 [0,2,0,0,0,0|2,0,0]=4 13594 B14R1.837 COC(=O)CCSc1ccncc1F 62a_100000047030_100000204255 [0,2,0,0,0,0|2,0,0]=4 13595 B14R1.837 COC(=O)CCSc1ccncc1F 62a_100000204255_100000047030 [0,2,0,0,0,0|2,0,0]=4 13596 B14R1.837 COC(=O)CCSc1ccncc1N 62a_100000204255_100000756074 [0,2,0,0,0,0|2,0,0]=4 13597 B14R1.837 COC(=O)CCSc1ccncc1N 62a_100000756074_100000204255 [0,2,0,0,0,0|2,0,0]=4 13598 B14R1.837 COC(=O)CCSc1ccncc1O 62a_100000204255_100009817591 [0,2,0,0,0,0|2,0,0]=4 13599 B14R1.837 COC(=O)CCSc1ccncc1O 62a_100009817591_100000204255 [0,2,0,0,0,0|2,0,0]=4 13600 B14R1.837 COC(=O)CCSc1cnccc1Br 62a_100000204255_100010138639 [0,2,0,0,0,0|2,0,0]=4 13601 B14R1.837 COC(=O)CCSc1cnccc1Br 62a_100010138639_100000204255 [0,2,0,0,0,0|2,0,0]=4 13602 B14R1.837 COC(=O)CCSc1cnccc1C 62a_100000204255_100000761580 [0,2,0,0,0,0|2,0,0]=4 13603 B14R1.837 COC(=O)CCSc1cnccc1C 62a_100000761580_100000204255 [0,2,0,0,0,0|2,0,0]=4 13604 B14R1.837 COC(=O)CCSc1cnccc1Cl 62a_100000204255_100009995489 [0,2,0,0,0,0|2,0,0]=4 13605 B14R1.837 COC(=O)CCSc1cnccc1Cl 62a_100009995489_100000204255 [0,2,0,0,0,0|2,0,0]=4 13606 B14R1.837 COC(=O)CCSc1cnccc1F 62a_100000204255_100009820683 [0,2,0,0,0,0|2,0,0]=4 13607 B14R1.837 COC(=O)CCSc1cnccc1F 62a_100009820683_100000204255 [0,2,0,0,0,0|2,0,0]=4 13608 B14R1.837 COC(=O)CCSc1cnccc1N 62a_100000047001_100000204255 [0,2,0,0,0,0|2,0,0]=4 13609 B14R1.837 COC(=O)CCSc1cnccc1N 62a_100000204255_100000047001 [0,2,0,0,0,0|2,0,0]=4 13610 B14R1.837 COC(=O)CCSc1ncccc1Br 62a_100000204255_100000696092 [0,2,0,0,0,0|2,0,0]=4 13611 B14R1.837 COC(=O)CCSc1ncccc1Br 62a_100000696092_100000204255 [0,2,0,0,0,0|2,0,0]=4 13612 B14R1.837 COC(=O)CCSc1ncccc1C 62a_100000204255_100000751373 [0,2,0,0,0,0|2,0,0]=4 13613 B14R1.837 COC(=O)CCSc1ncccc1C 62a_100000751373_100000204255 [0,2,0,0,0,0|2,0,0]=4 13614 B14R1.837 COC(=O)CCSc1ncccc1Cl 62a_100000204255_100011356963 [0,2,0,0,0,0|2,0,0]=4 13615 B14R1.837 COC(=O)CCSc1ncccc1Cl 62a_100011356963_100000204255 [0,2,0,0,0,0|2,0,0]=4 13616 B14R1.837 COC(=O)CCSc1ncccc1F 62a_100000204255_100000685392 [0,2,0,0,0,0|2,0,0]=4 13617 B14R1.837 COC(=O)CCSc1ncccc1F 62a_100000685392_100000204255 [0,2,0,0,0,0|2,0,0]=4 13618 B14R1.837 COC(=O)CCSc1ncccc1N 62a_100000204255_100000688686 [0,2,0,0,0,0|2,0,0]=4 13619 B14R1.837 COC(=O)CCSc1ncccc1N 62a_100000688686_100000204255 [0,2,0,0,0,0|2,0,0]=4 13620 B14R1.837 COC(=O)CCSc1ncccc1O 62a_100000034122_100000204255 [0,2,0,0,0,0|2,0,0]=4 13621 B14R1.837 COC(=O)CCSc1ncccc1O 62a_100000204255_100000034122 [0,2,0,0,0,0|2,0,0]=4 13622 B14R1.837 COC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747449 [0,2,0,0,0,0|1,0,0]=3 13623 B14R1.837 COC(=O)CNCc1ccccc1Br 34a_100000689332_100000747449 [0,2,0,0,0,0|1,0,0]=3 13624 B14R1.837 COC(=O)CNCc1ccccc1C 34a_100000174972_100000747449 [0,2,0,0,0,0|1,0,0]=3 13625 B14R1.837 COC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747449 [0,2,0,0,0,0|1,0,0]=3 13626 B14R1.837 COC(=O)CNCc1ccccc1Cl 34a_100000174879_100000747449 [0,2,0,0,0,0|1,0,0]=3 13627 B14R1.837 COC(=O)CNCc1ccccc1F 34a_100000174869_100000747449 [0,2,0,0,0,0|1,0,0]=3 13628 B14R1.837 COC(=O)CNCc1ccccc1O 34a_100000185550_100000747449 [0,2,0,0,0,0|1,0,0]=3 13629 B14R1.837 COC(=O)CNCc1cccnc1Br 2230a_100009818023_100000747449 [0,2,0,0,0,0|2,0,0]=4 13630 B14R1.837 COC(=O)CNCc1cccnc1Br 34a_100009818023_100000747449 [0,2,0,0,0,0|2,0,0]=4 13631 B14R1.837 COC(=O)CNCc1cccnc1Cl 2230a_100015189234_100000747449 [0,2,0,0,0,0|2,0,0]=4 13632 B14R1.837 COC(=O)CNCc1cccnc1Cl 34a_100015189234_100000747449 [0,2,0,0,0,0|2,0,0]=4 13633 B14R1.837 COC(=O)CNCc1cccnc1F 34a_100000724633_100000747449 [0,2,0,0,0,0|2,0,0]=4 13634 B14R1.837 COC(=O)CNCc1ccncc1F 34a_100011935246_100000747449 [0,2,0,0,0,0|2,0,0]=4 13635 B14R1.837 COC(=O)CNCc1ncccc1C 34a_100011223789_100000747449 [0,2,0,0,0,0|2,0,0]=4 13636 B14R1.837 COC(=O)CNCc1ncccc1Cl 2230a_100015189233_100000747449 [0,2,0,0,0,0|2,0,0]=4 13637 B14R1.837 COC(=O)CNCc1ncccc1F 34a_100000690088_100000747449 [0,2,0,0,0,0|2,0,0]=4 13638 B14R1.837 COC(=O)COCc1ccccc1Br 34a_100000756307_100000747449 [0,2,0,0,0,0|1,0,0]=3 13639 B14R1.837 COC(=O)COCc1ccccc1Br 7a_100000756307_100000747449 [0,2,0,0,0,0|1,0,0]=3 13640 B14R1.837 COC(=O)COCc1ccccc1C 34a_100000698903_100000747449 [0,2,0,0,0,0|1,0,0]=3 13641 B14R1.837 COC(=O)COCc1ccccc1C 7a_100000698903_100000747449 [0,2,0,0,0,0|1,0,0]=3 13642 B14R1.837 COC(=O)COCc1ccccc1Cl 34a_100000210847_100000747449 [0,2,0,0,0,0|1,0,0]=3 13643 B14R1.837 COC(=O)COCc1ccccc1Cl 7a_100000210847_100000747449 [0,2,0,0,0,0|1,0,0]=3 13644 B14R1.837 COC(=O)COCc1ccccc1F 34a_100000211962_100000747449 [0,2,0,0,0,0|1,0,0]=3 13645 B14R1.837 COC(=O)COCc1ccccc1F 7a_100000211962_100000747449 [0,2,0,0,0,0|1,0,0]=3 13646 B14R1.837 COC(=O)COCc1ccccc1I 34a_100000187465_100000747449 [0,2,0,0,0,0|1,0,0]=3 13647 B14R1.837 COC(=O)COCc1ccccc1I 7a_100000187465_100000747449 [0,2,0,0,0,0|1,0,0]=3 13648 B14R1.837 COC(=O)COCc1ccccc1N 34a_100000212039_100000747449 [0,2,0,0,0,0|1,0,0]=3 13649 B14R1.837 COC(=O)COCc1cccnc1Br 34a_100000719692_100000747449 [0,2,0,0,0,0|2,0,0]=4 13650 B14R1.837 COC(=O)COCc1cccnc1Br 7a_100000719692_100000747449 [0,2,0,0,0,0|2,0,0]=4 13651 B14R1.837 COC(=O)COCc1cccnc1C 34a_100000729262_100000747449 [0,2,0,0,0,0|2,0,0]=4 13652 B14R1.837 COC(=O)COCc1cccnc1C 7a_100000729262_100000747449 [0,2,0,0,0,0|2,0,0]=4 13653 B14R1.837 COC(=O)COCc1cccnc1Cl 34a_100000748726_100000747449 [0,2,0,0,0,0|2,0,0]=4 13654 B14R1.837 COC(=O)COCc1cccnc1Cl 7a_100000748726_100000747449 [0,2,0,0,0,0|2,0,0]=4 13655 B14R1.837 COC(=O)COCc1cccnc1F 34a_100000079888_100000747449 [0,2,0,0,0,0|2,0,0]=4 13656 B14R1.837 COC(=O)COCc1cccnc1F 7a_100000079888_100000747449 [0,2,0,0,0,0|2,0,0]=4 13657 B14R1.837 COC(=O)COCc1ccncc1C 34a_100011997032_100000747449 [0,2,0,0,0,0|2,0,0]=4 13658 B14R1.837 COC(=O)COCc1ccncc1F 34a_100012172863_100000747449 [0,2,0,0,0,0|2,0,0]=4 13659 B14R1.837 COC(=O)COCc1cnccc1C 34a_100011996381_100000747449 [0,2,0,0,0,0|2,0,0]=4 13660 B14R1.837 COC(=O)COCc1cnccc1Cl 34a_100000117392_100000747449 [0,2,0,0,0,0|2,0,0]=4 13661 B14R1.837 COC(=O)COCc1ncccc1Br 34a_100011996772_100000747449 [0,2,0,0,0,0|2,0,0]=4 13662 B14R1.837 COC(=O)COCc1ncccc1C 34a_100000698912_100000747449 [0,2,0,0,0,0|2,0,0]=4 13663 B14R1.837 COC(=O)COCc1ncccc1Cl 34a_100012002383_100000747449 [0,2,0,0,0,0|2,0,0]=4 13664 B14R1.837 COC(=O)COCc1ncccc1F 34a_100011934865_100000747449 [0,2,0,0,0,0|2,0,0]=4 13665 B14R1.837 COC(=O)COCc1ncccc1N 34a_114873767017_100000747449 [0,2,0,0,0,0|2,0,0]=4 13666 B14R1.837 COC(=O)CSCc1ccccc1Br 62a_100000184730_100000747449 [0,2,0,0,0,0|1,0,0]=3 13667 B14R1.837 COC(=O)CSCc1ccccc1Br 62a_100000747449_100000184730 [0,2,0,0,0,0|1,0,0]=3 13668 B14R1.837 COC(=O)CSCc1ccccc1C 62a_100000211839_100000747449 [0,2,0,0,0,0|1,0,0]=3 13669 B14R1.837 COC(=O)CSCc1ccccc1C 62a_100000747449_100000211839 [0,2,0,0,0,0|1,0,0]=3 13670 B14R1.837 COC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747449 [0,2,0,0,0,0|1,0,0]=3 13671 B14R1.837 COC(=O)CSCc1ccccc1Cl 62a_100000747449_100000187162 [0,2,0,0,0,0|1,0,0]=3 13672 B14R1.837 COC(=O)CSCc1ccccc1F 62a_100000211605_100000747449 [0,2,0,0,0,0|1,0,0]=3 13673 B14R1.837 COC(=O)CSCc1ccccc1F 62a_100000747449_100000211605 [0,2,0,0,0,0|1,0,0]=3 13674 B14R1.837 COC(=O)CSCc1ccccc1I 62a_100000747449_100011216222 [0,2,0,0,0,0|1,0,0]=3 13675 B14R1.837 COC(=O)CSCc1ccccc1I 62a_100011216222_100000747449 [0,2,0,0,0,0|1,0,0]=3 13676 B14R1.837 COC(=O)CSCc1cccnc1Br 62a_100000747449_100010140945 [0,2,0,0,0,0|2,0,0]=4 13677 B14R1.837 COC(=O)CSCc1cccnc1Br 62a_100010140945_100000747449 [0,2,0,0,0,0|2,0,0]=4 13678 B14R1.837 COC(=O)CSCc1cccnc1C 62a_100000732876_100000747449 [0,2,0,0,0,0|2,0,0]=4 13679 B14R1.837 COC(=O)CSCc1cccnc1C 62a_100000747449_100000732876 [0,2,0,0,0,0|2,0,0]=4 13680 B14R1.837 COC(=O)CSCc1cccnc1Cl 62a_100000045678_100000747449 [0,2,0,0,0,0|2,0,0]=4 13681 B14R1.837 COC(=O)CSCc1cccnc1Cl 62a_100000747449_100000045678 [0,2,0,0,0,0|2,0,0]=4 13682 B14R1.837 COC(=O)CSCc1cccnc1F 62a_100000099810_100000747449 [0,2,0,0,0,0|2,0,0]=4 13683 B14R1.837 COC(=O)CSCc1cccnc1F 62a_100000747449_100000099810 [0,2,0,0,0,0|2,0,0]=4 13684 B14R1.837 COC(=O)CSCc1ccncc1C 62a_100000747449_100020672808 [0,2,0,0,0,0|2,0,0]=4 13685 B14R1.837 COC(=O)CSCc1ccncc1C 62a_100020672808_100000747449 [0,2,0,0,0,0|2,0,0]=4 13686 B14R1.837 COC(=O)CSCc1ccncc1Cl 62a_100000747449_100000763264 [0,2,0,0,0,0|2,0,0]=4 13687 B14R1.837 COC(=O)CSCc1ccncc1Cl 62a_100000763264_100000747449 [0,2,0,0,0,0|2,0,0]=4 13688 B14R1.837 COC(=O)CSCc1cnccc1C 62a_100000690890_100000747449 [0,2,0,0,0,0|2,0,0]=4 13689 B14R1.837 COC(=O)CSCc1cnccc1C 62a_100000747449_100000690890 [0,2,0,0,0,0|2,0,0]=4 13690 B14R1.837 COC(=O)CSCc1ncccc1Br 62a_100000747449_100025702911 [0,2,0,0,0,0|2,0,0]=4 13691 B14R1.837 COC(=O)CSCc1ncccc1Br 62a_100025702911_100000747449 [0,2,0,0,0,0|2,0,0]=4 13692 B14R1.837 COC(=O)CSCc1ncccc1C 62a_100000696600_100000747449 [0,2,0,0,0,0|2,0,0]=4 13693 B14R1.837 COC(=O)CSCc1ncccc1C 62a_100000747449_100000696600 [0,2,0,0,0,0|2,0,0]=4 13694 B14R1.837 COC(=O)CSCc1ncccc1Cl 62a_100000099807_100000747449 [0,2,0,0,0,0|2,0,0]=4 13695 B14R1.837 COC(=O)CSCc1ncccc1Cl 62a_100000747449_100000099807 [0,2,0,0,0,0|2,0,0]=4 13696 B14R1.837 COC(=O)CSCc1ncccc1F 62a_100000104219_100000747449 [0,2,0,0,0,0|2,0,0]=4 13697 B14R1.837 COC(=O)CSCc1ncccc1F 62a_100000747449_100000104219 [0,2,0,0,0,0|2,0,0]=4 13698 B14R1.837 COC(=O)CSCc1ncccc1O 62a_100000747449_200020655725 [0,2,0,0,0,0|2,0,0]=4 13699 B14R1.837 COC(=O)CSCc1ncccc1O 62a_200020655725_100000747449 [0,2,0,0,0,0|2,0,0]=4 13700 B14R1.837 COC(=O)OCSc1ccccc1Br 62a_100000695589_100000139417 [0,2,0,0,0,0|2,0,0]=4 13701 B14R1.837 COC(=O)OCSc1ccccc1C 62a_100000210755_100000139417 [0,2,0,0,0,0|2,0,0]=4 13702 B14R1.837 COC(=O)OCSc1ccccc1Cl 62a_100000764095_100000139417 [0,2,0,0,0,0|2,0,0]=4 13703 B14R1.837 COC(=O)OCSc1ccccc1F 62a_100011215700_100000139417 [0,2,0,0,0,0|2,0,0]=4 13704 B14R1.837 COC(=O)OCSc1ccccc1N 62a_100000210017_100000139417 [0,2,0,0,0,0|2,0,0]=4 13705 B14R1.837 COC(=O)OCSc1ccccc1O 62a_100000739446_100000139417 [0,2,0,0,0,0|2,0,0]=4 13706 B14R1.837 Cc1ccccc1CCNC(=O)CO 240690a_100000685071_100000210174 [0,2,0,0,0,0|1,0,0]=3 13707 B14R1.837 Cc1ccccc1CCNC(=O)CO 527a_100000685071_100000210174 [0,2,0,0,0,0|1,0,0]=3 13708 B14R1.837 Cc1ccccc1CNNC(=O)CO 22a_100000737298_100000210174 [0,2,0,0,0,0|2,0,0]=4 13709 B14R1.837 Cc1ccccc1CSCC(=O)CF 1458a_100000150258_100015361967 [0,2,0,0,0,0|2,0,0]=4 13710 B14R1.837 Cc1ccccc1OCCC(=O)CF 1458a_100000182324_100015361967 [0,2,0,0,0,0|2,0,0]=4 13711 B14R1.837 Cc1ccccc1OCCC(=O)CO 1458a_100000210174_100000184434 [0,2,0,0,0,0|1,0,0]=3 13712 B14R1.837 O=C(CF)CCCc1ccccc1Cl 1458a_100000700343_100015361967 [0,2,0,0,0,0|1,0,0]=3 13713 B14R1.837 O=C(CF)CCCc1ccccc1O 1458a_100009859317_100015361967 [0,2,0,0,0,0|1,0,0]=3 13714 B14R1.837 O=C(CF)CCOc1ccccc1Br 1458a_100000740817_100015361967 [0,2,0,0,0,0|2,0,0]=4 13715 B14R1.837 O=C(CF)CCOc1ccccc1Cl 1458a_100000240438_100015361967 [0,2,0,0,0,0|2,0,0]=4 13716 B14R1.837 O=C(CF)CCOc1ccccc1F 1458a_100000184057_100015361967 [0,2,0,0,0,0|2,0,0]=4 13717 B14R1.837 O=C(CF)CCSc1ccccc1F 1458a_100000208832_100015361967 [0,2,0,0,0,0|2,0,0]=4 13718 B14R1.837 O=C(CF)CSCc1ccccc1Cl 1458a_100000150270_100015361967 [0,2,0,0,0,0|2,0,0]=4 13719 B14R1.837 O=C(CF)CSCc1ccccc1F 1458a_100000150260_100015361967 [0,2,0,0,0,0|2,0,0]=4 13720 B14R1.837 O=C(CO)CC#Cc1ccccc1Br 1458a_100000210174_100010706765 [0,2,0,0,0,0|0,0,2]=4 13721 B14R1.837 O=C(CO)CC#Cc1ccccc1F 1458a_100000210174_100010404167 [0,2,0,0,0,0|0,0,2]=4 13722 B14R1.837 O=C(CO)CCCc1ccccc1Br 1458a_100000210174_200011713681 [0,2,0,0,0,0|0,0,0]=2 13723 B14R1.837 O=C(CO)CCOc1ccccc1Br 1458a_100000210174_100000695877 [0,2,0,0,0,0|1,0,0]=3 13724 B14R1.837 O=C(CO)CCOc1ccccc1F 1458a_100000210174_100000183290 [0,2,0,0,0,0|1,0,0]=3 13725 B14R1.837 O=C(CO)NCCc1ccccc1Br 240690a_100000747383_100000210174 [0,2,0,0,0,0|1,0,0]=3 13726 B14R1.837 O=C(CO)NCCc1ccccc1Br 527a_100000747383_100000210174 [0,2,0,0,0,0|1,0,0]=3 13727 B14R1.837 O=C(CO)NCCc1ccccc1Cl 240690a_100011207228_100000210174 [0,2,0,0,0,0|1,0,0]=3 13728 B14R1.837 O=C(CO)NCCc1ccccc1Cl 527a_100011207228_100000210174 [0,2,0,0,0,0|1,0,0]=3 13729 B14R1.837 O=C(CO)NCCc1ccccc1F 240690a_100000185272_100000210174 [0,2,0,0,0,0|1,0,0]=3 13730 B14R1.837 O=C(CO)NCCc1ccccc1F 527a_100000185272_100000210174 [0,2,0,0,0,0|1,0,0]=3 13731 B14R1.837 O=C(CO)NCCc1ccccc1O 240690a_100011207237_100000210174 [0,2,0,0,0,0|1,0,0]=3 13732 B14R1.837 O=C(CO)NCCc1ccccc1O 527a_100011207237_100000210174 [0,2,0,0,0,0|1,0,0]=3 13733 B14R1.837 O=C(CO)NCCn1ccccc1=O 240690a_100000687133_100000210174 [0,2,0,0,0,0|2,0,0]=4 13734 B14R1.837 O=C(CO)NCCn1ccccc1=O 527a_100000687133_100000210174 [0,2,0,0,0,0|2,0,0]=4 13735 B14R1.837 O=C(CO)NNCc1ccccc1Br 22a_200016993956_100000210174 [0,2,0,0,0,0|2,0,0]=4 13736 B14R1.837 O=C(CO)NNCc1ccccc1Cl 22a_100015187261_100000210174 [0,2,0,0,0,0|2,0,0]=4 13737 B14R1.837 O=C(CO)NNCc1ccccc1F 22a_100015200773_100000210174 [0,2,0,0,0,0|2,0,0]=4 13738 B14R1.4464 CC(=O)CCCc1ccc(cc1F)F 1458a_100011236538_200000210301 [0,2,0,0,0,0|1,0,0]=3 13739 B14R1.4464 CC(=O)CCNc1ccc(cc1C)Br 7a_100000211769_100000053229 [0,2,0,0,0,0|2,0,0]=4 13740 B14R1.4464 CC(=O)CCNc1ccc(cc1C)C 7a_100000736561_100000053229 [0,2,0,0,0,0|2,0,0]=4 13741 B14R1.4464 CC(=O)CCNc1ccc(cc1C)Cl 7a_100000210418_100000053229 [0,2,0,0,0,0|2,0,0]=4 13742 B14R1.4464 CC(=O)CCNc1ccc(cc1C)F 7a_100000211637_100000053229 [0,2,0,0,0,0|2,0,0]=4 13743 B14R1.4464 CC(=O)CCNc1ccc(cc1C)I 7a_100000184554_100000053229 [0,2,0,0,0,0|2,0,0]=4 13744 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)Br 7a_100000188717_100000053229 [0,2,0,0,0,0|2,0,0]=4 13745 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)C 7a_100000210800_100000053229 [0,2,0,0,0,0|2,0,0]=4 13746 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)Cl 1458a_100000070787_100000199037 [0,2,0,0,0,0|2,0,0]=4 13747 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)Cl 7a_100000211998_100000053229 [0,2,0,0,0,0|2,0,0]=4 13748 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)F 7a_100000211999_100000053229 [0,2,0,0,0,0|2,0,0]=4 13749 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)I 7a_100012361655_100000053229 [0,2,0,0,0,0|2,0,0]=4 13750 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)N 7a_100011534360_100000053229 [0,2,0,0,0,0|2,0,0]=4 13751 B14R1.4464 CC(=O)CCOc1ccc(cc1C)Br 7a_100000186361_100000053229 [0,2,0,0,0,0|2,0,0]=4 13752 B14R1.4464 CC(=O)CCOc1ccc(cc1C)C 1458a_100000070787_100011210784 [0,2,0,0,0,0|2,0,0]=4 13753 B14R1.4464 CC(=O)CCOc1ccc(cc1C)C 1458a_100000737123_200000210301 [0,2,0,0,0,0|2,0,0]=4 13754 B14R1.4464 CC(=O)CCOc1ccc(cc1C)C 7a_100000211776_100000053229 [0,2,0,0,0,0|2,0,0]=4 13755 B14R1.4464 CC(=O)CCOc1ccc(cc1C)Cl 7a_100000211091_100000053229 [0,2,0,0,0,0|2,0,0]=4 13756 B14R1.4464 CC(=O)CCOc1ccc(cc1C)F 7a_100000764316_100000053229 [0,2,0,0,0,0|2,0,0]=4 13757 B14R1.4464 CC(=O)CCOc1ccc(cc1C)I 7a_100011218673_100000053229 [0,2,0,0,0,0|2,0,0]=4 13758 B14R1.4464 CC(=O)CCOc1ccc(cc1C)N 7a_100011218179_100000053229 [0,2,0,0,0,0|2,0,0]=4 13759 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)Br 7a_100000186472_100000053229 [0,2,0,0,0,0|2,0,0]=4 13760 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)C 7a_100000749699_100000053229 [0,2,0,0,0,0|2,0,0]=4 13761 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)Cl 1458a_100000070787_100000184432 [0,2,0,0,0,0|2,0,0]=4 13762 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000053229 [0,2,0,0,0,0|2,0,0]=4 13763 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)F 1458a_100000240429_200000210301 [0,2,0,0,0,0|2,0,0]=4 13764 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)F 7a_100000212004_100000053229 [0,2,0,0,0,0|2,0,0]=4 13765 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)I 7a_100012360047_100000053229 [0,2,0,0,0,0|2,0,0]=4 13766 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)N 7a_100000744943_100000053229 [0,2,0,0,0,0|2,0,0]=4 13767 B14R1.4464 CC(=O)CCOc1ccc(cc1F)Br 7a_100000185481_100000053229 [0,2,0,0,0,0|2,0,0]=4 13768 B14R1.4464 CC(=O)CCOc1ccc(cc1F)C 7a_100011216688_100000053229 [0,2,0,0,0,0|2,0,0]=4 13769 B14R1.4464 CC(=O)CCOc1ccc(cc1F)Cl 7a_100000230166_100000053229 [0,2,0,0,0,0|2,0,0]=4 13770 B14R1.4464 CC(=O)CCOc1ccc(cc1F)F 1458a_100000743258_200000210301 [0,2,0,0,0,0|2,0,0]=4 13771 B14R1.4464 CC(=O)CCOc1ccc(cc1F)F 7a_100000230127_100000053229 [0,2,0,0,0,0|2,0,0]=4 13772 B14R1.4464 CC(=O)CCOc1ccc(cc1F)I 7a_100011356965_100000053229 [0,2,0,0,0,0|2,0,0]=4 13773 B14R1.4464 CC(=O)CCOc1ccc(cc1F)N 7a_100011220035_100000053229 [0,2,0,0,0,0|2,0,0]=4 13774 B14R1.4464 CC(=O)CCOc1ccc(cc1I)Br 7a_100012355227_100000053229 [0,2,0,0,0,0|2,0,0]=4 13775 B14R1.4464 CC(=O)CCOc1ccc(cc1I)C 7a_100000765521_100000053229 [0,2,0,0,0,0|2,0,0]=4 13776 B14R1.4464 CC(=O)CCOc1ccc(cc1I)Cl 7a_100011356953_100000053229 [0,2,0,0,0,0|2,0,0]=4 13777 B14R1.4464 CC(=O)CCOc1ccc(cc1I)F 7a_100012355409_100000053229 [0,2,0,0,0,0|2,0,0]=4 13778 B14R1.4464 CC(=O)CCOc1ccc(cc1I)I 7a_100010001573_100000053229 [0,2,0,0,0,0|2,0,0]=4 13779 B14R1.4464 CC(=O)CCOc1ccc(cc1N)Br 7a_100000752626_100000053229 [0,2,0,0,0,0|2,0,0]=4 13780 B14R1.4464 CC(=O)CCOc1ccc(cc1N)C 7a_100011215204_100000053229 [0,2,0,0,0,0|2,0,0]=4 13781 B14R1.4464 CC(=O)CCOc1ccc(cc1N)Cl 7a_100000210500_100000053229 [0,2,0,0,0,0|2,0,0]=4 13782 B14R1.4464 CC(=O)CCOc1ccc(cc1N)F 7a_100000759472_100000053229 [0,2,0,0,0,0|2,0,0]=4 13783 B14R1.4464 CC(=O)CCOc1ccc(cc1N)I 7a_100000753495_100000053229 [0,2,0,0,0,0|2,0,0]=4 13784 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Br 62a_100000053229_100011484698 [0,2,0,0,0,0|2,0,0]=4 13785 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Br 62a_100011484698_100000053229 [0,2,0,0,0,0|2,0,0]=4 13786 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)C 62a_100000053229_100009813563 [0,2,0,0,0,0|2,0,0]=4 13787 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)C 62a_100009813563_100000053229 [0,2,0,0,0,0|2,0,0]=4 13788 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Cl 62a_100000053229_100011219703 [0,2,0,0,0,0|2,0,0]=4 13789 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Cl 62a_100011219703_100000053229 [0,2,0,0,0,0|2,0,0]=4 13790 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)F 62a_100000053229_100011217111 [0,2,0,0,0,0|2,0,0]=4 13791 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)F 62a_100011217111_100000053229 [0,2,0,0,0,0|2,0,0]=4 13792 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)N 62a_100000053229_100000750458 [0,2,0,0,0,0|2,0,0]=4 13793 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)N 62a_100000750458_100000053229 [0,2,0,0,0,0|2,0,0]=4 13794 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)O 62a_100000053229_100000701344 [0,2,0,0,0,0|2,0,0]=4 13795 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)O 62a_100000701344_100000053229 [0,2,0,0,0,0|2,0,0]=4 13796 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Br 62a_100000053229_100000701812 [0,2,0,0,0,0|2,0,0]=4 13797 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Br 62a_100000701812_100000053229 [0,2,0,0,0,0|2,0,0]=4 13798 B14R1.4464 CC(=O)CCSc1ccc(cc1C)C 62a_100000053229_100011217332 [0,2,0,0,0,0|2,0,0]=4 13799 B14R1.4464 CC(=O)CCSc1ccc(cc1C)C 62a_100011217332_100000053229 [0,2,0,0,0,0|2,0,0]=4 13800 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Cl 62a_100000053229_100011219607 [0,2,0,0,0,0|2,0,0]=4 13801 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Cl 62a_100011219607_100000053229 [0,2,0,0,0,0|2,0,0]=4 13802 B14R1.4464 CC(=O)CCSc1ccc(cc1C)F 62a_100000053229_100011205405 [0,2,0,0,0,0|2,0,0]=4 13803 B14R1.4464 CC(=O)CCSc1ccc(cc1C)F 62a_100011205405_100000053229 [0,2,0,0,0,0|2,0,0]=4 13804 B14R1.4464 CC(=O)CCSc1ccc(cc1C)N 62a_100000053229_100000210723 [0,2,0,0,0,0|2,0,0]=4 13805 B14R1.4464 CC(=O)CCSc1ccc(cc1C)N 62a_100000210723_100000053229 [0,2,0,0,0,0|2,0,0]=4 13806 B14R1.4464 CC(=O)CCSc1ccc(cc1C)O 62a_100000053229_100000690111 [0,2,0,0,0,0|2,0,0]=4 13807 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Br 62a_100000053229_100011216062 [0,2,0,0,0,0|2,0,0]=4 13808 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Br 62a_100011216062_100000053229 [0,2,0,0,0,0|2,0,0]=4 13809 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)C 62a_100000053229_100011263221 [0,2,0,0,0,0|2,0,0]=4 13810 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)C 62a_100011263221_100000053229 [0,2,0,0,0,0|2,0,0]=4 13811 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000053229_100000699841 [0,2,0,0,0,0|2,0,0]=4 13812 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000053229 [0,2,0,0,0,0|2,0,0]=4 13813 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)F 62a_100000053229_100000733362 [0,2,0,0,0,0|2,0,0]=4 13814 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)F 62a_100000733362_100000053229 [0,2,0,0,0,0|2,0,0]=4 13815 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)N 62a_100000053229_100000761885 [0,2,0,0,0,0|2,0,0]=4 13816 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)N 62a_100000761885_100000053229 [0,2,0,0,0,0|2,0,0]=4 13817 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)O 62a_100000047559_100000053229 [0,2,0,0,0,0|2,0,0]=4 13818 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)O 62a_100000053229_100000047559 [0,2,0,0,0,0|2,0,0]=4 13819 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Br 62a_100000053229_100009814013 [0,2,0,0,0,0|2,0,0]=4 13820 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Br 62a_100009814013_100000053229 [0,2,0,0,0,0|2,0,0]=4 13821 B14R1.4464 CC(=O)CCSc1ccc(cc1F)C 62a_100000053229_100011216119 [0,2,0,0,0,0|2,0,0]=4 13822 B14R1.4464 CC(=O)CCSc1ccc(cc1F)C 62a_100011216119_100000053229 [0,2,0,0,0,0|2,0,0]=4 13823 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Cl 62a_100000053229_100011216042 [0,2,0,0,0,0|2,0,0]=4 13824 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Cl 62a_100011216042_100000053229 [0,2,0,0,0,0|2,0,0]=4 13825 B14R1.4464 CC(=O)CCSc1ccc(cc1F)F 62a_100000053229_100000750030 [0,2,0,0,0,0|2,0,0]=4 13826 B14R1.4464 CC(=O)CCSc1ccc(cc1F)F 62a_100000750030_100000053229 [0,2,0,0,0,0|2,0,0]=4 13827 B14R1.4464 CC(=O)CCSc1ccc(cc1F)N 62a_100000053229_100011356925 [0,2,0,0,0,0|2,0,0]=4 13828 B14R1.4464 CC(=O)CCSc1ccc(cc1F)N 62a_100011356925_100000053229 [0,2,0,0,0,0|2,0,0]=4 13829 B14R1.4464 CC(=O)CCSc1ccc(cc1F)O 62a_100000053229_100000755031 [0,2,0,0,0,0|2,0,0]=4 13830 B14R1.4464 CC(=O)CCSc1ccc(cc1F)O 62a_100000755031_100000053229 [0,2,0,0,0,0|2,0,0]=4 13831 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Br 62a_100000053229_100000743836 [0,2,0,0,0,0|2,0,0]=4 13832 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Br 62a_100000743836_100000053229 [0,2,0,0,0,0|2,0,0]=4 13833 B14R1.4464 CC(=O)CCSc1ccc(cc1N)C 62a_100000053229_100011216686 [0,2,0,0,0,0|2,0,0]=4 13834 B14R1.4464 CC(=O)CCSc1ccc(cc1N)C 62a_100011216686_100000053229 [0,2,0,0,0,0|2,0,0]=4 13835 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Cl 62a_100000053229_100000761886 [0,2,0,0,0,0|2,0,0]=4 13836 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Cl 62a_100000761886_100000053229 [0,2,0,0,0,0|2,0,0]=4 13837 B14R1.4464 CC(=O)CCSc1ccc(cc1N)F 62a_100000053229_100000687223 [0,2,0,0,0,0|2,0,0]=4 13838 B14R1.4464 CC(=O)CCSc1ccc(cc1N)F 62a_100000687223_100000053229 [0,2,0,0,0,0|2,0,0]=4 13839 B14R1.4464 CC(=O)CCSc1ccc(cc1N)N 62a_100000053229_200012175722 [0,2,0,0,0,0|2,0,0]=4 13840 B14R1.4464 CC(=O)CCSc1ccc(cc1N)N 62a_200012175722_100000053229 [0,2,0,0,0,0|2,0,0]=4 13841 B14R1.4464 CC(=O)CCSc1ccc(cc1N)O 62a_100000053229_100011999798 [0,2,0,0,0,0|2,0,0]=4 13842 B14R1.4464 CC(=O)CCSc1ccc(cc1N)O 62a_100011999798_100000053229 [0,2,0,0,0,0|2,0,0]=4 13843 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Br 62a_100000053229_100012344904 [0,2,0,0,0,0|2,0,0]=4 13844 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Br 62a_100012344904_100000053229 [0,2,0,0,0,0|2,0,0]=4 13845 B14R1.4464 CC(=O)CCSc1ccc(cc1O)C 62a_100000053229_100012002257 [0,2,0,0,0,0|2,0,0]=4 13846 B14R1.4464 CC(=O)CCSc1ccc(cc1O)C 62a_100012002257_100000053229 [0,2,0,0,0,0|2,0,0]=4 13847 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Cl 62a_100000050036_100000053229 [0,2,0,0,0,0|2,0,0]=4 13848 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Cl 62a_100000053229_100000050036 [0,2,0,0,0,0|2,0,0]=4 13849 B14R1.4464 CC(=O)CCSc1ccc(cc1O)F 62a_100000053229_100000690578 [0,2,0,0,0,0|2,0,0]=4 13850 B14R1.4464 CC(=O)CCSc1ccc(cc1O)F 62a_100000690578_100000053229 [0,2,0,0,0,0|2,0,0]=4 13851 B14R1.4464 CC(=O)CCSc1ccc(cc1O)O 62a_100000053229_100009813921 [0,2,0,0,0,0|2,0,0]=4 13852 B14R1.4464 CC(=O)COCc1ccc(cc1Br)Br 34a_100000211253_200012351560 [0,2,0,0,0,0|2,0,0]=4 13853 B14R1.4464 CC(=O)COCc1ccc(cc1Br)Cl 34a_100000211253_100000755608 [0,2,0,0,0,0|2,0,0]=4 13854 B14R1.4464 CC(=O)COCc1ccc(cc1Br)F 34a_100000211253_100000243222 [0,2,0,0,0,0|2,0,0]=4 13855 B14R1.4464 CC(=O)COCc1ccc(cc1Br)I 34a_100000211253_100010146610 [0,2,0,0,0,0|2,0,0]=4 13856 B14R1.4464 CC(=O)COCc1ccc(cc1C)Br 34a_100000211253_100000708836 [0,2,0,0,0,0|2,0,0]=4 13857 B14R1.4464 CC(=O)COCc1ccc(cc1C)C 34a_100000211253_100011219618 [0,2,0,0,0,0|2,0,0]=4 13858 B14R1.4464 CC(=O)COCc1ccc(cc1C)Cl 34a_100000211253_100012361307 [0,2,0,0,0,0|2,0,0]=4 13859 B14R1.4464 CC(=O)COCc1ccc(cc1C)F 34a_100000211253_100000700533 [0,2,0,0,0,0|2,0,0]=4 13860 B14R1.4464 CC(=O)COCc1ccc(cc1Cl)Br 34a_100000211253_100011740631 [0,2,0,0,0,0|2,0,0]=4 13861 B14R1.4464 CC(=O)COCc1ccc(cc1Cl)C 34a_100000211253_100012349684 [0,2,0,0,0,0|2,0,0]=4 13862 B14R1.4464 CC(=O)COCc1ccc(cc1Cl)Cl 34a_100000211253_100000188473 [0,2,0,0,0,0|2,0,0]=4 13863 B14R1.4464 CC(=O)COCc1ccc(cc1Cl)F 34a_100000211253_100011216360 [0,2,0,0,0,0|2,0,0]=4 13864 B14R1.4464 CC(=O)COCc1ccc(cc1F)Br 34a_100000211253_100000211606 [0,2,0,0,0,0|2,0,0]=4 13865 B14R1.4464 CC(=O)COCc1ccc(cc1F)C 34a_100000211253_100012002367 [0,2,0,0,0,0|2,0,0]=4 13866 B14R1.4464 CC(=O)COCc1ccc(cc1F)Cl 34a_100000211253_100000709361 [0,2,0,0,0,0|2,0,0]=4 13867 B14R1.4464 CC(=O)COCc1ccc(cc1F)F 34a_100000211253_100000748237 [0,2,0,0,0,0|2,0,0]=4 13868 B14R1.4464 CC(=O)COCc1ccc(cc1F)I 34a_100000211253_100010244991 [0,2,0,0,0,0|2,0,0]=4 13869 B14R1.4464 CC(=O)COCc1ccc(cc1I)Br 34a_100000211253_100010146615 [0,2,0,0,0,0|2,0,0]=4 13870 B14R1.4464 CC(=O)COCc1ccc(cc1I)Cl 34a_100000211253_100010254388 [0,2,0,0,0,0|2,0,0]=4 13871 B14R1.4464 CC(=O)COCc1ccc(cc1I)F 34a_100000211253_100012354799 [0,2,0,0,0,0|2,0,0]=4 13872 B14R1.4464 CC(=O)CSCc1ccc(cc1Cl)Cl 1458a_100000150271_200000210301 [0,2,0,0,0,0|2,0,0]=4 13873 B14R1.4464 CC(=O)NCCc1ccc(cc1C)C 11a_100000745621_100015343762 [0,2,0,0,0,0|2,0,0]=4 13874 B14R1.4464 CC(=O)NCCc1ccc(cc1C)C 1626a_100000745621_100015343762 [0,2,0,0,0,0|2,0,0]=4 13875 B14R1.4464 CC(=O)NCCc1ccc(cc1C)C 240690a_100000745621_100015343762 [0,2,0,0,0,0|2,0,0]=4 13876 B14R1.4464 CC(=O)NCCc1ccc(cc1C)C 527a_100000745621_100103153847 [0,2,0,0,0,0|2,0,0]=4 13877 B14R1.4464 CC(=O)NCCc1ccc(cc1Cl)Cl 11a_100000210994_100015343762 [0,2,0,0,0,0|2,0,0]=4 13878 B14R1.4464 CC(=O)NCCc1ccc(cc1Cl)Cl 1626a_100000210994_100015343762 [0,2,0,0,0,0|2,0,0]=4 13879 B14R1.4464 CC(=O)NCCc1ccc(cc1Cl)Cl 240690a_100000210994_100015343762 [0,2,0,0,0,0|2,0,0]=4 13880 B14R1.4464 CC(=O)NCCc1ccc(cc1Cl)Cl 527a_100000210994_100103153847 [0,2,0,0,0,0|2,0,0]=4 13881 B14R1.4464 CC(=O)NCCc1ccc(cc1F)Cl 11a_103496529009_100015343762 [0,2,0,0,0,0|2,0,0]=4 13882 B14R1.4464 CC(=O)NCCc1ccc(cc1F)Cl 1626a_103496529009_100015343762 [0,2,0,0,0,0|2,0,0]=4 13883 B14R1.4464 CC(=O)NCCc1ccc(cc1F)Cl 240690a_103496529009_100015343762 [0,2,0,0,0,0|2,0,0]=4 13884 B14R1.4464 CC(=O)NCCc1ccc(cc1F)Cl 527a_103496529009_100103153847 [0,2,0,0,0,0|2,0,0]=4 13885 B14R1.4464 CC(=O)NCCc1ccc(cc1F)F 11a_100000754870_100015343762 [0,2,0,0,0,0|2,0,0]=4 13886 B14R1.4464 CC(=O)NCCc1ccc(cc1F)F 1626a_100000754870_100015343762 [0,2,0,0,0,0|2,0,0]=4 13887 B14R1.4464 CC(=O)NCCc1ccc(cc1F)F 240690a_100000754870_100015343762 [0,2,0,0,0,0|2,0,0]=4 13888 B14R1.4464 CC(=O)NCCc1ccc(cc1F)F 527a_100000754870_100103153847 [0,2,0,0,0,0|2,0,0]=4 13889 B14R1.4464 Cc1cc(ccc1CNCC(=O)N)Br 2230a_100000711301_100000708836 [0,2,0,0,0,0|2,0,0]=4 13890 B14R1.4464 Cc1cc(ccc1CNCC(=O)N)Br 34a_100000753881_100000187820 [0,2,0,0,0,0|2,0,0]=4 13891 B14R1.4464 Cc1cc(ccc1CNCC(=O)N)Cl 2230a_100000711301_100012361307 [0,2,0,0,0,0|2,0,0]=4 13892 B14R1.4464 Cc1cc(ccc1CNCC(=O)N)Cl 34a_103436540063_100000187820 [0,2,0,0,0,0|2,0,0]=4 13893 B14R1.4464 Cc1cc(ccc1CNCC(=O)N)F 2230a_100000711301_100000700533 [0,2,0,0,0,0|2,0,0]=4 13894 B14R1.4464 Cc1cc(ccc1CNCC(=O)N)F 34a_100137329023_100000187820 [0,2,0,0,0,0|2,0,0]=4 13895 B14R1.4464 Cc1cc(ccc1CNCC(=O)O)Br 269956a_100016091260_100000708836 [0,2,0,0,0,0|1,0,0]=3 13896 B14R1.4464 Cc1cc(ccc1CNCC(=O)O)Cl 269956a_100016091260_100012361307 [0,2,0,0,0,0|1,0,0]=3 13897 B14R1.4464 Cc1cc(ccc1CNCC(=O)O)F 269956a_100016091260_100000700533 [0,2,0,0,0,0|1,0,0]=3 13898 B14R1.4464 Cc1cc(ccc1CNCC(=O)[O-])Br 34a_100000753881_100020667443 [0,2,0,0,0,0|1,0,1]=4 13899 B14R1.4464 Cc1cc(ccc1CNCC(=O)[O-])Cl 34a_103436540063_100020667443 [0,2,0,0,0,0|1,0,1]=4 13900 B14R1.4464 Cc1cc(ccc1CNCC(=O)[O-])F 34a_100137329023_100020667443 [0,2,0,0,0,0|1,0,1]=4 13901 B14R1.4464 Cc1cc(ccc1COCC(=O)N)Br 34a_100000748258_100000187820 [0,2,0,0,0,0|2,0,0]=4 13902 B14R1.4464 Cc1cc(ccc1COCC(=O)N)Br 7a_100000748258_100000187820 [0,2,0,0,0,0|2,0,0]=4 13903 B14R1.4464 Cc1cc(ccc1COCC(=O)N)Cl 34a_100000702939_100000187820 [0,2,0,0,0,0|2,0,0]=4 13904 B14R1.4464 Cc1cc(ccc1COCC(=O)N)Cl 7a_100000702939_100000187820 [0,2,0,0,0,0|2,0,0]=4 13905 B14R1.4464 Cc1cc(ccc1COCC(=O)N)F 34a_100000700136_100000187820 [0,2,0,0,0,0|2,0,0]=4 13906 B14R1.4464 Cc1cc(ccc1COCC(=O)N)F 7a_100000700136_100000187820 [0,2,0,0,0,0|2,0,0]=4 13907 B14R1.4464 Cc1cc(ccc1COCC(=O)N)N 34a_100000102464_100000187820 [0,2,0,0,0,0|2,0,0]=4 13908 B14R1.4464 Cc1cc(ccc1COCC(=O)N)N 7a_100000102464_100000187820 [0,2,0,0,0,0|2,0,0]=4 13909 B14R1.4464 Cc1cc(ccc1COCC(=O)[O-])Br 34a_100000748258_100020667443 [0,2,0,0,0,0|1,0,1]=4 13910 B14R1.4464 Cc1cc(ccc1COCC(=O)[O-])Cl 34a_100000702939_100020667443 [0,2,0,0,0,0|1,0,1]=4 13911 B14R1.4464 Cc1cc(ccc1COCC(=O)[O-])F 34a_100000700136_100020667443 [0,2,0,0,0,0|1,0,1]=4 13912 B14R1.4464 Cc1cc(ccc1COCC(=O)[O-])N 34a_100000102464_100020667443 [0,2,0,0,0,0|1,0,1]=4 13913 B14R1.4464 Cc1cc(ccc1CSCC(=O)N)Br 62a_100000708836_100000747473 [0,2,0,0,0,0|2,0,0]=4 13914 B14R1.4464 Cc1cc(ccc1CSCC(=O)N)Br 62a_100000747473_100000708836 [0,2,0,0,0,0|2,0,0]=4 13915 B14R1.4464 Cc1cc(ccc1CSCC(=O)N)Cl 62a_100000747473_100012361307 [0,2,0,0,0,0|2,0,0]=4 13916 B14R1.4464 Cc1cc(ccc1CSCC(=O)N)Cl 62a_100012361307_100000747473 [0,2,0,0,0,0|2,0,0]=4 13917 B14R1.4464 Cc1cc(ccc1CSCC(=O)N)F 62a_100000700533_100000747473 [0,2,0,0,0,0|2,0,0]=4 13918 B14R1.4464 Cc1cc(ccc1CSCC(=O)N)F 62a_100000747473_100000700533 [0,2,0,0,0,0|2,0,0]=4 13919 B14R1.4464 Cc1cc(ccc1CSCC(=O)[O-])Br 62a_100000708836_100020667443 [0,2,0,0,0,0|1,0,1]=4 13920 B14R1.4464 Cc1cc(ccc1CSCC(=O)[O-])Br 62a_100020667443_100000708836 [0,2,0,0,0,0|1,0,1]=4 13921 B14R1.4464 Cc1cc(ccc1CSCC(=O)[O-])Cl 62a_100012361307_100020667443 [0,2,0,0,0,0|1,0,1]=4 13922 B14R1.4464 Cc1cc(ccc1CSCC(=O)[O-])Cl 62a_100020667443_100012361307 [0,2,0,0,0,0|1,0,1]=4 13923 B14R1.4464 Cc1cc(ccc1CSCC(=O)[O-])F 62a_100000700533_100020667443 [0,2,0,0,0,0|1,0,1]=4 13924 B14R1.4464 Cc1cc(ccc1CSCC(=O)[O-])F 62a_100020667443_100000700533 [0,2,0,0,0,0|1,0,1]=4 13925 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Br 34a_100000211769_100000731001 [0,2,0,0,0,0|2,0,0]=4 13926 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Br 7a_100000211769_100000744528 [0,2,0,0,0,0|2,0,0]=4 13927 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Cl 34a_100000210418_100000731001 [0,2,0,0,0,0|2,0,0]=4 13928 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Cl 7a_100000210418_100000744528 [0,2,0,0,0,0|2,0,0]=4 13929 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)F 34a_100000211637_100000731001 [0,2,0,0,0,0|2,0,0]=4 13930 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)F 7a_100000211637_100000744528 [0,2,0,0,0,0|2,0,0]=4 13931 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)I 34a_100000184554_100000731001 [0,2,0,0,0,0|2,0,0]=4 13932 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)I 7a_100000184554_100000744528 [0,2,0,0,0,0|2,0,0]=4 13933 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)O 34a_100000756630_100000731001 [0,2,0,0,0,0|2,0,0]=4 13934 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Br 34a_100000186361_100000731001 [0,2,0,0,0,0|2,0,0]=4 13935 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Br 7a_100000186361_100000744528 [0,2,0,0,0,0|2,0,0]=4 13936 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Cl 34a_100000211091_100000731001 [0,2,0,0,0,0|2,0,0]=4 13937 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Cl 7a_100000211091_100000744528 [0,2,0,0,0,0|2,0,0]=4 13938 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)F 34a_100000764316_100000731001 [0,2,0,0,0,0|2,0,0]=4 13939 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)F 7a_100000764316_100000744528 [0,2,0,0,0,0|2,0,0]=4 13940 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)I 34a_100011218673_100000731001 [0,2,0,0,0,0|2,0,0]=4 13941 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)I 7a_100011218673_100000744528 [0,2,0,0,0,0|2,0,0]=4 13942 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)N 34a_100011218179_100000731001 [0,2,0,0,0,0|2,0,0]=4 13943 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)N 7a_100011218179_100000744528 [0,2,0,0,0,0|2,0,0]=4 13944 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Br 62a_100000701812_100000744528 [0,2,0,0,0,0|2,0,0]=4 13945 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Br 62a_100000744528_100000701812 [0,2,0,0,0,0|2,0,0]=4 13946 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Cl 62a_100000744528_100011219607 [0,2,0,0,0,0|2,0,0]=4 13947 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Cl 62a_100011219607_100000744528 [0,2,0,0,0,0|2,0,0]=4 13948 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)F 62a_100000744528_100011205405 [0,2,0,0,0,0|2,0,0]=4 13949 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)F 62a_100011205405_100000744528 [0,2,0,0,0,0|2,0,0]=4 13950 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)N 62a_100000210723_100000744528 [0,2,0,0,0,0|2,0,0]=4 13951 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)N 62a_100000744528_100000210723 [0,2,0,0,0,0|2,0,0]=4 13952 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)O 62a_100000744528_100000690111 [0,2,0,0,0,0|2,0,0]=4 13953 B14R1.4464 Cc1cc(ncc1CNCC(=O)O)F 269956a_100016091260_100010382440 [0,2,0,0,0,0|2,0,0]=4 13954 B14R1.4464 Cc1ccc(c(c1)Br)NCCC(=O)N 34a_100000210942_100000731001 [0,2,0,0,0,0|2,0,0]=4 13955 B14R1.4464 Cc1ccc(c(c1)Br)OCCC(=O)N 34a_100000210800_100000731001 [0,2,0,0,0,0|2,0,0]=4 13956 B14R1.4464 Cc1ccc(c(c1)Br)OCCC(=O)N 7a_100000210800_100000744528 [0,2,0,0,0,0|2,0,0]=4 13957 B14R1.4464 Cc1ccc(c(c1)Br)SCCC(=O)N 62a_100000744528_100009813563 [0,2,0,0,0,0|2,0,0]=4 13958 B14R1.4464 Cc1ccc(c(c1)Br)SCCC(=O)N 62a_100009813563_100000744528 [0,2,0,0,0,0|2,0,0]=4 13959 B14R1.4464 Cc1ccc(c(c1)C)CNCC(=O)N 2230a_100000711301_100011219618 [0,2,0,0,0,0|2,0,0]=4 13960 B14R1.4464 Cc1ccc(c(c1)C)CNCC(=O)N 34a_100000737523_100000187820 [0,2,0,0,0,0|2,0,0]=4 13961 B14R1.4464 Cc1ccc(c(c1)C)CNCC(=O)O 269956a_100016091260_100011219618 [0,2,0,0,0,0|1,0,0]=3 13962 B14R1.4464 Cc1ccc(c(c1)C)CNCC(=O)[O-] 34a_100000737523_100020667443 [0,2,0,0,0,0|1,0,1]=4 13963 B14R1.4464 Cc1ccc(c(c1)C)COCC(=O)N 34a_100011215341_100000187820 [0,2,0,0,0,0|2,0,0]=4 13964 B14R1.4464 Cc1ccc(c(c1)C)COCC(=O)N 7a_100011215341_100000187820 [0,2,0,0,0,0|2,0,0]=4 13965 B14R1.4464 Cc1ccc(c(c1)C)COCC(=O)[O-] 34a_100011215341_100020667443 [0,2,0,0,0,0|1,0,1]=4 13966 B14R1.4464 Cc1ccc(c(c1)C)CSCC(=O)N 62a_100000747473_100011219618 [0,2,0,0,0,0|2,0,0]=4 13967 B14R1.4464 Cc1ccc(c(c1)C)CSCC(=O)N 62a_100011219618_100000747473 [0,2,0,0,0,0|2,0,0]=4 13968 B14R1.4464 Cc1ccc(c(c1)C)CSCC(=O)[O-] 62a_100011219618_100020667443 [0,2,0,0,0,0|1,0,1]=4 13969 B14R1.4464 Cc1ccc(c(c1)C)CSCC(=O)[O-] 62a_100020667443_100011219618 [0,2,0,0,0,0|1,0,1]=4 13970 B14R1.4464 Cc1ccc(c(c1)C)NCCC(=O)N 34a_100000736561_100000731001 [0,2,0,0,0,0|2,0,0]=4 13971 B14R1.4464 Cc1ccc(c(c1)C)NCCC(=O)N 7a_100000736561_100000744528 [0,2,0,0,0,0|2,0,0]=4 13972 B14R1.4464 Cc1ccc(c(c1)C)OCCC(=O)N 34a_100000211776_100000731001 [0,2,0,0,0,0|2,0,0]=4 13973 B14R1.4464 Cc1ccc(c(c1)C)OCCC(=O)N 7a_100000211776_100000744528 [0,2,0,0,0,0|2,0,0]=4 13974 B14R1.4464 Cc1ccc(c(c1)C)OCCC(=O)[13CH3] 1458a_100000737123_200025704644 [0,2,0,0,0,0|2,0,0]=4 13975 B14R1.4464 Cc1ccc(c(c1)C)SCCC(=O)N 62a_100000744528_100011217332 [0,2,0,0,0,0|2,0,0]=4 13976 B14R1.4464 Cc1ccc(c(c1)C)SCCC(=O)N 62a_100011217332_100000744528 [0,2,0,0,0,0|2,0,0]=4 13977 B14R1.4464 Cc1ccc(c(c1)Cl)CNCC(=O)N 2230a_100000711301_100012349684 [0,2,0,0,0,0|2,0,0]=4 13978 B14R1.4464 Cc1ccc(c(c1)Cl)CNCC(=O)N 34a_100011997539_100000187820 [0,2,0,0,0,0|2,0,0]=4 13979 B14R1.4464 Cc1ccc(c(c1)Cl)CNCC(=O)O 269956a_100016091260_100012349684 [0,2,0,0,0,0|1,0,0]=3 13980 B14R1.4464 Cc1ccc(c(c1)Cl)CNCC(=O)[O-] 34a_100011997539_100020667443 [0,2,0,0,0,0|1,0,1]=4 13981 B14R1.4464 Cc1ccc(c(c1)Cl)COCC(=O)N 34a_100000720314_100000187820 [0,2,0,0,0,0|2,0,0]=4 13982 B14R1.4464 Cc1ccc(c(c1)Cl)COCC(=O)N 7a_100000720314_100000187820 [0,2,0,0,0,0|2,0,0]=4 13983 B14R1.4464 Cc1ccc(c(c1)Cl)COCC(=O)[O-] 34a_100000720314_100020667443 [0,2,0,0,0,0|1,0,1]=4 13984 B14R1.4464 Cc1ccc(c(c1)Cl)CSCC(=O)N 62a_100000747473_100012349684 [0,2,0,0,0,0|2,0,0]=4 13985 B14R1.4464 Cc1ccc(c(c1)Cl)CSCC(=O)N 62a_100012349684_100000747473 [0,2,0,0,0,0|2,0,0]=4 13986 B14R1.4464 Cc1ccc(c(c1)Cl)CSCC(=O)[O-] 62a_100012349684_100020667443 [0,2,0,0,0,0|1,0,1]=4 13987 B14R1.4464 Cc1ccc(c(c1)Cl)CSCC(=O)[O-] 62a_100020667443_100012349684 [0,2,0,0,0,0|1,0,1]=4 13988 B14R1.4464 Cc1ccc(c(c1)Cl)NCCC(=O)N 34a_100000210522_100000731001 [0,2,0,0,0,0|2,0,0]=4 13989 B14R1.4464 Cc1ccc(c(c1)Cl)OCCC(=O)N 34a_100000749699_100000731001 [0,2,0,0,0,0|2,0,0]=4 13990 B14R1.4464 Cc1ccc(c(c1)Cl)OCCC(=O)N 7a_100000749699_100000744528 [0,2,0,0,0,0|2,0,0]=4 13991 B14R1.4464 Cc1ccc(c(c1)Cl)SCCC(=O)N 62a_100000744528_100011263221 [0,2,0,0,0,0|2,0,0]=4 13992 B14R1.4464 Cc1ccc(c(c1)Cl)SCCC(=O)N 62a_100011263221_100000744528 [0,2,0,0,0,0|2,0,0]=4 13993 B14R1.4464 Cc1ccc(c(c1)F)CNCC(=O)N 2230a_100000711301_100011217900 [0,2,0,0,0,0|2,0,0]=4 13994 B14R1.4464 Cc1ccc(c(c1)F)CNCC(=O)N 34a_100102887089_100000187820 [0,2,0,0,0,0|2,0,0]=4 13995 B14R1.4464 Cc1ccc(c(c1)F)CNCC(=O)O 269956a_100016091260_100012002367 [0,2,0,0,0,0|1,0,0]=3 13996 B14R1.4464 Cc1ccc(c(c1)F)CNCC(=O)[O-] 34a_100102887089_100020667443 [0,2,0,0,0,0|1,0,1]=4 13997 B14R1.4464 Cc1ccc(c(c1)F)COCC(=O)N 34a_100011216587_100000187820 [0,2,0,0,0,0|2,0,0]=4 13998 B14R1.4464 Cc1ccc(c(c1)F)COCC(=O)N 7a_100011216587_100000187820 [0,2,0,0,0,0|2,0,0]=4 13999 B14R1.4464 Cc1ccc(c(c1)F)COCC(=O)[O-] 34a_100011216587_100020667443 [0,2,0,0,0,0|1,0,1]=4 14000 B14R1.4464 Cc1ccc(c(c1)F)CSCC(=O)N 62a_100000747473_100011217900 [0,2,0,0,0,0|2,0,0]=4 14001 B14R1.4464 Cc1ccc(c(c1)F)CSCC(=O)N 62a_100011217900_100000747473 [0,2,0,0,0,0|2,0,0]=4 14002 B14R1.4464 Cc1ccc(c(c1)F)CSCC(=O)[O-] 62a_100011217900_100020667443 [0,2,0,0,0,0|1,0,1]=4 14003 B14R1.4464 Cc1ccc(c(c1)F)CSCC(=O)[O-] 62a_100020667443_100011217900 [0,2,0,0,0,0|1,0,1]=4 14004 B14R1.4464 Cc1ccc(c(c1)F)NCCC(=O)N 34a_100000211023_100000731001 [0,2,0,0,0,0|2,0,0]=4 14005 B14R1.4464 Cc1ccc(c(c1)F)OCCC(=O)N 34a_100011216688_100000731001 [0,2,0,0,0,0|2,0,0]=4 14006 B14R1.4464 Cc1ccc(c(c1)F)OCCC(=O)N 7a_100011216688_100000744528 [0,2,0,0,0,0|2,0,0]=4 14007 B14R1.4464 Cc1ccc(c(c1)F)SCCC(=O)N 62a_100000744528_100011216119 [0,2,0,0,0,0|2,0,0]=4 14008 B14R1.4464 Cc1ccc(c(c1)F)SCCC(=O)N 62a_100011216119_100000744528 [0,2,0,0,0,0|2,0,0]=4 14009 B14R1.4464 Cc1ccc(c(c1)I)NCCC(=O)N 34a_100011356834_100000731001 [0,2,0,0,0,0|2,0,0]=4 14010 B14R1.4464 Cc1ccc(c(c1)I)OCCC(=O)N 34a_100000765521_100000731001 [0,2,0,0,0,0|2,0,0]=4 14011 B14R1.4464 Cc1ccc(c(c1)I)OCCC(=O)N 7a_100000765521_100000744528 [0,2,0,0,0,0|2,0,0]=4 14012 B14R1.4464 Cc1ccc(c(c1)N)COCC(=O)N 34a_100000087799_100000187820 [0,2,0,0,0,0|2,0,0]=4 14013 B14R1.4464 Cc1ccc(c(c1)N)COCC(=O)N 7a_100000087799_100000187820 [0,2,0,0,0,0|2,0,0]=4 14014 B14R1.4464 Cc1ccc(c(c1)N)COCC(=O)[O-] 34a_100000087799_100020667443 [0,2,0,0,0,0|1,0,1]=4 14015 B14R1.4464 Cc1ccc(c(c1)N)OCCC(=O)N 34a_100011215204_100000731001 [0,2,0,0,0,0|2,0,0]=4 14016 B14R1.4464 Cc1ccc(c(c1)N)OCCC(=O)N 7a_100011215204_100000744528 [0,2,0,0,0,0|2,0,0]=4 14017 B14R1.4464 Cc1ccc(c(c1)N)SCCC(=O)N 62a_100000744528_100011216686 [0,2,0,0,0,0|2,0,0]=4 14018 B14R1.4464 Cc1ccc(c(c1)N)SCCC(=O)N 62a_100011216686_100000744528 [0,2,0,0,0,0|2,0,0]=4 14019 B14R1.4464 Cc1ccc(c(c1)O)NCCC(=O)N 34a_100000211527_100000731001 [0,2,0,0,0,0|2,0,0]=4 14020 B14R1.4464 Cc1ccc(c(c1)O)SCCC(=O)N 62a_100000744528_100012002257 [0,2,0,0,0,0|2,0,0]=4 14021 B14R1.4464 Cc1ccc(c(c1)O)SCCC(=O)N 62a_100012002257_100000744528 [0,2,0,0,0,0|2,0,0]=4 14022 B14R1.4464 Cc1ccc(c(n1)Br)CNCC(=O)O 269956a_100016091260_200010064658 [0,2,0,0,0,0|2,0,0]=4 14023 B14R1.4464 Cc1cnc(c(c1)C)CNCC(=O)O 269956a_100016091260_100016990036 [0,2,0,0,0,0|2,0,0]=4 14024 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)Br 34a_100000211012_100000731001 [0,2,0,0,0,0|2,0,0]=4 14025 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)Cl 34a_100000752454_100000731001 [0,2,0,0,0,0|2,0,0]=4 14026 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)F 34a_100000738039_100000731001 [0,2,0,0,0,0|2,0,0]=4 14027 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)O 34a_100012001276_100000731001 [0,2,0,0,0,0|2,0,0]=4 14028 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)Br 34a_100000211467_100000731001 [0,2,0,0,0,0|2,0,0]=4 14029 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000731001 [0,2,0,0,0,0|2,0,0]=4 14030 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)F 34a_100000212003_100000731001 [0,2,0,0,0,0|2,0,0]=4 14031 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)I 34a_100011218065_100000731001 [0,2,0,0,0,0|2,0,0]=4 14032 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)O 34a_100011215599_100000731001 [0,2,0,0,0,0|2,0,0]=4 14033 B14R1.4464 NC(=O)CCNc1ccc(cc1F)Br 34a_100000210722_100000731001 [0,2,0,0,0,0|2,0,0]=4 14034 B14R1.4464 NC(=O)CCNc1ccc(cc1F)Cl 34a_100000211020_100000731001 [0,2,0,0,0,0|2,0,0]=4 14035 B14R1.4464 NC(=O)CCNc1ccc(cc1F)F 34a_100000210720_100000731001 [0,2,0,0,0,0|2,0,0]=4 14036 B14R1.4464 NC(=O)CCNc1ccc(cc1F)I 34a_100011215594_100000731001 [0,2,0,0,0,0|2,0,0]=4 14037 B14R1.4464 NC(=O)CCNc1ccc(cc1F)O 34a_100000759473_100000731001 [0,2,0,0,0,0|2,0,0]=4 14038 B14R1.4464 NC(=O)CCNc1ccc(cc1I)Br 34a_100000187925_100000731001 [0,2,0,0,0,0|2,0,0]=4 14039 B14R1.4464 NC(=O)CCNc1ccc(cc1I)Cl 34a_100000761889_100000731001 [0,2,0,0,0,0|2,0,0]=4 14040 B14R1.4464 NC(=O)CCNc1ccc(cc1I)F 34a_100000760547_100000731001 [0,2,0,0,0,0|2,0,0]=4 14041 B14R1.4464 NC(=O)CCNc1ccc(cc1I)O 34a_100010084370_100000731001 [0,2,0,0,0,0|2,0,0]=4 14042 B14R1.4464 NC(=O)CCNc1ccc(cc1O)Br 34a_100000739049_100000731001 [0,2,0,0,0,0|2,0,0]=4 14043 B14R1.4464 NC(=O)CCNc1ccc(cc1O)Cl 34a_100000185728_100000731001 [0,2,0,0,0,0|2,0,0]=4 14044 B14R1.4464 NC(=O)CCNc1ccc(cc1O)F 34a_100000753323_100000731001 [0,2,0,0,0,0|2,0,0]=4 14045 B14R1.4464 NC(=O)CCNc1ccc(cc1O)O 34a_100000106777_100000731001 [0,2,0,0,0,0|2,0,0]=4 14046 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Br 34a_100000188717_100000731001 [0,2,0,0,0,0|2,0,0]=4 14047 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Br 7a_100000188717_100000744528 [0,2,0,0,0,0|2,0,0]=4 14048 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Cl 34a_100000211998_100000731001 [0,2,0,0,0,0|2,0,0]=4 14049 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Cl 7a_100000211998_100000744528 [0,2,0,0,0,0|2,0,0]=4 14050 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)F 34a_100000211999_100000731001 [0,2,0,0,0,0|2,0,0]=4 14051 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)F 7a_100000211999_100000744528 [0,2,0,0,0,0|2,0,0]=4 14052 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)I 34a_100012361655_100000731001 [0,2,0,0,0,0|2,0,0]=4 14053 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)I 7a_100012361655_100000744528 [0,2,0,0,0,0|2,0,0]=4 14054 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)N 34a_100011534360_100000731001 [0,2,0,0,0,0|2,0,0]=4 14055 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)N 7a_100011534360_100000744528 [0,2,0,0,0,0|2,0,0]=4 14056 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Br 34a_100000186472_100000731001 [0,2,0,0,0,0|2,0,0]=4 14057 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Br 7a_100000186472_100000744528 [0,2,0,0,0,0|2,0,0]=4 14058 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000731001 [0,2,0,0,0,0|2,0,0]=4 14059 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000744528 [0,2,0,0,0,0|2,0,0]=4 14060 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)F 34a_100000212004_100000731001 [0,2,0,0,0,0|2,0,0]=4 14061 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)F 7a_100000212004_100000744528 [0,2,0,0,0,0|2,0,0]=4 14062 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)I 34a_100012360047_100000731001 [0,2,0,0,0,0|2,0,0]=4 14063 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)I 7a_100012360047_100000744528 [0,2,0,0,0,0|2,0,0]=4 14064 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)N 34a_100000744943_100000731001 [0,2,0,0,0,0|2,0,0]=4 14065 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)N 7a_100000744943_100000744528 [0,2,0,0,0,0|2,0,0]=4 14066 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Br 34a_100000185481_100000731001 [0,2,0,0,0,0|2,0,0]=4 14067 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Br 7a_100000185481_100000744528 [0,2,0,0,0,0|2,0,0]=4 14068 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Cl 34a_100000230166_100000731001 [0,2,0,0,0,0|2,0,0]=4 14069 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Cl 7a_100000230166_100000744528 [0,2,0,0,0,0|2,0,0]=4 14070 B14R1.4464 NC(=O)CCOc1ccc(cc1F)F 34a_100000230127_100000731001 [0,2,0,0,0,0|2,0,0]=4 14071 B14R1.4464 NC(=O)CCOc1ccc(cc1F)F 7a_100000230127_100000744528 [0,2,0,0,0,0|2,0,0]=4 14072 B14R1.4464 NC(=O)CCOc1ccc(cc1F)I 34a_100011356965_100000731001 [0,2,0,0,0,0|2,0,0]=4 14073 B14R1.4464 NC(=O)CCOc1ccc(cc1F)I 7a_100011356965_100000744528 [0,2,0,0,0,0|2,0,0]=4 14074 B14R1.4464 NC(=O)CCOc1ccc(cc1F)N 34a_100011220035_100000731001 [0,2,0,0,0,0|2,0,0]=4 14075 B14R1.4464 NC(=O)CCOc1ccc(cc1F)N 7a_100011220035_100000744528 [0,2,0,0,0,0|2,0,0]=4 14076 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Br 34a_100012355227_100000731001 [0,2,0,0,0,0|2,0,0]=4 14077 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Br 7a_100012355227_100000744528 [0,2,0,0,0,0|2,0,0]=4 14078 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Cl 34a_100011356953_100000731001 [0,2,0,0,0,0|2,0,0]=4 14079 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Cl 7a_100011356953_100000744528 [0,2,0,0,0,0|2,0,0]=4 14080 B14R1.4464 NC(=O)CCOc1ccc(cc1I)F 34a_100012355409_100000731001 [0,2,0,0,0,0|2,0,0]=4 14081 B14R1.4464 NC(=O)CCOc1ccc(cc1I)F 7a_100012355409_100000744528 [0,2,0,0,0,0|2,0,0]=4 14082 B14R1.4464 NC(=O)CCOc1ccc(cc1I)I 7a_100010001573_100000744528 [0,2,0,0,0,0|2,0,0]=4 14083 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Br 34a_100000752626_100000731001 [0,2,0,0,0,0|2,0,0]=4 14084 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Br 7a_100000752626_100000744528 [0,2,0,0,0,0|2,0,0]=4 14085 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Cl 34a_100000210500_100000731001 [0,2,0,0,0,0|2,0,0]=4 14086 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Cl 7a_100000210500_100000744528 [0,2,0,0,0,0|2,0,0]=4 14087 B14R1.4464 NC(=O)CCOc1ccc(cc1N)F 34a_100000759472_100000731001 [0,2,0,0,0,0|2,0,0]=4 14088 B14R1.4464 NC(=O)CCOc1ccc(cc1N)F 7a_100000759472_100000744528 [0,2,0,0,0,0|2,0,0]=4 14089 B14R1.4464 NC(=O)CCOc1ccc(cc1N)I 34a_100000753495_100000731001 [0,2,0,0,0,0|2,0,0]=4 14090 B14R1.4464 NC(=O)CCOc1ccc(cc1N)I 7a_100000753495_100000744528 [0,2,0,0,0,0|2,0,0]=4 14091 B14R1.4464 NC(=O)CCOc1ccc(cc1N)N 34a_100000725306_100000731001 [0,2,0,0,0,0|2,0,0]=4 14092 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Br 62a_100000744528_100011484698 [0,2,0,0,0,0|2,0,0]=4 14093 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Br 62a_100011484698_100000744528 [0,2,0,0,0,0|2,0,0]=4 14094 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Cl 62a_100000744528_100011219703 [0,2,0,0,0,0|2,0,0]=4 14095 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Cl 62a_100011219703_100000744528 [0,2,0,0,0,0|2,0,0]=4 14096 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)F 62a_100000744528_100011217111 [0,2,0,0,0,0|2,0,0]=4 14097 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)F 62a_100011217111_100000744528 [0,2,0,0,0,0|2,0,0]=4 14098 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)N 62a_100000744528_100000750458 [0,2,0,0,0,0|2,0,0]=4 14099 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)N 62a_100000750458_100000744528 [0,2,0,0,0,0|2,0,0]=4 14100 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)O 62a_100000701344_100000744528 [0,2,0,0,0,0|2,0,0]=4 14101 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)O 62a_100000744528_100000701344 [0,2,0,0,0,0|2,0,0]=4 14102 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Br 62a_100000744528_100011216062 [0,2,0,0,0,0|2,0,0]=4 14103 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Br 62a_100011216062_100000744528 [0,2,0,0,0,0|2,0,0]=4 14104 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000744528 [0,2,0,0,0,0|2,0,0]=4 14105 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000744528_100000699841 [0,2,0,0,0,0|2,0,0]=4 14106 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)F 62a_100000733362_100000744528 [0,2,0,0,0,0|2,0,0]=4 14107 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)F 62a_100000744528_100000733362 [0,2,0,0,0,0|2,0,0]=4 14108 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)N 62a_100000744528_100000761885 [0,2,0,0,0,0|2,0,0]=4 14109 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)N 62a_100000761885_100000744528 [0,2,0,0,0,0|2,0,0]=4 14110 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)O 62a_100000047559_100000744528 [0,2,0,0,0,0|2,0,0]=4 14111 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)O 62a_100000744528_100000047559 [0,2,0,0,0,0|2,0,0]=4 14112 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Br 62a_100000744528_100009814013 [0,2,0,0,0,0|2,0,0]=4 14113 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Br 62a_100009814013_100000744528 [0,2,0,0,0,0|2,0,0]=4 14114 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Cl 62a_100000744528_100011216042 [0,2,0,0,0,0|2,0,0]=4 14115 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Cl 62a_100011216042_100000744528 [0,2,0,0,0,0|2,0,0]=4 14116 B14R1.4464 NC(=O)CCSc1ccc(cc1F)F 62a_100000744528_100000750030 [0,2,0,0,0,0|2,0,0]=4 14117 B14R1.4464 NC(=O)CCSc1ccc(cc1F)F 62a_100000750030_100000744528 [0,2,0,0,0,0|2,0,0]=4 14118 B14R1.4464 NC(=O)CCSc1ccc(cc1F)N 62a_100000744528_100011356925 [0,2,0,0,0,0|2,0,0]=4 14119 B14R1.4464 NC(=O)CCSc1ccc(cc1F)N 62a_100011356925_100000744528 [0,2,0,0,0,0|2,0,0]=4 14120 B14R1.4464 NC(=O)CCSc1ccc(cc1F)O 62a_100000744528_100000755031 [0,2,0,0,0,0|2,0,0]=4 14121 B14R1.4464 NC(=O)CCSc1ccc(cc1F)O 62a_100000755031_100000744528 [0,2,0,0,0,0|2,0,0]=4 14122 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Br 62a_100000743836_100000744528 [0,2,0,0,0,0|2,0,0]=4 14123 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Br 62a_100000744528_100000743836 [0,2,0,0,0,0|2,0,0]=4 14124 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Cl 62a_100000744528_100000761886 [0,2,0,0,0,0|2,0,0]=4 14125 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Cl 62a_100000761886_100000744528 [0,2,0,0,0,0|2,0,0]=4 14126 B14R1.4464 NC(=O)CCSc1ccc(cc1N)F 62a_100000687223_100000744528 [0,2,0,0,0,0|2,0,0]=4 14127 B14R1.4464 NC(=O)CCSc1ccc(cc1N)F 62a_100000744528_100000687223 [0,2,0,0,0,0|2,0,0]=4 14128 B14R1.4464 NC(=O)CCSc1ccc(cc1N)N 62a_100000744528_200012175722 [0,2,0,0,0,0|2,0,0]=4 14129 B14R1.4464 NC(=O)CCSc1ccc(cc1N)N 62a_200012175722_100000744528 [0,2,0,0,0,0|2,0,0]=4 14130 B14R1.4464 NC(=O)CCSc1ccc(cc1N)O 62a_100000744528_100011999798 [0,2,0,0,0,0|2,0,0]=4 14131 B14R1.4464 NC(=O)CCSc1ccc(cc1N)O 62a_100011999798_100000744528 [0,2,0,0,0,0|2,0,0]=4 14132 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Br 62a_100000744528_100012344904 [0,2,0,0,0,0|2,0,0]=4 14133 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Br 62a_100012344904_100000744528 [0,2,0,0,0,0|2,0,0]=4 14134 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Cl 62a_100000050036_100000744528 [0,2,0,0,0,0|2,0,0]=4 14135 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Cl 62a_100000744528_100000050036 [0,2,0,0,0,0|2,0,0]=4 14136 B14R1.4464 NC(=O)CCSc1ccc(cc1O)F 62a_100000690578_100000744528 [0,2,0,0,0,0|2,0,0]=4 14137 B14R1.4464 NC(=O)CCSc1ccc(cc1O)F 62a_100000744528_100000690578 [0,2,0,0,0,0|2,0,0]=4 14138 B14R1.4464 NC(=O)CCSc1ccc(cc1O)O 62a_100000744528_100009813921 [0,2,0,0,0,0|2,0,0]=4 14139 B14R1.4464 NC(=O)CNCc1ccc(cc1Br)Br 2230a_100000711301_200012351560 [0,2,0,0,0,0|2,0,0]=4 14140 B14R1.4464 NC(=O)CNCc1ccc(cc1Br)Cl 2230a_100000711301_100000755608 [0,2,0,0,0,0|2,0,0]=4 14141 B14R1.4464 NC(=O)CNCc1ccc(cc1Br)Cl 34a_100102692131_100000187820 [0,2,0,0,0,0|2,0,0]=4 14142 B14R1.4464 NC(=O)CNCc1ccc(cc1Br)F 2230a_100000711301_100000243222 [0,2,0,0,0,0|2,0,0]=4 14143 B14R1.4464 NC(=O)CNCc1ccc(cc1Br)F 34a_100000708791_100000187820 [0,2,0,0,0,0|2,0,0]=4 14144 B14R1.4464 NC(=O)CNCc1ccc(cc1Br)I 2230a_100000711301_100010146610 [0,2,0,0,0,0|2,0,0]=4 14145 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)Br 2230a_100000711301_100011740631 [0,2,0,0,0,0|2,0,0]=4 14146 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)Br 34a_100020628970_100000187820 [0,2,0,0,0,0|2,0,0]=4 14147 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)Cl 2230a_100000711301_100000188473 [0,2,0,0,0,0|2,0,0]=4 14148 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100000187820 [0,2,0,0,0,0|2,0,0]=4 14149 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)F 2230a_100000711301_100011216360 [0,2,0,0,0,0|2,0,0]=4 14150 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)F 34a_100000174946_100000187820 [0,2,0,0,0,0|2,0,0]=4 14151 B14R1.4464 NC(=O)CNCc1ccc(cc1Cl)O 34a_200161156549_100000187820 [0,2,0,0,0,0|2,0,0]=4 14152 B14R1.4464 NC(=O)CNCc1ccc(cc1F)Br 2230a_100000711301_100000211606 [0,2,0,0,0,0|2,0,0]=4 14153 B14R1.4464 NC(=O)CNCc1ccc(cc1F)Br 34a_100000754580_100000187820 [0,2,0,0,0,0|2,0,0]=4 14154 B14R1.4464 NC(=O)CNCc1ccc(cc1F)Cl 2230a_100000711301_100000709361 [0,2,0,0,0,0|2,0,0]=4 14155 B14R1.4464 NC(=O)CNCc1ccc(cc1F)Cl 34a_100000708496_100000187820 [0,2,0,0,0,0|2,0,0]=4 14156 B14R1.4464 NC(=O)CNCc1ccc(cc1F)F 2230a_100000711301_100000748237 [0,2,0,0,0,0|2,0,0]=4 14157 B14R1.4464 NC(=O)CNCc1ccc(cc1F)F 34a_100000737868_100000187820 [0,2,0,0,0,0|2,0,0]=4 14158 B14R1.4464 NC(=O)CNCc1ccc(cc1F)I 2230a_100000711301_100010244991 [0,2,0,0,0,0|2,0,0]=4 14159 B14R1.4464 NC(=O)CNCc1ccc(cc1I)Br 2230a_100000711301_100010146615 [0,2,0,0,0,0|2,0,0]=4 14160 B14R1.4464 NC(=O)CNCc1ccc(cc1I)Cl 2230a_100000711301_100010254388 [0,2,0,0,0,0|2,0,0]=4 14161 B14R1.4464 NC(=O)CNCc1ccc(cc1I)F 2230a_100000711301_100012354799 [0,2,0,0,0,0|2,0,0]=4 14162 B14R1.4464 NC(=O)COCc1ccc(cc1Br)Br 34a_100012357508_100000187820 [0,2,0,0,0,0|2,0,0]=4 14163 B14R1.4464 NC(=O)COCc1ccc(cc1Br)Br 7a_100012357508_100000187820 [0,2,0,0,0,0|2,0,0]=4 14164 B14R1.4464 NC(=O)COCc1ccc(cc1Br)Cl 34a_100000707881_100000187820 [0,2,0,0,0,0|2,0,0]=4 14165 B14R1.4464 NC(=O)COCc1ccc(cc1Br)Cl 7a_100000707881_100000187820 [0,2,0,0,0,0|2,0,0]=4 14166 B14R1.4464 NC(=O)COCc1ccc(cc1Br)F 34a_100000744086_100000187820 [0,2,0,0,0,0|2,0,0]=4 14167 B14R1.4464 NC(=O)COCc1ccc(cc1Br)F 7a_100000744086_100000187820 [0,2,0,0,0,0|2,0,0]=4 14168 B14R1.4464 NC(=O)COCc1ccc(cc1Br)I 7a_100010240206_100000187820 [0,2,0,0,0,0|2,0,0]=4 14169 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)Br 34a_100000756401_100000187820 [0,2,0,0,0,0|2,0,0]=4 14170 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)Br 7a_100000756401_100000187820 [0,2,0,0,0,0|2,0,0]=4 14171 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)Cl 34a_100000215721_100000187820 [0,2,0,0,0,0|2,0,0]=4 14172 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)Cl 7a_100000215721_100000187820 [0,2,0,0,0,0|2,0,0]=4 14173 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)F 34a_100011219954_100000187820 [0,2,0,0,0,0|2,0,0]=4 14174 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)F 7a_100011219954_100000187820 [0,2,0,0,0,0|2,0,0]=4 14175 B14R1.4464 NC(=O)COCc1ccc(cc1Cl)N 34a_100000689119_100000187820 [0,2,0,0,0,0|2,0,0]=4 14176 B14R1.4464 NC(=O)COCc1ccc(cc1F)Br 34a_100011191541_100000187820 [0,2,0,0,0,0|2,0,0]=4 14177 B14R1.4464 NC(=O)COCc1ccc(cc1F)Br 7a_100011191541_100000187820 [0,2,0,0,0,0|2,0,0]=4 14178 B14R1.4464 NC(=O)COCc1ccc(cc1F)Cl 34a_100011217562_100000187820 [0,2,0,0,0,0|2,0,0]=4 14179 B14R1.4464 NC(=O)COCc1ccc(cc1F)Cl 7a_100011217562_100000187820 [0,2,0,0,0,0|2,0,0]=4 14180 B14R1.4464 NC(=O)COCc1ccc(cc1F)F 34a_100011215441_100000187820 [0,2,0,0,0,0|2,0,0]=4 14181 B14R1.4464 NC(=O)COCc1ccc(cc1F)F 7a_100011215441_100000187820 [0,2,0,0,0,0|2,0,0]=4 14182 B14R1.4464 NC(=O)COCc1ccc(cc1F)I 34a_200010202041_100000187820 [0,2,0,0,0,0|2,0,0]=4 14183 B14R1.4464 NC(=O)COCc1ccc(cc1F)I 7a_200010202041_100000187820 [0,2,0,0,0,0|2,0,0]=4 14184 B14R1.4464 NC(=O)COCc1ccc(cc1I)Br 7a_100010146605_100000187820 [0,2,0,0,0,0|2,0,0]=4 14185 B14R1.4464 NC(=O)COCc1ccc(cc1I)Cl 34a_100000722340_100000187820 [0,2,0,0,0,0|2,0,0]=4 14186 B14R1.4464 NC(=O)COCc1ccc(cc1I)Cl 7a_100000722340_100000187820 [0,2,0,0,0,0|2,0,0]=4 14187 B14R1.4464 NC(=O)COCc1ccc(cc1I)F 34a_100011356828_100000187820 [0,2,0,0,0,0|2,0,0]=4 14188 B14R1.4464 NC(=O)COCc1ccc(cc1I)F 7a_100011356828_100000187820 [0,2,0,0,0,0|2,0,0]=4 14189 B14R1.4464 NC(=O)COCc1ccc(cc1N)Br 34a_100000718831_100000187820 [0,2,0,0,0,0|2,0,0]=4 14190 B14R1.4464 NC(=O)COCc1ccc(cc1N)Br 7a_100000718831_100000187820 [0,2,0,0,0,0|2,0,0]=4 14191 B14R1.4464 NC(=O)COCc1ccc(cc1N)Cl 34a_100000238622_100000187820 [0,2,0,0,0,0|2,0,0]=4 14192 B14R1.4464 NC(=O)COCc1ccc(cc1N)Cl 7a_100000238622_100000187820 [0,2,0,0,0,0|2,0,0]=4 14193 B14R1.4464 NC(=O)COCc1ccc(cc1N)F 34a_100011996588_100000187820 [0,2,0,0,0,0|2,0,0]=4 14194 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)Br 62a_100000747473_200012351560 [0,2,0,0,0,0|2,0,0]=4 14195 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)Br 62a_200012351560_100000747473 [0,2,0,0,0,0|2,0,0]=4 14196 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)Cl 62a_100000747473_100000755608 [0,2,0,0,0,0|2,0,0]=4 14197 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)Cl 62a_100000755608_100000747473 [0,2,0,0,0,0|2,0,0]=4 14198 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)F 62a_100000243222_100000747473 [0,2,0,0,0,0|2,0,0]=4 14199 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)F 62a_100000747473_100000243222 [0,2,0,0,0,0|2,0,0]=4 14200 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)I 62a_100000747473_100010146610 [0,2,0,0,0,0|2,0,0]=4 14201 B14R1.4464 NC(=O)CSCc1ccc(cc1Br)I 62a_100010146610_100000747473 [0,2,0,0,0,0|2,0,0]=4 14202 B14R1.4464 NC(=O)CSCc1ccc(cc1Cl)Br 62a_100000747473_100011740631 [0,2,0,0,0,0|2,0,0]=4 14203 B14R1.4464 NC(=O)CSCc1ccc(cc1Cl)Br 62a_100011740631_100000747473 [0,2,0,0,0,0|2,0,0]=4 14204 B14R1.4464 NC(=O)CSCc1ccc(cc1Cl)Cl 62a_100000188473_100000747473 [0,2,0,0,0,0|2,0,0]=4 14205 B14R1.4464 NC(=O)CSCc1ccc(cc1Cl)Cl 62a_100000747473_100000188473 [0,2,0,0,0,0|2,0,0]=4 14206 B14R1.4464 NC(=O)CSCc1ccc(cc1Cl)F 62a_100000187853_100000747473 [0,2,0,0,0,0|2,0,0]=4 14207 B14R1.4464 NC(=O)CSCc1ccc(cc1Cl)F 62a_100000747473_100000187853 [0,2,0,0,0,0|2,0,0]=4 14208 B14R1.4464 NC(=O)CSCc1ccc(cc1F)Br 62a_100000211606_100000747473 [0,2,0,0,0,0|2,0,0]=4 14209 B14R1.4464 NC(=O)CSCc1ccc(cc1F)Br 62a_100000747473_100000211606 [0,2,0,0,0,0|2,0,0]=4 14210 B14R1.4464 NC(=O)CSCc1ccc(cc1F)Cl 62a_100000709361_100000747473 [0,2,0,0,0,0|2,0,0]=4 14211 B14R1.4464 NC(=O)CSCc1ccc(cc1F)Cl 62a_100000747473_100000709361 [0,2,0,0,0,0|2,0,0]=4 14212 B14R1.4464 NC(=O)CSCc1ccc(cc1F)F 62a_100000747473_100000748237 [0,2,0,0,0,0|2,0,0]=4 14213 B14R1.4464 NC(=O)CSCc1ccc(cc1F)F 62a_100000748237_100000747473 [0,2,0,0,0,0|2,0,0]=4 14214 B14R1.4464 NC(=O)CSCc1ccc(cc1F)I 62a_100000747473_100010244991 [0,2,0,0,0,0|2,0,0]=4 14215 B14R1.4464 NC(=O)CSCc1ccc(cc1F)I 62a_100010244991_100000747473 [0,2,0,0,0,0|2,0,0]=4 14216 B14R1.4464 NC(=O)CSCc1ccc(cc1I)Br 62a_100000747473_100010146615 [0,2,0,0,0,0|2,0,0]=4 14217 B14R1.4464 NC(=O)CSCc1ccc(cc1I)Br 62a_100010146615_100000747473 [0,2,0,0,0,0|2,0,0]=4 14218 B14R1.4464 NC(=O)CSCc1ccc(cc1I)Cl 62a_100000747473_100010254388 [0,2,0,0,0,0|2,0,0]=4 14219 B14R1.4464 NC(=O)CSCc1ccc(cc1I)Cl 62a_100010254388_100000747473 [0,2,0,0,0,0|2,0,0]=4 14220 B14R1.4464 NC(=O)CSCc1ccc(cc1I)F 62a_100000747473_100012354799 [0,2,0,0,0,0|2,0,0]=4 14221 B14R1.4464 NC(=O)CSCc1ccc(cc1I)F 62a_100012354799_100000747473 [0,2,0,0,0,0|2,0,0]=4 14222 B14R1.4464 Nc1cc(ccc1COCC(=O)[O-])Br 34a_100000718831_100020667443 [0,2,0,0,0,0|1,0,1]=4 14223 B14R1.4464 Nc1cc(ccc1COCC(=O)[O-])Cl 34a_100000238622_100020667443 [0,2,0,0,0,0|1,0,1]=4 14224 B14R1.4464 Nc1cc(ccc1COCC(=O)[O-])F 34a_100011996588_100020667443 [0,2,0,0,0,0|1,0,1]=4 14225 B14R1.4464 Nc1ccc(c(c1)Cl)COCC(=O)[O-] 34a_100000689119_100020667443 [0,2,0,0,0,0|1,0,1]=4 14226 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)Br 269956a_100016091260_200012351560 [0,2,0,0,0,0|1,0,0]=3 14227 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)Cl 269956a_100016091260_100000755608 [0,2,0,0,0,0|1,0,0]=3 14228 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)F 269956a_100016091260_100000243222 [0,2,0,0,0,0|1,0,0]=3 14229 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)I 269956a_100016091260_100010146610 [0,2,0,0,0,0|1,0,0]=3 14230 B14R1.4464 O=C(O)CNCc1ccc(cc1Cl)Br 269956a_100016091260_100011740631 [0,2,0,0,0,0|1,0,0]=3 14231 B14R1.4464 O=C(O)CNCc1ccc(cc1Cl)Cl 269956a_100016091260_100000188473 [0,2,0,0,0,0|1,0,0]=3 14232 B14R1.4464 O=C(O)CNCc1ccc(cc1Cl)F 269956a_100016091260_100000187853 [0,2,0,0,0,0|1,0,0]=3 14233 B14R1.4464 O=C(O)CNCc1ccc(cc1F)Br 269956a_100016091260_100000211606 [0,2,0,0,0,0|1,0,0]=3 14234 B14R1.4464 O=C(O)CNCc1ccc(cc1F)Cl 269956a_100016091260_100000709361 [0,2,0,0,0,0|1,0,0]=3 14235 B14R1.4464 O=C(O)CNCc1ccc(cc1F)F 269956a_100016091260_100000748237 [0,2,0,0,0,0|1,0,0]=3 14236 B14R1.4464 O=C(O)CNCc1ccc(cc1F)I 269956a_100016091260_100010244991 [0,2,0,0,0,0|1,0,0]=3 14237 B14R1.4464 O=C(O)CNCc1ccc(cc1I)Br 269956a_100016091260_100010146615 [0,2,0,0,0,0|1,0,0]=3 14238 B14R1.4464 O=C(O)CNCc1ccc(cc1I)Cl 269956a_100016091260_100010254388 [0,2,0,0,0,0|1,0,0]=3 14239 B14R1.4464 O=C(O)CNCc1ccc(cc1I)F 269956a_100016091260_100012354799 [0,2,0,0,0,0|1,0,0]=3 14240 B14R1.4464 O=C(O)CNCc1ccc(nc1Cl)Cl 269956a_100016091260_100000722033 [0,2,0,0,0,0|2,0,0]=4 14241 B14R1.4464 O=C(O)CNCc1cnc(cc1Cl)Cl 269956a_100016091260_100011997056 [0,2,0,0,0,0|2,0,0]=4 14242 B14R1.4464 O=C(O)CNCc1ncc(cc1F)Cl 269956a_100016091260_200009879301 [0,2,0,0,0,0|2,0,0]=4 14243 B14R1.4464 O=C([O-])CNCc1ccc(cc1Br)Cl 34a_100102692131_100020667443 [0,2,0,0,0,0|1,0,1]=4 14244 B14R1.4464 O=C([O-])CNCc1ccc(cc1Br)F 34a_100000708791_100020667443 [0,2,0,0,0,0|1,0,1]=4 14245 B14R1.4464 O=C([O-])CNCc1ccc(cc1Cl)Br 34a_100020628970_100020667443 [0,2,0,0,0,0|1,0,1]=4 14246 B14R1.4464 O=C([O-])CNCc1ccc(cc1Cl)Cl 34a_100000174880_100020667443 [0,2,0,0,0,0|1,0,1]=4 14247 B14R1.4464 O=C([O-])CNCc1ccc(cc1Cl)F 34a_100000174946_100020667443 [0,2,0,0,0,0|1,0,1]=4 14248 B14R1.4464 O=C([O-])CNCc1ccc(cc1Cl)O 34a_200161156549_100020667443 [0,2,0,0,0,0|1,0,1]=4 14249 B14R1.4464 O=C([O-])CNCc1ccc(cc1F)Br 34a_100000754580_100020667443 [0,2,0,0,0,0|1,0,1]=4 14250 B14R1.4464 O=C([O-])CNCc1ccc(cc1F)Cl 34a_100000708496_100020667443 [0,2,0,0,0,0|1,0,1]=4 14251 B14R1.4464 O=C([O-])CNCc1ccc(cc1F)F 34a_100000737868_100020667443 [0,2,0,0,0,0|1,0,1]=4 14252 B14R1.4464 O=C([O-])COCc1ccc(cc1Br)Br 34a_100012357508_100020667443 [0,2,0,0,0,0|1,0,1]=4 14253 B14R1.4464 O=C([O-])COCc1ccc(cc1Br)Cl 34a_100000707881_100020667443 [0,2,0,0,0,0|1,0,1]=4 14254 B14R1.4464 O=C([O-])COCc1ccc(cc1Br)F 34a_100000744086_100020667443 [0,2,0,0,0,0|1,0,1]=4 14255 B14R1.4464 O=C([O-])COCc1ccc(cc1Cl)Br 34a_100000756401_100020667443 [0,2,0,0,0,0|1,0,1]=4 14256 B14R1.4464 O=C([O-])COCc1ccc(cc1Cl)Cl 34a_100000215721_100020667443 [0,2,0,0,0,0|1,0,1]=4 14257 B14R1.4464 O=C([O-])COCc1ccc(cc1Cl)F 34a_100011219954_100020667443 [0,2,0,0,0,0|1,0,1]=4 14258 B14R1.4464 O=C([O-])COCc1ccc(cc1F)Br 34a_100011191541_100020667443 [0,2,0,0,0,0|1,0,1]=4 14259 B14R1.4464 O=C([O-])COCc1ccc(cc1F)Cl 34a_100011217562_100020667443 [0,2,0,0,0,0|1,0,1]=4 14260 B14R1.4464 O=C([O-])COCc1ccc(cc1F)F 34a_100011215441_100020667443 [0,2,0,0,0,0|1,0,1]=4 14261 B14R1.4464 O=C([O-])COCc1ccc(cc1F)I 34a_200010202041_100020667443 [0,2,0,0,0,0|1,0,1]=4 14262 B14R1.4464 O=C([O-])COCc1ccc(cc1I)Cl 34a_100000722340_100020667443 [0,2,0,0,0,0|1,0,1]=4 14263 B14R1.4464 O=C([O-])COCc1ccc(cc1I)F 34a_100011356828_100020667443 [0,2,0,0,0,0|1,0,1]=4 14264 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)Br 62a_100020667443_200012351560 [0,2,0,0,0,0|1,0,1]=4 14265 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)Br 62a_200012351560_100020667443 [0,2,0,0,0,0|1,0,1]=4 14266 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)Cl 62a_100000755608_100020667443 [0,2,0,0,0,0|1,0,1]=4 14267 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)Cl 62a_100020667443_100000755608 [0,2,0,0,0,0|1,0,1]=4 14268 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)F 62a_100000243222_100020667443 [0,2,0,0,0,0|1,0,1]=4 14269 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)F 62a_100020667443_100000243222 [0,2,0,0,0,0|1,0,1]=4 14270 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)I 62a_100010146610_100020667443 [0,2,0,0,0,0|1,0,1]=4 14271 B14R1.4464 O=C([O-])CSCc1ccc(cc1Br)I 62a_100020667443_100010146610 [0,2,0,0,0,0|1,0,1]=4 14272 B14R1.4464 O=C([O-])CSCc1ccc(cc1Cl)Br 62a_100011740631_100020667443 [0,2,0,0,0,0|1,0,1]=4 14273 B14R1.4464 O=C([O-])CSCc1ccc(cc1Cl)Br 62a_100020667443_100011740631 [0,2,0,0,0,0|1,0,1]=4 14274 B14R1.4464 O=C([O-])CSCc1ccc(cc1Cl)Cl 62a_100000188473_100020667443 [0,2,0,0,0,0|1,0,1]=4 14275 B14R1.4464 O=C([O-])CSCc1ccc(cc1Cl)Cl 62a_100020667443_100000188473 [0,2,0,0,0,0|1,0,1]=4 14276 B14R1.4464 O=C([O-])CSCc1ccc(cc1Cl)F 62a_100000187853_100020667443 [0,2,0,0,0,0|1,0,1]=4 14277 B14R1.4464 O=C([O-])CSCc1ccc(cc1Cl)F 62a_100020667443_100000187853 [0,2,0,0,0,0|1,0,1]=4 14278 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)Br 62a_100000211606_100020667443 [0,2,0,0,0,0|1,0,1]=4 14279 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)Br 62a_100020667443_100000211606 [0,2,0,0,0,0|1,0,1]=4 14280 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)Cl 62a_100000709361_100020667443 [0,2,0,0,0,0|1,0,1]=4 14281 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)Cl 62a_100020667443_100000709361 [0,2,0,0,0,0|1,0,1]=4 14282 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)F 62a_100000748237_100020667443 [0,2,0,0,0,0|1,0,1]=4 14283 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)F 62a_100020667443_100000748237 [0,2,0,0,0,0|1,0,1]=4 14284 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)I 62a_100010244991_100020667443 [0,2,0,0,0,0|1,0,1]=4 14285 B14R1.4464 O=C([O-])CSCc1ccc(cc1F)I 62a_100020667443_100010244991 [0,2,0,0,0,0|1,0,1]=4 14286 B14R1.4464 O=C([O-])CSCc1ccc(cc1I)Br 62a_100010146615_100020667443 [0,2,0,0,0,0|1,0,1]=4 14287 B14R1.4464 O=C([O-])CSCc1ccc(cc1I)Br 62a_100020667443_100010146615 [0,2,0,0,0,0|1,0,1]=4 14288 B14R1.4464 O=C([O-])CSCc1ccc(cc1I)Cl 62a_100010254388_100020667443 [0,2,0,0,0,0|1,0,1]=4 14289 B14R1.4464 O=C([O-])CSCc1ccc(cc1I)Cl 62a_100020667443_100010254388 [0,2,0,0,0,0|1,0,1]=4 14290 B14R1.4464 O=C([O-])CSCc1ccc(cc1I)F 62a_100012354799_100020667443 [0,2,0,0,0,0|1,0,1]=4 14291 B14R1.4464 O=C([O-])CSCc1ccc(cc1I)F 62a_100020667443_100012354799 [0,2,0,0,0,0|1,0,1]=4 14292 B14R1.4464 [13CH3]C(=O)CCCc1ccc(cc1F)F 1458a_100011236538_200025704644 [0,2,0,0,0,0|1,0,0]=3 14293 B14R1.4464 [13CH3]C(=O)CCOc1ccc(cc1Cl)F 1458a_100000240429_200025704644 [0,2,0,0,0,0|2,0,0]=4 14294 B14R1.4464 [13CH3]C(=O)CCOc1ccc(cc1F)F 1458a_100000743258_200025704644 [0,2,0,0,0,0|2,0,0]=4 14295 B14R1.4464 [13CH3]C(=O)CSCc1ccc(cc1Cl)Cl 1458a_100000150271_200025704644 [0,2,0,0,0,0|2,0,0]=4 14296 B14R1.4920 CC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000053229 [0,2,0,0,0,0|2,0,0]=4 14297 B14R1.4920 CC(=O)CCOc1c(cccc1Br)C 7a_100009817157_100000053229 [0,2,0,0,0,0|2,0,0]=4 14298 B14R1.4920 CC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000053229 [0,2,0,0,0,0|2,0,0]=4 14299 B14R1.4920 CC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000053229 [0,2,0,0,0,0|2,0,0]=4 14300 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 1458a_100000070787_100000184555 [0,2,0,0,0,0|2,0,0]=4 14301 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 1458a_200000738035_200000210301 [0,2,0,0,0,0|2,0,0]=4 14302 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 7a_100000210341_100000053229 [0,2,0,0,0,0|2,0,0]=4 14303 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)C 7a_100000033731_100000053229 [0,2,0,0,0,0|2,0,0]=4 14304 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)Cl 1458a_100000070787_100000184560 [0,2,0,0,0,0|2,0,0]=4 14305 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000053229 [0,2,0,0,0,0|2,0,0]=4 14306 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000053229 [0,2,0,0,0,0|2,0,0]=4 14307 B14R1.4920 CC(=O)CCOc1c(cccc1F)C 7a_100011659162_100000053229 [0,2,0,0,0,0|2,0,0]=4 14308 B14R1.4920 CC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000053229 [0,2,0,0,0,0|2,0,0]=4 14309 B14R1.4920 CC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000053229 [0,2,0,0,0,0|2,0,0]=4 14310 B14R1.4920 CC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000053229 [0,2,0,0,0,0|2,0,0]=4 14311 B14R1.4920 CC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000053229 [0,2,0,0,0,0|2,0,0]=4 14312 B14R1.4920 CC(=O)CCOc1c(cccc1N)C 7a_100000756359_100000053229 [0,2,0,0,0,0|2,0,0]=4 14313 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Br 62a_100000053229_100009994525 [0,2,0,0,0,0|2,0,0]=4 14314 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Br 62a_100009994525_100000053229 [0,2,0,0,0,0|2,0,0]=4 14315 B14R1.4920 CC(=O)CCSc1c(cccc1Br)C 62a_100000053229_100010141302 [0,2,0,0,0,0|2,0,0]=4 14316 B14R1.4920 CC(=O)CCSc1c(cccc1Br)C 62a_100010141302_100000053229 [0,2,0,0,0,0|2,0,0]=4 14317 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Cl 62a_100000053229_100010214488 [0,2,0,0,0,0|2,0,0]=4 14318 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Cl 62a_100010214488_100000053229 [0,2,0,0,0,0|2,0,0]=4 14319 B14R1.4920 CC(=O)CCSc1c(cccc1Br)F 62a_100000053229_100011219512 [0,2,0,0,0,0|2,0,0]=4 14320 B14R1.4920 CC(=O)CCSc1c(cccc1Br)F 62a_100011219512_100000053229 [0,2,0,0,0,0|2,0,0]=4 14321 B14R1.4920 CC(=O)CCSc1c(cccc1Br)N 62a_100000053229_100020590159 [0,2,0,0,0,0|2,0,0]=4 14322 B14R1.4920 CC(=O)CCSc1c(cccc1Br)N 62a_100020590159_100000053229 [0,2,0,0,0,0|2,0,0]=4 14323 B14R1.4920 CC(=O)CCSc1c(cccc1Br)O 62a_100000053229_100010187912 [0,2,0,0,0,0|2,0,0]=4 14324 B14R1.4920 CC(=O)CCSc1c(cccc1Br)O 62a_100010187912_100000053229 [0,2,0,0,0,0|2,0,0]=4 14325 B14R1.4920 CC(=O)CCSc1c(cccc1C)C 62a_100000033847_100000053229 [0,2,0,0,0,0|2,0,0]=4 14326 B14R1.4920 CC(=O)CCSc1c(cccc1C)C 62a_100000053229_100000033847 [0,2,0,0,0,0|2,0,0]=4 14327 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)C 62a_100000043165_100000053229 [0,2,0,0,0,0|2,0,0]=4 14328 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)C 62a_100000053229_100000043165 [0,2,0,0,0,0|2,0,0]=4 14329 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)Cl 62a_100000034237_100000053229 [0,2,0,0,0,0|2,0,0]=4 14330 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)Cl 62a_100000053229_100000034237 [0,2,0,0,0,0|2,0,0]=4 14331 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)F 62a_100000050007_100000053229 [0,2,0,0,0,0|2,0,0]=4 14332 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)F 62a_100000053229_100000050007 [0,2,0,0,0,0|2,0,0]=4 14333 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)N 62a_100000049713_100000053229 [0,2,0,0,0,0|2,0,0]=4 14334 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)N 62a_100000053229_100000049713 [0,2,0,0,0,0|2,0,0]=4 14335 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)O 62a_100000053229_100000050174 [0,2,0,0,0,0|2,0,0]=4 14336 B14R1.4920 CC(=O)CCSc1c(cccc1F)C 62a_100000053229_100011218421 [0,2,0,0,0,0|2,0,0]=4 14337 B14R1.4920 CC(=O)CCSc1c(cccc1F)C 62a_100011218421_100000053229 [0,2,0,0,0,0|2,0,0]=4 14338 B14R1.4920 CC(=O)CCSc1c(cccc1F)F 62a_100000053229_100000693133 [0,2,0,0,0,0|2,0,0]=4 14339 B14R1.4920 CC(=O)CCSc1c(cccc1F)F 62a_100000693133_100000053229 [0,2,0,0,0,0|2,0,0]=4 14340 B14R1.4920 CC(=O)CCSc1c(cccc1F)N 62a_100000053229_100000690935 [0,2,0,0,0,0|2,0,0]=4 14341 B14R1.4920 CC(=O)CCSc1c(cccc1F)N 62a_100000690935_100000053229 [0,2,0,0,0,0|2,0,0]=4 14342 B14R1.4920 CC(=O)CCSc1c(cccc1F)O 62a_100000053229_100009820682 [0,2,0,0,0,0|2,0,0]=4 14343 B14R1.4920 CC(=O)CCSc1c(cccc1F)O 62a_100009820682_100000053229 [0,2,0,0,0,0|2,0,0]=4 14344 B14R1.4920 CC(=O)CCSc1c(cccc1N)C 62a_100000053229_100000684715 [0,2,0,0,0,0|2,0,0]=4 14345 B14R1.4920 CC(=O)CCSc1c(cccc1N)C 62a_100000684715_100000053229 [0,2,0,0,0,0|2,0,0]=4 14346 B14R1.4920 CC(=O)CCSc1c(cccc1O)C 62a_100000053229_100000686692 [0,2,0,0,0,0|2,0,0]=4 14347 B14R1.4920 CC(=O)CCSc1c(cccc1O)C 62a_100000686692_100000053229 [0,2,0,0,0,0|2,0,0]=4 14348 B14R1.4920 CC(=O)CCSc1c(cccc1O)N 62a_100000053229_100012183704 [0,2,0,0,0,0|2,0,0]=4 14349 B14R1.4920 CC(=O)CCSc1c(cccc1O)N 62a_100012183704_100000053229 [0,2,0,0,0,0|2,0,0]=4 14350 B14R1.4920 CC(=O)CCSc1c(cccc1O)O 62a_100000053229_100010205330 [0,2,0,0,0,0|2,0,0]=4 14351 B14R1.4920 CC(=O)COCc1c(cccc1Br)C 34a_100000211253_100010146847 [0,2,0,0,0,0|2,0,0]=4 14352 B14R1.4920 CC(=O)COCc1c(cccc1Br)Cl 34a_100000211253_100010138402 [0,2,0,0,0,0|2,0,0]=4 14353 B14R1.4920 CC(=O)COCc1c(cccc1Br)F 34a_100000211253_100012145669 [0,2,0,0,0,0|2,0,0]=4 14354 B14R1.4920 CC(=O)COCc1c(cccc1C)C 34a_100000211253_100000758300 [0,2,0,0,0,0|2,0,0]=4 14355 B14R1.4920 CC(=O)COCc1c(cccc1Cl)Cl 34a_100000211253_100000187851 [0,2,0,0,0,0|2,0,0]=4 14356 B14R1.4920 CC(=O)COCc1c(cccc1Cl)F 34a_100000211253_100000187852 [0,2,0,0,0,0|2,0,0]=4 14357 B14R1.4920 CC(=O)COCc1c(cccc1F)C 34a_100000211253_100009814554 [0,2,0,0,0,0|2,0,0]=4 14358 B14R1.4920 CC(=O)COCc1c(cccc1F)F 34a_100000211253_100000698325 [0,2,0,0,0,0|2,0,0]=4 14359 B14R1.4920 CC(=O)COCc1c(cccc1I)Br 34a_100000211253_100010146611 [0,2,0,0,0,0|2,0,0]=4 14360 B14R1.4920 CC(=O)COCc1c(cccc1I)C 34a_100000211253_100010150146 [0,2,0,0,0,0|2,0,0]=4 14361 B14R1.4920 CC(=O)COCc1c(cccc1I)F 34a_100000211253_100010149602 [0,2,0,0,0,0|2,0,0]=4 14362 B14R1.4920 CC(=O)CSCc1c(cccc1Cl)Cl 1458a_100000150275_200000210301 [0,2,0,0,0,0|2,0,0]=4 14363 B14R1.4920 CC(=O)CSCc1c(cccc1Cl)F 1458a_100000150273_200000210301 [0,2,0,0,0,0|2,0,0]=4 14364 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)Cl 11a_100032004868_100015343762 [0,2,0,0,0,0|2,0,0]=4 14365 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)Cl 1626a_100032004868_100015343762 [0,2,0,0,0,0|2,0,0]=4 14366 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)Cl 240690a_100032004868_100015343762 [0,2,0,0,0,0|2,0,0]=4 14367 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)Cl 527a_100032004868_100103153847 [0,2,0,0,0,0|2,0,0]=4 14368 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)F 11a_100000688150_100015343762 [0,2,0,0,0,0|2,0,0]=4 14369 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)F 1626a_100000688150_100015343762 [0,2,0,0,0,0|2,0,0]=4 14370 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)F 240690a_100000688150_100015343762 [0,2,0,0,0,0|2,0,0]=4 14371 B14R1.4920 CC(=O)NCCc1c(cccc1Cl)F 527a_100000688150_100103153847 [0,2,0,0,0,0|2,0,0]=4 14372 B14R1.4920 Cc1cccc(c1CNCC(=O)N)Br 2230a_100000711301_100010146847 [0,2,0,0,0,0|2,0,0]=4 14373 B14R1.4920 Cc1cccc(c1CNCC(=O)N)C 2230a_100000711301_100000758300 [0,2,0,0,0,0|2,0,0]=4 14374 B14R1.4920 Cc1cccc(c1CNCC(=O)N)C 34a_100000689800_100000187820 [0,2,0,0,0,0|2,0,0]=4 14375 B14R1.4920 Cc1cccc(c1CNCC(=O)N)F 2230a_100000711301_100009814554 [0,2,0,0,0,0|2,0,0]=4 14376 B14R1.4920 Cc1cccc(c1CNCC(=O)N)F 34a_100000762012_100000187820 [0,2,0,0,0,0|2,0,0]=4 14377 B14R1.4920 Cc1cccc(c1CNCC(=O)N)I 2230a_100000711301_100010150146 [0,2,0,0,0,0|2,0,0]=4 14378 B14R1.4920 Cc1cccc(c1CNCC(=O)O)Br 269956a_100016091260_100010146847 [0,2,0,0,0,0|1,0,0]=3 14379 B14R1.4920 Cc1cccc(c1CNCC(=O)O)C 269956a_100016091260_100000758300 [0,2,0,0,0,0|1,0,0]=3 14380 B14R1.4920 Cc1cccc(c1CNCC(=O)O)F 269956a_100016091260_100009814554 [0,2,0,0,0,0|1,0,0]=3 14381 B14R1.4920 Cc1cccc(c1CNCC(=O)O)I 269956a_100016091260_100010150146 [0,2,0,0,0,0|1,0,0]=3 14382 B14R1.4920 Cc1cccc(c1CNCC(=O)[O-])C 34a_100000689800_100020667443 [0,2,0,0,0,0|1,0,1]=4 14383 B14R1.4920 Cc1cccc(c1CNCC(=O)[O-])F 34a_100000762012_100020667443 [0,2,0,0,0,0|1,0,1]=4 14384 B14R1.4920 Cc1cccc(c1COCC(=O)N)C 34a_100011933981_100000187820 [0,2,0,0,0,0|2,0,0]=4 14385 B14R1.4920 Cc1cccc(c1COCC(=O)N)C 7a_100011933981_100000187820 [0,2,0,0,0,0|2,0,0]=4 14386 B14R1.4920 Cc1cccc(c1COCC(=O)N)Cl 34a_100000082531_100000187820 [0,2,0,0,0,0|2,0,0]=4 14387 B14R1.4920 Cc1cccc(c1COCC(=O)N)Cl 7a_100000082531_100000187820 [0,2,0,0,0,0|2,0,0]=4 14388 B14R1.4920 Cc1cccc(c1COCC(=O)N)F 34a_100000057874_100000187820 [0,2,0,0,0,0|2,0,0]=4 14389 B14R1.4920 Cc1cccc(c1COCC(=O)N)F 7a_100000057874_100000187820 [0,2,0,0,0,0|2,0,0]=4 14390 B14R1.4920 Cc1cccc(c1COCC(=O)[O-])C 34a_100011933981_100020667443 [0,2,0,0,0,0|1,0,1]=4 14391 B14R1.4920 Cc1cccc(c1COCC(=O)[O-])Cl 34a_100000082531_100020667443 [0,2,0,0,0,0|1,0,1]=4 14392 B14R1.4920 Cc1cccc(c1COCC(=O)[O-])F 34a_100000057874_100020667443 [0,2,0,0,0,0|1,0,1]=4 14393 B14R1.4920 Cc1cccc(c1CSCC(=O)N)Br 62a_100000747473_100010146847 [0,2,0,0,0,0|2,0,0]=4 14394 B14R1.4920 Cc1cccc(c1CSCC(=O)N)Br 62a_100010146847_100000747473 [0,2,0,0,0,0|2,0,0]=4 14395 B14R1.4920 Cc1cccc(c1CSCC(=O)N)C 62a_100000747473_100000758300 [0,2,0,0,0,0|2,0,0]=4 14396 B14R1.4920 Cc1cccc(c1CSCC(=O)N)C 62a_100000758300_100000747473 [0,2,0,0,0,0|2,0,0]=4 14397 B14R1.4920 Cc1cccc(c1CSCC(=O)N)F 62a_100000747473_100009814554 [0,2,0,0,0,0|2,0,0]=4 14398 B14R1.4920 Cc1cccc(c1CSCC(=O)N)F 62a_100009814554_100000747473 [0,2,0,0,0,0|2,0,0]=4 14399 B14R1.4920 Cc1cccc(c1CSCC(=O)N)I 62a_100000747473_100010150146 [0,2,0,0,0,0|2,0,0]=4 14400 B14R1.4920 Cc1cccc(c1CSCC(=O)N)I 62a_100010150146_100000747473 [0,2,0,0,0,0|2,0,0]=4 14401 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])Br 62a_100010146847_100020667443 [0,2,0,0,0,0|1,0,1]=4 14402 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])Br 62a_100020667443_100010146847 [0,2,0,0,0,0|1,0,1]=4 14403 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])C 62a_100000758300_100020667443 [0,2,0,0,0,0|1,0,1]=4 14404 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])C 62a_100020667443_100000758300 [0,2,0,0,0,0|1,0,1]=4 14405 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])F 62a_100009814554_100020667443 [0,2,0,0,0,0|1,0,1]=4 14406 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])F 62a_100020667443_100009814554 [0,2,0,0,0,0|1,0,1]=4 14407 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])I 62a_100010150146_100020667443 [0,2,0,0,0,0|1,0,1]=4 14408 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])I 62a_100020667443_100010150146 [0,2,0,0,0,0|1,0,1]=4 14409 B14R1.4920 Cc1cccc(c1NCCC(=O)N)Br 34a_100011834072_100000731001 [0,2,0,0,0,0|2,0,0]=4 14410 B14R1.4920 Cc1cccc(c1NCCC(=O)N)C 34a_100000185769_100000731001 [0,2,0,0,0,0|2,0,0]=4 14411 B14R1.4920 Cc1cccc(c1NCCC(=O)N)Cl 34a_100000756524_100000731001 [0,2,0,0,0,0|2,0,0]=4 14412 B14R1.4920 Cc1cccc(c1NCCC(=O)N)F 34a_100000766463_100000731001 [0,2,0,0,0,0|2,0,0]=4 14413 B14R1.4920 Cc1cccc(c1NCCC(=O)N)O 34a_100000743429_100000731001 [0,2,0,0,0,0|2,0,0]=4 14414 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Br 34a_100009817157_100000731001 [0,2,0,0,0,0|2,0,0]=4 14415 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Br 7a_100009817157_100000744528 [0,2,0,0,0,0|2,0,0]=4 14416 B14R1.4920 Cc1cccc(c1OCCC(=O)N)C 34a_100000210341_100000731001 [0,2,0,0,0,0|2,0,0]=4 14417 B14R1.4920 Cc1cccc(c1OCCC(=O)N)C 7a_100000210341_100000744528 [0,2,0,0,0,0|2,0,0]=4 14418 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Cl 34a_100000033731_100000731001 [0,2,0,0,0,0|2,0,0]=4 14419 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Cl 7a_100000033731_100000744528 [0,2,0,0,0,0|2,0,0]=4 14420 B14R1.4920 Cc1cccc(c1OCCC(=O)N)F 34a_100011659162_100000731001 [0,2,0,0,0,0|2,0,0]=4 14421 B14R1.4920 Cc1cccc(c1OCCC(=O)N)F 7a_100011659162_100000744528 [0,2,0,0,0,0|2,0,0]=4 14422 B14R1.4920 Cc1cccc(c1OCCC(=O)N)N 34a_100000756359_100000731001 [0,2,0,0,0,0|2,0,0]=4 14423 B14R1.4920 Cc1cccc(c1OCCC(=O)N)N 7a_100000756359_100000744528 [0,2,0,0,0,0|2,0,0]=4 14424 B14R1.4920 Cc1cccc(c1OCCC(=O)[13CH3])C 1458a_200000738035_200025704644 [0,2,0,0,0,0|2,0,0]=4 14425 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Br 62a_100000744528_100010141302 [0,2,0,0,0,0|2,0,0]=4 14426 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Br 62a_100010141302_100000744528 [0,2,0,0,0,0|2,0,0]=4 14427 B14R1.4920 Cc1cccc(c1SCCC(=O)N)C 62a_100000033847_100000744528 [0,2,0,0,0,0|2,0,0]=4 14428 B14R1.4920 Cc1cccc(c1SCCC(=O)N)C 62a_100000744528_100000033847 [0,2,0,0,0,0|2,0,0]=4 14429 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Cl 62a_100000043165_100000744528 [0,2,0,0,0,0|2,0,0]=4 14430 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Cl 62a_100000744528_100000043165 [0,2,0,0,0,0|2,0,0]=4 14431 B14R1.4920 Cc1cccc(c1SCCC(=O)N)F 62a_100000744528_100011218421 [0,2,0,0,0,0|2,0,0]=4 14432 B14R1.4920 Cc1cccc(c1SCCC(=O)N)F 62a_100011218421_100000744528 [0,2,0,0,0,0|2,0,0]=4 14433 B14R1.4920 Cc1cccc(c1SCCC(=O)N)N 62a_100000684715_100000744528 [0,2,0,0,0,0|2,0,0]=4 14434 B14R1.4920 Cc1cccc(c1SCCC(=O)N)N 62a_100000744528_100000684715 [0,2,0,0,0,0|2,0,0]=4 14435 B14R1.4920 Cc1cccc(c1SCCC(=O)N)O 62a_100000686692_100000744528 [0,2,0,0,0,0|2,0,0]=4 14436 B14R1.4920 Cc1cccc(c1SCCC(=O)N)O 62a_100000744528_100000686692 [0,2,0,0,0,0|2,0,0]=4 14437 B14R1.4920 NC(=O)CCNc1c(cccc1Br)Br 34a_100000690995_100000731001 [0,2,0,0,0,0|2,0,0]=4 14438 B14R1.4920 NC(=O)CCNc1c(cccc1Br)Cl 34a_100102946385_100000731001 [0,2,0,0,0,0|2,0,0]=4 14439 B14R1.4920 NC(=O)CCNc1c(cccc1Br)F 34a_100000684712_100000731001 [0,2,0,0,0,0|2,0,0]=4 14440 B14R1.4920 NC(=O)CCNc1c(cccc1Br)O 34a_100011934926_100000731001 [0,2,0,0,0,0|2,0,0]=4 14441 B14R1.4920 NC(=O)CCNc1c(cccc1Cl)Cl 34a_100000210028_100000731001 [0,2,0,0,0,0|2,0,0]=4 14442 B14R1.4920 NC(=O)CCNc1c(cccc1Cl)F 34a_100000760031_100000731001 [0,2,0,0,0,0|2,0,0]=4 14443 B14R1.4920 NC(=O)CCNc1c(cccc1Cl)O 34a_100012022510_100000731001 [0,2,0,0,0,0|2,0,0]=4 14444 B14R1.4920 NC(=O)CCNc1c(cccc1F)F 2230a_100000210704_100000744528 [0,2,0,0,0,0|2,0,0]=4 14445 B14R1.4920 NC(=O)CCNc1c(cccc1F)F 34a_100000210704_100000731001 [0,2,0,0,0,0|2,0,0]=4 14446 B14R1.4920 NC(=O)CCNc1c(cccc1F)O 34a_100020591140_100000731001 [0,2,0,0,0,0|2,0,0]=4 14447 B14R1.4920 NC(=O)CCNc1c(cccc1I)F 34a_100000042321_100000731001 [0,2,0,0,0,0|2,0,0]=4 14448 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Br 34a_100000736428_100000731001 [0,2,0,0,0,0|2,0,0]=4 14449 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000744528 [0,2,0,0,0,0|2,0,0]=4 14450 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Cl 34a_100010214474_100000731001 [0,2,0,0,0,0|2,0,0]=4 14451 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000744528 [0,2,0,0,0,0|2,0,0]=4 14452 B14R1.4920 NC(=O)CCOc1c(cccc1Br)F 34a_100009813666_100000731001 [0,2,0,0,0,0|2,0,0]=4 14453 B14R1.4920 NC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000744528 [0,2,0,0,0,0|2,0,0]=4 14454 B14R1.4920 NC(=O)CCOc1c(cccc1Br)N 34a_100011934915_100000731001 [0,2,0,0,0,0|2,0,0]=4 14455 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)Cl 34a_100000211709_100000731001 [0,2,0,0,0,0|2,0,0]=4 14456 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000744528 [0,2,0,0,0,0|2,0,0]=4 14457 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)F 34a_100000694953_100000731001 [0,2,0,0,0,0|2,0,0]=4 14458 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000744528 [0,2,0,0,0,0|2,0,0]=4 14459 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)N 34a_100000754742_100000731001 [0,2,0,0,0,0|2,0,0]=4 14460 B14R1.4920 NC(=O)CCOc1c(cccc1F)F 34a_100000230165_100000731001 [0,2,0,0,0,0|2,0,0]=4 14461 B14R1.4920 NC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000744528 [0,2,0,0,0,0|2,0,0]=4 14462 B14R1.4920 NC(=O)CCOc1c(cccc1F)N 34a_100011934987_100000731001 [0,2,0,0,0,0|2,0,0]=4 14463 B14R1.4920 NC(=O)CCOc1c(cccc1I)Br 34a_100010084509_100000731001 [0,2,0,0,0,0|2,0,0]=4 14464 B14R1.4920 NC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000744528 [0,2,0,0,0,0|2,0,0]=4 14465 B14R1.4920 NC(=O)CCOc1c(cccc1I)Cl 34a_100010202889_100000731001 [0,2,0,0,0,0|2,0,0]=4 14466 B14R1.4920 NC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000744528 [0,2,0,0,0,0|2,0,0]=4 14467 B14R1.4920 NC(=O)CCOc1c(cccc1I)F 34a_100010186298_100000731001 [0,2,0,0,0,0|2,0,0]=4 14468 B14R1.4920 NC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000744528 [0,2,0,0,0,0|2,0,0]=4 14469 B14R1.4920 NC(=O)CCOc1c(cccc1I)N 34a_100010084371_100000731001 [0,2,0,0,0,0|2,0,0]=4 14470 B14R1.4920 NC(=O)CCOc1c(cccc1N)N 34a_200016994477_100000731001 [0,2,0,0,0,0|2,0,0]=4 14471 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Br 62a_100000744528_100009994525 [0,2,0,0,0,0|2,0,0]=4 14472 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Br 62a_100009994525_100000744528 [0,2,0,0,0,0|2,0,0]=4 14473 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Cl 62a_100000744528_100010214488 [0,2,0,0,0,0|2,0,0]=4 14474 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Cl 62a_100010214488_100000744528 [0,2,0,0,0,0|2,0,0]=4 14475 B14R1.4920 NC(=O)CCSc1c(cccc1Br)F 62a_100000744528_100011219512 [0,2,0,0,0,0|2,0,0]=4 14476 B14R1.4920 NC(=O)CCSc1c(cccc1Br)F 62a_100011219512_100000744528 [0,2,0,0,0,0|2,0,0]=4 14477 B14R1.4920 NC(=O)CCSc1c(cccc1Br)N 62a_100000744528_100020590159 [0,2,0,0,0,0|2,0,0]=4 14478 B14R1.4920 NC(=O)CCSc1c(cccc1Br)N 62a_100020590159_100000744528 [0,2,0,0,0,0|2,0,0]=4 14479 B14R1.4920 NC(=O)CCSc1c(cccc1Br)O 62a_100000744528_100010187912 [0,2,0,0,0,0|2,0,0]=4 14480 B14R1.4920 NC(=O)CCSc1c(cccc1Br)O 62a_100010187912_100000744528 [0,2,0,0,0,0|2,0,0]=4 14481 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)Cl 62a_100000034237_100000744528 [0,2,0,0,0,0|2,0,0]=4 14482 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)Cl 62a_100000744528_100000034237 [0,2,0,0,0,0|2,0,0]=4 14483 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)F 62a_100000050007_100000744528 [0,2,0,0,0,0|2,0,0]=4 14484 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)F 62a_100000744528_100000050007 [0,2,0,0,0,0|2,0,0]=4 14485 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)N 62a_100000049713_100000744528 [0,2,0,0,0,0|2,0,0]=4 14486 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)N 62a_100000744528_100000049713 [0,2,0,0,0,0|2,0,0]=4 14487 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)O 62a_100000744528_100000050174 [0,2,0,0,0,0|2,0,0]=4 14488 B14R1.4920 NC(=O)CCSc1c(cccc1F)F 62a_100000693133_100000744528 [0,2,0,0,0,0|2,0,0]=4 14489 B14R1.4920 NC(=O)CCSc1c(cccc1F)F 62a_100000744528_100000693133 [0,2,0,0,0,0|2,0,0]=4 14490 B14R1.4920 NC(=O)CCSc1c(cccc1F)N 62a_100000690935_100000744528 [0,2,0,0,0,0|2,0,0]=4 14491 B14R1.4920 NC(=O)CCSc1c(cccc1F)N 62a_100000744528_100000690935 [0,2,0,0,0,0|2,0,0]=4 14492 B14R1.4920 NC(=O)CCSc1c(cccc1F)O 62a_100000744528_100009820682 [0,2,0,0,0,0|2,0,0]=4 14493 B14R1.4920 NC(=O)CCSc1c(cccc1F)O 62a_100009820682_100000744528 [0,2,0,0,0,0|2,0,0]=4 14494 B14R1.4920 NC(=O)CCSc1c(cccc1O)N 62a_100000744528_100012183704 [0,2,0,0,0,0|2,0,0]=4 14495 B14R1.4920 NC(=O)CCSc1c(cccc1O)N 62a_100012183704_100000744528 [0,2,0,0,0,0|2,0,0]=4 14496 B14R1.4920 NC(=O)CCSc1c(cccc1O)O 62a_100000744528_100010205330 [0,2,0,0,0,0|2,0,0]=4 14497 B14R1.4920 NC(=O)CNCc1c(cccc1Br)Cl 2230a_100000711301_100010138402 [0,2,0,0,0,0|2,0,0]=4 14498 B14R1.4920 NC(=O)CNCc1c(cccc1Br)F 2230a_100000711301_100012145669 [0,2,0,0,0,0|2,0,0]=4 14499 B14R1.4920 NC(=O)CNCc1c(cccc1Br)F 34a_100012349121_100000187820 [0,2,0,0,0,0|2,0,0]=4 14500 B14R1.4920 NC(=O)CNCc1c(cccc1Cl)Cl 2230a_100000174884_100000747473 [0,2,0,0,0,0|2,0,0]=4 14501 B14R1.4920 NC(=O)CNCc1c(cccc1Cl)Cl 2230a_100000711301_100000187851 [0,2,0,0,0,0|2,0,0]=4 14502 B14R1.4920 NC(=O)CNCc1c(cccc1Cl)Cl 34a_100000174884_100000187820 [0,2,0,0,0,0|2,0,0]=4 14503 B14R1.4920 NC(=O)CNCc1c(cccc1Cl)F 2230a_100000711301_100000187852 [0,2,0,0,0,0|2,0,0]=4 14504 B14R1.4920 NC(=O)CNCc1c(cccc1Cl)F 34a_100000174883_100000187820 [0,2,0,0,0,0|2,0,0]=4 14505 B14R1.4920 NC(=O)CNCc1c(cccc1F)F 2230a_100000711301_100000698325 [0,2,0,0,0,0|2,0,0]=4 14506 B14R1.4920 NC(=O)CNCc1c(cccc1F)F 34a_100000688400_100000187820 [0,2,0,0,0,0|2,0,0]=4 14507 B14R1.4920 NC(=O)CNCc1c(cccc1I)Br 2230a_100000711301_100010146611 [0,2,0,0,0,0|2,0,0]=4 14508 B14R1.4920 NC(=O)CNCc1c(cccc1I)F 2230a_100000711301_100010149602 [0,2,0,0,0,0|2,0,0]=4 14509 B14R1.4920 NC(=O)COCc1c(cccc1Br)Br 34a_100010172814_100000187820 [0,2,0,0,0,0|2,0,0]=4 14510 B14R1.4920 NC(=O)COCc1c(cccc1Br)Br 7a_100010172814_100000187820 [0,2,0,0,0,0|2,0,0]=4 14511 B14R1.4920 NC(=O)COCc1c(cccc1Br)F 34a_100012355691_100000187820 [0,2,0,0,0,0|2,0,0]=4 14512 B14R1.4920 NC(=O)COCc1c(cccc1Br)F 7a_100012355691_100000187820 [0,2,0,0,0,0|2,0,0]=4 14513 B14R1.4920 NC(=O)COCc1c(cccc1Br)N 34a_100000747656_100000187820 [0,2,0,0,0,0|2,0,0]=4 14514 B14R1.4920 NC(=O)COCc1c(cccc1Cl)Cl 34a_100000215722_100000187820 [0,2,0,0,0,0|2,0,0]=4 14515 B14R1.4920 NC(=O)COCc1c(cccc1Cl)Cl 7a_100000215722_100000187820 [0,2,0,0,0,0|2,0,0]=4 14516 B14R1.4920 NC(=O)COCc1c(cccc1Cl)F 34a_100000215723_100000187820 [0,2,0,0,0,0|2,0,0]=4 14517 B14R1.4920 NC(=O)COCc1c(cccc1Cl)F 7a_100000215723_100000187820 [0,2,0,0,0,0|2,0,0]=4 14518 B14R1.4920 NC(=O)COCc1c(cccc1Cl)N 34a_100011916388_100000187820 [0,2,0,0,0,0|2,0,0]=4 14519 B14R1.4920 NC(=O)COCc1c(cccc1F)F 34a_100000698215_100000187820 [0,2,0,0,0,0|2,0,0]=4 14520 B14R1.4920 NC(=O)COCc1c(cccc1F)F 7a_100000698215_100000187820 [0,2,0,0,0,0|2,0,0]=4 14521 B14R1.4920 NC(=O)COCc1c(cccc1F)N 34a_100011846719_100000187820 [0,2,0,0,0,0|2,0,0]=4 14522 B14R1.4920 NC(=O)COCc1c(cccc1I)F 34a_100010214973_100000187820 [0,2,0,0,0,0|2,0,0]=4 14523 B14R1.4920 NC(=O)COCc1c(cccc1I)F 7a_100010214973_100000187820 [0,2,0,0,0,0|2,0,0]=4 14524 B14R1.4920 NC(=O)CSCc1c(cccc1Br)Cl 62a_100000747473_100010138402 [0,2,0,0,0,0|2,0,0]=4 14525 B14R1.4920 NC(=O)CSCc1c(cccc1Br)Cl 62a_100010138402_100000747473 [0,2,0,0,0,0|2,0,0]=4 14526 B14R1.4920 NC(=O)CSCc1c(cccc1Br)F 62a_100000747473_100012145669 [0,2,0,0,0,0|2,0,0]=4 14527 B14R1.4920 NC(=O)CSCc1c(cccc1Br)F 62a_100012145669_100000747473 [0,2,0,0,0,0|2,0,0]=4 14528 B14R1.4920 NC(=O)CSCc1c(cccc1Cl)Cl 62a_100000187851_100000747473 [0,2,0,0,0,0|2,0,0]=4 14529 B14R1.4920 NC(=O)CSCc1c(cccc1Cl)Cl 62a_100000747473_100000187851 [0,2,0,0,0,0|2,0,0]=4 14530 B14R1.4920 NC(=O)CSCc1c(cccc1Cl)F 62a_100000187852_100000747473 [0,2,0,0,0,0|2,0,0]=4 14531 B14R1.4920 NC(=O)CSCc1c(cccc1Cl)F 62a_100000747473_100000187852 [0,2,0,0,0,0|2,0,0]=4 14532 B14R1.4920 NC(=O)CSCc1c(cccc1F)F 62a_100000709179_100000747473 [0,2,0,0,0,0|2,0,0]=4 14533 B14R1.4920 NC(=O)CSCc1c(cccc1F)F 62a_100000747473_100000698325 [0,2,0,0,0,0|2,0,0]=4 14534 B14R1.4920 NC(=O)CSCc1c(cccc1I)Br 62a_100000747473_100010146611 [0,2,0,0,0,0|2,0,0]=4 14535 B14R1.4920 NC(=O)CSCc1c(cccc1I)Br 62a_100010146611_100000747473 [0,2,0,0,0,0|2,0,0]=4 14536 B14R1.4920 NC(=O)CSCc1c(cccc1I)F 62a_100000747473_100010149602 [0,2,0,0,0,0|2,0,0]=4 14537 B14R1.4920 NC(=O)CSCc1c(cccc1I)F 62a_100010149602_100000747473 [0,2,0,0,0,0|2,0,0]=4 14538 B14R1.4920 Nc1cccc(c1COCC(=O)[O-])Br 34a_100000747656_100020667443 [0,2,0,0,0,0|1,0,1]=4 14539 B14R1.4920 Nc1cccc(c1COCC(=O)[O-])Cl 34a_100011916388_100020667443 [0,2,0,0,0,0|1,0,1]=4 14540 B14R1.4920 Nc1cccc(c1COCC(=O)[O-])F 34a_100011846719_100020667443 [0,2,0,0,0,0|1,0,1]=4 14541 B14R1.4920 O=C(O)CNCc1c(cccc1Br)Cl 269956a_100016091260_100010138402 [0,2,0,0,0,0|1,0,0]=3 14542 B14R1.4920 O=C(O)CNCc1c(cccc1Br)F 269956a_100016091260_100012145669 [0,2,0,0,0,0|1,0,0]=3 14543 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)Cl 269956a_100016091260_100000187851 [0,2,0,0,0,0|1,0,0]=3 14544 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)F 269956a_100016091260_100000187852 [0,2,0,0,0,0|1,0,0]=3 14545 B14R1.4920 O=C(O)CNCc1c(cccc1F)F 269956a_100016091260_100000709179 [0,2,0,0,0,0|1,0,0]=3 14546 B14R1.4920 O=C(O)CNCc1c(cccc1I)Br 269956a_100016091260_100010146611 [0,2,0,0,0,0|1,0,0]=3 14547 B14R1.4920 O=C(O)CNCc1c(cccc1I)F 269956a_100016091260_100010149602 [0,2,0,0,0,0|1,0,0]=3 14548 B14R1.4920 O=C(O)CNCc1c(cncc1Cl)Cl 269956a_100016091260_200009872113 [0,2,0,0,0,0|2,0,0]=4 14549 B14R1.4920 O=C([O-])CNCc1c(cccc1Br)F 34a_100012349121_100020667443 [0,2,0,0,0,0|1,0,1]=4 14550 B14R1.4920 O=C([O-])CNCc1c(cccc1Cl)Cl 34a_100000174884_100020667443 [0,2,0,0,0,0|1,0,1]=4 14551 B14R1.4920 O=C([O-])CNCc1c(cccc1Cl)F 34a_100000174883_100020667443 [0,2,0,0,0,0|1,0,1]=4 14552 B14R1.4920 O=C([O-])CNCc1c(cccc1F)F 34a_100000688400_100020667443 [0,2,0,0,0,0|1,0,1]=4 14553 B14R1.4920 O=C([O-])COCc1c(cccc1Br)Br 34a_100010172814_100020667443 [0,2,0,0,0,0|1,0,1]=4 14554 B14R1.4920 O=C([O-])COCc1c(cccc1Br)F 34a_100012355691_100020667443 [0,2,0,0,0,0|1,0,1]=4 14555 B14R1.4920 O=C([O-])COCc1c(cccc1Cl)Cl 34a_100000215722_100020667443 [0,2,0,0,0,0|1,0,1]=4 14556 B14R1.4920 O=C([O-])COCc1c(cccc1Cl)F 34a_100000215723_100020667443 [0,2,0,0,0,0|1,0,1]=4 14557 B14R1.4920 O=C([O-])COCc1c(cccc1F)F 34a_100000698215_100020667443 [0,2,0,0,0,0|1,0,1]=4 14558 B14R1.4920 O=C([O-])COCc1c(cccc1I)F 34a_100010214973_100020667443 [0,2,0,0,0,0|1,0,1]=4 14559 B14R1.4920 O=C([O-])CSCc1c(cccc1Br)Cl 62a_100010138402_100020667443 [0,2,0,0,0,0|1,0,1]=4 14560 B14R1.4920 O=C([O-])CSCc1c(cccc1Br)Cl 62a_100020667443_100010138402 [0,2,0,0,0,0|1,0,1]=4 14561 B14R1.4920 O=C([O-])CSCc1c(cccc1Br)F 62a_100012145669_100020667443 [0,2,0,0,0,0|1,0,1]=4 14562 B14R1.4920 O=C([O-])CSCc1c(cccc1Br)F 62a_100020667443_100012145669 [0,2,0,0,0,0|1,0,1]=4 14563 B14R1.4920 O=C([O-])CSCc1c(cccc1Cl)Cl 62a_100000187851_100020667443 [0,2,0,0,0,0|1,0,1]=4 14564 B14R1.4920 O=C([O-])CSCc1c(cccc1Cl)Cl 62a_100020667443_100000187851 [0,2,0,0,0,0|1,0,1]=4 14565 B14R1.4920 O=C([O-])CSCc1c(cccc1Cl)F 62a_100000187852_100020667443 [0,2,0,0,0,0|1,0,1]=4 14566 B14R1.4920 O=C([O-])CSCc1c(cccc1Cl)F 62a_100020667443_100000187852 [0,2,0,0,0,0|1,0,1]=4 14567 B14R1.4920 O=C([O-])CSCc1c(cccc1F)F 62a_100000709179_100020667443 [0,2,0,0,0,0|1,0,1]=4 14568 B14R1.4920 O=C([O-])CSCc1c(cccc1F)F 62a_100020667443_100000698325 [0,2,0,0,0,0|1,0,1]=4 14569 B14R1.4920 O=C([O-])CSCc1c(cccc1I)Br 62a_100010146611_100020667443 [0,2,0,0,0,0|1,0,1]=4 14570 B14R1.4920 O=C([O-])CSCc1c(cccc1I)Br 62a_100020667443_100010146611 [0,2,0,0,0,0|1,0,1]=4 14571 B14R1.4920 O=C([O-])CSCc1c(cccc1I)F 62a_100010149602_100020667443 [0,2,0,0,0,0|1,0,1]=4 14572 B14R1.4920 O=C([O-])CSCc1c(cccc1I)F 62a_100020667443_100010149602 [0,2,0,0,0,0|1,0,1]=4 14573 B14R1.4920 [13CH3]C(=O)CSCc1c(cccc1Cl)Cl 1458a_100000150275_200025704644 [0,2,0,0,0,0|2,0,0]=4 14574 B14R1.4920 [13CH3]C(=O)CSCc1c(cccc1Cl)F 1458a_100000150273_200025704644 [0,2,0,0,0,0|2,0,0]=4 14575 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 1458a_100000757622_200000210301 [0,2,0,0,0,0|2,0,0]=4 14576 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 2230a_100000186898_100009814033 [0,2,0,0,0,0|2,0,0]=4 14577 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 269982a_100000186898_100009814033 [0,2,0,0,0,0|2,0,0]=4 14578 B14R1.425 CC(C(=O)N)N(C)Cc1ccccc1 2230a_100000186898_100000702099 [0,2,0,0,0,0|2,0,0]=4 14579 B14R1.425 CC(C(=O)N)N(C)Cc1ccccc1 269982a_100000186898_100000184083 [0,2,0,0,0,0|2,0,0]=4 14580 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,2,0,0,0,0|1,0,0]=3 14581 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,2,0,0,0,0|1,0,0]=3 14582 B14R1.425 CC(C(=O)O)N(C)Cc1ccccn1 269956a_100000749554_100000721315 [0,2,0,0,0,0|2,0,0]=4 14583 B14R1.425 CC(C(=O)O)N(C)Cc1cccnc1 269956a_100000749554_100000733263 [0,2,0,0,0,0|2,0,0]=4 14584 B14R1.425 CC(C(=O)O)N(C)Cc1ccncc1 269956a_100000749554_100015193705 [0,2,0,0,0,0|2,0,0]=4 14585 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,2,0,0,0,0|1,0,0]=3 14586 B14R1.425 CC(C(=O)[13CH3])N(C)Cc1ccccc1 1458a_100000757622_200025704644 [0,2,0,0,0,0|2,0,0]=4 14587 B14R1.425 CN(Cc1ccccc1)C(F)C(=O)N 2230a_100000186898_100009813875 [0,2,0,0,0,0|2,0,0]=4 14588 B14R1.425 CN(Cc1ccccc1)C(F)C(=O)N 269982a_100000186898_100009813875 [0,2,0,0,0,0|2,0,0]=4 14589 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 11a_100000746547_100015343762 [0,2,0,0,0,0|2,0,0]=4 14590 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 1626a_100000746547_100015343762 [0,2,0,0,0,0|2,0,0]=4 14591 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 240690a_100000746547_100015343762 [0,2,0,0,0,0|2,0,0]=4 14592 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 527a_100000746547_100103153847 [0,2,0,0,0,0|2,0,0]=4 14593 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [0,2,0,0,0,0|2,0,0]=4 14594 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [0,2,0,0,0,0|2,0,0]=4 14595 B14R1.549 CCN(CC(=O)N)Cc1ccccc1 2230a_100000186914_100000747473 [0,2,0,0,0,0|2,0,0]=4 14596 B14R1.549 CCN(CC(=O)N)Cc1ccccc1 269982a_100000186914_100000187820 [0,2,0,0,0,0|2,0,0]=4 14597 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [0,2,0,0,0,0|1,0,0]=3 14598 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [0,2,0,0,0,0|1,0,0]=3 14599 B14R1.549 CCN(CC(=O)O)Cc1ccccn1 269956a_100000746405_100000721315 [0,2,0,0,0,0|2,0,0]=4 14600 B14R1.549 CCN(CC(=O)O)Cc1cccnc1 269956a_100000746405_100000733263 [0,2,0,0,0,0|2,0,0]=4 14601 B14R1.549 CCN(CC(=O)O)Cc1ccncc1 269956a_100000746405_100015193705 [0,2,0,0,0,0|2,0,0]=4 14602 B14R1.549 CCN(CC(=O)[O-])Cc1ccccc1 269982a_100000186914_100020667443 [0,2,0,0,0,0|1,0,1]=4 14603 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,2,0,0,0,0|0,0,0]=2 14604 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [0,2,0,0,0,0|1,0,0]=3 14605 B14R1.549 O=C([O-])CN(CO)Cc1ccccc1 269956a_100016989150_100015291786 [0,2,0,0,0,0|1,0,1]=4 14606 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,2,0,0,0,0|0,0,0]=2 14607 B14R1.698 CC(=O)CC(C)Oc1ccc(cc1)F 1458a_100000070787_100010228477 [0,2,0,0,0,0|2,0,0]=4 14608 B14R1.698 CC(=O)CC(C)Sc1ccc(cc1)Cl 1458a_100011219718_200000210301 [0,2,0,0,0,0|2,0,0]=4 14609 B14R1.698 CC(=O)CN(C)Cc1ccc(cc1)C 1458a_100015185648_200000210301 [0,2,0,0,0,0|2,0,0]=4 14610 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [0,2,0,0,0,0|2,0,0]=4 14611 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [0,2,0,0,0,0|2,0,0]=4 14612 B14R1.698 CC(CC(=O)[13CH3])Sc1ccc(cc1)Cl 1458a_100011219718_200025704644 [0,2,0,0,0,0|2,0,0]=4 14613 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 2230a_100000180866_100000747473 [0,2,0,0,0,0|2,0,0]=4 14614 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 2230a_100000739694_100011217064 [0,2,0,0,0,0|2,0,0]=4 14615 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 269982a_100000180866_100000187820 [0,2,0,0,0,0|2,0,0]=4 14616 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 270004a_100000739694_100000186029 [0,2,0,0,0,0|2,0,0]=4 14617 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000184517_100000747473 [0,2,0,0,0,0|2,0,0]=4 14618 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000739694_100000694040 [0,2,0,0,0,0|2,0,0]=4 14619 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 269982a_100000184517_100000187820 [0,2,0,0,0,0|2,0,0]=4 14620 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 270004a_100000739694_100000189385 [0,2,0,0,0,0|2,0,0]=4 14621 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 34a_100000184517_100000187820 [0,2,0,0,0,0|2,0,0]=4 14622 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 2230a_100000184576_100000747473 [0,2,0,0,0,0|2,0,0]=4 14623 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 2230a_100000739694_100000198546 [0,2,0,0,0,0|2,0,0]=4 14624 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 269982a_100000184576_100000187820 [0,2,0,0,0,0|2,0,0]=4 14625 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 270004a_100000739694_100000210084 [0,2,0,0,0,0|2,0,0]=4 14626 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 34a_100000184576_100000187820 [0,2,0,0,0,0|2,0,0]=4 14627 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)I 2230a_100000739694_100000189116 [0,2,0,0,0,0|2,0,0]=4 14628 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)O 2230a_100000207500_100000747473 [0,2,0,0,0,0|2,0,0]=4 14629 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)O 269982a_100000207500_100000187820 [0,2,0,0,0,0|2,0,0]=4 14630 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [0,2,0,0,0,0|1,0,0]=3 14631 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [0,2,0,0,0,0|1,0,0]=3 14632 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [0,2,0,0,0,0|1,0,0]=3 14633 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [0,2,0,0,0,0|1,0,0]=3 14634 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [0,2,0,0,0,0|1,0,0]=3 14635 B14R1.698 CN(CC(=O)O)Cc1ccc(cn1)Br 269956a_100000746989_100000702658 [0,2,0,0,0,0|2,0,0]=4 14636 B14R1.698 CN(CC(=O)O)Cc1ccc(cn1)Cl 269956a_100000746989_100012066911 [0,2,0,0,0,0|2,0,0]=4 14637 B14R1.698 CN(CC(=O)O)Cc1ccc(cn1)F 269956a_100000746989_100000703193 [0,2,0,0,0,0|2,0,0]=4 14638 B14R1.698 CN(CC(=O)O)Cc1ccc(nc1)Br 269956a_100000746989_100009831999 [0,2,0,0,0,0|2,0,0]=4 14639 B14R1.698 CN(CC(=O)O)Cc1ccc(nc1)Cl 269956a_100000746989_100000735431 [0,2,0,0,0,0|2,0,0]=4 14640 B14R1.698 CN(CC(=O)O)Cc1ccc(nc1)F 269956a_100000746989_100009820150 [0,2,0,0,0,0|2,0,0]=4 14641 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Br 269982a_100000180866_100020667443 [0,2,0,0,0,0|1,0,1]=4 14642 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Cl 269982a_100000184517_100020667443 [0,2,0,0,0,0|1,0,1]=4 14643 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Cl 34a_100000184517_100020667443 [0,2,0,0,0,0|1,0,1]=4 14644 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)F 269982a_100000184576_100020667443 [0,2,0,0,0,0|1,0,1]=4 14645 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)F 34a_100000184576_100020667443 [0,2,0,0,0,0|1,0,1]=4 14646 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)O 269982a_100000207500_100020667443 [0,2,0,0,0,0|1,0,1]=4 14647 B14R1.698 Cc1ccc(cc1)CC(=O)CC(=O)N 1458a_100000212244_100000187820 [0,2,0,0,0,0|1,0,1]=4 14648 B14R1.698 Cc1ccc(cc1)CC(=O)CC(=O)N 1458a_100134613110_100000210814 [0,2,0,0,0,0|1,0,1]=4 14649 B14R1.698 Cc1ccc(cc1)CC(=O)CC(=O)[O-] 1458a_100000212244_100020667443 [0,2,0,0,0,0|0,0,2]=4 14650 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 2230a_100000739694_100000210814 [0,2,0,0,0,0|2,0,0]=4 14651 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 2230a_100000744650_100000747473 [0,2,0,0,0,0|2,0,0]=4 14652 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 269982a_100000744650_100000187820 [0,2,0,0,0,0|2,0,0]=4 14653 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 270004a_100000739694_100000211033 [0,2,0,0,0,0|2,0,0]=4 14654 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 34a_100000744650_100000187820 [0,2,0,0,0,0|2,0,0]=4 14655 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [0,2,0,0,0,0|1,0,0]=3 14656 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[13CH3] 1458a_100015185648_200025704644 [0,2,0,0,0,0|2,0,0]=4 14657 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[O-] 269982a_100000744650_100020667443 [0,2,0,0,0,0|1,0,1]=4 14658 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[O-] 34a_100000744650_100020667443 [0,2,0,0,0,0|1,0,1]=4 14659 B14R1.698 Cc1ccc(cn1)CN(C)CC(=O)O 269956a_100000746989_100016987292 [0,2,0,0,0,0|2,0,0]=4 14660 B14R1.698 Cc1ccc(nc1)CN(C)CC(=O)O 269956a_100000746989_100000691093 [0,2,0,0,0,0|2,0,0]=4 14661 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000187820 [0,2,0,0,0,0|1,0,1]=4 14662 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100134613110_100000189115 [0,2,0,0,0,0|1,0,1]=4 14663 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000187820 [0,2,0,0,0,0|1,0,1]=4 14664 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100134613110_100000694040 [0,2,0,0,0,0|1,0,1]=4 14665 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000187820 [0,2,0,0,0,0|1,0,1]=4 14666 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100134613110_100000198546 [0,2,0,0,0,0|1,0,1]=4 14667 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000187820 [0,2,0,0,0,0|1,0,1]=4 14668 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100134613110_100000189116 [0,2,0,0,0,0|1,0,1]=4 14669 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000187820 [0,2,0,0,0,0|1,0,1]=4 14670 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100020667443 [0,2,0,0,0,0|0,0,2]=4 14671 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100020667443 [0,2,0,0,0,0|0,0,2]=4 14672 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100020667443 [0,2,0,0,0,0|0,0,2]=4 14673 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100020667443 [0,2,0,0,0,0|0,0,2]=4 14674 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100020667443 [0,2,0,0,0,0|0,0,2]=4 14675 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [0,2,0,0,0,0|1,0,0]=3 14676 B14R1.743 C#CC(=O)CC(=O)Cc1ccccc1 1458a_100000211873_100000233483 [0,2,0,0,0,0|1,0,1]=4 14677 B14R1.743 C=CC(=O)CC(=O)Cc1ccccc1 1458a_100000185746_100000233483 [0,2,0,0,0,0|1,0,1]=4 14678 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 240690a_100000238496_100000210174 [0,2,0,0,0,0|2,0,0]=4 14679 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 527a_100000238496_100000210174 [0,2,0,0,0,0|2,0,0]=4 14680 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 240690a_100011207255_100000210174 [0,2,0,0,0,0|2,0,0]=4 14681 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 527a_100011207255_100000210174 [0,2,0,0,0,0|2,0,0]=4 14682 B14R1.743 CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210414_100000233483 [0,2,0,0,0,0|1,0,1]=4 14683 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210202 [0,2,0,0,0,0|2,0,0]=4 14684 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747405 [0,2,0,0,0,0|2,0,0]=4 14685 B14R1.743 CN(CC(=O)CF)Cc1ccccc1 1458a_100000745601_100015361967 [0,2,0,0,0,0|2,0,0]=4 14686 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 11a_106832991635_100000745601 [0,2,0,0,0,0|2,0,0]=4 14687 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000183359 [0,2,0,0,0,0|2,0,0]=4 14688 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 2230a_100000189611_100015291786 [0,2,0,0,0,0|2,0,0]=4 14689 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 240690a_100102657272_100000745601 [0,2,0,0,0,0|2,0,0]=4 14690 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000183359 [0,2,0,0,0,0|2,0,0]=4 14691 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 270004a_100000189611_100015611070 [0,2,0,0,0,0|2,0,0]=4 14692 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 527a_100102657272_100000745601 [0,2,0,0,0,0|2,0,0]=4 14693 B14R1.743 COC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747449 [0,2,0,0,0,0|1,0,1]=4 14694 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [0,2,0,0,0,0|0,0,1]=3 14695 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000211351_100000721315 [0,2,0,0,0,0|1,0,1]=4 14696 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747449 [0,2,0,0,0,0|1,0,1]=4 14697 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000211351_100000733263 [0,2,0,0,0,0|1,0,1]=4 14698 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747449 [0,2,0,0,0,0|1,0,1]=4 14699 B14R1.743 COC(=O)CC(=O)Cc1ccncc1 1458a_100000211351_100000705612 [0,2,0,0,0,0|1,0,1]=4 14700 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000211351 [0,2,0,0,0,0|1,0,1]=4 14701 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [0,2,0,0,0,0|1,0,0]=3 14702 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [0,2,0,0,0,0|1,0,0]=3 14703 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [0,2,0,0,0,0|1,0,0]=3 14704 B14R1.743 COC(=O)CC(C)Oc1cccnc1 34a_100000210849_100009817358 [0,2,0,0,0,0|2,0,0]=4 14705 B14R1.743 COC(=O)CC(C)Oc1cccnc1 7a_100000210849_100009817358 [0,2,0,0,0,0|2,0,0]=4 14706 B14R1.743 COC(=O)CC(C)Oc1ccncc1 34a_100000212176_100009817358 [0,2,0,0,0,0|2,0,0]=4 14707 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [0,2,0,0,0,0|1,0,0]=3 14708 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [0,2,0,0,0,0|1,0,0]=3 14709 B14R1.743 COC(=O)CC(C)Sc1ccccn1 62a_100009817358_100011216584 [0,2,0,0,0,0|2,0,0]=4 14710 B14R1.743 COC(=O)CC(C)Sc1ccccn1 62a_100011216584_100009817358 [0,2,0,0,0,0|2,0,0]=4 14711 B14R1.743 COC(=O)CC(C)Sc1cccnc1 62a_100000210063_100009817358 [0,2,0,0,0,0|2,0,0]=4 14712 B14R1.743 COC(=O)CC(C)Sc1cccnc1 62a_100009817358_100000210063 [0,2,0,0,0,0|2,0,0]=4 14713 B14R1.743 COC(=O)CC(C)Sc1ccncc1 62a_100000728582_100009817358 [0,2,0,0,0,0|2,0,0]=4 14714 B14R1.743 COC(=O)CC(C)Sc1ccncc1 62a_100009817358_100000728582 [0,2,0,0,0,0|2,0,0]=4 14715 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,2,0,0,0,0|1,0,0]=3 14716 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,2,0,0,0,0|1,0,0]=3 14717 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,2,0,0,0,0|1,0,0]=3 14718 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,2,0,0,0,0|1,0,0]=3 14719 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,2,0,0,0,0|1,0,0]=3 14720 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,2,0,0,0,0|1,0,0]=3 14721 B14R1.743 COC(=O)CN(C)Cc1ccccn1 2230a_100000198492_100000721315 [0,2,0,0,0,0|2,0,0]=4 14722 B14R1.743 COC(=O)CN(C)Cc1ccccn1 2230a_100000207498_100000747449 [0,2,0,0,0,0|2,0,0]=4 14723 B14R1.743 COC(=O)CN(C)Cc1ccccn1 269982a_100000207498_100000747449 [0,2,0,0,0,0|2,0,0]=4 14724 B14R1.743 COC(=O)CN(C)Cc1ccccn1 270004a_100000198492_100000209966 [0,2,0,0,0,0|2,0,0]=4 14725 B14R1.743 COC(=O)CN(C)Cc1cccnc1 2230a_100000184577_100000747449 [0,2,0,0,0,0|2,0,0]=4 14726 B14R1.743 COC(=O)CN(C)Cc1cccnc1 2230a_100000198492_100000741622 [0,2,0,0,0,0|2,0,0]=4 14727 B14R1.743 COC(=O)CN(C)Cc1cccnc1 269982a_100000184577_100000747449 [0,2,0,0,0,0|2,0,0]=4 14728 B14R1.743 COC(=O)CN(C)Cc1cccnc1 270004a_100000198492_100000209961 [0,2,0,0,0,0|2,0,0]=4 14729 B14R1.743 COC(=O)CN(C)Cc1ccncc1 2230a_100000187231_100000747449 [0,2,0,0,0,0|2,0,0]=4 14730 B14R1.743 COC(=O)CN(C)Cc1ccncc1 2230a_100000198492_100015193705 [0,2,0,0,0,0|2,0,0]=4 14731 B14R1.743 COC(=O)CN(C)Cc1ccncc1 269982a_100000187231_100000747449 [0,2,0,0,0,0|2,0,0]=4 14732 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,2,0,0,0,0|1,0,0]=3 14733 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,2,0,0,0,0|1,0,0]=3 14734 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [0,2,0,0,0,0|0,0,1]=3 14735 B14R1.743 O=C(CO)CC(=O)Nc1ccccc1 1458a_100000210174_100000182850 [0,2,0,0,0,0|1,0,1]=4 14736 B14R1.743 O=C(CO)CC(=O)Oc1ccccc1 1458a_100000210174_100009813826 [0,2,0,0,0,0|1,0,1]=4 14737 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Br 2230a_100000174875_100009814033 [0,2,0,0,0,0|2,0,0]=4 14738 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)C 2230a_100000174908_100009814033 [0,2,0,0,0,0|2,0,0]=4 14739 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Cl 2230a_100000174871_100009814033 [0,2,0,0,0,0|2,0,0]=4 14740 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)F 2230a_100000174882_100009814033 [0,2,0,0,0,0|2,0,0]=4 14741 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100009814033 [0,2,0,0,0,0|2,0,0]=4 14742 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Br 34a_100000212229_100000189115 [0,2,0,0,0,0|2,0,0]=4 14743 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 34a_100000212229_100000210814 [0,2,0,0,0,0|2,0,0]=4 14744 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 7a_100011215236_100000179758 [0,2,0,0,0,0|2,0,0]=4 14745 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 34a_100000212229_100000694040 [0,2,0,0,0,0|2,0,0]=4 14746 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 7a_100000211118_100000179758 [0,2,0,0,0,0|2,0,0]=4 14747 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 34a_100000212229_100000198546 [0,2,0,0,0,0|2,0,0]=4 14748 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 7a_100000210977_100000179758 [0,2,0,0,0,0|2,0,0]=4 14749 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 34a_100000212229_100000189116 [0,2,0,0,0,0|2,0,0]=4 14750 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000179758 [0,2,0,0,0,0|2,0,0]=4 14751 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100000189115_100009814033 [0,2,0,0,0,0|2,0,0]=4 14752 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100009814033_100000189115 [0,2,0,0,0,0|2,0,0]=4 14753 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100000210814_100009814033 [0,2,0,0,0,0|2,0,0]=4 14754 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100009814033_100000210814 [0,2,0,0,0,0|2,0,0]=4 14755 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 1458a_200000149568_200000210301 [0,2,0,0,0,0|2,0,0]=4 14756 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000187161_100009814033 [0,2,0,0,0,0|2,0,0]=4 14757 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100009814033_100000187161 [0,2,0,0,0,0|2,0,0]=4 14758 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100000198546_100009814033 [0,2,0,0,0,0|2,0,0]=4 14759 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100009814033_100000187164 [0,2,0,0,0,0|2,0,0]=4 14760 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100009814033 [0,2,0,0,0,0|2,0,0]=4 14761 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100009814033_100000189116 [0,2,0,0,0,0|2,0,0]=4 14762 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 11a_100000752880_100015343762 [0,2,0,0,0,0|2,0,0]=4 14763 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 1626a_100000752880_100015343762 [0,2,0,0,0,0|2,0,0]=4 14764 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 240690a_100000752880_100015343762 [0,2,0,0,0,0|2,0,0]=4 14765 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 527a_100000752880_100103153847 [0,2,0,0,0,0|2,0,0]=4 14766 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 11a_100000698262_100015343762 [0,2,0,0,0,0|2,0,0]=4 14767 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 1626a_100000698262_100015343762 [0,2,0,0,0,0|2,0,0]=4 14768 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 240690a_100000698262_100015343762 [0,2,0,0,0,0|2,0,0]=4 14769 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 527a_100000698262_100103153847 [0,2,0,0,0,0|2,0,0]=4 14770 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 11a_100102946585_100015343762 [0,2,0,0,0,0|2,0,0]=4 14771 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 1626a_100102946585_100015343762 [0,2,0,0,0,0|2,0,0]=4 14772 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 240690a_100102946585_100015343762 [0,2,0,0,0,0|2,0,0]=4 14773 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 527a_100102946585_100103153847 [0,2,0,0,0,0|2,0,0]=4 14774 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)O 240690a_100016989440_100015343762 [0,2,0,0,0,0|2,0,0]=4 14775 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 2230a_100000174875_100000702099 [0,2,0,0,0,0|2,0,0]=4 14776 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 34a_100000174875_100000702099 [0,2,0,0,0,0|2,0,0]=4 14777 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 2230a_100000174871_100000702099 [0,2,0,0,0,0|2,0,0]=4 14778 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 34a_100000174871_100000702099 [0,2,0,0,0,0|2,0,0]=4 14779 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 2230a_100000174882_100000702099 [0,2,0,0,0,0|2,0,0]=4 14780 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 34a_100000174882_100000702099 [0,2,0,0,0,0|2,0,0]=4 14781 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 2230a_100016989417_100000702099 [0,2,0,0,0,0|2,0,0]=4 14782 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 34a_100016989417_100000702099 [0,2,0,0,0,0|2,0,0]=4 14783 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)N 34a_100000185549_100000702099 [0,2,0,0,0,0|2,0,0]=4 14784 B14R1.679 CC(OCc1ccc(cc1)Br)C(=O)N 34a_100000695286_100000702099 [0,2,0,0,0,0|2,0,0]=4 14785 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 34a_100000211118_100000702099 [0,2,0,0,0,0|2,0,0]=4 14786 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 7a_100000211118_100000702099 [0,2,0,0,0,0|2,0,0]=4 14787 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 34a_100000210977_100000702099 [0,2,0,0,0,0|2,0,0]=4 14788 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 7a_100000210977_100000702099 [0,2,0,0,0,0|2,0,0]=4 14789 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 34a_100000690907_100000702099 [0,2,0,0,0,0|2,0,0]=4 14790 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 7a_100000690907_100000702099 [0,2,0,0,0,0|2,0,0]=4 14791 B14R1.679 CC(OCc1ccc(cc1)N)C(=O)N 34a_100011215238_100000702099 [0,2,0,0,0,0|2,0,0]=4 14792 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000189115_100000702099 [0,2,0,0,0,0|2,0,0]=4 14793 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000189115 [0,2,0,0,0,0|2,0,0]=4 14794 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000187161_100000702099 [0,2,0,0,0,0|2,0,0]=4 14795 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000187161 [0,2,0,0,0,0|2,0,0]=4 14796 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_200000149568_200025704644 [0,2,0,0,0,0|2,0,0]=4 14797 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000198546_100000702099 [0,2,0,0,0,0|2,0,0]=4 14798 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000702099_100000187164 [0,2,0,0,0,0|2,0,0]=4 14799 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000702099 [0,2,0,0,0,0|2,0,0]=4 14800 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000702099_100000189116 [0,2,0,0,0,0|2,0,0]=4 14801 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 2230a_100000119354_100011217064 [0,2,0,0,0,0|2,0,0]=4 14802 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 270004a_100000119354_100000186029 [0,2,0,0,0,0|2,0,0]=4 14803 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 34a_100000119354_100000189115 [0,2,0,0,0,0|2,0,0]=4 14804 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 2230a_100000119354_100000694040 [0,2,0,0,0,0|2,0,0]=4 14805 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 270004a_100000119354_100000189385 [0,2,0,0,0,0|2,0,0]=4 14806 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 34a_100000119354_100000694040 [0,2,0,0,0,0|2,0,0]=4 14807 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 2230a_100000119354_100000198546 [0,2,0,0,0,0|2,0,0]=4 14808 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 270004a_100000119354_100000210084 [0,2,0,0,0,0|2,0,0]=4 14809 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 34a_100000119354_100000198546 [0,2,0,0,0,0|2,0,0]=4 14810 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 2230a_100000119354_100000189116 [0,2,0,0,0,0|2,0,0]=4 14811 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 34a_100000119354_100000189116 [0,2,0,0,0,0|2,0,0]=4 14812 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 34a_100000731257_100000189115 [0,2,0,0,0,0|2,0,0]=4 14813 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 7a_100000731257_100011217064 [0,2,0,0,0,0|2,0,0]=4 14814 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 34a_100000731257_100000694040 [0,2,0,0,0,0|2,0,0]=4 14815 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 7a_100000731257_100000187161 [0,2,0,0,0,0|2,0,0]=4 14816 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 34a_100000731257_100000198546 [0,2,0,0,0,0|2,0,0]=4 14817 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 7a_100000731257_100000198546 [0,2,0,0,0,0|2,0,0]=4 14818 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 34a_100000731257_100000189116 [0,2,0,0,0,0|2,0,0]=4 14819 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 7a_100000731257_100000189116 [0,2,0,0,0,0|2,0,0]=4 14820 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,2,0,0,0,0|1,0,0]=3 14821 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,2,0,0,0,0|1,0,0]=3 14822 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,2,0,0,0,0|1,0,0]=3 14823 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,2,0,0,0,0|1,0,0]=3 14824 B14R1.679 C[C@H](NCc1ccc(cn1)Br)C(=O)O 269956a_100000743915_100000702658 [0,2,0,0,0,0|2,0,0]=4 14825 B14R1.679 C[C@H](NCc1ccc(cn1)Cl)C(=O)O 269956a_100000743915_100012066911 [0,2,0,0,0,0|2,0,0]=4 14826 B14R1.679 C[C@H](NCc1ccc(cn1)F)C(=O)O 269956a_100000743915_100000703193 [0,2,0,0,0,0|2,0,0]=4 14827 B14R1.679 C[C@H](NCc1ccc(nc1)Br)C(=O)O 269956a_100000743915_100009831999 [0,2,0,0,0,0|2,0,0]=4 14828 B14R1.679 C[C@H](NCc1ccc(nc1)Cl)C(=O)O 269956a_100000743915_100000735431 [0,2,0,0,0,0|2,0,0]=4 14829 B14R1.679 C[C@H](NCc1ccc(nc1)F)C(=O)O 269956a_100000743915_100009820150 [0,2,0,0,0,0|2,0,0]=4 14830 B14R1.679 C[C@H](OCc1ccc(cc1)Br)C(=O)[O-] 7a_217856618621_100011217064 [0,2,0,0,0,0|1,0,1]=4 14831 B14R1.679 C[C@H](OCc1ccc(cc1)Cl)C(=O)[O-] 7a_217856618621_100000187161 [0,2,0,0,0,0|1,0,1]=4 14832 B14R1.679 C[C@H](OCc1ccc(cc1)F)C(=O)[O-] 7a_217856618621_100000198546 [0,2,0,0,0,0|1,0,1]=4 14833 B14R1.679 C[C@H](OCc1ccc(cc1)I)C(=O)[O-] 7a_217856618621_100000189116 [0,2,0,0,0,0|1,0,1]=4 14834 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 2230a_100000174908_100000702099 [0,2,0,0,0,0|2,0,0]=4 14835 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 34a_100000174908_100000702099 [0,2,0,0,0,0|2,0,0]=4 14836 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 2230a_100000174908_100009813875 [0,2,0,0,0,0|2,0,0]=4 14837 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 34a_100000174908_100009813875 [0,2,0,0,0,0|2,0,0]=4 14838 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)[O-] 34a_100000174908_100020610796 [0,2,0,0,0,0|1,0,1]=4 14839 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,2,0,0,0,0|1,0,0]=3 14840 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 2230a_100000119354_100000210814 [0,2,0,0,0,0|2,0,0]=4 14841 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211033 [0,2,0,0,0,0|2,0,0]=4 14842 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 34a_100000119354_100000210814 [0,2,0,0,0,0|2,0,0]=4 14843 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 34a_100011215236_100000702099 [0,2,0,0,0,0|2,0,0]=4 14844 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 7a_100011215236_100000702099 [0,2,0,0,0,0|2,0,0]=4 14845 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 34a_100011215236_100009813875 [0,2,0,0,0,0|2,0,0]=4 14846 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 7a_100011215236_100009813875 [0,2,0,0,0,0|2,0,0]=4 14847 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215236_100020610796 [0,2,0,0,0,0|1,0,1]=4 14848 B14R1.679 Cc1ccc(cc1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210814 [0,2,0,0,0,0|1,0,1]=4 14849 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 34a_100000731257_100000210814 [0,2,0,0,0,0|2,0,0]=4 14850 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 7a_100000731257_100000210814 [0,2,0,0,0,0|2,0,0]=4 14851 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000210814_100000702099 [0,2,0,0,0,0|2,0,0]=4 14852 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000702099_100000210814 [0,2,0,0,0,0|2,0,0]=4 14853 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100000210814_100009813875 [0,2,0,0,0,0|2,0,0]=4 14854 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100009813875_100000210814 [0,2,0,0,0,0|2,0,0]=4 14855 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100000210814_100020610796 [0,2,0,0,0,0|1,0,1]=4 14856 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100020610796_100000210814 [0,2,0,0,0,0|1,0,1]=4 14857 B14R1.679 Cc1ccc(cn1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016987292 [0,2,0,0,0,0|2,0,0]=4 14858 B14R1.679 Cc1ccc(nc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000691093 [0,2,0,0,0,0|2,0,0]=4 14859 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 2230a_100000174875_100009813875 [0,2,0,0,0,0|2,0,0]=4 14860 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 34a_100000174875_100009813875 [0,2,0,0,0,0|2,0,0]=4 14861 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 2230a_100000174871_100009813875 [0,2,0,0,0,0|2,0,0]=4 14862 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 34a_100000174871_100009813875 [0,2,0,0,0,0|2,0,0]=4 14863 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 2230a_100000174882_100009813875 [0,2,0,0,0,0|2,0,0]=4 14864 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 34a_100000174882_100009813875 [0,2,0,0,0,0|2,0,0]=4 14865 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 2230a_100016989417_100009813875 [0,2,0,0,0,0|2,0,0]=4 14866 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 34a_100016989417_100009813875 [0,2,0,0,0,0|2,0,0]=4 14867 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)O 34a_100000185549_100009813875 [0,2,0,0,0,0|2,0,0]=4 14868 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Br 34a_100000695286_100009813875 [0,2,0,0,0,0|2,0,0]=4 14869 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 34a_100000211118_100009813875 [0,2,0,0,0,0|2,0,0]=4 14870 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 7a_100000211118_100009813875 [0,2,0,0,0,0|2,0,0]=4 14871 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 34a_100000210977_100009813875 [0,2,0,0,0,0|2,0,0]=4 14872 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 7a_100000210977_100009813875 [0,2,0,0,0,0|2,0,0]=4 14873 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 34a_100000690907_100009813875 [0,2,0,0,0,0|2,0,0]=4 14874 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 7a_100000690907_100009813875 [0,2,0,0,0,0|2,0,0]=4 14875 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)N 34a_100011215238_100009813875 [0,2,0,0,0,0|2,0,0]=4 14876 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100000189115_100009813875 [0,2,0,0,0,0|2,0,0]=4 14877 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100009813875_100000189115 [0,2,0,0,0,0|2,0,0]=4 14878 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100000187161_100009813875 [0,2,0,0,0,0|2,0,0]=4 14879 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100009813875_100000187161 [0,2,0,0,0,0|2,0,0]=4 14880 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100000198546_100009813875 [0,2,0,0,0,0|2,0,0]=4 14881 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100009813875_100000187164 [0,2,0,0,0,0|2,0,0]=4 14882 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100000189116_100009813875 [0,2,0,0,0,0|2,0,0]=4 14883 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100009813875_100000189116 [0,2,0,0,0,0|2,0,0]=4 14884 B14R1.679 Nc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215238_100020610796 [0,2,0,0,0,0|1,0,1]=4 14885 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Br 34a_100000174875_100020610796 [0,2,0,0,0,0|1,0,1]=4 14886 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Cl 34a_100000174871_100020610796 [0,2,0,0,0,0|1,0,1]=4 14887 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)F 34a_100000174882_100020610796 [0,2,0,0,0,0|1,0,1]=4 14888 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)I 34a_100016989417_100020610796 [0,2,0,0,0,0|1,0,1]=4 14889 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)O 34a_100000185549_100020610796 [0,2,0,0,0,0|1,0,1]=4 14890 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Br 34a_100000695286_100020610796 [0,2,0,0,0,0|1,0,1]=4 14891 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Cl 34a_100000211118_100020610796 [0,2,0,0,0,0|1,0,1]=4 14892 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)F 34a_100000210977_100020610796 [0,2,0,0,0,0|1,0,1]=4 14893 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)I 34a_100000690907_100020610796 [0,2,0,0,0,0|1,0,1]=4 14894 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100000189115_100020610796 [0,2,0,0,0,0|1,0,1]=4 14895 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100020610796_100000189115 [0,2,0,0,0,0|1,0,1]=4 14896 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100000187161_100020610796 [0,2,0,0,0,0|1,0,1]=4 14897 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100020610796_100000187161 [0,2,0,0,0,0|1,0,1]=4 14898 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100000198546_100020610796 [0,2,0,0,0,0|1,0,1]=4 14899 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100020610796_100000187164 [0,2,0,0,0,0|1,0,1]=4 14900 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100000189116_100020610796 [0,2,0,0,0,0|1,0,1]=4 14901 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100020610796_100000189116 [0,2,0,0,0,0|1,0,1]=4 14902 B14R1.756 C=C(CNc1ccccc1)C(=O)OC 34a_100000106764_100009813391 [0,2,0,0,0,0|1,0,1]=4 14903 B14R1.756 C=C(COc1ccccc1)C(=O)OC 34a_100000210340_100009813391 [0,2,0,0,0,0|1,0,1]=4 14904 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100000719477_100009813391 [0,2,0,0,0,0|1,0,1]=4 14905 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100009813391_100000041952 [0,2,0,0,0,0|1,0,1]=4 14906 B14R1.756 C=CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100000185746 [0,2,0,0,0,0|2,0,0]=4 14907 B14R1.756 C=CC(=O)N(C)CCc1ccccc1 240690a_100000207497_200121576911 [0,2,0,0,0,0|2,0,0]=4 14908 B14R1.756 CC(CCc1ccccc1)C(=O)CF 1458a_100011435293_100015361967 [0,2,0,0,0,0|1,0,0]=3 14909 B14R1.756 CC(OCc1ccccc1)C(=O)NN 34a_100000725659_100015291786 [0,2,0,0,0,0|2,0,0]=4 14910 B14R1.756 CC(SCc1ccccc1)C(=O)CF 1458a_100000149570_100015361967 [0,2,0,0,0,0|2,0,0]=4 14911 B14R1.756 CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210202 [0,2,0,0,0,0|1,0,0]=3 14912 B14R1.756 CCC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000742827 [0,2,0,0,0,0|2,0,0]=4 14913 B14R1.756 CCC(=O)C(C)OCc1ccccc1 7a_100000210790_100000742827 [0,2,0,0,0,0|2,0,0]=4 14914 B14R1.756 CCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000210202 [0,2,0,0,0,0|2,0,0]=4 14915 B14R1.756 CCC(=O)C(C)SCc1ccccc1 62a_100000211182_100000742827 [0,2,0,0,0,0|2,0,0]=4 14916 B14R1.756 CCC(=O)C(C)SCc1ccccc1 62a_100000742827_100015291786 [0,2,0,0,0,0|2,0,0]=4 14917 B14R1.756 CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210202 [0,2,0,0,0,0|1,0,0]=3 14918 B14R1.756 CCC(=O)N(C)CCc1ccccc1 11a_100000207497_100000210414 [0,2,0,0,0,0|2,0,0]=4 14919 B14R1.756 CCC(=O)N(C)CCc1ccccc1 1626a_100000207497_100000210414 [0,2,0,0,0,0|2,0,0]=4 14920 B14R1.756 CCC(=O)N(C)CCc1ccccc1 240690a_100000207497_100000210414 [0,2,0,0,0,0|2,0,0]=4 14921 B14R1.756 CCC(=O)N(C)CCc1ccccc1 527a_100000207497_100000210414 [0,2,0,0,0,0|2,0,0]=4 14922 B14R1.756 CCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000210202 [0,2,0,0,0,0|2,0,0]=4 14923 B14R1.756 CN(CCc1ccccc1)C(=O)CO 240690a_100000207497_100000210174 [0,2,0,0,0,0|1,0,0]=3 14924 B14R1.756 CN(CCc1ccccc1)C(=O)CO 527a_100000207497_100000210174 [0,2,0,0,0,0|1,0,0]=3 14925 B14R1.756 CN(CCc1ccccn1)C(=O)CO 240690a_100000737206_100000210174 [0,2,0,0,0,0|2,0,0]=4 14926 B14R1.756 CN(CCc1ccccn1)C(=O)CO 527a_100000737206_100000210174 [0,2,0,0,0,0|2,0,0]=4 14927 B14R1.756 CN(CCc1cccnc1)C(=O)CO 240690a_100000763209_100000210174 [0,2,0,0,0,0|2,0,0]=4 14928 B14R1.756 CN(CCc1cccnc1)C(=O)CO 527a_100000763209_100000210174 [0,2,0,0,0,0|2,0,0]=4 14929 B14R1.756 CN(CCc1ccncc1)C(=O)CO 240690a_100000742850_100000210174 [0,2,0,0,0,0|2,0,0]=4 14930 B14R1.756 CN(CCc1ccncc1)C(=O)CO 527a_100000742850_100000210174 [0,2,0,0,0,0|2,0,0]=4 14931 B14R1.756 CNC(=O)C(=O)CCc1ccccc1 1458a_100011218921_100000765856 [0,2,0,0,0,0|1,0,1]=4 14932 B14R1.756 CNC(=O)C(C)CCc1ccccc1 11a_106832991635_100011435293 [0,2,0,0,0,0|1,0,0]=3 14933 B14R1.756 CNC(=O)C(C)CCc1ccccc1 1626a_100102657272_100011435293 [0,2,0,0,0,0|1,0,0]=3 14934 B14R1.756 CNC(=O)C(C)CCc1ccccc1 240690a_100102657272_100011435293 [0,2,0,0,0,0|1,0,0]=3 14935 B14R1.756 CNC(=O)C(C)CCc1ccccc1 527a_100102657272_100011435293 [0,2,0,0,0,0|1,0,0]=3 14936 B14R1.756 CNC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000731044 [0,2,0,0,0,0|2,0,0]=4 14937 B14R1.756 CNC(=O)C(C)NCc1ccccc1 34a_100015324214_100000731044 [0,2,0,0,0,0|2,0,0]=4 14938 B14R1.756 CNC(=O)C(C)OCc1ccccc1 34a_100000210790_100000731044 [0,2,0,0,0,0|2,0,0]=4 14939 B14R1.756 CNC(=O)C(C)OCc1ccccc1 7a_100000210790_100000209862 [0,2,0,0,0,0|2,0,0]=4 14940 B14R1.756 CNC(=O)C(C)SCc1ccccc1 11a_106832991635_100000149570 [0,2,0,0,0,0|2,0,0]=4 14941 B14R1.756 CNC(=O)C(C)SCc1ccccc1 1626a_100102657272_100000149570 [0,2,0,0,0,0|2,0,0]=4 14942 B14R1.756 CNC(=O)C(C)SCc1ccccc1 240690a_100102657272_100000149570 [0,2,0,0,0,0|2,0,0]=4 14943 B14R1.756 CNC(=O)C(C)SCc1ccccc1 527a_100102657272_100000149570 [0,2,0,0,0,0|2,0,0]=4 14944 B14R1.756 CNC(=O)C(C)SCc1ccccc1 62a_100000209862_100015291786 [0,2,0,0,0,0|2,0,0]=4 14945 B14R1.756 CNC(=O)C(C)SCc1ccccc1 62a_100000211182_100000731044 [0,2,0,0,0,0|2,0,0]=4 14946 B14R1.756 CNC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813575 [0,2,0,0,0,0|2,0,0]=4 14947 B14R1.756 CNC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813575 [0,2,0,0,0,0|2,0,0]=4 14948 B14R1.756 CNC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813575 [0,2,0,0,0,0|2,0,0]=4 14949 B14R1.756 CNC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813575 [0,2,0,0,0,0|2,0,0]=4 14950 B14R1.756 CNC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813575 [0,2,0,0,0,0|2,0,0]=4 14951 B14R1.756 CNC(=O)C(F)SCc1ccccc1 62a_100009813575_100015291786 [0,2,0,0,0,0|2,0,0]=4 14952 B14R1.756 CNC(=O)C(O)CCc1ccccc1 240690a_100102657272_100000242596 [0,2,0,0,0,0|1,0,0]=3 14953 B14R1.756 CNC(=O)N(C)CCc1ccccc1 2708a_100102657272_100000207497 [0,2,0,0,0,0|2,0,0]=4 14954 B14R1.756 CNC(=O)N(C)CCc1ccccc1 273464a_100102657272_100000207497 [0,2,0,0,0,0|2,0,0]=4 14955 B14R1.756 CNC(=O)[C@@H](C)NCc1ccccc1 2230a_100000684985_100015291786 [0,2,0,0,0,0|2,0,0]=4 14956 B14R1.756 CNC(=O)[C@@H](C)NCc1ccccc1 34a_100000684985_100015291786 [0,2,0,0,0,0|2,0,0]=4 14957 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 11a_106832991635_100000703211 [0,2,0,0,0,0|2,0,0]=4 14958 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 1626a_100102657272_100000703211 [0,2,0,0,0,0|2,0,0]=4 14959 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 240690a_100102657272_100000703211 [0,2,0,0,0,0|2,0,0]=4 14960 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 527a_100102657272_100000703211 [0,2,0,0,0,0|2,0,0]=4 14961 B14R1.756 COC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011610305 [0,2,0,0,0,0|1,0,1]=4 14962 B14R1.756 COC(=O)C(=O)COc1ccccc1 34a_100000210340_100011610305 [0,2,0,0,0,0|1,0,1]=4 14963 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011610305 [0,2,0,0,0,0|1,0,1]=4 14964 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100011610305_100000041952 [0,2,0,0,0,0|1,0,1]=4 14965 B14R1.756 COC(=O)C(=O)NCc1ccccc1 11a_100015324214_100000024059 [0,2,0,0,0,0|1,0,1]=4 14966 B14R1.756 COC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100000024059 [0,2,0,0,0,0|1,0,1]=4 14967 B14R1.756 COC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100000024059 [0,2,0,0,0,0|1,0,1]=4 14968 B14R1.756 COC(=O)C(=O)NCc1ccccc1 527a_100015324214_100000024059 [0,2,0,0,0,0|1,0,1]=4 14969 B14R1.756 COC(=O)C(C)CNc1ccccc1 34a_100000106764_100000698445 [0,2,0,0,0,0|1,0,0]=3 14970 B14R1.756 COC(=O)C(C)COc1ccccc1 34a_100000210340_100000698445 [0,2,0,0,0,0|1,0,0]=3 14971 B14R1.756 COC(=O)C(C)COc1cccnc1 34a_100000210849_100000698445 [0,2,0,0,0,0|2,0,0]=4 14972 B14R1.756 COC(=O)C(C)COc1ccncc1 34a_100000212176_100000698445 [0,2,0,0,0,0|2,0,0]=4 14973 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000698445_100000041952 [0,2,0,0,0,0|1,0,0]=3 14974 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000719477_100000698445 [0,2,0,0,0,0|1,0,0]=3 14975 B14R1.756 COC(=O)C(C)CSc1ccccn1 62a_100000698445_100011216584 [0,2,0,0,0,0|2,0,0]=4 14976 B14R1.756 COC(=O)C(C)CSc1ccccn1 62a_100011216584_100000698445 [0,2,0,0,0,0|2,0,0]=4 14977 B14R1.756 COC(=O)C(C)CSc1cccnc1 62a_100000210063_100000698445 [0,2,0,0,0,0|2,0,0]=4 14978 B14R1.756 COC(=O)C(C)CSc1cccnc1 62a_100000698445_100000210063 [0,2,0,0,0,0|2,0,0]=4 14979 B14R1.756 COC(=O)C(C)CSc1ccncc1 62a_100000698445_100000728582 [0,2,0,0,0,0|2,0,0]=4 14980 B14R1.756 COC(=O)C(C)CSc1ccncc1 62a_100000728582_100000698445 [0,2,0,0,0,0|2,0,0]=4 14981 B14R1.756 COC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000211248 [0,2,0,0,0,0|1,0,0]=3 14982 B14R1.756 COC(=O)C(C)NCc1ccccc1 34a_100015324214_100000211248 [0,2,0,0,0,0|1,0,0]=3 14983 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100000210790_100000211248 [0,2,0,0,0,0|1,0,0]=3 14984 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100011215400_100015291786 [0,2,0,0,0,0|1,0,0]=3 14985 B14R1.756 COC(=O)C(C)OCc1ccccc1 7a_100000210790_100000211248 [0,2,0,0,0,0|1,0,0]=3 14986 B14R1.756 COC(=O)C(C)OCc1ccccn1 34a_100011215400_100000721315 [0,2,0,0,0,0|2,0,0]=4 14987 B14R1.756 COC(=O)C(C)OCc1cccnc1 34a_100011215400_100000733263 [0,2,0,0,0,0|2,0,0]=4 14988 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211182_100000211248 [0,2,0,0,0,0|1,0,0]=3 14989 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211248_100015291786 [0,2,0,0,0,0|1,0,0]=3 14990 B14R1.756 COC(=O)C(C)SCc1ccccn1 62a_100000211248_100000721315 [0,2,0,0,0,0|2,0,0]=4 14991 B14R1.756 COC(=O)C(C)SCc1ccccn1 62a_100000721315_100000211248 [0,2,0,0,0,0|2,0,0]=4 14992 B14R1.756 COC(=O)C(C)SCc1cccnc1 62a_100000211248_100000741622 [0,2,0,0,0,0|2,0,0]=4 14993 B14R1.756 COC(=O)C(C)SCc1cccnc1 62a_100000741622_100000211248 [0,2,0,0,0,0|2,0,0]=4 14994 B14R1.756 COC(=O)C(C)SCc1ccncc1 62a_100000211248_100015193705 [0,2,0,0,0,0|2,0,0]=4 14995 B14R1.756 COC(=O)C(C)SCc1ccncc1 62a_100015193705_100000211248 [0,2,0,0,0,0|2,0,0]=4 14996 B14R1.756 C[C@H](OCc1ccccc1)C(=O)CF 1458a_100000703211_100015361967 [0,2,0,0,0,0|2,0,0]=4 14997 B14R1.756 O=C(CF)C(O)CCc1ccccc1 1458a_100000242596_100015361967 [0,2,0,0,0,0|1,0,0]=3 14998 B14R1.4194 C=C[C@H](NCc1ccccc1)C(=O)O 269956a_100016992060_100015291786 [0,2,0,0,0,0|1,0,0]=3 14999 B14R1.4194 C=C[C@H](NCc1ccccn1)C(=O)O 269956a_100016992060_100000721315 [0,2,0,0,0,0|2,0,0]=4 15000 B14R1.4194 C=C[C@H](NCc1cccnc1)C(=O)O 269956a_100016992060_100000733263 [0,2,0,0,0,0|2,0,0]=4 15001 B14R1.4194 C=C[C@H](NCc1ccncc1)C(=O)O 269956a_100016992060_100015193705 [0,2,0,0,0,0|2,0,0]=4 15002 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 2230a_100000733705_100015291786 [0,2,0,0,0,0|2,0,0]=4 15003 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000750255 [0,2,0,0,0,0|2,0,0]=4 15004 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 34a_100000733705_100015291786 [0,2,0,0,0,0|2,0,0]=4 15005 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 34a_100015324214_100000750255 [0,2,0,0,0,0|2,0,0]=4 15006 B14R1.4194 CCC(OCc1ccccc1)C(=O)N 34a_100000210790_100000750255 [0,2,0,0,0,0|2,0,0]=4 15007 B14R1.4194 CCC(OCc1ccccc1)C(=O)N 7a_100000210790_100000750255 [0,2,0,0,0,0|2,0,0]=4 15008 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000211182_100000750255 [0,2,0,0,0,0|2,0,0]=4 15009 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000750255_100015291786 [0,2,0,0,0,0|2,0,0]=4 15010 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 11a_100000741020_100015343762 [0,2,0,0,0,0|2,0,0]=4 15011 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 1626a_100000741020_100015343762 [0,2,0,0,0,0|2,0,0]=4 15012 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 240690a_100000741020_100015343762 [0,2,0,0,0,0|2,0,0]=4 15013 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 527a_100000741020_100103153847 [0,2,0,0,0,0|2,0,0]=4 15014 B14R1.4194 CC[C@@H](NCc1ccccc1)C(=O)O 269956a_100000747097_100015291786 [0,2,0,0,0,0|1,0,0]=3 15015 B14R1.4194 CC[C@@H](NCc1ccccn1)C(=O)O 269956a_100000747097_100000721315 [0,2,0,0,0,0|2,0,0]=4 15016 B14R1.4194 CC[C@@H](NCc1cccnc1)C(=O)O 269956a_100000747097_100000733263 [0,2,0,0,0,0|2,0,0]=4 15017 B14R1.4194 CC[C@@H](NCc1ccncc1)C(=O)O 269956a_100000747097_100015193705 [0,2,0,0,0,0|2,0,0]=4 15018 B14R1.4194 CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_200000210301 [0,2,0,0,0,0|0,0,0]=2 15019 B14R1.4194 N#CC(NCc1ccccc1)C(=O)N 2230a_100000039599_100015291786 [0,2,0,0,0,0|2,0,0]=4 15020 B14R1.4194 N#CC(NCc1ccccc1)C(=O)N 270004a_100000039599_100015611070 [0,2,0,0,0,0|2,0,0]=4 15021 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 2230a_100000729942_100015291786 [0,2,0,0,0,0|2,0,0]=4 15022 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 270004a_100000729942_100015611070 [0,2,0,0,0,0|2,0,0]=4 15023 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 34a_100000729942_100015291786 [0,2,0,0,0,0|2,0,0]=4 15024 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 269956a_100000187304_100015291786 [0,2,0,0,0,0|1,0,0]=3 15025 B14R1.4194 O=C(O)C(CO)NCc1ccccn1 269956a_100000187304_100000721315 [0,2,0,0,0,0|2,0,0]=4 15026 B14R1.4194 O=C(O)C(CO)NCc1cccnc1 269956a_100000187304_100000733263 [0,2,0,0,0,0|2,0,0]=4 15027 B14R1.4194 O=C(O)C(CO)NCc1ccncc1 269956a_100000187304_100015193705 [0,2,0,0,0,0|2,0,0]=4 15028 B14R1.4194 [13CH3]NC(CCc1ccccc1)C(=O)O 269956a_100000701298_200025704644 [0,2,0,0,0,0|0,0,0]=2 15029 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 34a_100000747739_100015291786 [0,2,0,0,0,0|2,0,0]=4 15030 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000210790_100000075568 [0,2,0,0,0,0|2,0,0]=4 15031 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000747739_100000211182 [0,2,0,0,0,0|2,0,0]=4 15032 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 1458a_100011459008_200000210301 [0,2,0,0,0,0|2,0,0]=4 15033 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000075568_100015291786 [0,2,0,0,0,0|2,0,0]=4 15034 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000211182_100000075568 [0,2,0,0,0,0|2,0,0]=4 15035 B14R1.6395 CC(C)(CNc1ccccc1)C(=O)N 34a_100000106764_200009895572 [0,2,0,0,0,0|2,0,0]=4 15036 B14R1.6395 CC(C)(COc1ccccc1)C(=O)N 34a_100000210340_200009895572 [0,2,0,0,0,0|2,0,0]=4 15037 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_100000719477_200009895572 [0,2,0,0,0,0|2,0,0]=4 15038 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_200009895572_100000041952 [0,2,0,0,0,0|2,0,0]=4 15039 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100000743658_100015291786 [0,2,0,0,0,0|2,0,0]=4 15040 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702505 [0,2,0,0,0,0|2,0,0]=4 15041 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100000743658_100015291786 [0,2,0,0,0,0|2,0,0]=4 15042 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100015324214_100000702505 [0,2,0,0,0,0|2,0,0]=4 15043 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100000210790_100000702505 [0,2,0,0,0,0|2,0,0]=4 15044 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100011626353_100015291786 [0,2,0,0,0,0|2,0,0]=4 15045 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100000210790_100000702505 [0,2,0,0,0,0|2,0,0]=4 15046 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100011626353_100000211182 [0,2,0,0,0,0|2,0,0]=4 15047 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000211182_100000702505 [0,2,0,0,0,0|2,0,0]=4 15048 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000702505_100015291786 [0,2,0,0,0,0|2,0,0]=4 15049 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)[13CH3] 1458a_100011459008_200025704644 [0,2,0,0,0,0|2,0,0]=4 15050 B14R1.6395 NC(=O)C(F)(F)OCc1ccccc1 7a_100000210790_100009811971 [0,2,0,0,0,0|2,0,0]=4 15051 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100000211182_100009811971 [0,2,0,0,0,0|2,0,0]=4 15052 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100009811971_100015291786 [0,2,0,0,0,0|2,0,0]=4 15053 B14R1.6395 O=C([O-])C(F)(F)NCc1ccccc1 34a_100015324214_100020612412 [0,2,0,0,0,0|1,0,1]=4 15054 B14R1.6395 O=C([O-])C(F)(F)OCc1ccccc1 34a_100000210790_100020612412 [0,2,0,0,0,0|1,0,1]=4 15055 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000211182_100000745680 [0,2,0,0,0,0|1,0,1]=4 15056 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000745680_100015291786 [0,2,0,0,0,0|1,0,1]=4 15057 B14R1.4 C#Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000140223 [0,2,0,0,0,0|2,0,0]=4 15058 B14R1.4 C#Cc1ccc(cc1)CNCC(=O)N 2230a_100015199678_100000747473 [0,2,0,0,0,0|2,0,0]=4 15059 B14R1.4 C#Cc1ccc(cc1)CNCC(=O)N 34a_100015199678_100000187820 [0,2,0,0,0,0|2,0,0]=4 15060 B14R1.4 C#Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000140223 [0,2,0,0,0,0|1,0,0]=3 15061 B14R1.4 C#Cc1ccc(cc1)CNCC(=O)[O-] 34a_100015199678_100020667443 [0,2,0,0,0,0|1,0,1]=4 15062 B14R1.4 C#Cc1ccc(cc1)COCC(=O)C 34a_100000211253_100000140223 [0,2,0,0,0,0|2,0,0]=4 15063 B14R1.4 C#Cc1ccc(cc1)COCC(=O)N 34a_100000054647_100000187820 [0,2,0,0,0,0|2,0,0]=4 15064 B14R1.4 C#Cc1ccc(cc1)COCC(=O)N 7a_100000054647_100000187820 [0,2,0,0,0,0|2,0,0]=4 15065 B14R1.4 C#Cc1ccc(cc1)COCC(=O)[O-] 34a_100000054647_100020667443 [0,2,0,0,0,0|1,0,1]=4 15066 B14R1.4 C#Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000140223 [0,2,0,0,0,0|2,0,0]=4 15067 B14R1.4 C#Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000140223 [0,2,0,0,0,0|1,0,1]=4 15068 B14R1.4 C#Cc1ccc(cc1)NCCC(=O)N 34a_100011215031_100000731001 [0,2,0,0,0,0|2,0,0]=4 15069 B14R1.4 C=Cc1ccc(cc1)CCOC(=O)C 271570a_100011290941_200016374084 [0,2,0,0,0,0|2,0,0]=4 15070 B14R1.4 C=Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000034074 [0,2,0,0,0,0|2,0,0]=4 15071 B14R1.4 C=Cc1ccc(cc1)CNCC(=O)N 34a_200011934891_100000187820 [0,2,0,0,0,0|2,0,0]=4 15072 B14R1.4 C=Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000034074 [0,2,0,0,0,0|1,0,0]=3 15073 B14R1.4 C=Cc1ccc(cc1)CNCC(=O)[O-] 34a_200011934891_100020667443 [0,2,0,0,0,0|1,0,1]=4 15074 B14R1.4 C=Cc1ccc(cc1)COCC(=O)C 34a_100000211253_100000034074 [0,2,0,0,0,0|2,0,0]=4 15075 B14R1.4 C=Cc1ccc(cc1)COCC(=O)N 34a_100000073583_100000187820 [0,2,0,0,0,0|2,0,0]=4 15076 B14R1.4 C=Cc1ccc(cc1)COCC(=O)N 7a_100000073583_100000187820 [0,2,0,0,0,0|2,0,0]=4 15077 B14R1.4 C=Cc1ccc(cc1)COCC(=O)[O-] 34a_100000073583_100020667443 [0,2,0,0,0,0|1,0,1]=4 15078 B14R1.4 C=Cc1ccc(cc1)CSCC(=O)N 62a_100000034074_100000747473 [0,2,0,0,0,0|2,0,0]=4 15079 B14R1.4 C=Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000034074 [0,2,0,0,0,0|2,0,0]=4 15080 B14R1.4 C=Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000034074_100020667443 [0,2,0,0,0,0|1,0,1]=4 15081 B14R1.4 C=Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000034074 [0,2,0,0,0,0|1,0,1]=4 15082 B14R1.4 C=Cc1ccc(cc1)NCCC(=O)N 34a_100011218248_100000731001 [0,2,0,0,0,0|2,0,0]=4 15083 B14R1.4 C=Cc1ccc(cc1)OCCC(=O)C 7a_100000189437_100000053229 [0,2,0,0,0,0|2,0,0]=4 15084 B14R1.4 C=Cc1ccc(cc1)OCCC(=O)N 34a_100000189437_100000731001 [0,2,0,0,0,0|2,0,0]=4 15085 B14R1.4 C=Cc1ccc(cc1)OCCC(=O)N 7a_100000189437_100000744528 [0,2,0,0,0,0|2,0,0]=4 15086 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000748128 [0,2,0,0,0,0|2,0,0]=4 15087 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)C 62a_100000748128_100000053229 [0,2,0,0,0,0|2,0,0]=4 15088 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000748128 [0,2,0,0,0,0|2,0,0]=4 15089 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)N 62a_100000748128_100000744528 [0,2,0,0,0,0|2,0,0]=4 15090 B14R1.4 CC(=O)CCOc1ccc(cc1)C#N 1458a_100000070787_100000184558 [0,2,0,0,0,0|2,0,0]=4 15091 B14R1.4 CC(=O)CCOc1ccc(cc1)C#N 1458a_100011194779_200000210301 [0,2,0,0,0,0|2,0,0]=4 15092 B14R1.4 CC(=O)CCOc1ccc(cc1)C#N 7a_100000210344_100000053229 [0,2,0,0,0,0|2,0,0]=4 15093 B14R1.4 CC(=O)CCOc1ccc(cc1)C=O 1458a_100000070787_100000040479 [0,2,0,0,0,0|2,0,0]=4 15094 B14R1.4 CC(=O)CCOc1ccc(cc1)CO 1458a_200011215777_200000210301 [0,2,0,0,0,0|2,0,0]=4 15095 B14R1.4 CC(=O)CCSc1ccc(cc1)C#N 62a_100000053229_100000184291 [0,2,0,0,0,0|2,0,0]=4 15096 B14R1.4 CC(=O)CCSc1ccc(cc1)C=O 62a_100000053229_100000188517 [0,2,0,0,0,0|2,0,0]=4 15097 B14R1.4 CC(=O)CCSc1ccc(cc1)C=O 62a_100000188517_100000053229 [0,2,0,0,0,0|2,0,0]=4 15098 B14R1.4 CC(=O)CCSc1ccc(cc1)CF 62a_100000053229_100010268989 [0,2,0,0,0,0|2,0,0]=4 15099 B14R1.4 CC(=O)CCSc1ccc(cc1)CF 62a_100010268989_100000053229 [0,2,0,0,0,0|2,0,0]=4 15100 B14R1.4 CC(=O)CCSc1ccc(cc1)CN 62a_100000053229_100016989417 [0,2,0,0,0,0|2,0,0]=4 15101 B14R1.4 CC(=O)CCSc1ccc(cc1)CN 62a_100016989417_100000053229 [0,2,0,0,0,0|2,0,0]=4 15102 B14R1.4 CC(=O)CCSc1ccc(cc1)CO 62a_100000053229_100000690907 [0,2,0,0,0,0|2,0,0]=4 15103 B14R1.4 CC(=O)CCSc1ccc(cc1)CO 62a_100000690907_100000053229 [0,2,0,0,0,0|2,0,0]=4 15104 B14R1.4 CC(=O)CCSc1ccc(cc1)NN 62a_100000053229_100016988836 [0,2,0,0,0,0|2,0,0]=4 15105 B14R1.4 CC(=O)CCSc1ccc(cc1)NN 62a_100016988836_100000053229 [0,2,0,0,0,0|2,0,0]=4 15106 B14R1.4 CC(=O)COCc1ccc(cc1)C#N 34a_100000211253_100000184898 [0,2,0,0,0,0|2,0,0]=4 15107 B14R1.4 CC(=O)COCc1ccc(cc1)C=O 34a_100000211253_100009816848 [0,2,0,0,0,0|2,0,0]=4 15108 B14R1.4 CC(=O)COCc1ccc(cc1)CO 34a_100000211253_100000067286 [0,2,0,0,0,0|2,0,0]=4 15109 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 11a_100015189369_100015343762 [0,2,0,0,0,0|2,0,0]=4 15110 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 1626a_100015189369_100015343762 [0,2,0,0,0,0|2,0,0]=4 15111 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 240690a_100015189369_100015343762 [0,2,0,0,0,0|2,0,0]=4 15112 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 527a_100015189369_100103153847 [0,2,0,0,0,0|2,0,0]=4 15113 B14R1.4 CC(=O)NCCc1ccc(cc1)O[13CH3] 34a_100011395907_200025704644 [0,2,0,0,0,0|2,0,0]=4 15114 B14R1.4 CC(=O)NCCc1ccc(cc1)O[13CH3] 7a_100011395907_200025704644 [0,2,0,0,0,0|2,0,0]=4 15115 B14R1.4 CC(=O)OCCc1ccc(cc1)S[13CH3] 62a_200016374084_200025704644 [0,2,0,0,0,0|2,0,0]=4 15116 B14R1.4 CC(=O)OCCc1ccc(cc1)S[13CH3] 62a_200025704644_200016374084 [0,2,0,0,0,0|2,0,0]=4 15117 B14R1.4 CCc1ccc(cc1)CCCC(=O)C 1458a_100011236546_200000210301 [0,2,0,0,0,0|1,0,0]=3 15118 B14R1.4 CCc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100011236546_200025704644 [0,2,0,0,0,0|1,0,0]=3 15119 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 11a_100025712186_100015343762 [0,2,0,0,0,0|2,0,0]=4 15120 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 1626a_100025712186_100015343762 [0,2,0,0,0,0|2,0,0]=4 15121 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 240690a_100025712186_100015343762 [0,2,0,0,0,0|2,0,0]=4 15122 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 527a_100025712186_100103153847 [0,2,0,0,0,0|2,0,0]=4 15123 B14R1.4 CCc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000747183 [0,2,0,0,0,0|2,0,0]=4 15124 B14R1.4 CCc1ccc(cc1)CNCC(=O)N 2230a_100000721222_100000747473 [0,2,0,0,0,0|2,0,0]=4 15125 B14R1.4 CCc1ccc(cc1)CNCC(=O)N 34a_100000721222_100000187820 [0,2,0,0,0,0|2,0,0]=4 15126 B14R1.4 CCc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000757233 [0,2,0,0,0,0|1,0,0]=3 15127 B14R1.4 CCc1ccc(cc1)CNCC(=O)[O-] 34a_100000721222_100020667443 [0,2,0,0,0,0|1,0,1]=4 15128 B14R1.4 CCc1ccc(cc1)COCC(=O)C 34a_100000211253_100000747183 [0,2,0,0,0,0|2,0,0]=4 15129 B14R1.4 CCc1ccc(cc1)COCC(=O)N 34a_100000702245_100000187820 [0,2,0,0,0,0|2,0,0]=4 15130 B14R1.4 CCc1ccc(cc1)COCC(=O)N 7a_100000702245_100000187820 [0,2,0,0,0,0|2,0,0]=4 15131 B14R1.4 CCc1ccc(cc1)COCC(=O)[O-] 34a_100000702245_100020667443 [0,2,0,0,0,0|1,0,1]=4 15132 B14R1.4 CCc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000747183 [0,2,0,0,0,0|2,0,0]=4 15133 B14R1.4 CCc1ccc(cc1)CSCC(=O)N 62a_100000757233_100000747473 [0,2,0,0,0,0|2,0,0]=4 15134 B14R1.4 CCc1ccc(cc1)CSCC(=O)[O-] 62a_100000757233_100020667443 [0,2,0,0,0,0|1,0,1]=4 15135 B14R1.4 CCc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000747183 [0,2,0,0,0,0|1,0,1]=4 15136 B14R1.4 CCc1ccc(cc1)NCCC(=O)N 2230a_100000211069_100000744528 [0,2,0,0,0,0|2,0,0]=4 15137 B14R1.4 CCc1ccc(cc1)NCCC(=O)N 34a_100000211069_100000731001 [0,2,0,0,0,0|2,0,0]=4 15138 B14R1.4 CCc1ccc(cc1)OCCC(=O)C 7a_100000211359_100000053229 [0,2,0,0,0,0|2,0,0]=4 15139 B14R1.4 CCc1ccc(cc1)OCCC(=O)N 34a_100000211359_100000731001 [0,2,0,0,0,0|2,0,0]=4 15140 B14R1.4 CCc1ccc(cc1)OCCC(=O)N 7a_100000211359_100000744528 [0,2,0,0,0,0|2,0,0]=4 15141 B14R1.4 CCc1ccc(cc1)SCCC(=O)C 62a_100000053229_100011215824 [0,2,0,0,0,0|2,0,0]=4 15142 B14R1.4 CCc1ccc(cc1)SCCC(=O)C 62a_100011215824_100000053229 [0,2,0,0,0,0|2,0,0]=4 15143 B14R1.4 CCc1ccc(cc1)SCCC(=O)N 62a_100000744528_100011215824 [0,2,0,0,0,0|2,0,0]=4 15144 B14R1.4 CCc1ccc(cc1)SCCC(=O)N 62a_100011215824_100000744528 [0,2,0,0,0,0|2,0,0]=4 15145 B14R1.4 CNc1ccc(cc1)OCCC(=O)N 34a_100000182112_100000731001 [0,2,0,0,0,0|2,0,0]=4 15146 B14R1.4 CNc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000743151 [0,2,0,0,0,0|2,0,0]=4 15147 B14R1.4 CNc1ccc(cc1)SCCC(=O)C 62a_100000743151_100000053229 [0,2,0,0,0,0|2,0,0]=4 15148 B14R1.4 CNc1ccc(cc1)SCCC(=O)N 62a_100000743151_100000744528 [0,2,0,0,0,0|2,0,0]=4 15149 B14R1.4 CNc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000743151 [0,2,0,0,0,0|2,0,0]=4 15150 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000070787_100011740616 [0,2,0,0,0,0|1,0,0]=3 15151 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000186216_200000210301 [0,2,0,0,0,0|1,0,0]=3 15152 B14R1.4 COc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000186216_200025704644 [0,2,0,0,0,0|1,0,0]=3 15153 B14R1.4 COc1ccc(cc1)CCNC(=O)C 11a_100000210796_100015343762 [0,2,0,0,0,0|2,0,0]=4 15154 B14R1.4 COc1ccc(cc1)CCNC(=O)C 1626a_100000210796_100015343762 [0,2,0,0,0,0|2,0,0]=4 15155 B14R1.4 COc1ccc(cc1)CCNC(=O)C 240690a_100000210796_100015343762 [0,2,0,0,0,0|2,0,0]=4 15156 B14R1.4 COc1ccc(cc1)CCNC(=O)C 34a_100011395907_200000210301 [0,2,0,0,0,0|2,0,0]=4 15157 B14R1.4 COc1ccc(cc1)CCNC(=O)C 527a_100000210796_100103153847 [0,2,0,0,0,0|2,0,0]=4 15158 B14R1.4 COc1ccc(cc1)CCNC(=O)C 7a_100011395907_200000210301 [0,2,0,0,0,0|2,0,0]=4 15159 B14R1.4 COc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000742318 [0,2,0,0,0,0|2,0,0]=4 15160 B14R1.4 COc1ccc(cc1)CNCC(=O)N 34a_100000185587_100000187820 [0,2,0,0,0,0|2,0,0]=4 15161 B14R1.4 COc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000742318 [0,2,0,0,0,0|1,0,0]=3 15162 B14R1.4 COc1ccc(cc1)CNCC(=O)[O-] 34a_100000185587_100020667443 [0,2,0,0,0,0|1,0,1]=4 15163 B14R1.4 COc1ccc(cc1)COCC(=O)C 1458a_100000741626_200000210301 [0,2,0,0,0,0|2,0,0]=4 15164 B14R1.4 COc1ccc(cc1)COCC(=O)C 34a_100000211253_100000742318 [0,2,0,0,0,0|2,0,0]=4 15165 B14R1.4 COc1ccc(cc1)COCC(=O)N 34a_100000173359_100000187820 [0,2,0,0,0,0|2,0,0]=4 15166 B14R1.4 COc1ccc(cc1)COCC(=O)[13CH3] 1458a_100000741626_200025704644 [0,2,0,0,0,0|2,0,0]=4 15167 B14R1.4 COc1ccc(cc1)COCC(=O)[O-] 34a_100000173359_100020667443 [0,2,0,0,0,0|1,0,1]=4 15168 B14R1.4 COc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000742318 [0,2,0,0,0,0|2,0,0]=4 15169 B14R1.4 COc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000742318 [0,2,0,0,0,0|1,0,1]=4 15170 B14R1.4 COc1ccc(cc1)NCCC(=O)N 34a_100000184247_100000731001 [0,2,0,0,0,0|2,0,0]=4 15171 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000070787_100000183225 [0,2,0,0,0,0|2,0,0]=4 15172 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000182993_200000210301 [0,2,0,0,0,0|2,0,0]=4 15173 B14R1.4 COc1ccc(cc1)OCCC(=O)N 34a_100000210503_100000731001 [0,2,0,0,0,0|2,0,0]=4 15174 B14R1.4 COc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182993_200025704644 [0,2,0,0,0,0|2,0,0]=4 15175 B14R1.4 COc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000171711 [0,2,0,0,0,0|2,0,0]=4 15176 B14R1.4 COc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000171711 [0,2,0,0,0,0|2,0,0]=4 15177 B14R1.4 COc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100020631284 [0,2,0,0,0,0|2,0,0]=4 15178 B14R1.4 COc1ccc(nc1)CNCC(=O)O 269956a_100016091260_200000757186 [0,2,0,0,0,0|2,0,0]=4 15179 B14R1.4 CSc1ccc(cc1)CCOC(=O)C 62a_200000210301_200016374084 [0,2,0,0,0,0|2,0,0]=4 15180 B14R1.4 CSc1ccc(cc1)CCOC(=O)C 62a_200016374084_200000210301 [0,2,0,0,0,0|2,0,0]=4 15181 B14R1.4 CSc1ccc(cc1)CNCC(=O)N 2230a_100000174980_100000747473 [0,2,0,0,0,0|2,0,0]=4 15182 B14R1.4 CSc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000181263 [0,2,0,0,0,0|2,0,0]=4 15183 B14R1.4 CSc1ccc(cc1)CNCC(=O)N 34a_100000174980_100000187820 [0,2,0,0,0,0|2,0,0]=4 15184 B14R1.4 CSc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000181263 [0,2,0,0,0,0|1,0,0]=3 15185 B14R1.4 CSc1ccc(cc1)CNCC(=O)[O-] 34a_100000174980_100020667443 [0,2,0,0,0,0|1,0,1]=4 15186 B14R1.4 CSc1ccc(cc1)COCC(=O)C 34a_100000211253_100000181263 [0,2,0,0,0,0|2,0,0]=4 15187 B14R1.4 CSc1ccc(cc1)COCC(=O)N 34a_100011215404_100000187820 [0,2,0,0,0,0|2,0,0]=4 15188 B14R1.4 CSc1ccc(cc1)COCC(=O)N 7a_100011215404_100000187820 [0,2,0,0,0,0|2,0,0]=4 15189 B14R1.4 CSc1ccc(cc1)COCC(=O)[O-] 34a_100011215404_100020667443 [0,2,0,0,0,0|1,0,1]=4 15190 B14R1.4 CSc1ccc(cc1)CSCC(=O)N 62a_100000181263_100000747473 [0,2,0,0,0,0|2,0,0]=4 15191 B14R1.4 CSc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000181263 [0,2,0,0,0,0|2,0,0]=4 15192 B14R1.4 CSc1ccc(cc1)CSCC(=O)[O-] 62a_100000181263_100020667443 [0,2,0,0,0,0|1,0,1]=4 15193 B14R1.4 CSc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000181263 [0,2,0,0,0,0|1,0,1]=4 15194 B14R1.4 CSc1ccc(cc1)NCCC(=O)N 34a_100000212337_100000731001 [0,2,0,0,0,0|2,0,0]=4 15195 B14R1.4 CSc1ccc(cc1)OCCC(=O)N 34a_100000211864_100000731001 [0,2,0,0,0,0|2,0,0]=4 15196 B14R1.4 CSc1ccc(cc1)SCCC(=O)C 62a_100000053229_100011263217 [0,2,0,0,0,0|2,0,0]=4 15197 B14R1.4 CSc1ccc(cc1)SCCC(=O)C 62a_100011263217_100000053229 [0,2,0,0,0,0|2,0,0]=4 15198 B14R1.4 CSc1ccc(cc1)SCCC(=O)N 62a_100000744528_100011263217 [0,2,0,0,0,0|2,0,0]=4 15199 B14R1.4 CSc1ccc(cc1)SCCC(=O)N 62a_100011263217_100000744528 [0,2,0,0,0,0|2,0,0]=4 15200 B14R1.4 N#Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000184898 [0,2,0,0,0,0|2,0,0]=4 15201 B14R1.4 N#Cc1ccc(cc1)CNCC(=O)N 34a_100015207190_100000187820 [0,2,0,0,0,0|2,0,0]=4 15202 B14R1.4 N#Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000184898 [0,2,0,0,0,0|1,0,0]=3 15203 B14R1.4 N#Cc1ccc(cc1)CNCC(=O)[O-] 34a_100015207190_100020667443 [0,2,0,0,0,0|1,0,1]=4 15204 B14R1.4 N#Cc1ccc(cc1)COCC(=O)N 34a_100000238739_100000187820 [0,2,0,0,0,0|2,0,0]=4 15205 B14R1.4 N#Cc1ccc(cc1)COCC(=O)N 7a_100000238739_100000187820 [0,2,0,0,0,0|2,0,0]=4 15206 B14R1.4 N#Cc1ccc(cc1)COCC(=O)[O-] 34a_100000238739_100020667443 [0,2,0,0,0,0|1,0,1]=4 15207 B14R1.4 N#Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000184898 [0,2,0,0,0,0|2,0,0]=4 15208 B14R1.4 N#Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000184898 [0,2,0,0,0,0|1,0,1]=4 15209 B14R1.4 N#Cc1ccc(cc1)NCCC(=O)N 34a_100000185469_100000731001 [0,2,0,0,0,0|2,0,0]=4 15210 B14R1.4 N#Cc1ccc(cc1)OCCC(=O)N 34a_100000210344_100000731001 [0,2,0,0,0,0|2,0,0]=4 15211 B14R1.4 N#Cc1ccc(cc1)OCCC(=O)N 7a_100000210344_100000744528 [0,2,0,0,0,0|2,0,0]=4 15212 B14R1.4 N#Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000184291 [0,2,0,0,0,0|2,0,0]=4 15213 B14R1.4 N#Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100009816919 [0,2,0,0,0,0|2,0,0]=4 15214 B14R1.4 N#Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000693164 [0,2,0,0,0,0|2,0,0]=4 15215 B14R1.4 NC(=O)CCNc1ccc(cc1)CO 2230a_100011215238_100000744528 [0,2,0,0,0,0|2,0,0]=4 15216 B14R1.4 NC(=O)CCNc1ccc(cc1)CO 34a_100011215238_100000731001 [0,2,0,0,0,0|2,0,0]=4 15217 B14R1.4 NC(=O)CCOc1ccc(cc1)CO 34a_100000211755_100000731001 [0,2,0,0,0,0|2,0,0]=4 15218 B14R1.4 NC(=O)CCSc1ccc(cc1)C=O 62a_100000188517_100000744528 [0,2,0,0,0,0|2,0,0]=4 15219 B14R1.4 NC(=O)CCSc1ccc(cc1)C=O 62a_100000744528_100000188517 [0,2,0,0,0,0|2,0,0]=4 15220 B14R1.4 NC(=O)CCSc1ccc(cc1)CF 62a_100000744528_100010268989 [0,2,0,0,0,0|2,0,0]=4 15221 B14R1.4 NC(=O)CCSc1ccc(cc1)CF 62a_100010268989_100000744528 [0,2,0,0,0,0|2,0,0]=4 15222 B14R1.4 NC(=O)CCSc1ccc(cc1)CO 62a_100000690907_100000744528 [0,2,0,0,0,0|2,0,0]=4 15223 B14R1.4 NC(=O)CCSc1ccc(cc1)CO 62a_100000744528_100000690907 [0,2,0,0,0,0|2,0,0]=4 15224 B14R1.4 NC(=O)CNCc1ccc(cc1)C=O 2230a_100000711301_100009816848 [0,2,0,0,0,0|2,0,0]=4 15225 B14R1.4 NC(=O)CNCc1ccc(cc1)CO 2230a_100000711301_100000067286 [0,2,0,0,0,0|2,0,0]=4 15226 B14R1.4 NC(=O)CNCc1ccc(cc1)CO 2230a_100015189231_100000747473 [0,2,0,0,0,0|2,0,0]=4 15227 B14R1.4 NC(=O)CNCc1ccc(cc1)CO 34a_100015189231_100000187820 [0,2,0,0,0,0|2,0,0]=4 15228 B14R1.4 NC(=O)COCc1ccc(cc1)CBr 34a_100012353999_100000187820 [0,2,0,0,0,0|2,0,0]=4 15229 B14R1.4 NC(=O)COCc1ccc(cc1)CBr 7a_100012353999_100000187820 [0,2,0,0,0,0|2,0,0]=4 15230 B14R1.4 NC(=O)COCc1ccc(cc1)CCl 34a_100000067286_100000187820 [0,2,0,0,0,0|2,0,0]=4 15231 B14R1.4 NC(=O)COCc1ccc(cc1)CCl 7a_100000067286_100000187820 [0,2,0,0,0,0|2,0,0]=4 15232 B14R1.4 NC(=O)CSCc1ccc(cc1)C=O 62a_100000747473_100009816848 [0,2,0,0,0,0|2,0,0]=4 15233 B14R1.4 NC(=O)CSCc1ccc(cc1)C=O 62a_100009816848_100000747473 [0,2,0,0,0,0|2,0,0]=4 15234 B14R1.4 NC(=O)CSCc1ccc(cc1)CO 62a_100000067286_100000747473 [0,2,0,0,0,0|2,0,0]=4 15235 B14R1.4 NC(=O)CSCc1ccc(cc1)CO 62a_100000747473_100000067286 [0,2,0,0,0,0|2,0,0]=4 15236 B14R1.4 NCc1ccc(cc1)COCC(=O)N 34a_100015189231_100000187820 [0,2,0,0,0,0|2,0,0]=4 15237 B14R1.4 NCc1ccc(cc1)COCC(=O)[O-] 34a_100015189231_100020667443 [0,2,0,0,0,0|1,0,1]=4 15238 B14R1.4 NCc1ccc(cc1)OCCC(=O)N 34a_100000185549_100000731001 [0,2,0,0,0,0|2,0,0]=4 15239 B14R1.4 NCc1ccc(cc1)SCCC(=O)N 62a_100000744528_100016989417 [0,2,0,0,0,0|2,0,0]=4 15240 B14R1.4 NCc1ccc(cc1)SCCC(=O)N 62a_100016989417_100000744528 [0,2,0,0,0,0|2,0,0]=4 15241 B14R1.4 NNc1ccc(cc1)SCCC(=O)N 62a_100000744528_100016988836 [0,2,0,0,0,0|2,0,0]=4 15242 B14R1.4 NNc1ccc(cc1)SCCC(=O)N 62a_100016988836_100000744528 [0,2,0,0,0,0|2,0,0]=4 15243 B14R1.4 O=C(O)CNCc1ccc(cc1)CO 269956a_100016091260_100000067286 [0,2,0,0,0,0|1,0,0]=3 15244 B14R1.4 O=C([O-])CNCc1ccc(cc1)CO 34a_100015189231_100020667443 [0,2,0,0,0,0|1,0,1]=4 15245 B14R1.4 O=C([O-])COCc1ccc(cc1)CBr 34a_100012353999_100020667443 [0,2,0,0,0,0|1,0,1]=4 15246 B14R1.4 O=C([O-])COCc1ccc(cc1)CCl 34a_100000067286_100020667443 [0,2,0,0,0,0|1,0,1]=4 15247 B14R1.4 O=C([O-])CSCc1ccc(cc1)CO 62a_100000067286_100020667443 [0,2,0,0,0,0|1,0,1]=4 15248 B14R1.4 O=C([O-])CSCc1ccc(cc1)CO 62a_100020667443_100000067286 [0,2,0,0,0,0|1,0,1]=4 15249 B14R1.4 O=Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100009816848 [0,2,0,0,0,0|1,0,0]=3 15250 B14R1.4 O=Cc1ccc(cc1)CSCC(=O)[O-] 62a_100009816848_100020667443 [0,2,0,0,0,0|1,0,1]=4 15251 B14R1.4 O=Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100009816848 [0,2,0,0,0,0|1,0,1]=4 15252 B14R1.4 [13CH3]C(=O)CCOc1ccc(cc1)C#N 1458a_100011194779_200025704644 [0,2,0,0,0,0|2,0,0]=4 15253 B14R1.4 [13CH3]C(=O)CCOc1ccc(cc1)CO 1458a_200011215777_200025704644 [0,2,0,0,0,0|2,0,0]=4 15254 B14R1.13 C#CC(=O)CCCc1ccc(cc1)Br 1458a_100000211873_100011713682 [0,2,0,0,0,0|1,0,0]=3 15255 B14R1.13 C#CC(=O)CCCc1ccc(cc1)Cl 1458a_100000211873_100000759440 [0,2,0,0,0,0|1,0,0]=3 15256 B14R1.13 C#CC(=O)CCCc1ccc(cc1)F 1458a_100000211873_200011713563 [0,2,0,0,0,0|1,0,0]=3 15257 B14R1.13 C#CC(=O)CCOc1ccc(cc1)Br 1458a_100000211873_100000183278 [0,2,0,0,0,0|2,0,0]=4 15258 B14R1.13 C#CC(=O)CCOc1ccc(cc1)C 1458a_100000211873_100000183172 [0,2,0,0,0,0|2,0,0]=4 15259 B14R1.13 C#CC(=O)CCOc1ccc(cc1)Cl 1458a_100000211873_100000184122 [0,2,0,0,0,0|2,0,0]=4 15260 B14R1.13 C#CC(=O)CCOc1ccc(cc1)F 1458a_100000211873_100000184936 [0,2,0,0,0,0|2,0,0]=4 15261 B14R1.13 C=CC(=O)CCCc1ccc(cc1)Br 1458a_100000185746_100011713682 [0,2,0,0,0,0|1,0,0]=3 15262 B14R1.13 C=CC(=O)CCCc1ccc(cc1)Cl 1458a_100000185746_100000759440 [0,2,0,0,0,0|1,0,0]=3 15263 B14R1.13 C=CC(=O)CCCc1ccc(cc1)F 1458a_100000185746_200011713563 [0,2,0,0,0,0|1,0,0]=3 15264 B14R1.13 C=CC(=O)CCOc1ccc(cc1)Br 1458a_100000185746_100000183278 [0,2,0,0,0,0|2,0,0]=4 15265 B14R1.13 C=CC(=O)CCOc1ccc(cc1)C 1458a_100000185746_100000183172 [0,2,0,0,0,0|2,0,0]=4 15266 B14R1.13 C=CC(=O)CCOc1ccc(cc1)Cl 1458a_100000185746_100000184122 [0,2,0,0,0,0|2,0,0]=4 15267 B14R1.13 C=CC(=O)CCOc1ccc(cc1)F 1458a_100000185746_100000184936 [0,2,0,0,0,0|2,0,0]=4 15268 B14R1.13 C=CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100000185746 [0,2,0,0,0,0|2,0,0]=4 15269 B14R1.13 C=CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_200121576911 [0,2,0,0,0,0|2,0,0]=4 15270 B14R1.13 C=CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100000185746 [0,2,0,0,0,0|2,0,0]=4 15271 B14R1.13 C=CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_200121576911 [0,2,0,0,0,0|2,0,0]=4 15272 B14R1.13 C=CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100000185746 [0,2,0,0,0,0|2,0,0]=4 15273 B14R1.13 C=CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_200121576911 [0,2,0,0,0,0|2,0,0]=4 15274 B14R1.13 C=CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100000185746 [0,2,0,0,0,0|2,0,0]=4 15275 B14R1.13 C=CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_200121576911 [0,2,0,0,0,0|2,0,0]=4 15276 B14R1.13 C=CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_200121576911 [0,2,0,0,0,0|2,0,0]=4 15277 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100000210414_100011713682 [0,2,0,0,0,0|1,0,0]=3 15278 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_100000210202 [0,2,0,0,0,0|1,0,0]=3 15279 B14R1.13 CCC(=O)CCCc1ccc(cc1)C 1458a_100000741418_100000210202 [0,2,0,0,0,0|1,0,0]=3 15280 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000210414_100000759440 [0,2,0,0,0,0|1,0,0]=3 15281 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_100000210202 [0,2,0,0,0,0|1,0,0]=3 15282 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100000210414_200011713563 [0,2,0,0,0,0|1,0,0]=3 15283 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100011219804_100000210202 [0,2,0,0,0,0|1,0,0]=3 15284 B14R1.13 CCC(=O)CCCc1ccc(cc1)I 1458a_100011236544_100000210202 [0,2,0,0,0,0|1,0,0]=3 15285 B14R1.13 CCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000210202 [0,2,0,0,0,0|1,0,0]=3 15286 B14R1.13 CCC(=O)CCOc1ccc(cc1)Br 1458a_100000210414_100000183278 [0,2,0,0,0,0|2,0,0]=4 15287 B14R1.13 CCC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_100000210202 [0,2,0,0,0,0|2,0,0]=4 15288 B14R1.13 CCC(=O)CCOc1ccc(cc1)C 1458a_100000182323_100000210202 [0,2,0,0,0,0|2,0,0]=4 15289 B14R1.13 CCC(=O)CCOc1ccc(cc1)C 1458a_100000210414_100000183172 [0,2,0,0,0,0|2,0,0]=4 15290 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_100000210202 [0,2,0,0,0,0|2,0,0]=4 15291 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000210414_100000184122 [0,2,0,0,0,0|2,0,0]=4 15292 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000210414_100000184936 [0,2,0,0,0,0|2,0,0]=4 15293 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000737396_100000210202 [0,2,0,0,0,0|2,0,0]=4 15294 B14R1.13 CCC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_100000210202 [0,2,0,0,0,0|2,0,0]=4 15295 B14R1.13 CCC(=O)CCSc1ccc(cc1)C 1458a_100000182377_100000210202 [0,2,0,0,0,0|2,0,0]=4 15296 B14R1.13 CCC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_100000210202 [0,2,0,0,0,0|2,0,0]=4 15297 B14R1.13 CCC(=O)CCSc1ccc(cc1)F 1458a_100000199091_100000210202 [0,2,0,0,0,0|2,0,0]=4 15298 B14R1.13 CCC(=O)COCc1ccc(cc1)Br 1458a_200012349173_100000210202 [0,2,0,0,0,0|2,0,0]=4 15299 B14R1.13 CCC(=O)COCc1ccc(cc1)Br 34a_100000725409_100000189115 [0,2,0,0,0,0|2,0,0]=4 15300 B14R1.13 CCC(=O)COCc1ccc(cc1)C 34a_100000725409_100000210814 [0,2,0,0,0,0|2,0,0]=4 15301 B14R1.13 CCC(=O)COCc1ccc(cc1)C 7a_100011215236_100000747405 [0,2,0,0,0,0|2,0,0]=4 15302 B14R1.13 CCC(=O)COCc1ccc(cc1)Cl 34a_100000725409_100000694040 [0,2,0,0,0,0|2,0,0]=4 15303 B14R1.13 CCC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747405 [0,2,0,0,0,0|2,0,0]=4 15304 B14R1.13 CCC(=O)COCc1ccc(cc1)F 34a_100000725409_100000198546 [0,2,0,0,0,0|2,0,0]=4 15305 B14R1.13 CCC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747405 [0,2,0,0,0,0|2,0,0]=4 15306 B14R1.13 CCC(=O)COCc1ccc(cc1)I 34a_100000725409_100000189116 [0,2,0,0,0,0|2,0,0]=4 15307 B14R1.13 CCC(=O)COCc1ccc(cc1)I 7a_100000690907_100000747405 [0,2,0,0,0,0|2,0,0]=4 15308 B14R1.13 CCC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_100000210202 [0,2,0,0,0,0|2,0,0]=4 15309 B14R1.13 CCC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747405 [0,2,0,0,0,0|2,0,0]=4 15310 B14R1.13 CCC(=O)CSCc1ccc(cc1)Br 62a_100000747405_100000189115 [0,2,0,0,0,0|2,0,0]=4 15311 B14R1.13 CCC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000747405 [0,2,0,0,0,0|2,0,0]=4 15312 B14R1.13 CCC(=O)CSCc1ccc(cc1)C 62a_100000747405_100000210814 [0,2,0,0,0,0|2,0,0]=4 15313 B14R1.13 CCC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_100000210202 [0,2,0,0,0,0|2,0,0]=4 15314 B14R1.13 CCC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747405 [0,2,0,0,0,0|2,0,0]=4 15315 B14R1.13 CCC(=O)CSCc1ccc(cc1)Cl 62a_100000747405_100000187161 [0,2,0,0,0,0|2,0,0]=4 15316 B14R1.13 CCC(=O)CSCc1ccc(cc1)F 1458a_100000150272_100000210202 [0,2,0,0,0,0|2,0,0]=4 15317 B14R1.13 CCC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747405 [0,2,0,0,0,0|2,0,0]=4 15318 B14R1.13 CCC(=O)CSCc1ccc(cc1)F 62a_100000747405_100000187164 [0,2,0,0,0,0|2,0,0]=4 15319 B14R1.13 CCC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747405 [0,2,0,0,0,0|2,0,0]=4 15320 B14R1.13 CCC(=O)CSCc1ccc(cc1)I 62a_100000747405_100000189116 [0,2,0,0,0,0|2,0,0]=4 15321 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100000210414 [0,2,0,0,0,0|2,0,0]=4 15322 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100000210414 [0,2,0,0,0,0|2,0,0]=4 15323 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100000210414 [0,2,0,0,0,0|2,0,0]=4 15324 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100000210414 [0,2,0,0,0,0|2,0,0]=4 15325 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 11a_100000705350_100000210414 [0,2,0,0,0,0|2,0,0]=4 15326 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100000210414 [0,2,0,0,0,0|2,0,0]=4 15327 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100000210414 [0,2,0,0,0,0|2,0,0]=4 15328 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 527a_100000705350_100000210414 [0,2,0,0,0,0|2,0,0]=4 15329 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100000210414 [0,2,0,0,0,0|2,0,0]=4 15330 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100000210414 [0,2,0,0,0,0|2,0,0]=4 15331 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100000210414 [0,2,0,0,0,0|2,0,0]=4 15332 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100000210414 [0,2,0,0,0,0|2,0,0]=4 15333 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 11a_100000199005_100000210414 [0,2,0,0,0,0|2,0,0]=4 15334 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100000210414 [0,2,0,0,0,0|2,0,0]=4 15335 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100000210414 [0,2,0,0,0,0|2,0,0]=4 15336 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 527a_100000199005_100000210414 [0,2,0,0,0,0|2,0,0]=4 15337 B14R1.13 CCC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100000210414 [0,2,0,0,0,0|2,0,0]=4 15338 B14R1.13 CCC(=O)NCCc1ccc(cc1)O 527a_100000743037_100000210414 [0,2,0,0,0,0|2,0,0]=4 15339 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 11a_106832991635_100011236545 [0,2,0,0,0,0|1,0,0]=3 15340 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 1626a_100102657272_100011236545 [0,2,0,0,0,0|1,0,0]=3 15341 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 240690a_100102657272_100011236545 [0,2,0,0,0,0|1,0,0]=3 15342 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 527a_100102657272_100011236545 [0,2,0,0,0,0|1,0,0]=3 15343 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 11a_106832991635_100000741418 [0,2,0,0,0,0|1,0,0]=3 15344 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 1626a_100102657272_100000741418 [0,2,0,0,0,0|1,0,0]=3 15345 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 240690a_100102657272_100000741418 [0,2,0,0,0,0|1,0,0]=3 15346 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 527a_100102657272_100000741418 [0,2,0,0,0,0|1,0,0]=3 15347 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 11a_106832991635_100000741339 [0,2,0,0,0,0|1,0,0]=3 15348 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 1626a_100102657272_100000741339 [0,2,0,0,0,0|1,0,0]=3 15349 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 240690a_100102657272_100000741339 [0,2,0,0,0,0|1,0,0]=3 15350 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 527a_100102657272_100000741339 [0,2,0,0,0,0|1,0,0]=3 15351 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 11a_106832991635_100011219804 [0,2,0,0,0,0|1,0,0]=3 15352 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 1626a_100102657272_100011219804 [0,2,0,0,0,0|1,0,0]=3 15353 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 240690a_100102657272_100011219804 [0,2,0,0,0,0|1,0,0]=3 15354 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 527a_100102657272_100011219804 [0,2,0,0,0,0|1,0,0]=3 15355 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 11a_106832991635_100011236544 [0,2,0,0,0,0|1,0,0]=3 15356 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 1626a_100102657272_100011236544 [0,2,0,0,0,0|1,0,0]=3 15357 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 240690a_100102657272_100011236544 [0,2,0,0,0,0|1,0,0]=3 15358 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 527a_100102657272_100011236544 [0,2,0,0,0,0|1,0,0]=3 15359 B14R1.13 CNC(=O)CCCc1ccc(cc1)O 240690a_100102657272_100000116853 [0,2,0,0,0,0|1,0,0]=3 15360 B14R1.13 CNC(=O)CCCc1ccc(cc1)O 527a_100102657272_100000116853 [0,2,0,0,0,0|1,0,0]=3 15361 B14R1.13 CNC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000737683 [0,2,0,0,0,0|2,0,0]=4 15362 B14R1.13 CNC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100012179268 [0,2,0,0,0,0|2,0,0]=4 15363 B14R1.13 CNC(=O)CCNc1ccc(cc1)C 34a_100000124888_100012179268 [0,2,0,0,0,0|2,0,0]=4 15364 B14R1.13 CNC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000737683 [0,2,0,0,0,0|2,0,0]=4 15365 B14R1.13 CNC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100012179268 [0,2,0,0,0,0|2,0,0]=4 15366 B14R1.13 CNC(=O)CCNc1ccc(cc1)F 34a_100000185862_100012179268 [0,2,0,0,0,0|2,0,0]=4 15367 B14R1.13 CNC(=O)CCNc1ccc(cc1)I 34a_100000185761_100012179268 [0,2,0,0,0,0|2,0,0]=4 15368 B14R1.13 CNC(=O)CCNc1ccc(cc1)O 34a_100000185829_100012179268 [0,2,0,0,0,0|2,0,0]=4 15369 B14R1.13 CNC(=O)CCOc1ccc(cc1)Br 240690a_100102657272_100000738328 [0,2,0,0,0,0|2,0,0]=4 15370 B14R1.13 CNC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100012179268 [0,2,0,0,0,0|2,0,0]=4 15371 B14R1.13 CNC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000737683 [0,2,0,0,0,0|2,0,0]=4 15372 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 11a_106832991635_100000182323 [0,2,0,0,0,0|2,0,0]=4 15373 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 1626a_100102657272_100000182323 [0,2,0,0,0,0|2,0,0]=4 15374 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 240690a_100102657272_100000182323 [0,2,0,0,0,0|2,0,0]=4 15375 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 34a_100000210336_100012179268 [0,2,0,0,0,0|2,0,0]=4 15376 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000737683 [0,2,0,0,0,0|2,0,0]=4 15377 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 11a_106832991635_100000186438 [0,2,0,0,0,0|2,0,0]=4 15378 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 1626a_100102657272_100000186438 [0,2,0,0,0,0|2,0,0]=4 15379 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 240690a_100102657272_100000186438 [0,2,0,0,0,0|2,0,0]=4 15380 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100012179268 [0,2,0,0,0,0|2,0,0]=4 15381 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000737683 [0,2,0,0,0,0|2,0,0]=4 15382 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 11a_106832991635_100000737396 [0,2,0,0,0,0|2,0,0]=4 15383 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 1626a_100102657272_100000737396 [0,2,0,0,0,0|2,0,0]=4 15384 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 240690a_100102657272_100000737396 [0,2,0,0,0,0|2,0,0]=4 15385 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 34a_100000210339_100012179268 [0,2,0,0,0,0|2,0,0]=4 15386 B14R1.13 CNC(=O)CCOc1ccc(cc1)I 34a_100000212066_100012179268 [0,2,0,0,0,0|2,0,0]=4 15387 B14R1.13 CNC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000737683 [0,2,0,0,0,0|2,0,0]=4 15388 B14R1.13 CNC(=O)CCOc1ccc(cc1)N 34a_100000185829_100012179268 [0,2,0,0,0,0|2,0,0]=4 15389 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 11a_106832991635_100000208627 [0,2,0,0,0,0|2,0,0]=4 15390 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 240690a_100102657272_100000208627 [0,2,0,0,0,0|2,0,0]=4 15391 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 527a_100102657272_100000208627 [0,2,0,0,0,0|2,0,0]=4 15392 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 62a_100000737683_100000752885 [0,2,0,0,0,0|2,0,0]=4 15393 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000737683 [0,2,0,0,0,0|2,0,0]=4 15394 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 11a_106832991635_100000182377 [0,2,0,0,0,0|2,0,0]=4 15395 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 1626a_100102657272_100000182377 [0,2,0,0,0,0|2,0,0]=4 15396 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 240690a_100102657272_100000182377 [0,2,0,0,0,0|2,0,0]=4 15397 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000737683 [0,2,0,0,0,0|2,0,0]=4 15398 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 62a_100000737683_100000186775 [0,2,0,0,0,0|2,0,0]=4 15399 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 11a_106832991635_100000182369 [0,2,0,0,0,0|2,0,0]=4 15400 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 1626a_100102657272_100000182369 [0,2,0,0,0,0|2,0,0]=4 15401 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 240690a_100102657272_100000182369 [0,2,0,0,0,0|2,0,0]=4 15402 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 527a_100102657272_100000182369 [0,2,0,0,0,0|2,0,0]=4 15403 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 62a_100000737683_100000755918 [0,2,0,0,0,0|2,0,0]=4 15404 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000737683 [0,2,0,0,0,0|2,0,0]=4 15405 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 11a_106832991635_100000199091 [0,2,0,0,0,0|2,0,0]=4 15406 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 1626a_100102657272_100000199091 [0,2,0,0,0,0|2,0,0]=4 15407 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 240690a_100102657272_100000199091 [0,2,0,0,0,0|2,0,0]=4 15408 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 527a_100102657272_100000199091 [0,2,0,0,0,0|2,0,0]=4 15409 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000737683 [0,2,0,0,0,0|2,0,0]=4 15410 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 62a_100000737683_100000211213 [0,2,0,0,0,0|2,0,0]=4 15411 B14R1.13 CNC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000737683 [0,2,0,0,0,0|2,0,0]=4 15412 B14R1.13 CNC(=O)CCSc1ccc(cc1)N 62a_100000737683_100000185761 [0,2,0,0,0,0|2,0,0]=4 15413 B14R1.13 CNC(=O)CCSc1ccc(cc1)O 62a_100000737683_100000185759 [0,2,0,0,0,0|2,0,0]=4 15414 B14R1.13 CNC(=O)CNCc1ccc(cc1)Br 207a_100000693194_100000186029 [0,2,0,0,0,0|2,0,0]=4 15415 B14R1.13 CNC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000183359 [0,2,0,0,0,0|2,0,0]=4 15416 B14R1.13 CNC(=O)CNCc1ccc(cc1)Br 2230a_100000693194_100011217064 [0,2,0,0,0,0|2,0,0]=4 15417 B14R1.13 CNC(=O)CNCc1ccc(cc1)Br 270004a_100000693194_100000186029 [0,2,0,0,0,0|2,0,0]=4 15418 B14R1.13 CNC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000183359 [0,2,0,0,0,0|2,0,0]=4 15419 B14R1.13 CNC(=O)CNCc1ccc(cc1)C 207a_100000693194_100000211033 [0,2,0,0,0,0|2,0,0]=4 15420 B14R1.13 CNC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000183359 [0,2,0,0,0,0|2,0,0]=4 15421 B14R1.13 CNC(=O)CNCc1ccc(cc1)C 2230a_100000693194_100000210814 [0,2,0,0,0,0|2,0,0]=4 15422 B14R1.13 CNC(=O)CNCc1ccc(cc1)C 270004a_100000693194_100000211033 [0,2,0,0,0,0|2,0,0]=4 15423 B14R1.13 CNC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000183359 [0,2,0,0,0,0|2,0,0]=4 15424 B14R1.13 CNC(=O)CNCc1ccc(cc1)Cl 207a_100000693194_100000189385 [0,2,0,0,0,0|2,0,0]=4 15425 B14R1.13 CNC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000183359 [0,2,0,0,0,0|2,0,0]=4 15426 B14R1.13 CNC(=O)CNCc1ccc(cc1)Cl 2230a_100000693194_100000694040 [0,2,0,0,0,0|2,0,0]=4 15427 B14R1.13 CNC(=O)CNCc1ccc(cc1)Cl 270004a_100000693194_100000189385 [0,2,0,0,0,0|2,0,0]=4 15428 B14R1.13 CNC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000183359 [0,2,0,0,0,0|2,0,0]=4 15429 B14R1.13 CNC(=O)CNCc1ccc(cc1)F 207a_100000693194_100000210084 [0,2,0,0,0,0|2,0,0]=4 15430 B14R1.13 CNC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000183359 [0,2,0,0,0,0|2,0,0]=4 15431 B14R1.13 CNC(=O)CNCc1ccc(cc1)F 2230a_100000693194_100000198546 [0,2,0,0,0,0|2,0,0]=4 15432 B14R1.13 CNC(=O)CNCc1ccc(cc1)F 270004a_100000693194_100000210084 [0,2,0,0,0,0|2,0,0]=4 15433 B14R1.13 CNC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000183359 [0,2,0,0,0,0|2,0,0]=4 15434 B14R1.13 CNC(=O)CNCc1ccc(cc1)I 207a_100000693194_100000188517 [0,2,0,0,0,0|2,0,0]=4 15435 B14R1.13 CNC(=O)CNCc1ccc(cc1)I 2230a_100000693194_100000189116 [0,2,0,0,0,0|2,0,0]=4 15436 B14R1.13 CNC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000183359 [0,2,0,0,0,0|2,0,0]=4 15437 B14R1.13 CNC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000183359 [0,2,0,0,0,0|2,0,0]=4 15438 B14R1.13 CNC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000183359 [0,2,0,0,0,0|2,0,0]=4 15439 B14R1.13 CNC(=O)COCc1ccc(cc1)Br 11a_106832991635_200012349173 [0,2,0,0,0,0|2,0,0]=4 15440 B14R1.13 CNC(=O)COCc1ccc(cc1)Br 1626a_100102657272_200012349173 [0,2,0,0,0,0|2,0,0]=4 15441 B14R1.13 CNC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000183359 [0,2,0,0,0,0|2,0,0]=4 15442 B14R1.13 CNC(=O)COCc1ccc(cc1)Br 34a_100000750040_100000189115 [0,2,0,0,0,0|2,0,0]=4 15443 B14R1.13 CNC(=O)COCc1ccc(cc1)Br 527a_100102657272_200012349173 [0,2,0,0,0,0|2,0,0]=4 15444 B14R1.13 CNC(=O)COCc1ccc(cc1)C 34a_100000750040_100000210814 [0,2,0,0,0,0|2,0,0]=4 15445 B14R1.13 CNC(=O)COCc1ccc(cc1)C 34a_100011215236_100000183359 [0,2,0,0,0,0|2,0,0]=4 15446 B14R1.13 CNC(=O)COCc1ccc(cc1)C 7a_100011215236_100000183359 [0,2,0,0,0,0|2,0,0]=4 15447 B14R1.13 CNC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000183359 [0,2,0,0,0,0|2,0,0]=4 15448 B14R1.13 CNC(=O)COCc1ccc(cc1)Cl 34a_100000750040_100000694040 [0,2,0,0,0,0|2,0,0]=4 15449 B14R1.13 CNC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000183359 [0,2,0,0,0,0|2,0,0]=4 15450 B14R1.13 CNC(=O)COCc1ccc(cc1)F 34a_100000210977_100000183359 [0,2,0,0,0,0|2,0,0]=4 15451 B14R1.13 CNC(=O)COCc1ccc(cc1)F 34a_100000750040_100000198546 [0,2,0,0,0,0|2,0,0]=4 15452 B14R1.13 CNC(=O)COCc1ccc(cc1)F 7a_100000210977_100000183359 [0,2,0,0,0,0|2,0,0]=4 15453 B14R1.13 CNC(=O)COCc1ccc(cc1)I 34a_100000690907_100000183359 [0,2,0,0,0,0|2,0,0]=4 15454 B14R1.13 CNC(=O)COCc1ccc(cc1)I 34a_100000750040_100000189116 [0,2,0,0,0,0|2,0,0]=4 15455 B14R1.13 CNC(=O)COCc1ccc(cc1)I 7a_100000690907_100000183359 [0,2,0,0,0,0|2,0,0]=4 15456 B14R1.13 CNC(=O)COCc1ccc(cc1)N 34a_100011215238_100000183359 [0,2,0,0,0,0|2,0,0]=4 15457 B14R1.13 CNC(=O)CSCc1ccc(cc1)Br 11a_106832991635_100000150267 [0,2,0,0,0,0|2,0,0]=4 15458 B14R1.13 CNC(=O)CSCc1ccc(cc1)Br 1626a_100102657272_100000150267 [0,2,0,0,0,0|2,0,0]=4 15459 B14R1.13 CNC(=O)CSCc1ccc(cc1)Br 240690a_100102657272_100000150267 [0,2,0,0,0,0|2,0,0]=4 15460 B14R1.13 CNC(=O)CSCc1ccc(cc1)Br 527a_100102657272_100000150267 [0,2,0,0,0,0|2,0,0]=4 15461 B14R1.13 CNC(=O)CSCc1ccc(cc1)Br 62a_100000183359_100000189115 [0,2,0,0,0,0|2,0,0]=4 15462 B14R1.13 CNC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000183359 [0,2,0,0,0,0|2,0,0]=4 15463 B14R1.13 CNC(=O)CSCc1ccc(cc1)C 62a_100000183359_100000210814 [0,2,0,0,0,0|2,0,0]=4 15464 B14R1.13 CNC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000183359 [0,2,0,0,0,0|2,0,0]=4 15465 B14R1.13 CNC(=O)CSCc1ccc(cc1)Cl 11a_106832991635_100000150262 [0,2,0,0,0,0|2,0,0]=4 15466 B14R1.13 CNC(=O)CSCc1ccc(cc1)Cl 1626a_100102657272_100000150262 [0,2,0,0,0,0|2,0,0]=4 15467 B14R1.13 CNC(=O)CSCc1ccc(cc1)Cl 240690a_100102657272_100000150262 [0,2,0,0,0,0|2,0,0]=4 15468 B14R1.13 CNC(=O)CSCc1ccc(cc1)Cl 527a_100102657272_100000150262 [0,2,0,0,0,0|2,0,0]=4 15469 B14R1.13 CNC(=O)CSCc1ccc(cc1)Cl 62a_100000183359_100000187161 [0,2,0,0,0,0|2,0,0]=4 15470 B14R1.13 CNC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000183359 [0,2,0,0,0,0|2,0,0]=4 15471 B14R1.13 CNC(=O)CSCc1ccc(cc1)F 11a_106832991635_100000150272 [0,2,0,0,0,0|2,0,0]=4 15472 B14R1.13 CNC(=O)CSCc1ccc(cc1)F 1626a_100102657272_100000150272 [0,2,0,0,0,0|2,0,0]=4 15473 B14R1.13 CNC(=O)CSCc1ccc(cc1)F 240690a_100102657272_100000150272 [0,2,0,0,0,0|2,0,0]=4 15474 B14R1.13 CNC(=O)CSCc1ccc(cc1)F 527a_100102657272_100000150272 [0,2,0,0,0,0|2,0,0]=4 15475 B14R1.13 CNC(=O)CSCc1ccc(cc1)F 62a_100000183359_100000187164 [0,2,0,0,0,0|2,0,0]=4 15476 B14R1.13 CNC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000183359 [0,2,0,0,0,0|2,0,0]=4 15477 B14R1.13 CNC(=O)CSCc1ccc(cc1)I 62a_100000183359_100000189116 [0,2,0,0,0,0|2,0,0]=4 15478 B14R1.13 CNC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000183359 [0,2,0,0,0,0|2,0,0]=4 15479 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 2708a_100000755846_106832991635 [0,2,0,0,0,0|2,0,0]=4 15480 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 2708a_100102657272_100000755846 [0,2,0,0,0,0|2,0,0]=4 15481 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 273464a_100000755846_100102657272 [0,2,0,0,0,0|2,0,0]=4 15482 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 273464a_100102657272_100000755846 [0,2,0,0,0,0|2,0,0]=4 15483 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 512a_100000755846_100102657272 [0,2,0,0,0,0|2,0,0]=4 15484 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 512a_106832991638_100000755846 [0,2,0,0,0,0|2,0,0]=4 15485 B14R1.13 CNC(=O)NCCc1ccc(cc1)C 2708a_100000705350_106832991635 [0,2,0,0,0,0|2,0,0]=4 15486 B14R1.13 CNC(=O)NCCc1ccc(cc1)C 2708a_100102657272_100000705350 [0,2,0,0,0,0|2,0,0]=4 15487 B14R1.13 CNC(=O)NCCc1ccc(cc1)C 273464a_100000705350_100102657272 [0,2,0,0,0,0|2,0,0]=4 15488 B14R1.13 CNC(=O)NCCc1ccc(cc1)C 273464a_100102657272_100000705350 [0,2,0,0,0,0|2,0,0]=4 15489 B14R1.13 CNC(=O)NCCc1ccc(cc1)C 512a_100000705350_100102657272 [0,2,0,0,0,0|2,0,0]=4 15490 B14R1.13 CNC(=O)NCCc1ccc(cc1)C 512a_106832991638_100000705350 [0,2,0,0,0,0|2,0,0]=4 15491 B14R1.13 CNC(=O)NCCc1ccc(cc1)Cl 2708a_100000185265_106832991635 [0,2,0,0,0,0|2,0,0]=4 15492 B14R1.13 CNC(=O)NCCc1ccc(cc1)Cl 2708a_100102657272_100000185265 [0,2,0,0,0,0|2,0,0]=4 15493 B14R1.13 CNC(=O)NCCc1ccc(cc1)Cl 273464a_100000185265_100102657272 [0,2,0,0,0,0|2,0,0]=4 15494 B14R1.13 CNC(=O)NCCc1ccc(cc1)Cl 273464a_100102657272_100000185265 [0,2,0,0,0,0|2,0,0]=4 15495 B14R1.13 CNC(=O)NCCc1ccc(cc1)Cl 512a_100000185265_100102657272 [0,2,0,0,0,0|2,0,0]=4 15496 B14R1.13 CNC(=O)NCCc1ccc(cc1)Cl 512a_106832991638_100000185265 [0,2,0,0,0,0|2,0,0]=4 15497 B14R1.13 CNC(=O)NCCc1ccc(cc1)F 2708a_100000199005_106832991635 [0,2,0,0,0,0|2,0,0]=4 15498 B14R1.13 CNC(=O)NCCc1ccc(cc1)F 2708a_100102657272_100000199005 [0,2,0,0,0,0|2,0,0]=4 15499 B14R1.13 CNC(=O)NCCc1ccc(cc1)F 273464a_100000199005_100102657272 [0,2,0,0,0,0|2,0,0]=4 15500 B14R1.13 CNC(=O)NCCc1ccc(cc1)F 273464a_100102657272_100000199005 [0,2,0,0,0,0|2,0,0]=4 15501 B14R1.13 CNC(=O)NCCc1ccc(cc1)F 512a_100000199005_100102657272 [0,2,0,0,0,0|2,0,0]=4 15502 B14R1.13 CNC(=O)NCCc1ccc(cc1)F 512a_106832991638_100000199005 [0,2,0,0,0,0|2,0,0]=4 15503 B14R1.13 CNC(=O)NCCc1ccc(cc1)O 2708a_100000743037_106832991635 [0,2,0,0,0,0|2,0,0]=4 15504 B14R1.13 CNC(=O)NCCc1ccc(cc1)O 2708a_100102657272_100000743037 [0,2,0,0,0,0|2,0,0]=4 15505 B14R1.13 CNC(=O)NCCc1ccc(cc1)O 273464a_100000743037_100102657272 [0,2,0,0,0,0|2,0,0]=4 15506 B14R1.13 CNC(=O)NCCc1ccc(cc1)O 273464a_100102657272_100000743037 [0,2,0,0,0,0|2,0,0]=4 15507 B14R1.13 CNC(=O)NCCc1ccc(cc1)O 512a_106832991638_100000743037 [0,2,0,0,0,0|2,0,0]=4 15508 B14R1.13 COC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010209878 [0,2,0,0,0,0|0,0,0]=2 15509 B14R1.13 COC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000204255 [0,2,0,0,0,0|1,0,0]=3 15510 B14R1.13 COC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000742370 [0,2,0,0,0,0|1,0,0]=3 15511 B14R1.13 COC(=O)CCNc1ccc(cc1)C 34a_100000124888_100000742370 [0,2,0,0,0,0|1,0,0]=3 15512 B14R1.13 COC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000204255 [0,2,0,0,0,0|1,0,0]=3 15513 B14R1.13 COC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000742370 [0,2,0,0,0,0|1,0,0]=3 15514 B14R1.13 COC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000742370 [0,2,0,0,0,0|1,0,0]=3 15515 B14R1.13 COC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000742370 [0,2,0,0,0,0|1,0,0]=3 15516 B14R1.13 COC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000742370 [0,2,0,0,0,0|1,0,0]=3 15517 B14R1.13 COC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000742370 [0,2,0,0,0,0|2,0,0]=4 15518 B14R1.13 COC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000742370 [0,2,0,0,0,0|1,0,0]=3 15519 B14R1.13 COC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000204255 [0,2,0,0,0,0|1,0,0]=3 15520 B14R1.13 COC(=O)CCOc1ccc(cc1)C 34a_100000210336_100000742370 [0,2,0,0,0,0|1,0,0]=3 15521 B14R1.13 COC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000204255 [0,2,0,0,0,0|1,0,0]=3 15522 B14R1.13 COC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000742370 [0,2,0,0,0,0|1,0,0]=3 15523 B14R1.13 COC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000204255 [0,2,0,0,0,0|1,0,0]=3 15524 B14R1.13 COC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000742370 [0,2,0,0,0,0|1,0,0]=3 15525 B14R1.13 COC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000742370 [0,2,0,0,0,0|1,0,0]=3 15526 B14R1.13 COC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000204255 [0,2,0,0,0,0|1,0,0]=3 15527 B14R1.13 COC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000742370 [0,2,0,0,0,0|1,0,0]=3 15528 B14R1.13 COC(=O)CCOc1ccc(cn1)C 34a_100000759353_100000742370 [0,2,0,0,0,0|2,0,0]=4 15529 B14R1.13 COC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100000742370 [0,2,0,0,0,0|2,0,0]=4 15530 B14R1.13 COC(=O)CCOc1ccc(cn1)F 34a_100000742473_100000742370 [0,2,0,0,0,0|2,0,0]=4 15531 B14R1.13 COC(=O)CCOc1ccc(cn1)N 34a_100000729260_100000742370 [0,2,0,0,0,0|2,0,0]=4 15532 B14R1.13 COC(=O)CCOc1ccc(nc1)Br 34a_100000685995_100000742370 [0,2,0,0,0,0|2,0,0]=4 15533 B14R1.13 COC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000204255 [0,2,0,0,0,0|2,0,0]=4 15534 B14R1.13 COC(=O)CCOc1ccc(nc1)C 34a_100000745506_100000742370 [0,2,0,0,0,0|2,0,0]=4 15535 B14R1.13 COC(=O)CCOc1ccc(nc1)C 7a_100000745506_100000204255 [0,2,0,0,0,0|2,0,0]=4 15536 B14R1.13 COC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100000742370 [0,2,0,0,0,0|2,0,0]=4 15537 B14R1.13 COC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000204255 [0,2,0,0,0,0|2,0,0]=4 15538 B14R1.13 COC(=O)CCOc1ccc(nc1)F 34a_100000688820_100000742370 [0,2,0,0,0,0|2,0,0]=4 15539 B14R1.13 COC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000204255 [0,2,0,0,0,0|2,0,0]=4 15540 B14R1.13 COC(=O)CCOc1ccc(nc1)I 34a_100000687607_100000742370 [0,2,0,0,0,0|2,0,0]=4 15541 B14R1.13 COC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000204255 [0,2,0,0,0,0|2,0,0]=4 15542 B14R1.13 COC(=O)CCOc1ccc(nc1)N 34a_100015188713_100000742370 [0,2,0,0,0,0|2,0,0]=4 15543 B14R1.13 COC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000204255 [0,2,0,0,0,0|2,0,0]=4 15544 B14R1.13 COC(=O)CCSc1cc[n+](cc1)[O-] 62a_100000204255_100000039755 [0,2,0,0,0,0|2,0,0]=4 15545 B14R1.13 COC(=O)CCSc1ccc(=O)[nH]c1 62a_100000204255_100000212171 [0,2,0,0,0,0|2,0,0]=4 15546 B14R1.13 COC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000204255 [0,2,0,0,0,0|2,0,0]=4 15547 B14R1.13 COC(=O)CCSc1ccc(cc1)Br 62a_100000204255_100000752885 [0,2,0,0,0,0|1,0,0]=3 15548 B14R1.13 COC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000204255 [0,2,0,0,0,0|1,0,0]=3 15549 B14R1.13 COC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000204255 [0,2,0,0,0,0|1,0,0]=3 15550 B14R1.13 COC(=O)CCSc1ccc(cc1)C 62a_100000204255_100000186775 [0,2,0,0,0,0|1,0,0]=3 15551 B14R1.13 COC(=O)CCSc1ccc(cc1)Cl 62a_100000204255_100000755918 [0,2,0,0,0,0|1,0,0]=3 15552 B14R1.13 COC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000204255 [0,2,0,0,0,0|1,0,0]=3 15553 B14R1.13 COC(=O)CCSc1ccc(cc1)F 62a_100000204255_100000211213 [0,2,0,0,0,0|1,0,0]=3 15554 B14R1.13 COC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000204255 [0,2,0,0,0,0|1,0,0]=3 15555 B14R1.13 COC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000204255 [0,2,0,0,0,0|1,0,0]=3 15556 B14R1.13 COC(=O)CCSc1ccc(cc1)N 62a_100000204255_100000185761 [0,2,0,0,0,0|1,0,0]=3 15557 B14R1.13 COC(=O)CCSc1ccc(cc1)O 62a_100000204255_100000185759 [0,2,0,0,0,0|1,0,0]=3 15558 B14R1.13 COC(=O)CCSc1ccc(cn1)Br 62a_100000204255_100000686858 [0,2,0,0,0,0|2,0,0]=4 15559 B14R1.13 COC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000204255 [0,2,0,0,0,0|2,0,0]=4 15560 B14R1.13 COC(=O)CCSc1ccc(cn1)C 62a_100000204255_100000754016 [0,2,0,0,0,0|2,0,0]=4 15561 B14R1.13 COC(=O)CCSc1ccc(cn1)C 62a_100011192072_100000204255 [0,2,0,0,0,0|2,0,0]=4 15562 B14R1.13 COC(=O)CCSc1ccc(cn1)Cl 62a_100000204255_100011356976 [0,2,0,0,0,0|2,0,0]=4 15563 B14R1.13 COC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000204255 [0,2,0,0,0,0|2,0,0]=4 15564 B14R1.13 COC(=O)CCSc1ccc(cn1)F 62a_100000204255_100000744514 [0,2,0,0,0,0|2,0,0]=4 15565 B14R1.13 COC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000204255 [0,2,0,0,0,0|2,0,0]=4 15566 B14R1.13 COC(=O)CCSc1ccc(cn1)N 62a_100000204255_100000737798 [0,2,0,0,0,0|2,0,0]=4 15567 B14R1.13 COC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000204255 [0,2,0,0,0,0|2,0,0]=4 15568 B14R1.13 COC(=O)CCSc1ccc(cn1)O 62a_100000204255_100000744096 [0,2,0,0,0,0|2,0,0]=4 15569 B14R1.13 COC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000204255 [0,2,0,0,0,0|2,0,0]=4 15570 B14R1.13 COC(=O)CCSc1ccc(nc1)Br 62a_100000204255_100009814638 [0,2,0,0,0,0|2,0,0]=4 15571 B14R1.13 COC(=O)CCSc1ccc(nc1)Br 62a_100009814638_100000204255 [0,2,0,0,0,0|2,0,0]=4 15572 B14R1.13 COC(=O)CCSc1ccc(nc1)C 62a_100000204255_100000751577 [0,2,0,0,0,0|2,0,0]=4 15573 B14R1.13 COC(=O)CCSc1ccc(nc1)C 62a_100000751577_100000204255 [0,2,0,0,0,0|2,0,0]=4 15574 B14R1.13 COC(=O)CCSc1ccc(nc1)Cl 62a_100000034144_100000204255 [0,2,0,0,0,0|2,0,0]=4 15575 B14R1.13 COC(=O)CCSc1ccc(nc1)Cl 62a_100000204255_100000034144 [0,2,0,0,0,0|2,0,0]=4 15576 B14R1.13 COC(=O)CCSc1ccc(nc1)F 62a_100000042367_100000204255 [0,2,0,0,0,0|2,0,0]=4 15577 B14R1.13 COC(=O)CCSc1ccc(nc1)F 62a_100000204255_100000042367 [0,2,0,0,0,0|2,0,0]=4 15578 B14R1.13 COC(=O)CCSc1ccc(nc1)N 62a_100000187370_100000204255 [0,2,0,0,0,0|2,0,0]=4 15579 B14R1.13 COC(=O)CCSc1ccc(nc1)N 62a_100000204255_100000187370 [0,2,0,0,0,0|2,0,0]=4 15580 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747449 [0,2,0,0,0,0|1,0,0]=3 15581 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000747449 [0,2,0,0,0,0|1,0,0]=3 15582 B14R1.13 COC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000747449 [0,2,0,0,0,0|1,0,0]=3 15583 B14R1.13 COC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000747449 [0,2,0,0,0,0|1,0,0]=3 15584 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747449 [0,2,0,0,0,0|1,0,0]=3 15585 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000747449 [0,2,0,0,0,0|1,0,0]=3 15586 B14R1.13 COC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747449 [0,2,0,0,0,0|1,0,0]=3 15587 B14R1.13 COC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000747449 [0,2,0,0,0,0|1,0,0]=3 15588 B14R1.13 COC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747449 [0,2,0,0,0,0|1,0,0]=3 15589 B14R1.13 COC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000747449 [0,2,0,0,0,0|1,0,0]=3 15590 B14R1.13 COC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000747449 [0,2,0,0,0,0|1,0,0]=3 15591 B14R1.13 COC(=O)CNCc1ccc(cn1)Br 34a_100015188789_100000747449 [0,2,0,0,0,0|2,0,0]=4 15592 B14R1.13 COC(=O)CNCc1ccc(cn1)C 34a_100015187455_100000747449 [0,2,0,0,0,0|2,0,0]=4 15593 B14R1.13 COC(=O)CNCc1ccc(cn1)Cl 34a_100000697193_100000747449 [0,2,0,0,0,0|2,0,0]=4 15594 B14R1.13 COC(=O)CNCc1ccc(cn1)F 34a_100020620131_100000747449 [0,2,0,0,0,0|2,0,0]=4 15595 B14R1.13 COC(=O)CNCc1ccc(nc1)Br 2230a_100009817727_100000747449 [0,2,0,0,0,0|2,0,0]=4 15596 B14R1.13 COC(=O)CNCc1ccc(nc1)Br 34a_100009817727_100000747449 [0,2,0,0,0,0|2,0,0]=4 15597 B14R1.13 COC(=O)CNCc1ccc(nc1)C 34a_100000740942_100000747449 [0,2,0,0,0,0|2,0,0]=4 15598 B14R1.13 COC(=O)CNCc1ccc(nc1)Cl 2230a_100000735879_100000747449 [0,2,0,0,0,0|2,0,0]=4 15599 B14R1.13 COC(=O)CNCc1ccc(nc1)Cl 34a_100000735879_100000747449 [0,2,0,0,0,0|2,0,0]=4 15600 B14R1.13 COC(=O)CNCc1ccc(nc1)F 2230a_100000101913_100000747449 [0,2,0,0,0,0|2,0,0]=4 15601 B14R1.13 COC(=O)CNCc1ccc(nc1)F 34a_100000101913_100000747449 [0,2,0,0,0,0|2,0,0]=4 15602 B14R1.13 COC(=O)CNCc1ccc(nc1)O 2230a_100000757128_100000747449 [0,2,0,0,0,0|2,0,0]=4 15603 B14R1.13 COC(=O)COCc1cc[n+](cc1)C 34a_100009831711_100000747449 [0,2,0,0,0,0|2,0,0]=4 15604 B14R1.13 COC(=O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000747449 [0,2,0,0,0,0|2,0,0]=4 15605 B14R1.13 COC(=O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000747449 [0,2,0,0,0,0|2,0,0]=4 15606 B14R1.13 COC(=O)COCc1ccc(=O)[nH]c1 34a_100011999846_100000747449 [0,2,0,0,0,0|2,0,0]=4 15607 B14R1.13 COC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000747449 [0,2,0,0,0,0|1,0,0]=3 15608 B14R1.13 COC(=O)COCc1ccc(cc1)C 34a_100011215236_100000747449 [0,2,0,0,0,0|1,0,0]=3 15609 B14R1.13 COC(=O)COCc1ccc(cc1)C 7a_100011215236_100000747449 [0,2,0,0,0,0|1,0,0]=3 15610 B14R1.13 COC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000747449 [0,2,0,0,0,0|1,0,0]=3 15611 B14R1.13 COC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747449 [0,2,0,0,0,0|1,0,0]=3 15612 B14R1.13 COC(=O)COCc1ccc(cc1)F 34a_100000210977_100000747449 [0,2,0,0,0,0|1,0,0]=3 15613 B14R1.13 COC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747449 [0,2,0,0,0,0|1,0,0]=3 15614 B14R1.13 COC(=O)COCc1ccc(cc1)I 34a_100000690907_100000747449 [0,2,0,0,0,0|1,0,0]=3 15615 B14R1.13 COC(=O)COCc1ccc(cc1)I 7a_100000690907_100000747449 [0,2,0,0,0,0|1,0,0]=3 15616 B14R1.13 COC(=O)COCc1ccc(cc1)N 34a_100011215238_100000747449 [0,2,0,0,0,0|1,0,0]=3 15617 B14R1.13 COC(=O)COCc1ccc(cn1)Br 34a_100000754261_100000747449 [0,2,0,0,0,0|2,0,0]=4 15618 B14R1.13 COC(=O)COCc1ccc(cn1)C 34a_100012001401_100000747449 [0,2,0,0,0,0|2,0,0]=4 15619 B14R1.13 COC(=O)COCc1ccc(cn1)Cl 34a_100000703999_100000747449 [0,2,0,0,0,0|2,0,0]=4 15620 B14R1.13 COC(=O)COCc1ccc(cn1)F 34a_100011999454_100000747449 [0,2,0,0,0,0|2,0,0]=4 15621 B14R1.13 COC(=O)COCc1ccc(cn1)N 34a_100011998161_100000747449 [0,2,0,0,0,0|2,0,0]=4 15622 B14R1.13 COC(=O)COCc1ccc(nc1)Br 34a_100009816760_100000747449 [0,2,0,0,0,0|2,0,0]=4 15623 B14R1.13 COC(=O)COCc1ccc(nc1)Br 7a_100009816760_100000747449 [0,2,0,0,0,0|2,0,0]=4 15624 B14R1.13 COC(=O)COCc1ccc(nc1)C 34a_100011248133_100000747449 [0,2,0,0,0,0|2,0,0]=4 15625 B14R1.13 COC(=O)COCc1ccc(nc1)Cl 34a_100000755211_100000747449 [0,2,0,0,0,0|2,0,0]=4 15626 B14R1.13 COC(=O)COCc1ccc(nc1)Cl 7a_100000755211_100000747449 [0,2,0,0,0,0|2,0,0]=4 15627 B14R1.13 COC(=O)COCc1ccc(nc1)F 34a_100000079959_100000747449 [0,2,0,0,0,0|2,0,0]=4 15628 B14R1.13 COC(=O)COCc1ccc(nc1)N 34a_100000704267_100000747449 [0,2,0,0,0,0|2,0,0]=4 15629 B14R1.13 COC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747449 [0,2,0,0,0,0|1,0,0]=3 15630 B14R1.13 COC(=O)CSCc1ccc(cc1)Br 62a_100000747449_100000189115 [0,2,0,0,0,0|1,0,0]=3 15631 B14R1.13 COC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000747449 [0,2,0,0,0,0|1,0,0]=3 15632 B14R1.13 COC(=O)CSCc1ccc(cc1)C 62a_100000747449_100000210814 [0,2,0,0,0,0|1,0,0]=3 15633 B14R1.13 COC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747449 [0,2,0,0,0,0|1,0,0]=3 15634 B14R1.13 COC(=O)CSCc1ccc(cc1)Cl 62a_100000747449_100000187161 [0,2,0,0,0,0|1,0,0]=3 15635 B14R1.13 COC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747449 [0,2,0,0,0,0|1,0,0]=3 15636 B14R1.13 COC(=O)CSCc1ccc(cc1)F 62a_100000747449_100000187164 [0,2,0,0,0,0|1,0,0]=3 15637 B14R1.13 COC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747449 [0,2,0,0,0,0|1,0,0]=3 15638 B14R1.13 COC(=O)CSCc1ccc(cc1)I 62a_100000747449_100000189116 [0,2,0,0,0,0|1,0,0]=3 15639 B14R1.13 COC(=O)CSCc1ccc(cn1)Br 62a_100000702658_100000747449 [0,2,0,0,0,0|2,0,0]=4 15640 B14R1.13 COC(=O)CSCc1ccc(cn1)Br 62a_100000747449_100000702658 [0,2,0,0,0,0|2,0,0]=4 15641 B14R1.13 COC(=O)CSCc1ccc(cn1)C 62a_100000691093_100000747449 [0,2,0,0,0,0|2,0,0]=4 15642 B14R1.13 COC(=O)CSCc1ccc(cn1)C 62a_100000747449_100000691093 [0,2,0,0,0,0|2,0,0]=4 15643 B14R1.13 COC(=O)CSCc1ccc(cn1)Cl 62a_100000747449_100000697101 [0,2,0,0,0,0|2,0,0]=4 15644 B14R1.13 COC(=O)CSCc1ccc(cn1)Cl 62a_100012066911_100000747449 [0,2,0,0,0,0|2,0,0]=4 15645 B14R1.13 COC(=O)CSCc1ccc(cn1)F 62a_100000703193_100000747449 [0,2,0,0,0,0|2,0,0]=4 15646 B14R1.13 COC(=O)CSCc1ccc(cn1)F 62a_100000747449_100000703193 [0,2,0,0,0,0|2,0,0]=4 15647 B14R1.13 COC(=O)CSCc1ccc(nc1)Br 62a_100000747449_100009831999 [0,2,0,0,0,0|2,0,0]=4 15648 B14R1.13 COC(=O)CSCc1ccc(nc1)Br 62a_100009831999_100000747449 [0,2,0,0,0,0|2,0,0]=4 15649 B14R1.13 COC(=O)CSCc1ccc(nc1)C 62a_100000747449_100016987292 [0,2,0,0,0,0|2,0,0]=4 15650 B14R1.13 COC(=O)CSCc1ccc(nc1)C 62a_100016987292_100000747449 [0,2,0,0,0,0|2,0,0]=4 15651 B14R1.13 COC(=O)CSCc1ccc(nc1)Cl 62a_100000735431_100000747449 [0,2,0,0,0,0|2,0,0]=4 15652 B14R1.13 COC(=O)CSCc1ccc(nc1)Cl 62a_100000747449_100000735431 [0,2,0,0,0,0|2,0,0]=4 15653 B14R1.13 COC(=O)CSCc1ccc(nc1)F 62a_100000747449_100000099788 [0,2,0,0,0,0|2,0,0]=4 15654 B14R1.13 COC(=O)CSCc1ccc(nc1)F 62a_100009820150_100000747449 [0,2,0,0,0,0|2,0,0]=4 15655 B14R1.13 COC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000139417 [0,2,0,0,0,0|2,0,0]=4 15656 B14R1.13 COC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000139417 [0,2,0,0,0,0|2,0,0]=4 15657 B14R1.13 COC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000139417 [0,2,0,0,0,0|2,0,0]=4 15658 B14R1.13 COC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000139417 [0,2,0,0,0,0|2,0,0]=4 15659 B14R1.13 COC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000139417 [0,2,0,0,0,0|2,0,0]=4 15660 B14R1.13 Cc1ccc(cc1)CCCC(=O)CF 1458a_100000741418_100015361967 [0,2,0,0,0,0|1,0,0]=3 15661 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO 240690a_100000705350_100000210174 [0,2,0,0,0,0|1,0,0]=3 15662 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO 527a_100000705350_100000210174 [0,2,0,0,0,0|1,0,0]=3 15663 B14R1.13 Cc1ccc(cc1)CNNC(=O)CO 22a_100011197965_100000210174 [0,2,0,0,0,0|2,0,0]=4 15664 B14R1.13 Cc1ccc(cc1)OCCC(=O)CF 1458a_100000182323_100015361967 [0,2,0,0,0,0|2,0,0]=4 15665 B14R1.13 Cc1ccc(cc1)OCCC(=O)CO 1458a_100000210174_100000183172 [0,2,0,0,0,0|1,0,0]=3 15666 B14R1.13 Cc1ccc(cc1)SCCC(=O)CF 1458a_100000182377_100015361967 [0,2,0,0,0,0|2,0,0]=4 15667 B14R1.13 O=C(CF)CCCc1ccc(cc1)Br 1458a_100011236545_100015361967 [0,2,0,0,0,0|1,0,0]=3 15668 B14R1.13 O=C(CF)CCCc1ccc(cc1)Cl 1458a_100000741339_100015361967 [0,2,0,0,0,0|1,0,0]=3 15669 B14R1.13 O=C(CF)CCCc1ccc(cc1)F 1458a_100011219804_100015361967 [0,2,0,0,0,0|1,0,0]=3 15670 B14R1.13 O=C(CF)CCCc1ccc(cc1)I 1458a_100011236544_100015361967 [0,2,0,0,0,0|1,0,0]=3 15671 B14R1.13 O=C(CF)CCCc1ccc(cc1)O 1458a_100000116853_100015361967 [0,2,0,0,0,0|1,0,0]=3 15672 B14R1.13 O=C(CF)CCOc1ccc(cc1)Br 1458a_100000738328_100015361967 [0,2,0,0,0,0|2,0,0]=4 15673 B14R1.13 O=C(CF)CCOc1ccc(cc1)Cl 1458a_100000186438_100015361967 [0,2,0,0,0,0|2,0,0]=4 15674 B14R1.13 O=C(CF)CCOc1ccc(cc1)F 1458a_100000737396_100015361967 [0,2,0,0,0,0|2,0,0]=4 15675 B14R1.13 O=C(CF)CCSc1ccc(cc1)Br 1458a_100000208627_100015361967 [0,2,0,0,0,0|2,0,0]=4 15676 B14R1.13 O=C(CF)CCSc1ccc(cc1)Cl 1458a_100000182369_100015361967 [0,2,0,0,0,0|2,0,0]=4 15677 B14R1.13 O=C(CF)CCSc1ccc(cc1)F 1458a_100000199091_100015361967 [0,2,0,0,0,0|2,0,0]=4 15678 B14R1.13 O=C(CF)COCc1ccc(cc1)Br 1458a_200012349173_100015361967 [0,2,0,0,0,0|2,0,0]=4 15679 B14R1.13 O=C(CF)CSCc1ccc(cc1)Br 1458a_100000150267_100015361967 [0,2,0,0,0,0|2,0,0]=4 15680 B14R1.13 O=C(CF)CSCc1ccc(cc1)Cl 1458a_100000150262_100015361967 [0,2,0,0,0,0|2,0,0]=4 15681 B14R1.13 O=C(CF)CSCc1ccc(cc1)F 1458a_100000150272_100015361967 [0,2,0,0,0,0|2,0,0]=4 15682 B14R1.13 O=C(CO)CC#Cc1ccc(cc1)Br 1458a_100000210174_100010706785 [0,2,0,0,0,0|0,0,2]=4 15683 B14R1.13 O=C(CO)CC#Cc1ccc(cc1)F 1458a_100000210174_100010402171 [0,2,0,0,0,0|0,0,2]=4 15684 B14R1.13 O=C(CO)CCCc1ccc(cc1)Br 1458a_100000210174_100011713682 [0,2,0,0,0,0|0,0,0]=2 15685 B14R1.13 O=C(CO)CCCc1ccc(cc1)Cl 1458a_100000210174_100000759440 [0,2,0,0,0,0|0,0,0]=2 15686 B14R1.13 O=C(CO)CCCc1ccc(cc1)F 1458a_100000210174_200011713563 [0,2,0,0,0,0|0,0,0]=2 15687 B14R1.13 O=C(CO)CCOc1ccc(cc1)Br 1458a_100000210174_100000183278 [0,2,0,0,0,0|1,0,0]=3 15688 B14R1.13 O=C(CO)CCOc1ccc(cc1)Cl 1458a_100000210174_100000184122 [0,2,0,0,0,0|1,0,0]=3 15689 B14R1.13 O=C(CO)CCOc1ccc(cc1)F 1458a_100000210174_100000184936 [0,2,0,0,0,0|1,0,0]=3 15690 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br 240690a_100000755846_100000210174 [0,2,0,0,0,0|1,0,0]=3 15691 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br 527a_100000755846_100000210174 [0,2,0,0,0,0|1,0,0]=3 15692 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 240690a_100000185265_100000210174 [0,2,0,0,0,0|1,0,0]=3 15693 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 527a_100000185265_100000210174 [0,2,0,0,0,0|1,0,0]=3 15694 B14R1.13 O=C(CO)NCCc1ccc(cc1)F 240690a_100000199005_100000210174 [0,2,0,0,0,0|1,0,0]=3 15695 B14R1.13 O=C(CO)NCCc1ccc(cc1)F 527a_100000199005_100000210174 [0,2,0,0,0,0|1,0,0]=3 15696 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 240690a_100000743037_100000210174 [0,2,0,0,0,0|1,0,0]=3 15697 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 527a_100000743037_100000210174 [0,2,0,0,0,0|1,0,0]=3 15698 B14R1.13 O=C(CO)NNCc1ccc(cc1)Br 22a_100016993955_100000210174 [0,2,0,0,0,0|2,0,0]=4 15699 B14R1.13 O=C(CO)NNCc1ccc(cc1)Cl 22a_100000689899_100000210174 [0,2,0,0,0,0|2,0,0]=4 15700 B14R1.13 O=C(CO)NNCc1ccc(cc1)F 22a_100000689900_100000210174 [0,2,0,0,0,0|2,0,0]=4 15701 B14R1.13 O=C(CO)NNCc1ccc(cc1)I 22a_102495363730_100000210174 [0,2,0,0,0,0|2,0,0]=4 15702 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000184674 [0,2,0,0,0,0|1,0,0]=3 15703 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011220946_100000211621 [0,2,0,0,0,0|1,0,0]=3 15704 B14R1.520 C#CCC(=O)CCCc1ccccn1 1458a_100000752327_100000184674 [0,2,0,0,0,0|2,0,0]=4 15705 B14R1.520 C#CCC(=O)CCCc1ccncc1 1458a_100020654287_100000184674 [0,2,0,0,0,0|2,0,0]=4 15706 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100000182761_100000184674 [0,2,0,0,0,0|2,0,0]=4 15707 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100011220946_100000184471 [0,2,0,0,0,0|2,0,0]=4 15708 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100000182436_100000184674 [0,2,0,0,0,0|2,0,0]=4 15709 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100011220946_100000246102 [0,2,0,0,0,0|2,0,0]=4 15710 B14R1.520 C#CCC(=O)COCc1ccccc1 1458a_100000230186_100000184674 [0,2,0,0,0,0|2,0,0]=4 15711 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100000150264_100000184674 [0,2,0,0,0,0|2,0,0]=4 15712 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100011220946_200011217039 [0,2,0,0,0,0|2,0,0]=4 15713 B14R1.520 C#CCC(=O)NCCc1ccccc1 1626a_100000106460_100011220946 [0,2,0,0,0,0|2,0,0]=4 15714 B14R1.520 C#CCC(=O)NCCc1ccccc1 527a_100000106460_100011220946 [0,2,0,0,0,0|2,0,0]=4 15715 B14R1.520 C=CCC(=O)CCCc1ccccc1 1458a_100000210193_100000211621 [0,2,0,0,0,0|1,0,0]=3 15716 B14R1.520 C=CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210623 [0,2,0,0,0,0|1,0,0]=3 15717 B14R1.520 C=CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210623 [0,2,0,0,0,0|2,0,0]=4 15718 B14R1.520 C=CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210623 [0,2,0,0,0,0|2,0,0]=4 15719 B14R1.520 C=CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210623 [0,2,0,0,0,0|2,0,0]=4 15720 B14R1.520 C=CCC(=O)CCOc1ccccc1 1458a_100000210193_100000184471 [0,2,0,0,0,0|2,0,0]=4 15721 B14R1.520 C=CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210623 [0,2,0,0,0,0|2,0,0]=4 15722 B14R1.520 C=CCC(=O)CCSc1ccccc1 1458a_100000210193_100000246102 [0,2,0,0,0,0|2,0,0]=4 15723 B14R1.520 C=CCC(=O)COCc1ccccc1 1458a_100000230186_100000210623 [0,2,0,0,0,0|2,0,0]=4 15724 B14R1.520 C=CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210623 [0,2,0,0,0,0|2,0,0]=4 15725 B14R1.520 C=CCC(=O)CSCc1ccccc1 1458a_100000210193_200011217039 [0,2,0,0,0,0|2,0,0]=4 15726 B14R1.520 C=CCC(=O)NCCc1ccccc1 11a_100000106460_100000210193 [0,2,0,0,0,0|2,0,0]=4 15727 B14R1.520 C=CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210193 [0,2,0,0,0,0|2,0,0]=4 15728 B14R1.520 C=CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210193 [0,2,0,0,0,0|2,0,0]=4 15729 B14R1.520 C=CCC(=O)NCCc1ccccc1 527a_100000106460_100000210193 [0,2,0,0,0,0|2,0,0]=4 15730 B14R1.520 C=COC(=O)CNCc1ccccc1 2230a_100015324214_100000036128 [0,2,0,0,0,0|1,0,0]=3 15731 B14R1.520 C=COC(=O)CNCc1ccccc1 34a_100015324214_100000036128 [0,2,0,0,0,0|1,0,0]=3 15732 B14R1.520 C=COC(=O)COCc1ccccc1 34a_100000210790_100000036128 [0,2,0,0,0,0|1,0,0]=3 15733 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000036128_100015291786 [0,2,0,0,0,0|1,0,0]=3 15734 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000211182_100000036128 [0,2,0,0,0,0|1,0,0]=3 15735 B14R1.520 C=COC(=O)CSCc1ccccn1 62a_100000036128_100000721315 [0,2,0,0,0,0|2,0,0]=4 15736 B14R1.520 C=COC(=O)CSCc1ccccn1 62a_100000721315_100000036128 [0,2,0,0,0,0|2,0,0]=4 15737 B14R1.520 C=COC(=O)CSCc1cccnc1 62a_100000036128_100000741622 [0,2,0,0,0,0|2,0,0]=4 15738 B14R1.520 C=COC(=O)CSCc1cccnc1 62a_100000741622_100000036128 [0,2,0,0,0,0|2,0,0]=4 15739 B14R1.520 C=COC(=O)CSCc1ccncc1 62a_100000036128_100015193705 [0,2,0,0,0,0|2,0,0]=4 15740 B14R1.520 C=COC(=O)CSCc1ccncc1 62a_100015193705_100000036128 [0,2,0,0,0,0|2,0,0]=4 15741 B14R1.520 CC#CC(=O)CCCc1ccccc1 1458a_100000763181_100000211621 [0,2,0,0,0,0|1,0,0]=3 15742 B14R1.520 CC#CC(=O)CCOc1ccccc1 1458a_100000763181_100000184471 [0,2,0,0,0,0|2,0,0]=4 15743 B14R1.520 CC#CC(=O)CCSc1ccccc1 1458a_100000763181_100000246102 [0,2,0,0,0,0|2,0,0]=4 15744 B14R1.520 CC#CC(=O)CSCc1ccccc1 1458a_100000763181_200011217039 [0,2,0,0,0,0|2,0,0]=4 15745 B14R1.520 CC=CC(=O)CCCc1ccccc1 1458a_100000210699_100000211621 [0,2,0,0,0,0|1,0,0]=3 15746 B14R1.520 CC=CC(=O)CCOc1ccccc1 1458a_100000210699_100000184471 [0,2,0,0,0,0|2,0,0]=4 15747 B14R1.520 CC=CC(=O)CCSc1ccccc1 1458a_100000210699_100000246102 [0,2,0,0,0,0|2,0,0]=4 15748 B14R1.520 CC=CC(=O)CSCc1ccccc1 1458a_100000210699_200011217039 [0,2,0,0,0,0|2,0,0]=4 15749 B14R1.520 CC=CC(=O)NCCc1ccccc1 11a_100000106460_100000210699 [0,2,0,0,0,0|2,0,0]=4 15750 B14R1.520 CC=CC(=O)NCCc1ccccc1 1626a_100000106460_100000210699 [0,2,0,0,0,0|2,0,0]=4 15751 B14R1.520 CC=CC(=O)NCCc1ccccc1 240690a_100000106460_100000210699 [0,2,0,0,0,0|2,0,0]=4 15752 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,2,0,0,0,0|1,0,0]=3 15753 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,2,0,0,0,0|1,0,0]=3 15754 B14R1.520 CCCC(=O)CCCc1ccccn1 1458a_100000752327_100000210303 [0,2,0,0,0,0|2,0,0]=4 15755 B14R1.520 CCCC(=O)CCCc1ccncc1 1458a_100020654287_100000210303 [0,2,0,0,0,0|2,0,0]=4 15756 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [0,2,0,0,0,0|2,0,0]=4 15757 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [0,2,0,0,0,0|2,0,0]=4 15758 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [0,2,0,0,0,0|2,0,0]=4 15759 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [0,2,0,0,0,0|2,0,0]=4 15760 B14R1.520 CCCC(=O)CNCc1ccccc1 2230a_100015324214_100000747444 [0,2,0,0,0,0|2,0,0]=4 15761 B14R1.520 CCCC(=O)COCc1ccccc1 1458a_100000230186_100000210303 [0,2,0,0,0,0|2,0,0]=4 15762 B14R1.520 CCCC(=O)COCc1ccccc1 7a_100000210790_100000747444 [0,2,0,0,0,0|2,0,0]=4 15763 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210303 [0,2,0,0,0,0|2,0,0]=4 15764 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000211992_200011217039 [0,2,0,0,0,0|2,0,0]=4 15765 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000211182_100000747444 [0,2,0,0,0,0|2,0,0]=4 15766 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000747444_100015291786 [0,2,0,0,0,0|2,0,0]=4 15767 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [0,2,0,0,0,0|2,0,0]=4 15768 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [0,2,0,0,0,0|2,0,0]=4 15769 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [0,2,0,0,0,0|2,0,0]=4 15770 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [0,2,0,0,0,0|2,0,0]=4 15771 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [0,2,0,0,0,0|1,0,0]=3 15772 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [0,2,0,0,0,0|1,0,0]=3 15773 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [0,2,0,0,0,0|1,0,0]=3 15774 B14R1.520 CCNC(=O)CCCc1ccccn1 11a_100015525214_100000752327 [0,2,0,0,0,0|2,0,0]=4 15775 B14R1.520 CCNC(=O)CCCc1ccccn1 240690a_100015525214_100000752327 [0,2,0,0,0,0|2,0,0]=4 15776 B14R1.520 CCNC(=O)CCCc1ccccn1 527a_100015525214_100000752327 [0,2,0,0,0,0|2,0,0]=4 15777 B14R1.520 CCNC(=O)CCCc1ccncc1 11a_100015525214_100020654287 [0,2,0,0,0,0|2,0,0]=4 15778 B14R1.520 CCNC(=O)CCCc1ccncc1 240690a_100015525214_100020654287 [0,2,0,0,0,0|2,0,0]=4 15779 B14R1.520 CCNC(=O)CCCc1ccncc1 527a_100015525214_100020654287 [0,2,0,0,0,0|2,0,0]=4 15780 B14R1.520 CCNC(=O)CCOc1ccccc1 11a_100015525214_100000182761 [0,2,0,0,0,0|2,0,0]=4 15781 B14R1.520 CCNC(=O)CCOc1ccccc1 240690a_100015525214_100000182761 [0,2,0,0,0,0|2,0,0]=4 15782 B14R1.520 CCNC(=O)CCOc1ccccc1 7a_100000210340_100000737597 [0,2,0,0,0,0|2,0,0]=4 15783 B14R1.520 CCNC(=O)CCSc1ccccc1 11a_100015525214_100000182436 [0,2,0,0,0,0|2,0,0]=4 15784 B14R1.520 CCNC(=O)CCSc1ccccc1 240690a_100015525214_100000182436 [0,2,0,0,0,0|2,0,0]=4 15785 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000719477_100000737597 [0,2,0,0,0,0|2,0,0]=4 15786 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000737597_100000041952 [0,2,0,0,0,0|2,0,0]=4 15787 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183381 [0,2,0,0,0,0|2,0,0]=4 15788 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100016988866_100015291786 [0,2,0,0,0,0|2,0,0]=4 15789 B14R1.520 CCNC(=O)CNCc1ccccc1 270004a_100016988866_100015611070 [0,2,0,0,0,0|2,0,0]=4 15790 B14R1.520 CCNC(=O)CNCc1ccccc1 34a_100015324214_100000183381 [0,2,0,0,0,0|2,0,0]=4 15791 B14R1.520 CCNC(=O)COCc1ccccc1 11a_100015525214_100000230186 [0,2,0,0,0,0|2,0,0]=4 15792 B14R1.520 CCNC(=O)COCc1ccccc1 240690a_100015525214_100000230186 [0,2,0,0,0,0|2,0,0]=4 15793 B14R1.520 CCNC(=O)COCc1ccccc1 34a_100000210790_100000183381 [0,2,0,0,0,0|2,0,0]=4 15794 B14R1.520 CCNC(=O)COCc1ccccc1 527a_100015525214_100000230186 [0,2,0,0,0,0|2,0,0]=4 15795 B14R1.520 CCNC(=O)COCc1ccccc1 7a_100000210790_100000183381 [0,2,0,0,0,0|2,0,0]=4 15796 B14R1.520 CCNC(=O)CSCc1ccccc1 11a_100015525214_100000150264 [0,2,0,0,0,0|2,0,0]=4 15797 B14R1.520 CCNC(=O)CSCc1ccccc1 240690a_100015525214_100000150264 [0,2,0,0,0,0|2,0,0]=4 15798 B14R1.520 CCNC(=O)CSCc1ccccc1 527a_100015525214_100000150264 [0,2,0,0,0,0|2,0,0]=4 15799 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000183381_100015291786 [0,2,0,0,0,0|2,0,0]=4 15800 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000211182_100000183381 [0,2,0,0,0,0|2,0,0]=4 15801 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100000106460_100015525214 [0,2,0,0,0,0|2,0,0]=4 15802 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100015525214_100000106460 [0,2,0,0,0,0|2,0,0]=4 15803 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100000106460_100015525214 [0,2,0,0,0,0|2,0,0]=4 15804 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100015525214_100000106460 [0,2,0,0,0,0|2,0,0]=4 15805 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100000106460_100015525214 [0,2,0,0,0,0|2,0,0]=4 15806 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100015525214_100000106460 [0,2,0,0,0,0|2,0,0]=4 15807 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [0,2,0,0,0,0|1,0,0]=3 15808 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [0,2,0,0,0,0|1,0,0]=3 15809 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [0,2,0,0,0,0|1,0,0]=3 15810 B14R1.520 CCOC(=O)CCOc1cccnc1 34a_100000210849_100000765890 [0,2,0,0,0,0|2,0,0]=4 15811 B14R1.520 CCOC(=O)CCOc1cccnc1 7a_100000210849_100011206558 [0,2,0,0,0,0|2,0,0]=4 15812 B14R1.520 CCOC(=O)CCOc1ccncc1 34a_100000212176_100000765890 [0,2,0,0,0,0|2,0,0]=4 15813 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [0,2,0,0,0,0|1,0,0]=3 15814 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [0,2,0,0,0,0|1,0,0]=3 15815 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100000765890_100011216584 [0,2,0,0,0,0|2,0,0]=4 15816 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100011216584_100000765890 [0,2,0,0,0,0|2,0,0]=4 15817 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000210063_100000765890 [0,2,0,0,0,0|2,0,0]=4 15818 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000765890_100000210063 [0,2,0,0,0,0|2,0,0]=4 15819 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000728582_100000765890 [0,2,0,0,0,0|2,0,0]=4 15820 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000765890_100000728582 [0,2,0,0,0,0|2,0,0]=4 15821 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [0,2,0,0,0,0|1,0,0]=3 15822 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [0,2,0,0,0,0|1,0,0]=3 15823 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [0,2,0,0,0,0|1,0,0]=3 15824 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [0,2,0,0,0,0|1,0,0]=3 15825 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [0,2,0,0,0,0|1,0,0]=3 15826 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [0,2,0,0,0,0|1,0,0]=3 15827 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000188475_100000721315 [0,2,0,0,0,0|2,0,0]=4 15828 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000721315_100000188475 [0,2,0,0,0,0|2,0,0]=4 15829 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000188475_100000741622 [0,2,0,0,0,0|2,0,0]=4 15830 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000741622_100000188475 [0,2,0,0,0,0|2,0,0]=4 15831 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100000188475_100015193705 [0,2,0,0,0,0|2,0,0]=4 15832 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100015193705_100000188475 [0,2,0,0,0,0|2,0,0]=4 15833 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [0,2,0,0,0,0|2,0,0]=4 15834 B14R1.520 CCOC(C)CCCc1ccccc1 34a_100121572206_200010759516 [0,2,0,0,0,0|1,0,1]=4 15835 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [0,2,0,0,0,0|2,0,0]=4 15836 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [0,2,0,0,0,0|2,0,0]=4 15837 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000210263_100000211621 [0,2,0,0,0,0|2,0,0]=4 15838 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000693637_100000211926 [0,2,0,0,0,0|2,0,0]=4 15839 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000210263_100000211621 [0,2,0,0,0,0|2,0,0]=4 15840 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000693637_100000211926 [0,2,0,0,0,0|2,0,0]=4 15841 B14R1.520 CNCC(=O)NCCc1ccccc1 2230a_100000747479_200000210301 [0,2,0,0,0,0|2,0,0]=4 15842 B14R1.520 CNCC(=O)NCCc1ccccc1 2230a_106832991635_100000183012 [0,2,0,0,0,0|2,0,0]=4 15843 B14R1.520 CNCC(=O)NCCc1ccccc1 34a_100000747479_200000210301 [0,2,0,0,0,0|2,0,0]=4 15844 B14R1.520 CNCC(=O)NCCc1ccccc1 34a_100102657272_100000183012 [0,2,0,0,0,0|2,0,0]=4 15845 B14R1.520 CNCC(=O)NCCc1ccccc1 7a_106832991635_100000183012 [0,2,0,0,0,0|2,0,0]=4 15846 B14R1.520 CNCC(=O)OCCc1ccccc1 2230a_106832991635_200000077782 [0,2,0,0,0,0|2,0,0]=4 15847 B14R1.520 CNCC(=O)OCCc1ccccc1 34a_100102657272_200000077782 [0,2,0,0,0,0|2,0,0]=4 15848 B14R1.520 CNCC(=O)OCCc1ccccc1 7a_106832991635_200000077782 [0,2,0,0,0,0|2,0,0]=4 15849 B14R1.520 CNNC(=O)CCCc1ccccc1 22a_100016993582_100011207963 [0,2,0,0,0,0|1,0,0]=3 15850 B14R1.520 CNNC(=O)CCCc1ccccn1 22a_100016993582_100000752327 [0,2,0,0,0,0|2,0,0]=4 15851 B14R1.520 CNNC(=O)CCCc1ccncc1 22a_100016993582_100020654287 [0,2,0,0,0,0|2,0,0]=4 15852 B14R1.520 CNNC(=O)CCOc1ccccc1 22a_100016993582_100000182761 [0,2,0,0,0,0|2,0,0]=4 15853 B14R1.520 CNNC(=O)CCSc1ccccc1 22a_100016993582_100000182436 [0,2,0,0,0,0|2,0,0]=4 15854 B14R1.520 CNNC(=O)COCc1ccccc1 22a_100016993582_100000230186 [0,2,0,0,0,0|2,0,0]=4 15855 B14R1.520 CNNC(=O)CSCc1ccccc1 22a_100016993582_100000150264 [0,2,0,0,0,0|2,0,0]=4 15856 B14R1.520 CNNC(=O)NCCc1ccccc1 273464a_100000106460_100016993582 [0,2,0,0,0,0|2,0,0]=4 15857 B14R1.520 CNNC(=O)NCCc1ccccc1 512a_100000106460_100016993582 [0,2,0,0,0,0|2,0,0]=4 15858 B14R1.520 CNNC(=O)NCCc1ccccc1 512a_100016993582_100000106460 [0,2,0,0,0,0|2,0,0]=4 15859 B14R1.520 COCC(=O)C/C=C/c1ccccc1 1458a_100000210968_100016265936 [0,2,0,0,0,0|0,0,2]=4 15860 B14R1.520 COCC(=O)CC#Cc1ccccc1 1458a_100000210968_100011352542 [0,2,0,0,0,0|0,0,2]=4 15861 B14R1.520 COCC(=O)CCCc1ccccc1 1458a_100000210968_100000211621 [0,2,0,0,0,0|0,0,0]=2 15862 B14R1.520 COCC(=O)CCOc1ccccc1 1458a_100000210968_100000184471 [0,2,0,0,0,0|1,0,0]=3 15863 B14R1.520 COCC(=O)CCSc1ccccc1 1458a_100000210968_100000246102 [0,2,0,0,0,0|1,0,0]=3 15864 B14R1.520 COCC(=O)CSCc1ccccc1 1458a_100000210968_200011217039 [0,2,0,0,0,0|1,0,0]=3 15865 B14R1.520 COCC(=O)NCCc1ccccc1 11a_100000106460_100000210968 [0,2,0,0,0,0|1,0,0]=3 15866 B14R1.520 COCC(=O)NCCc1ccccc1 1626a_100000106460_100000210968 [0,2,0,0,0,0|1,0,0]=3 15867 B14R1.520 COCC(=O)NCCc1ccccc1 240690a_100000106460_100000210968 [0,2,0,0,0,0|1,0,0]=3 15868 B14R1.520 COCC(=O)NCCc1ccccc1 34a_100138415774_100000183012 [0,2,0,0,0,0|1,0,0]=3 15869 B14R1.520 COCC(=O)NCCc1ccccc1 527a_100000106460_100000210968 [0,2,0,0,0,0|1,0,0]=3 15870 B14R1.520 COCC(=O)NCCc1ccccn1 11a_100000211156_100000210968 [0,2,0,0,0,0|2,0,0]=4 15871 B14R1.520 COCC(=O)NCCc1ccccn1 1626a_100000211156_100000210968 [0,2,0,0,0,0|2,0,0]=4 15872 B14R1.520 COCC(=O)NCCc1ccccn1 240690a_100000211156_100000210968 [0,2,0,0,0,0|2,0,0]=4 15873 B14R1.520 COCC(=O)NCCc1ccccn1 527a_100000211156_100000210968 [0,2,0,0,0,0|2,0,0]=4 15874 B14R1.520 COCC(=O)NCCc1cccnc1 11a_100000736294_100000210968 [0,2,0,0,0,0|2,0,0]=4 15875 B14R1.520 COCC(=O)NCCc1cccnc1 1626a_100000736294_100000210968 [0,2,0,0,0,0|2,0,0]=4 15876 B14R1.520 COCC(=O)NCCc1cccnc1 240690a_100000736294_100000210968 [0,2,0,0,0,0|2,0,0]=4 15877 B14R1.520 COCC(=O)NCCc1cccnc1 527a_100000736294_100000210968 [0,2,0,0,0,0|2,0,0]=4 15878 B14R1.520 COCC(=O)NCCc1ccncc1 11a_100000742849_100000210968 [0,2,0,0,0,0|2,0,0]=4 15879 B14R1.520 COCC(=O)NCCc1ccncc1 1626a_100000742849_100000210968 [0,2,0,0,0,0|2,0,0]=4 15880 B14R1.520 COCC(=O)NCCc1ccncc1 240690a_100000742849_100000210968 [0,2,0,0,0,0|2,0,0]=4 15881 B14R1.520 COCC(=O)NCCc1ccncc1 527a_100000742849_100000210968 [0,2,0,0,0,0|2,0,0]=4 15882 B14R1.520 COCC(=O)NNCc1ccccc1 22a_100000007032_100000210968 [0,2,0,0,0,0|2,0,0]=4 15883 B14R1.520 COCC(=O)NOCc1ccccc1 34a_100138415774_100000230105 [0,2,0,0,0,0|2,0,0]=4 15884 B14R1.520 COCC(=O)OCCc1ccccc1 34a_100138415774_200000077782 [0,2,0,0,0,0|1,0,0]=3 15885 B14R1.520 COCN(C)CCCc1ccccc1 2230a_100000693637_100000766300 [0,2,0,0,0,0|2,0,0]=4 15886 B14R1.520 COCN(C)CCCc1ccccc1 269982a_100000693637_100000766300 [0,2,0,0,0,0|2,0,0]=4 15887 B14R1.520 CSCC(=O)CCCc1ccccc1 1458a_100000184570_100000211621 [0,2,0,0,0,0|0,1,0]=3 15888 B14R1.520 CSCC(=O)CCOc1ccccc1 1458a_100000184570_100000184471 [0,2,0,0,0,0|1,1,0]=4 15889 B14R1.520 CSCC(=O)CCSc1ccccc1 1458a_100000184570_100000246102 [0,2,0,0,0,0|1,1,0]=4 15890 B14R1.520 CSCC(=O)CSCc1ccccc1 1458a_100000184570_200011217039 [0,2,0,0,0,0|1,1,0]=4 15891 B14R1.520 CSCC(=O)NCCc1ccccc1 11a_100000106460_100000184570 [0,2,0,0,0,0|1,1,0]=4 15892 B14R1.520 CSCC(=O)NCCc1ccccc1 1626a_100000106460_100000184570 [0,2,0,0,0,0|1,1,0]=4 15893 B14R1.520 CSCC(=O)NCCc1ccccc1 240690a_100000106460_100000184570 [0,2,0,0,0,0|1,1,0]=4 15894 B14R1.520 CSCC(=O)NCCc1ccccc1 527a_100000106460_100000184570 [0,2,0,0,0,0|1,1,0]=4 15895 B14R1.520 CSCC(=O)NCCc1ccccc1 62a_100000183012_200000210301 [0,2,0,0,0,0|1,1,0]=4 15896 B14R1.520 CSCC(=O)NCCc1ccccc1 62a_200000210301_100000183012 [0,2,0,0,0,0|1,1,0]=4 15897 B14R1.520 CSCC(=O)OCCc1ccccc1 62a_200000077782_200000210301 [0,2,0,0,0,0|1,1,0]=4 15898 B14R1.520 CSCC(=O)OCCc1ccccc1 62a_200000210301_200000077782 [0,2,0,0,0,0|1,1,0]=4 15899 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100011207963_100011214920 [0,2,0,0,0,0|1,0,0]=3 15900 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100051588842_100000211621 [0,2,0,0,0,0|1,0,0]=3 15901 B14R1.520 N#CCC(=O)CCCc1ccccn1 1458a_100000752327_100011214920 [0,2,0,0,0,0|2,0,0]=4 15902 B14R1.520 N#CCC(=O)CCCc1ccncc1 1458a_100020654287_100011214920 [0,2,0,0,0,0|2,0,0]=4 15903 B14R1.520 N#CCC(=O)CCOc1ccccc1 1458a_100000182761_100011214920 [0,2,0,0,0,0|2,0,0]=4 15904 B14R1.520 N#CCC(=O)CCOc1ccccc1 1458a_100051588842_100000184471 [0,2,0,0,0,0|2,0,0]=4 15905 B14R1.520 N#CCC(=O)CCSc1ccccc1 1458a_100000182436_100011214920 [0,2,0,0,0,0|2,0,0]=4 15906 B14R1.520 N#CCC(=O)CCSc1ccccc1 1458a_100051588842_100000246102 [0,2,0,0,0,0|2,0,0]=4 15907 B14R1.520 N#CCC(=O)COCc1ccccc1 1458a_100000230186_100011214920 [0,2,0,0,0,0|2,0,0]=4 15908 B14R1.520 N#CCC(=O)CSCc1ccccc1 1458a_100000150264_100011214920 [0,2,0,0,0,0|2,0,0]=4 15909 B14R1.520 N#CCC(=O)CSCc1ccccc1 1458a_100051588842_200011217039 [0,2,0,0,0,0|2,0,0]=4 15910 B14R1.520 N#CCC(=O)NCCc1ccccc1 1626a_100000106460_100051588842 [0,2,0,0,0,0|2,0,0]=4 15911 B14R1.520 N#CCC(=O)NCCc1ccccc1 240690a_100000106460_100051588842 [0,2,0,0,0,0|2,0,0]=4 15912 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [0,2,0,0,0,0|0,0,2]=4 15913 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [0,2,0,0,0,0|0,0,2]=4 15914 B14R1.520 O=C(C=CBr)CCCc1ccccc1 1458a_100016273825_100000211621 [0,2,0,0,0,0|1,0,0]=3 15915 B14R1.520 O=C(C=CBr)CCOc1ccccc1 1458a_100016273825_100000184471 [0,2,0,0,0,0|2,0,0]=4 15916 B14R1.520 O=C(C=CBr)CCSc1ccccc1 1458a_100016273825_100000246102 [0,2,0,0,0,0|2,0,0]=4 15917 B14R1.520 O=C(C=CBr)CSCc1ccccc1 1458a_100016273825_200011217039 [0,2,0,0,0,0|2,0,0]=4 15918 B14R1.520 O=C(C=CBr)NCCc1ccccc1 1626a_100000106460_100016273825 [0,2,0,0,0,0|2,0,0]=4 15919 B14R1.520 O=C(C=CBr)NCCc1ccccc1 240690a_100000106460_100016273825 [0,2,0,0,0,0|2,0,0]=4 15920 B14R1.520 O=C(C=CCl)CCCc1ccccc1 1458a_200016279998_100000211621 [0,2,0,0,0,0|1,0,0]=3 15921 B14R1.520 O=C(C=CCl)CCOc1ccccc1 1458a_200016279998_100000184471 [0,2,0,0,0,0|2,0,0]=4 15922 B14R1.520 O=C(C=CCl)CCSc1ccccc1 1458a_200016279998_100000246102 [0,2,0,0,0,0|2,0,0]=4 15923 B14R1.520 O=C(C=CCl)CSCc1ccccc1 1458a_200016279998_200011217039 [0,2,0,0,0,0|2,0,0]=4 15924 B14R1.520 O=C(C=CCl)NCCc1ccccc1 11a_100000106460_200016279998 [0,2,0,0,0,0|2,0,0]=4 15925 B14R1.520 O=C(C=CCl)NCCc1ccccc1 1626a_100000106460_200016279998 [0,2,0,0,0,0|2,0,0]=4 15926 B14R1.520 O=C(C=CCl)NCCc1ccccc1 240690a_100000106460_200016279998 [0,2,0,0,0,0|2,0,0]=4 15927 B14R1.520 O=C(C=CI)CCCc1ccccc1 1458a_100016256311_100000211621 [0,2,0,0,0,0|1,0,0]=3 15928 B14R1.520 O=C(C=CI)CCOc1ccccc1 1458a_100016256311_100000184471 [0,2,0,0,0,0|2,0,0]=4 15929 B14R1.520 O=C(C=CI)CCSc1ccccc1 1458a_100016256311_100000246102 [0,2,0,0,0,0|2,0,0]=4 15930 B14R1.520 O=C(C=CI)CSCc1ccccc1 1458a_100016256311_200011217039 [0,2,0,0,0,0|2,0,0]=4 15931 B14R1.520 O=C(C=CI)NCCc1ccccc1 1626a_100000106460_100016256311 [0,2,0,0,0,0|2,0,0]=4 15932 B14R1.520 O=C(CC#Cc1ccccc1)CCO 1458a_100011216618_100011352542 [0,2,0,0,0,0|0,0,2]=4 15933 B14R1.520 O=C(CCF)CCCc1ccccc1 1458a_100011207963_100011217306 [0,2,0,0,0,0|1,0,0]=3 15934 B14R1.520 O=C(CCF)CCCc1ccccn1 1458a_100000752327_100011217306 [0,2,0,0,0,0|2,0,0]=4 15935 B14R1.520 O=C(CCF)CCCc1ccncc1 1458a_100020654287_100011217306 [0,2,0,0,0,0|2,0,0]=4 15936 B14R1.520 O=C(CCF)CCOc1ccccc1 1458a_100000182761_100011217306 [0,2,0,0,0,0|2,0,0]=4 15937 B14R1.520 O=C(CCF)CCSc1ccccc1 1458a_100000182436_100011217306 [0,2,0,0,0,0|2,0,0]=4 15938 B14R1.520 O=C(CCF)COCc1ccccc1 1458a_100000230186_100011217306 [0,2,0,0,0,0|2,0,0]=4 15939 B14R1.520 O=C(CCF)CSCc1ccccc1 1458a_100000150264_100011217306 [0,2,0,0,0,0|2,0,0]=4 15940 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011207963_100000211926 [0,2,0,0,0,0|0,0,0]=2 15941 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011216618_100000211621 [0,2,0,0,0,0|0,0,0]=2 15942 B14R1.520 O=C(CCO)CCCc1ccccn1 1458a_100000752327_100000211926 [0,2,0,0,0,0|1,0,0]=3 15943 B14R1.520 O=C(CCO)CCCc1ccncc1 1458a_100020654287_100000211926 [0,2,0,0,0,0|1,0,0]=3 15944 B14R1.520 O=C(CCO)CCOc1ccccc1 1458a_100000182761_100000211926 [0,2,0,0,0,0|1,0,0]=3 15945 B14R1.520 O=C(CCO)CCOc1ccccc1 1458a_100011216618_100000184471 [0,2,0,0,0,0|1,0,0]=3 15946 B14R1.520 O=C(CCO)CCSc1ccccc1 1458a_100000182436_100000211926 [0,2,0,0,0,0|1,0,0]=3 15947 B14R1.520 O=C(CCO)CCSc1ccccc1 1458a_100011216618_100000246102 [0,2,0,0,0,0|1,0,0]=3 15948 B14R1.520 O=C(CCO)COCc1ccccc1 1458a_100000230186_100000211926 [0,2,0,0,0,0|1,0,0]=3 15949 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100000150264_100000211926 [0,2,0,0,0,0|1,0,0]=3 15950 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100011216618_200011217039 [0,2,0,0,0,0|1,0,0]=3 15951 B14R1.520 O=C(CCO)CSCc1ccccn1 1458a_100000742634_100000211926 [0,2,0,0,0,0|2,0,0]=4 15952 B14R1.520 O=C(CCO)NCCc1ccccc1 240690a_100000106460_100011216618 [0,2,0,0,0,0|1,0,0]=3 15953 B14R1.520 O=C(CCO)NCCc1ccccn1 240690a_100000211156_100011216618 [0,2,0,0,0,0|2,0,0]=4 15954 B14R1.520 O=C(CCO)NCCc1cccnc1 240690a_100000736294_100011216618 [0,2,0,0,0,0|2,0,0]=4 15955 B14R1.520 O=C(CCO)NCCc1ccncc1 240690a_100000742849_100011216618 [0,2,0,0,0,0|2,0,0]=4 15956 B14R1.520 O=C(CCO)NNCc1ccccc1 22a_100000007032_100011216618 [0,2,0,0,0,0|2,0,0]=4 15957 B14R1.520 O=C(CNCc1ccccc1)NCO 2230a_100015324214_100000185155 [0,2,0,0,0,0|1,0,0]=3 15958 B14R1.520 O=C(CNCc1ccccc1)NCO 34a_100015324214_100000185155 [0,2,0,0,0,0|1,0,0]=3 15959 B14R1.520 O=C(COCc1ccccc1)NCO 34a_100000210790_100000185155 [0,2,0,0,0,0|1,0,0]=3 15960 B14R1.520 O=C(COCc1ccccc1)NCO 7a_100000210790_100000185155 [0,2,0,0,0,0|1,0,0]=3 15961 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000185155_100015291786 [0,2,0,0,0,0|1,0,0]=3 15962 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000211182_100000185155 [0,2,0,0,0,0|1,0,0]=3 15963 B14R1.520 O=C(CSCc1ccccn1)NCO 62a_100000185155_100000721315 [0,2,0,0,0,0|2,0,0]=4 15964 B14R1.520 O=C(CSCc1ccccn1)NCO 62a_100000721315_100000185155 [0,2,0,0,0,0|2,0,0]=4 15965 B14R1.520 O=C(CSCc1cccnc1)NCO 62a_100000185155_100000741622 [0,2,0,0,0,0|2,0,0]=4 15966 B14R1.520 O=C(CSCc1cccnc1)NCO 62a_100000741622_100000185155 [0,2,0,0,0,0|2,0,0]=4 15967 B14R1.520 O=C(CSCc1ccncc1)NCO 62a_100000185155_100015193705 [0,2,0,0,0,0|2,0,0]=4 15968 B14R1.520 O=C(CSCc1ccncc1)NCO 62a_100015193705_100000185155 [0,2,0,0,0,0|2,0,0]=4 15969 B14R1.520 [13CH3]NCC(=O)NCCc1ccccc1 2230a_100000747479_200025704644 [0,2,0,0,0,0|2,0,0]=4 15970 B14R1.520 [13CH3]NCC(=O)NCCc1ccccc1 34a_100000747479_200025704644 [0,2,0,0,0,0|2,0,0]=4 15971 B14R1.520 [13CH3]SCC(=O)NCCc1ccccc1 62a_100000183012_200025704644 [0,2,0,0,0,0|1,1,0]=4 15972 B14R1.520 [13CH3]SCC(=O)NCCc1ccccc1 62a_200025704644_100000183012 [0,2,0,0,0,0|1,1,0]=4 15973 B14R1.520 [13CH3]SCC(=O)OCCc1ccccc1 62a_200000077782_200025704644 [0,2,0,0,0,0|1,1,0]=4 15974 B14R1.520 [13CH3]SCC(=O)OCCc1ccccc1 62a_200025704644_200000077782 [0,2,0,0,0,0|1,1,0]=4 15975 B12R1.462 C=CC=CC(=O)CC1CC(=O)C1 1458a_100016291481_100009874392 [0,0,1,1,0,0|2,0,0]=4 15976 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [1,0,0,1,0,0|2,0,0]=4 15977 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [1,0,0,1,0,0|2,0,0]=4 15978 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [1,0,0,1,0,0|2,0,0]=4 15979 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [1,0,0,1,0,0|2,0,0]=4 15980 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [1,0,0,1,0,0|2,0,0]=4 15981 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [1,0,0,1,0,0|2,0,0]=4 15982 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [1,0,0,1,0,0|2,0,0]=4 15983 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [1,0,0,1,0,0|2,0,0]=4 15984 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [1,0,0,1,0,0|2,0,0]=4 15985 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [1,0,0,1,0,0|2,0,0]=4 15986 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [1,0,0,1,0,0|2,0,0]=4 15987 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [1,0,0,1,0,0|2,0,0]=4 15988 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [1,0,0,1,0,0|2,0,0]=4 15989 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [1,0,0,1,0,0|2,0,0]=4 15990 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [1,0,0,1,0,0|2,0,0]=4 15991 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [1,0,0,1,0,0|2,0,0]=4 15992 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [1,0,0,1,0,0|2,0,0]=4 15993 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [1,0,0,1,0,0|2,0,0]=4 15994 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 15995 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 15996 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 15997 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 15998 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|2,0,0]=4 15999 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|2,0,0]=4 16000 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|2,0,0]=4 16001 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|2,0,0]=4 16002 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 16003 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 16004 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 16005 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 16006 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [1,0,0,1,0,0|1,0,1]=4 16007 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [1,0,0,1,0,0|1,0,1]=4 16008 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [1,0,0,1,0,0|1,0,1]=4 16009 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [1,0,0,1,0,0|1,0,1]=4 16010 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [1,0,0,1,0,0|1,0,1]=4 16011 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [1,0,0,1,0,0|1,0,1]=4 16012 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [1,0,0,1,0,0|1,0,1]=4 16013 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [1,0,0,1,0,0|1,0,1]=4 16014 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,1,0|1,0,0]=3 16015 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,1,0|1,0,0]=3 16016 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [0,0,0,1,0,1|1,0,0]=3 16017 B14R2.2 CC(=O)CN1CCc2c1cccc2 1458a_100000742689_200000210301 [0,0,0,1,0,1|1,0,0]=3 16018 B14R2.2 CC(=O)NC1COc2c1cccc2 11a_100000747519_100015343762 [0,0,0,1,0,1|2,0,0]=4 16019 B14R2.2 CC(=O)NC1COc2c1cccc2 1626a_100000747519_100015343762 [0,0,0,1,0,1|2,0,0]=4 16020 B14R2.2 CC(=O)NC1COc2c1cccc2 240690a_100000747519_100015343762 [0,0,0,1,0,1|2,0,0]=4 16021 B14R2.2 CC(=O)NC1COc2c1cccc2 527a_100000747519_100103153847 [0,0,0,1,0,1|2,0,0]=4 16022 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100015343762 [0,0,0,1,0,1|1,0,0]=3 16023 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100015343762 [0,0,0,1,0,1|1,0,0]=3 16024 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100015343762 [0,0,0,1,0,1|1,0,0]=3 16025 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100103153847 [0,0,0,1,0,1|1,0,0]=3 16026 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [0,0,0,1,0,1|1,0,0]=3 16027 B14R2.2 [13CH3]C(=O)CN1CCc2c1cccc2 1458a_100000742689_200025704644 [0,0,0,1,0,1|1,0,0]=3 16028 B14R2.19 O=C1CN(CN1)Cc2ccccc2 2230a_200000708111_100015291786 [0,0,0,1,0,1|2,0,0]=4 16029 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,1,0,1|1,0,0]=3 16030 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,1,0,1|1,0,0]=3 16031 B14R2.19 O=C1OCC(O1)Oc2cccnc2 34a_100000210849_100000032252 [0,0,0,1,0,1|2,0,0]=4 16032 B14R2.19 O=C1OCC(O1)Oc2ccncc2 34a_100000212176_100000032252 [0,0,0,1,0,1|2,0,0]=4 16033 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,1,0,1|1,0,0]=3 16034 B14R2.19 O=C1OCC(O1)Sc2ccccn2 62a_100011216584_100000032252 [0,0,0,1,0,1|2,0,0]=4 16035 B14R2.19 O=C1OCC(O1)Sc2cccnc2 62a_100000210063_100000032252 [0,0,0,1,0,1|2,0,0]=4 16036 B14R2.19 O=C1OCC(O1)Sc2ccncc2 62a_100000728582_100000032252 [0,0,0,1,0,1|2,0,0]=4 16037 B14R2.19 OC1CCN(C1)Cc2ccccc2 2230a_100011215560_100015291786 [0,0,0,1,0,1|1,0,1]=4 16038 B14R2.19 OC1CCN(C1)Cc2ccccc2 269982a_100011215560_100000211182 [0,0,0,1,0,1|1,0,1]=4 16039 B14R2.19 OC1CCN(C1)Cc2ccccc2 270004a_100011215560_100015611070 [0,0,0,1,0,1|1,0,1]=4 16040 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,0,0,1,0,1|1,0,0]=3 16041 B14R2.21 O=C1C=C(CCC1)c2ccccn2 271570a_100000723966_100011216584 [0,0,0,1,0,1|2,0,0]=4 16042 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [0,0,0,1,0,1|2,0,0]=4 16043 B14R2.21 O=C1C=C(CCC1)c2ccncc2 271570a_100000723966_100000035832 [0,0,0,1,0,1|2,0,0]=4 16044 B14R2.436 C=C1CC(C1)NCc2ccccc2 207a_100132301982_100015611070 [0,0,0,1,0,1|2,0,0]=4 16045 B14R2.436 C=C1CC(C1)NCc2ccccc2 2230a_100132301982_100015291786 [0,0,0,1,0,1|2,0,0]=4 16046 B14R2.436 C=C1CC(C1)NCc2ccccc2 270004a_100132301982_100015611070 [0,0,0,1,0,1|2,0,0]=4 16047 B14R2.436 O=C1CC(C1)COc2ccccc2 7a_100000210340_100009874392 [0,0,0,1,0,1|1,0,0]=3 16048 B14R2.436 O=C1CC(C1)COc2cccnc2 7a_100000210849_100009874392 [0,0,0,1,0,1|2,0,0]=4 16049 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100000719477_100009874392 [0,0,0,1,0,1|1,0,0]=3 16050 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100009874392_100000041952 [0,0,0,1,0,1|1,0,0]=3 16051 B14R2.436 O=C1CC(C1)CSc2ccccn2 62a_100009874392_100011216584 [0,0,0,1,0,1|2,0,0]=4 16052 B14R2.436 O=C1CC(C1)CSc2ccccn2 62a_100011216584_100009874392 [0,0,0,1,0,1|2,0,0]=4 16053 B14R2.436 O=C1CC(C1)CSc2cccnc2 62a_100000210063_100009874392 [0,0,0,1,0,1|2,0,0]=4 16054 B14R2.436 O=C1CC(C1)CSc2cccnc2 62a_100009874392_100000210063 [0,0,0,1,0,1|2,0,0]=4 16055 B14R2.436 O=C1CC(C1)CSc2ccncc2 62a_100000728582_100009874392 [0,0,0,1,0,1|2,0,0]=4 16056 B14R2.436 O=C1CC(C1)CSc2ccncc2 62a_100009874392_100000728582 [0,0,0,1,0,1|2,0,0]=4 16057 B14R2.436 O=C1CC(C1)SCc2ccccc2 62a_100009894365_100015291786 [0,0,0,1,0,1|1,0,0]=3 16058 B14R2.436 O=C1CC(C1)SCc2ccccn2 62a_100009894365_100000721315 [0,0,0,1,0,1|2,0,0]=4 16059 B14R2.436 O=C1CC(C1)SCc2cccnc2 62a_100009894365_100000741622 [0,0,0,1,0,1|2,0,0]=4 16060 B14R2.436 O=C1CC(C1)SCc2ccncc2 62a_100009894365_100015193705 [0,0,0,1,0,1|2,0,0]=4 16061 B14R2.436 OC1CN(C1)CCc2ccccc2 269982a_100000749847_100000765856 [0,0,0,1,0,1|1,0,1]=4 16062 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccc2 207a_100020629032_100015611070 [0,0,0,1,0,1|1,0,1]=4 16063 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccc2 2230a_100020629032_100015291786 [0,0,0,1,0,1|1,0,1]=4 16064 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccc2 270004a_100020629032_100015611070 [0,0,0,1,0,1|1,0,1]=4 16065 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100015343762 [0,0,0,1,0,1|1,0,0]=3 16066 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100015343762 [0,0,0,1,0,1|1,0,0]=3 16067 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100015343762 [0,0,0,1,0,1|1,0,0]=3 16068 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100103153847 [0,0,0,1,0,1|1,0,0]=3 16069 B14R2.780 CC(=O)N1CCC1c2ccccc2 11a_100000739605_100015343762 [0,0,0,1,0,1|1,0,0]=3 16070 B14R2.780 CC(=O)N1CCC1c2ccccc2 1626a_100000739605_100015343762 [0,0,0,1,0,1|1,0,0]=3 16071 B14R2.780 CC(=O)N1CCC1c2ccccc2 240690a_100000739605_100015343762 [0,0,0,1,0,1|1,0,0]=3 16072 B14R2.780 CC(=O)N1CCC1c2ccccc2 527a_100000739605_100103153847 [0,0,0,1,0,1|1,0,0]=3 16073 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100015343762 [0,0,0,1,0,1|1,0,0]=3 16074 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100015343762 [0,0,0,1,0,1|1,0,0]=3 16075 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100015343762 [0,0,0,1,0,1|1,0,0]=3 16076 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100103153847 [0,0,0,1,0,1|1,0,0]=3 16077 B14R2.3018 c1ccc(cc1)CCNCC2CO2 2230a_100000106460_100011216344 [0,0,0,1,0,1|1,0,1]=4 16078 B14R2.3018 c1ccc(cc1)CCNCC2CO2 34a_100000106460_102125554688 [0,0,0,1,0,1|1,0,1]=4 16079 B14R2.3018 c1ccc(cc1)CCOCC2CO2 34a_100000210268_102125554688 [0,0,0,1,0,1|1,0,1]=4 16080 B14R2.3018 c1ccc(cc1)CCOCC2CO2 7a_100000210268_102125554688 [0,0,0,1,0,1|1,0,1]=4 16081 B14R2.3018 c1ccc(cc1)CCOC[C@@H]2CO2 34a_100000757423_100000765856 [0,0,0,1,0,1|1,0,1]=4 16082 B14R2.3018 c1ccc(cc1)CCOC[C@@H]2CO2 7a_100000210268_100000745022 [0,0,0,1,0,1|1,0,1]=4 16083 B14R2.3018 c1ccc(cc1)CCSCC2CO2 62a_100000765856_102125554688 [0,0,0,1,0,1|1,0,1]=4 16084 B14R2.3018 c1ccc(cc1)CCSCC2CO2 62a_102125554688_100011218657 [0,0,0,1,0,1|1,0,1]=4 16085 B14R2.3018 c1ccc(cc1)CCSC[C@@H]2CO2 62a_100000745022_100011218657 [0,0,0,1,0,1|1,0,1]=4 16086 B14R2.3018 c1ccc(cc1)CCSC[C@@H]2CO2 62a_100000765856_100000745022 [0,0,0,1,0,1|1,0,1]=4 16087 B14R2.3018 c1ccc(cc1)CNCCC2CO2 2230a_100015324214_100000732470 [0,0,0,1,0,1|1,0,1]=4 16088 B14R2.3018 c1ccc(cc1)CNCCC2CO2 34a_100015324214_100000732470 [0,0,0,1,0,1|1,0,1]=4 16089 B14R2.3018 c1ccc(cc1)COCCC2CO2 34a_100000210790_100000732470 [0,0,0,1,0,1|1,0,1]=4 16090 B14R2.3018 c1ccc(cc1)COCCC2CO2 7a_100000210790_100000732470 [0,0,0,1,0,1|1,0,1]=4 16091 B14R2.3018 c1ccc(cc1)COCC[C@@H]2CO2 34a_100009820653_100015291786 [0,0,0,1,0,1|1,0,1]=4 16092 B14R2.3018 c1ccc(cc1)CSCCC2CO2 62a_100000211182_100000732470 [0,0,0,1,0,1|1,0,1]=4 16093 B14R2.3018 c1ccc(cc1)CSCCC2CO2 62a_100000732470_100015291786 [0,0,0,1,0,1|1,0,1]=4 16094 B14R2.3018 c1ccc(cc1)NCCCC2CO2 34a_100000106764_100000733510 [0,0,0,1,0,1|1,0,1]=4 16095 B14R2.3018 c1ccc(cc1)OCCCC2CO2 34a_100000210340_100000733510 [0,0,0,1,0,1|1,0,1]=4 16096 B14R2.3018 c1ccc(cc1)OCCCC2CO2 7a_100000210340_100000733510 [0,0,0,1,0,1|1,0,1]=4 16097 B14R2.3018 c1ccc(cc1)SCCCC2CO2 62a_100000719477_100000733510 [0,0,0,1,0,1|1,0,1]=4 16098 B14R2.3018 c1ccc(cc1)SCCCC2CO2 62a_100000733510_100000041952 [0,0,0,1,0,1|1,0,1]=4 16099 B14R2.31137 C=C(C)CSC1Cc2c1cccc2 62a_100000748629_100009813401 [0,0,0,1,0,1|2,0,0]=4 16100 B14R2.31137 C=C(C)CSC1Cc2c1cccc2 62a_100009813401_100000211660 [0,0,0,1,0,1|2,0,0]=4 16101 B14R2.31137 C=C(F)CSC1Cc2c1cccc2 62a_100000042424_100009813401 [0,0,0,1,0,1|2,0,0]=4 16102 B14R2.31137 C=C(F)CSC1Cc2c1cccc2 62a_100009813401_100000042424 [0,0,0,1,0,1|2,0,0]=4 16103 B14R2.31137 CC(O)CSC1Cc2c1cccc2 62a_100009813401_100011218427 [0,0,0,1,0,1|1,0,1]=4 16104 B14R2.31137 CC(O)CSC1Cc2c1cccc2 62a_100011218427_100009813401 [0,0,0,1,0,1|1,0,1]=4 16105 B14R2.31137 C[C@@H](O)CSC1Cc2c1cccc2 62a_100009813401_100009817552 [0,0,0,1,0,1|1,0,1]=4 16106 B14R2.31137 C[C@@H](O)CSC1Cc2c1cccc2 62a_100009817552_100009813401 [0,0,0,1,0,1|1,0,1]=4 16107 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100000747473_100009813401 [0,0,0,1,0,1|1,0,0]=3 16108 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100009813401_100000747473 [0,0,0,1,0,1|1,0,0]=3 16109 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [0,0,0,1,0,1|0,0,0]=2 16110 B14R2.31137 O=C([O-])CSC1Cc2c1cccc2 62a_100009813401_100020667443 [0,0,0,1,0,1|0,0,1]=3 16111 B14R2.31137 O=C([O-])CSC1Cc2c1cccc2 62a_100020667443_100009813401 [0,0,0,1,0,1|0,0,1]=3 16112 B14R2.31137 O=[N+]([O-])CSC1Cc2c1cccc2 62a_100009813401_100000761209 [0,0,0,1,0,1|1,0,1]=4 16113 B14R2.31359 CC(=O)C1CCCc2c1cccc2 1458a_100011198263_200000210301 [0,0,0,1,0,1|1,0,0]=3 16114 B14R2.31359 CC(=O)C1OCCc2c1cccc2 1458a_100000026751_200000210301 [0,0,0,1,0,1|1,0,0]=3 16115 B14R2.31359 [13CH3]C(=O)C1CCCc2c1cccc2 1458a_100011198263_200025704644 [0,0,0,1,0,1|1,0,0]=3 16116 B14R2.31359 [13CH3]C(=O)C1OCCc2c1cccc2 1458a_100000026751_200025704644 [0,0,0,1,0,1|1,0,0]=3 16117 B14R2.422 CN(c1ccccc1)C2CC(=O)C2 269982a_100000210012_100009894365 [0,1,0,1,0,0|2,0,0]=4 16118 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,1,0,1,0,0|1,0,0]=3 16119 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,1,0,1,0,0|1,0,0]=3 16120 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,1,0,1,0,0|1,0,1]=4 16121 B14R2.22 Cc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100011215228 [0,1,0,1,0,0|1,0,1]=4 16122 B14R2.22 Nc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100000210019 [0,1,0,1,0,0|1,0,1]=4 16123 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Br 271570a_100010737933_100000691529 [0,1,0,1,0,0|1,0,1]=4 16124 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Cl 271570a_100010737933_100000699651 [0,1,0,1,0,0|1,0,1]=4 16125 B14R2.22 O=C1C=C(CC1)c2cccc(c2)F 271570a_100010737933_100000685547 [0,1,0,1,0,0|1,0,1]=4 16126 B14R2.22 O=C1C=C(CC1)c2cccc(c2)O 271570a_100010737933_100000211634 [0,1,0,1,0,0|1,0,1]=4 16127 B14R2.22 O=C1C=C(CC1)c2cccc(c2)[S] 271570a_100010737933_114929384022 [0,1,0,1,0,0|1,0,1]=4 16128 B14R2.300 CC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_200000210301 [0,1,0,1,0,0|1,0,0]=3 16129 B14R2.300 CC(=O)N1CCc2c1ccc(c2)O 271570a_203496583355_100000215927 [0,1,0,1,0,0|2,0,0]=4 16130 B14R2.300 Cc1ccc2c(c1)CCC2C(=O)[13CH3] 1458a_100000103084_200025704644 [0,1,0,1,0,0|1,0,0]=3 16131 B14R2.4476 CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200000210301 [0,1,0,1,0,0|1,0,0]=3 16132 B14R2.4476 [13CH3]C(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200025704644 [0,1,0,1,0,0|1,0,0]=3 16133 B14R2.7974 O=C1CCCc2cc(ccc2N1)O 271570a_203496583355_100000694693 [0,1,0,1,0,0|1,0,0]=3 16134 B14R2.7974 O=C1CCNc2cc(ccc2N1)O 271570a_203496583355_200012359944 [0,1,0,1,0,0|2,0,0]=4 16135 B14R2.9057 Cc1cccc(c1)SC2CC(=O)C2 62a_100009894365_100011215228 [0,1,0,1,0,0|2,0,0]=4 16136 B14R2.9057 Nc1cccc(c1)SC2CC(=O)C2 62a_100009894365_100000210019 [0,1,0,1,0,0|2,0,0]=4 16137 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)Br 62a_100009894365_100000691529 [0,1,0,1,0,0|2,0,0]=4 16138 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)Cl 62a_100009894365_100000699651 [0,1,0,1,0,0|2,0,0]=4 16139 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)F 62a_100009894365_100000685547 [0,1,0,1,0,0|2,0,0]=4 16140 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)O 62a_100009894365_100000211634 [0,1,0,1,0,0|2,0,0]=4 16141 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)[S] 62a_100009894365_114929384022 [0,1,0,1,0,0|2,0,0]=4 16142 B14R2.256 Cc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210755 [0,1,0,1,0,0|1,0,1]=4 16143 B14R2.256 Nc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210017 [0,1,0,1,0,0|1,0,1]=4 16144 B14R2.256 O=C1C=C(CC1)c2ccccc2Br 271570a_100010737933_100000695589 [0,1,0,1,0,0|1,0,1]=4 16145 B14R2.256 O=C1C=C(CC1)c2ccccc2Cl 271570a_100010737933_100000764095 [0,1,0,1,0,0|1,0,1]=4 16146 B14R2.256 O=C1C=C(CC1)c2ccccc2F 271570a_100010737933_100011215700 [0,1,0,1,0,0|1,0,1]=4 16147 B14R2.256 O=C1C=C(CC1)c2ccccc2O 271570a_100010737933_100000739446 [0,1,0,1,0,0|1,0,1]=4 16148 B14R2.256 O=C1CC(CN1)c2ccccc2O 271570a_203496583355_100015473168 [0,1,0,1,0,0|2,0,0]=4 16149 B14R2.663 Cc1ccccc1SC2CC(=O)C2 62a_100009894365_100000210755 [0,1,0,1,0,0|2,0,0]=4 16150 B14R2.663 Nc1ccccc1SC2CC(=O)C2 62a_100009894365_100000210017 [0,1,0,1,0,0|2,0,0]=4 16151 B14R2.663 O=C1CC(C1)Sc2ccccc2Br 62a_100009894365_100000695589 [0,1,0,1,0,0|2,0,0]=4 16152 B14R2.663 O=C1CC(C1)Sc2ccccc2Cl 62a_100009894365_100000764095 [0,1,0,1,0,0|2,0,0]=4 16153 B14R2.663 O=C1CC(C1)Sc2ccccc2F 62a_100009894365_100011215700 [0,1,0,1,0,0|2,0,0]=4 16154 B14R2.663 O=C1CC(C1)Sc2ccccc2O 62a_100009894365_100000739446 [0,1,0,1,0,0|2,0,0]=4 16155 B14R2.768 CC(=O)CC1Cc2ccccc2C1 1458a_100011217126_200000210301 [0,1,0,1,0,0|1,0,0]=3 16156 B14R2.768 CC(=O)CN1Cc2ccccc2C1 1458a_100015185064_200000210301 [0,1,0,1,0,0|2,0,0]=4 16157 B14R2.768 CC(=O)NC1Cc2ccccc2C1 11a_100000753258_100015343762 [0,1,0,1,0,0|2,0,0]=4 16158 B14R2.768 CC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100015343762 [0,1,0,1,0,0|2,0,0]=4 16159 B14R2.768 CC(=O)NC1Cc2ccccc2C1 240690a_100000753258_100015343762 [0,1,0,1,0,0|2,0,0]=4 16160 B14R2.768 CC(=O)NC1Cc2ccccc2C1 527a_100000753258_100103153847 [0,1,0,1,0,0|2,0,0]=4 16161 B14R2.768 NC(=O)CN1Cc2ccccc2C1 2230a_100000752595_100000747473 [0,1,0,1,0,0|2,0,0]=4 16162 B14R2.768 NC(=O)CN1Cc2ccccc2C1 269982a_100000752595_100000187820 [0,1,0,1,0,0|2,0,0]=4 16163 B14R2.768 NC(=O)CN1Cc2ccccc2C1 34a_100000752595_100000187820 [0,1,0,1,0,0|2,0,0]=4 16164 B14R2.768 O=C([O-])CN1Cc2ccccc2C1 269982a_100000752595_100020667443 [0,1,0,1,0,0|1,0,1]=4 16165 B14R2.768 O=C([O-])CN1Cc2ccccc2C1 34a_100000752595_100020667443 [0,1,0,1,0,0|1,0,1]=4 16166 B14R2.768 [13CH3]C(=O)CC1Cc2ccccc2C1 1458a_100011217126_200025704644 [0,1,0,1,0,0|1,0,0]=3 16167 B14R2.768 [13CH3]C(=O)CN1Cc2ccccc2C1 1458a_100015185064_200025704644 [0,1,0,1,0,0|2,0,0]=4 16168 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,1,0,1,0,0|1,0,0]=3 16169 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,1,0,1,0,0|1,0,0]=3 16170 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,1,0,1,0,0|2,0,0]=4 16171 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,1,0,1,0,0|2,0,0]=4 16172 B14R2.781 CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_200000210301 [0,1,0,1,0,0|2,0,0]=4 16173 B14R2.781 CC(=O)N1CCc2ccccc2C1 11a_100000188457_100015343762 [0,1,0,1,0,0|2,0,0]=4 16174 B14R2.781 CC(=O)N1CCc2ccccc2C1 1626a_100000188457_100015343762 [0,1,0,1,0,0|2,0,0]=4 16175 B14R2.781 CC(=O)N1CCc2ccccc2C1 240690a_100000188457_100015343762 [0,1,0,1,0,0|2,0,0]=4 16176 B14R2.781 CC(=O)N1CCc2ccccc2C1 527a_100000188457_100103153847 [0,1,0,1,0,0|2,0,0]=4 16177 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,1,0,1,0,0|1,0,0]=3 16178 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,1,0,1,0,0|1,0,0]=3 16179 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,1,0,1,0,0|2,0,0]=4 16180 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,1,0,1,0,0|2,0,0]=4 16181 B14R2.781 [13CH3]C(=O)C1Cc2ccccc2CO1 1458a_100009880028_200025704644 [0,1,0,1,0,0|2,0,0]=4 16182 B14R2.5443 CC(=O)C1CC1c2ccccc2Br 1458a_100000748278_200000210301 [0,1,0,1,0,0|1,0,0]=3 16183 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200000210301 [0,1,0,1,0,0|1,0,0]=3 16184 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Br 1458a_100000748278_200025704644 [0,1,0,1,0,0|1,0,0]=3 16185 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200025704644 [0,1,0,1,0,0|1,0,0]=3 16186 B14R2.28454 O=C1CCCc2c(cccc2N1)O 271570a_203496583355_200000700058 [0,1,0,1,0,0|1,0,0]=3 16187 B14R2.31 O=C1CCC1NCc2ccccc2 34a_100015324214_100009892977 [0,1,0,1,0,0|2,0,0]=4 16188 B14R2.31 O=C1CCC1OCc2ccccc2 34a_100000210790_100009892977 [0,1,0,1,0,0|2,0,0]=4 16189 B14R2.31 O=C1CCC1OCc2ccccc2 7a_100000210790_100009892977 [0,1,0,1,0,0|2,0,0]=4 16190 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100000211182_100009892977 [0,1,0,1,0,0|2,0,0]=4 16191 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100009892977_100015291786 [0,1,0,1,0,0|2,0,0]=4 16192 B14R2.20 Cc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000186775 [0,1,0,1,0,0|1,0,1]=4 16193 B14R2.20 Nc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000185761 [0,1,0,1,0,0|1,0,1]=4 16194 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Br 271570a_100010737933_100000752885 [0,1,0,1,0,0|1,0,1]=4 16195 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Cl 271570a_100010737933_100000755918 [0,1,0,1,0,0|1,0,1]=4 16196 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)F 271570a_100010737933_100000211213 [0,1,0,1,0,0|1,0,1]=4 16197 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)O 271570a_100010737933_100000185759 [0,1,0,1,0,0|1,0,1]=4 16198 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,1,0,1,0,0|1,0,0]=3 16199 B14R2.947 Cc1ccc(cc1)SC2CC(=O)C2 62a_100009894365_100000186775 [0,1,0,1,0,0|2,0,0]=4 16200 B14R2.947 Nc1ccc(cc1)SC2CC(=O)C2 62a_100009894365_100000185761 [0,1,0,1,0,0|2,0,0]=4 16201 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)Br 62a_100009894365_100000752885 [0,1,0,1,0,0|2,0,0]=4 16202 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)Cl 62a_100009894365_100000755918 [0,1,0,1,0,0|2,0,0]=4 16203 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)F 62a_100009894365_100000211213 [0,1,0,1,0,0|2,0,0]=4 16204 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)O 62a_100009894365_100000185759 [0,1,0,1,0,0|2,0,0]=4 16205 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200000210301 [0,1,0,1,0,0|1,0,0]=3 16206 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200000210301 [0,1,0,1,0,0|1,0,0]=3 16207 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200000210301 [0,1,0,1,0,0|1,0,0]=3 16208 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200025704644 [0,1,0,1,0,0|1,0,0]=3 16209 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200025704644 [0,1,0,1,0,0|1,0,0]=3 16210 B14R2.4402 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200025704644 [0,1,0,1,0,0|1,0,0]=3 16211 B14R2.5816 CC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_200000210301 [0,1,0,1,0,0|1,0,0]=3 16212 B14R2.5816 CC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_200000210301 [0,1,0,1,0,0|1,0,0]=3 16213 B14R2.5816 [13CH3]C(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_200025704644 [0,1,0,1,0,0|1,0,0]=3 16214 B14R2.5816 [13CH3]C(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_200025704644 [0,1,0,1,0,0|1,0,0]=3 16215 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [0,1,0,1,0,0|1,0,0]=3 16216 B14R2.95 CNC(=O)C1CCc2c1cccc2 11a_106832991635_100000750891 [0,1,0,1,0,0|1,0,0]=3 16217 B14R2.95 CNC(=O)C1CCc2c1cccc2 1626a_100102657272_100000750891 [0,1,0,1,0,0|1,0,0]=3 16218 B14R2.95 CNC(=O)C1CCc2c1cccc2 240690a_100102657272_100000750891 [0,1,0,1,0,0|1,0,0]=3 16219 B14R2.95 CNC(=O)C1CCc2c1cccc2 527a_100102657272_100000750891 [0,1,0,1,0,0|1,0,0]=3 16220 B14R2.95 O=C(CF)C1CCc2c1cccc2 1458a_100000750891_100015361967 [0,1,0,1,0,0|1,0,0]=3 16221 B14R2.958 CCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000210202 [0,1,0,1,0,0|2,0,0]=4 16222 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [0,1,0,1,0,0|1,0,0]=3 16223 B14R2.958 CNC(=O)C1CC1c2cccnc2 11a_106832991635_100000746292 [0,1,0,1,0,0|2,0,0]=4 16224 B14R2.958 CNC(=O)C1CC1c2cccnc2 1626a_100102657272_100000746292 [0,1,0,1,0,0|2,0,0]=4 16225 B14R2.958 CNC(=O)C1CC1c2cccnc2 240690a_100102657272_100000746292 [0,1,0,1,0,0|2,0,0]=4 16226 B14R2.958 CNC(=O)C1CC1c2cccnc2 527a_100102657272_100000746292 [0,1,0,1,0,0|2,0,0]=4 16227 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_106832991635_100009815801 [0,1,0,1,0,0|1,0,0]=3 16228 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102657272_100009815801 [0,1,0,1,0,0|1,0,0]=3 16229 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102657272_100009815801 [0,1,0,1,0,0|1,0,0]=3 16230 B14R2.958 O=C(CF)C1CC1c2cccnc2 1458a_100000746292_100015361967 [0,1,0,1,0,0|2,0,0]=4 16231 B14R2.958 O=C(CF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100015361967 [0,1,0,1,0,0|1,0,0]=3 16232 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 34a_200011345745_200025704644 [0,1,0,1,0,0|1,0,1]=4 16233 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 7a_200011345745_200025704644 [0,1,0,1,0,0|1,0,1]=4 16234 B14R2.3459 COC1(CCCc2c1cccc2)C 34a_200011345745_200000210301 [0,1,0,1,0,0|1,0,1]=4 16235 B14R2.3459 COC1(CCCc2c1cccc2)C 7a_200011345745_200000210301 [0,1,0,1,0,0|1,0,1]=4 16236 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,0,0,0,1,0|2,0,0]=4 16237 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,0,0,0,1,0|2,0,0]=4 16238 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,0,0,0,1,0|2,0,0]=4 16239 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [1,0,0,0,1,0|2,0,0]=4 16240 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [1,0,0,0,1,0|2,0,0]=4 16241 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [1,0,0,0,1,0|2,0,0]=4 16242 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [1,0,0,0,1,0|2,0,0]=4 16243 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,0,0,0,1,0|2,0,0]=4 16244 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,0,0,0,1,0|2,0,0]=4 16245 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,0,0,0,1,0|2,0,0]=4 16246 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,0,0,0,1,0|2,0,0]=4 16247 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [1,0,0,0,1,0|2,0,0]=4 16248 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [1,0,0,0,1,0|2,0,0]=4 16249 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,2,0|2,0,0]=4 16250 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,2,0|1,0,0]=3 16251 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,2,0|2,0,0]=4 16252 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,2,0|2,0,0]=4 16253 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,2,0|2,0,0]=4 16254 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,2,0|2,0,0]=4 16255 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,2,0|2,0,0]=4 16256 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,2,0|2,0,0]=4 16257 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,2,0|2,0,0]=4 16258 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,2,0|2,0,0]=4 16259 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,2,0|2,0,0]=4 16260 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,2,0|2,0,0]=4 16261 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,2,0|2,0,0]=4 16262 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,2,0|2,0,0]=4 16263 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,2,0|2,0,0]=4 16264 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,2,0|2,0,0]=4 16265 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,2,0|2,0,0]=4 16266 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,2,0|2,0,0]=4 16267 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,2,0|2,0,0]=4 16268 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,2,0|2,0,0]=4 16269 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,2,0|2,0,0]=4 16270 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,2,0|2,0,0]=4 16271 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,2,0|2,0,0]=4 16272 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,2,0|2,0,0]=4 16273 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,2,0|2,0,0]=4 16274 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,2,0|2,0,0]=4 16275 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,2,0|2,0,0]=4 16276 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,2,0|2,0,0]=4 16277 B14R1.422 C=C(Br)CCOCCc1ccccc1 34a_100009813270_100000765856 [0,0,0,0,0,2|2,0,0]=4 16278 B14R1.422 C=C(C)CCNCCc1ccccc1 2230a_100000106460_100000730704 [0,0,0,0,0,2|2,0,0]=4 16279 B14R1.422 C=C(C)CCNCCc1ccccc1 34a_100000106460_100000730704 [0,0,0,0,0,2|2,0,0]=4 16280 B14R1.422 C=C(C)CCOCCc1ccccc1 34a_100000210268_100000730704 [0,0,0,0,0,2|2,0,0]=4 16281 B14R1.422 C=C(C)CCOCCc1ccccc1 34a_100000764851_100000765856 [0,0,0,0,0,2|2,0,0]=4 16282 B14R1.422 C=C(C)CCOCCc1ccccc1 7a_100000210268_100000730704 [0,0,0,0,0,2|2,0,0]=4 16283 B14R1.422 C=C(C)CCSCCc1ccccc1 62a_100000730704_100011218657 [0,0,0,0,0,2|2,0,0]=4 16284 B14R1.422 C=C(C)CCSCCc1ccccc1 62a_100000765856_100000730704 [0,0,0,0,0,2|2,0,0]=4 16285 B14R1.422 C=C(C)CCSCSc1ccccc1 62a_100000730704_100011218342 [0,0,0,0,0,2|2,0,0]=4 16286 B14R1.422 C=C(C)CCSCSc1ccccc1 62a_100011218342_100000730704 [0,0,0,0,0,2|2,0,0]=4 16287 B14R1.422 C=C(C)CNCCCc1ccccc1 2230a_100000211184_100000748629 [0,0,0,0,0,2|2,0,0]=4 16288 B14R1.422 C=C(C)CNCCCc1ccccc1 34a_100000211184_100000748629 [0,0,0,0,0,2|2,0,0]=4 16289 B14R1.422 C=C(C)CNCCOc1ccccc1 2230a_100000174943_100000748629 [0,0,0,0,0,2|2,0,0]=4 16290 B14R1.422 C=C(C)CNCCOc1ccccc1 34a_100000174943_100000748629 [0,0,0,0,0,2|2,0,0]=4 16291 B14R1.422 C=C(C)CNCCSc1ccccc1 2230a_100000189519_100000748629 [0,0,0,0,0,2|2,0,0]=4 16292 B14R1.422 C=C(C)COCCCc1ccccc1 34a_100000210245_100000211621 [0,0,0,0,0,2|2,0,0]=4 16293 B14R1.422 C=C(C)COCCCc1ccccc1 34a_100000210828_100000748629 [0,0,0,0,0,2|2,0,0]=4 16294 B14R1.422 C=C(C)COCCCc1ccccc1 7a_100000210828_100000748629 [0,0,0,0,0,2|2,0,0]=4 16295 B14R1.422 C=C(C)COCCNc1ccccc1 34a_100000211345_100000748629 [0,0,0,0,0,2|2,0,0]=4 16296 B14R1.422 C=C(C)COCCOc1ccccc1 34a_100000210245_100000184471 [0,0,0,0,0,2|2,0,0]=4 16297 B14R1.422 C=C(C)COCCOc1ccccc1 34a_100000210260_100000748629 [0,0,0,0,0,2|2,0,0]=4 16298 B14R1.422 C=C(C)COCCOc1ccccc1 7a_100000210260_100000748629 [0,0,0,0,0,2|2,0,0]=4 16299 B14R1.422 C=C(C)COCCSc1ccccc1 34a_100000210245_100000246102 [0,0,0,0,0,2|2,0,0]=4 16300 B14R1.422 C=C(C)COCCSc1ccccc1 7a_100000230494_100000748629 [0,0,0,0,0,2|2,0,0]=4 16301 B14R1.422 C=C(C)COCOCc1ccccc1 34a_100000210245_100000763385 [0,0,0,0,0,2|2,0,0]=4 16302 B14R1.422 C=C(C)COCSCc1ccccc1 34a_100000210245_200011217039 [0,0,0,0,0,2|2,0,0]=4 16303 B14R1.422 C=C(C)CSCCCc1ccccc1 62a_100000211621_100000211660 [0,0,0,0,0,2|2,0,0]=4 16304 B14R1.422 C=C(C)CSCCCc1ccccc1 62a_100000748629_100000211621 [0,0,0,0,0,2|2,0,0]=4 16305 B14R1.422 C=C(C)CSCCOc1ccccc1 62a_100000184471_100000211660 [0,0,0,0,0,2|2,0,0]=4 16306 B14R1.422 C=C(C)CSCCOc1ccccc1 62a_100000748629_100000184471 [0,0,0,0,0,2|2,0,0]=4 16307 B14R1.422 C=C(C)CSCCSc1ccccc1 62a_100000246102_100000211660 [0,0,0,0,0,2|2,0,0]=4 16308 B14R1.422 C=C(C)CSCCSc1ccccc1 62a_100000748629_100000246102 [0,0,0,0,0,2|2,0,0]=4 16309 B14R1.422 C=C(C)CSCOCc1ccccc1 62a_100000748629_100000763385 [0,0,0,0,0,2|2,0,0]=4 16310 B14R1.422 C=C(C)CSCOCc1ccccc1 62a_100000763385_100000211660 [0,0,0,0,0,2|2,0,0]=4 16311 B14R1.422 C=C(C)CSCSCc1ccccc1 62a_100000748629_200011217039 [0,0,0,0,0,2|2,0,0]=4 16312 B14R1.422 C=C(C)CSCSCc1ccccc1 62a_200011217039_100000211660 [0,0,0,0,0,2|2,0,0]=4 16313 B14R1.422 C=C(F)CNCCCc1ccccc1 2230a_100000211184_100009893438 [0,0,0,0,0,2|2,0,0]=4 16314 B14R1.422 C=C(F)CNCCCc1ccccc1 34a_100000211184_100009893438 [0,0,0,0,0,2|2,0,0]=4 16315 B14R1.422 C=C(F)CNCCOc1ccccc1 2230a_100000174943_100009893438 [0,0,0,0,0,2|2,0,0]=4 16316 B14R1.422 C=C(F)CNCCOc1ccccc1 34a_100000174943_100009893438 [0,0,0,0,0,2|2,0,0]=4 16317 B14R1.422 C=C(F)CNCCSc1ccccc1 2230a_100000189519_100009893438 [0,0,0,0,0,2|2,0,0]=4 16318 B14R1.422 C=C(F)COCCCc1ccccc1 34a_100000210828_100009893438 [0,0,0,0,0,2|2,0,0]=4 16319 B14R1.422 C=C(F)COCCCc1ccccc1 34a_200010262243_100000211621 [0,0,0,0,0,2|2,0,0]=4 16320 B14R1.422 C=C(F)COCCCc1ccccc1 7a_100000210828_100000042424 [0,0,0,0,0,2|2,0,0]=4 16321 B14R1.422 C=C(F)COCCNc1ccccc1 34a_100000211345_100009893438 [0,0,0,0,0,2|2,0,0]=4 16322 B14R1.422 C=C(F)COCCOc1ccccc1 34a_100000210260_100009893438 [0,0,0,0,0,2|2,0,0]=4 16323 B14R1.422 C=C(F)COCCOc1ccccc1 34a_200010262243_100000184471 [0,0,0,0,0,2|2,0,0]=4 16324 B14R1.422 C=C(F)COCCOc1ccccc1 7a_100000210260_100000042424 [0,0,0,0,0,2|2,0,0]=4 16325 B14R1.422 C=C(F)COCCSc1ccccc1 34a_200010262243_100000246102 [0,0,0,0,0,2|2,0,0]=4 16326 B14R1.422 C=C(F)COCCSc1ccccc1 7a_100000230494_100000042424 [0,0,0,0,0,2|2,0,0]=4 16327 B14R1.422 C=C(F)COCOCc1ccccc1 34a_200010262243_100000763385 [0,0,0,0,0,2|2,0,0]=4 16328 B14R1.422 C=C(F)COCSCc1ccccc1 34a_200010262243_200011217039 [0,0,0,0,0,2|2,0,0]=4 16329 B14R1.422 C=C(F)CSCCCc1ccccc1 62a_100000042424_100000211621 [0,0,0,0,0,2|2,0,0]=4 16330 B14R1.422 C=C(F)CSCCCc1ccccc1 62a_100000211621_100000042424 [0,0,0,0,0,2|2,0,0]=4 16331 B14R1.422 C=C(F)CSCCOc1ccccc1 62a_100000042424_100000184471 [0,0,0,0,0,2|2,0,0]=4 16332 B14R1.422 C=C(F)CSCCOc1ccccc1 62a_100000184471_100000042424 [0,0,0,0,0,2|2,0,0]=4 16333 B14R1.422 C=C(F)CSCCSc1ccccc1 62a_100000042424_100000246102 [0,0,0,0,0,2|2,0,0]=4 16334 B14R1.422 C=C(F)CSCCSc1ccccc1 62a_100000246102_100000042424 [0,0,0,0,0,2|2,0,0]=4 16335 B14R1.422 C=C(F)CSCOCc1ccccc1 62a_100000042424_100000763385 [0,0,0,0,0,2|2,0,0]=4 16336 B14R1.422 C=C(F)CSCOCc1ccccc1 62a_100000763385_100000042424 [0,0,0,0,0,2|2,0,0]=4 16337 B14R1.422 C=C(F)CSCSCc1ccccc1 62a_100000042424_200011217039 [0,0,0,0,0,2|2,0,0]=4 16338 B14R1.422 C=C(F)CSCSCc1ccccc1 62a_200011217039_100000042424 [0,0,0,0,0,2|2,0,0]=4 16339 B14R1.422 CC(=CCCNCc1ccccc1)C 2230a_100015324214_100011217483 [0,0,0,0,0,2|2,0,0]=4 16340 B14R1.422 CC(=CCCNCc1ccccc1)C 34a_100015324214_100011217483 [0,0,0,0,0,2|2,0,0]=4 16341 B14R1.422 CC(=CCCOCc1ccccc1)C 34a_100000210790_100011217483 [0,0,0,0,0,2|2,0,0]=4 16342 B14R1.422 CC(=CCCOCc1ccccc1)C 7a_100000210790_100011217483 [0,0,0,0,0,2|2,0,0]=4 16343 B14R1.422 CC(=CCCSCc1ccccc1)C 62a_100000211182_100011217483 [0,0,0,0,0,2|2,0,0]=4 16344 B14R1.422 CC(=CCCSCc1ccccc1)C 62a_100011217483_100015291786 [0,0,0,0,0,2|2,0,0]=4 16345 B14R1.422 CC(=CCNCCc1ccccc1)C 2230a_100000106460_100000761012 [0,0,0,0,0,2|2,0,0]=4 16346 B14R1.422 CC(=CCNCCc1ccccc1)C 34a_100000106460_100000761012 [0,0,0,0,0,2|2,0,0]=4 16347 B14R1.422 CC(=CCNCCc1ccccc1)C 34a_100000718196_100000765856 [0,0,0,0,0,2|2,0,0]=4 16348 B14R1.422 CC(=CCOCCc1ccccc1)C 34a_100000210268_100000761012 [0,0,0,0,0,2|2,0,0]=4 16349 B14R1.422 CC(=CCOCCc1ccccc1)C 34a_100000753907_100000765856 [0,0,0,0,0,2|2,0,0]=4 16350 B14R1.422 CC(=CCOCCc1ccccc1)C 7a_100000210268_100000761012 [0,0,0,0,0,2|2,0,0]=4 16351 B14R1.422 CC(=CCSCCc1ccccc1)C 62a_100000761012_100011218657 [0,0,0,0,0,2|2,0,0]=4 16352 B14R1.422 CC(=CCSCCc1ccccc1)C 62a_100000765856_100000761012 [0,0,0,0,0,2|2,0,0]=4 16353 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [0,0,0,0,0,2|1,0,0]=3 16354 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [0,0,0,0,0,2|1,0,0]=3 16355 B14R1.422 CC(=O)CCCCNc1ccccc1 34a_100000106764_100009817362 [0,0,0,0,0,2|1,0,0]=3 16356 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_100000070787_100011215240 [0,0,0,0,0,2|1,0,0]=3 16357 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_200011216290_200000210301 [0,0,0,0,0,2|1,0,0]=3 16358 B14R1.422 CC(=O)CCCCOc1ccccc1 34a_100000210340_100009817362 [0,0,0,0,0,2|1,0,0]=3 16359 B14R1.422 CC(=O)CCCCOc1ccccc1 7a_100000210340_100000735457 [0,0,0,0,0,2|1,0,0]=3 16360 B14R1.422 CC(=O)CCCCOc1cccnc1 34a_100000210849_100009817362 [0,0,0,0,0,2|2,0,0]=4 16361 B14R1.422 CC(=O)CCCCOc1cccnc1 7a_100000210849_100000735457 [0,0,0,0,0,2|2,0,0]=4 16362 B14R1.422 CC(=O)CCCCOc1ccncc1 34a_100000212176_100009817362 [0,0,0,0,0,2|2,0,0]=4 16363 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000719477_100000735457 [0,0,0,0,0,2|1,0,0]=3 16364 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000735457_100000041952 [0,0,0,0,0,2|1,0,0]=3 16365 B14R1.422 CC(=O)CCCCSc1ccccn1 62a_100000735457_100011216584 [0,0,0,0,0,2|2,0,0]=4 16366 B14R1.422 CC(=O)CCCCSc1ccccn1 62a_100011216584_100000735457 [0,0,0,0,0,2|2,0,0]=4 16367 B14R1.422 CC(=O)CCCCSc1cccnc1 62a_100000210063_100000735457 [0,0,0,0,0,2|2,0,0]=4 16368 B14R1.422 CC(=O)CCCCSc1cccnc1 62a_100000735457_100000210063 [0,0,0,0,0,2|2,0,0]=4 16369 B14R1.422 CC(=O)CCCCSc1ccncc1 62a_100000728582_100000735457 [0,0,0,0,0,2|2,0,0]=4 16370 B14R1.422 CC(=O)CCCCSc1ccncc1 62a_100000735457_100000728582 [0,0,0,0,0,2|2,0,0]=4 16371 B14R1.422 CC(=O)CCCNCc1ccccc1 34a_100015324214_100000685027 [0,0,0,0,0,2|1,0,0]=3 16372 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000070787_100011215529 [0,0,0,0,0,2|1,0,0]=3 16373 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000748059_200000210301 [0,0,0,0,0,2|1,0,0]=3 16374 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000210790_100000685027 [0,0,0,0,0,2|1,0,0]=3 16375 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000759063_100015291786 [0,0,0,0,0,2|1,0,0]=3 16376 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000210790_100011215641 [0,0,0,0,0,2|1,0,0]=3 16377 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000759063_100000211182 [0,0,0,0,0,2|1,0,0]=3 16378 B14R1.422 CC(=O)CCCOCc1ccccn1 34a_100000759063_100000721315 [0,0,0,0,0,2|2,0,0]=4 16379 B14R1.422 CC(=O)CCCOCc1ccccn1 7a_100000759063_100000721315 [0,0,0,0,0,2|2,0,0]=4 16380 B14R1.422 CC(=O)CCCOCc1cccnc1 34a_100000759063_100000733263 [0,0,0,0,0,2|2,0,0]=4 16381 B14R1.422 CC(=O)CCCOCc1cccnc1 7a_100000759063_100000741622 [0,0,0,0,0,2|2,0,0]=4 16382 B14R1.422 CC(=O)CCCOCc1ccncc1 7a_100000759063_100015193705 [0,0,0,0,0,2|2,0,0]=4 16383 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100000211182_100011215641 [0,0,0,0,0,2|1,0,0]=3 16384 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100011215641_100015291786 [0,0,0,0,0,2|1,0,0]=3 16385 B14R1.422 CC(=O)CCCSCc1ccccn1 62a_100000721315_100011215641 [0,0,0,0,0,2|2,0,0]=4 16386 B14R1.422 CC(=O)CCCSCc1ccccn1 62a_100011215641_100000721315 [0,0,0,0,0,2|2,0,0]=4 16387 B14R1.422 CC(=O)CCCSCc1cccnc1 62a_100000741622_100011215641 [0,0,0,0,0,2|2,0,0]=4 16388 B14R1.422 CC(=O)CCCSCc1cccnc1 62a_100011215641_100000741622 [0,0,0,0,0,2|2,0,0]=4 16389 B14R1.422 CC(=O)CCCSCc1ccncc1 62a_100011215641_100015193705 [0,0,0,0,0,2|2,0,0]=4 16390 B14R1.422 CC(=O)CCCSCc1ccncc1 62a_100015193705_100011215641 [0,0,0,0,0,2|2,0,0]=4 16391 B14R1.422 CC(=O)CCOCCc1ccccc1 34a_100000759926_100000765856 [0,0,0,0,0,2|1,0,0]=3 16392 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000210268_100000053229 [0,0,0,0,0,2|1,0,0]=3 16393 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000759926_100000765856 [0,0,0,0,0,2|1,0,0]=3 16394 B14R1.422 CC(=O)CCOCCc1ccccn1 7a_100000759926_100015183660 [0,0,0,0,0,2|2,0,0]=4 16395 B14R1.422 CC(=O)CCOCCc1cccnc1 7a_100000759926_200011713674 [0,0,0,0,0,2|2,0,0]=4 16396 B14R1.422 CC(=O)CCOCCc1ccncc1 7a_100000759926_100000723409 [0,0,0,0,0,2|2,0,0]=4 16397 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000053229_100011218657 [0,0,0,0,0,2|1,0,0]=3 16398 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000765856_100000053229 [0,0,0,0,0,2|1,0,0]=3 16399 B14R1.422 CC(=O)CCSCCc1ccccn1 62a_100000053229_100015183660 [0,0,0,0,0,2|2,0,0]=4 16400 B14R1.422 CC(=O)CCSCCc1ccccn1 62a_100015183660_100000053229 [0,0,0,0,0,2|2,0,0]=4 16401 B14R1.422 CC(=O)CCSCCc1cccnc1 62a_100000053229_200011713674 [0,0,0,0,0,2|2,0,0]=4 16402 B14R1.422 CC(=O)CCSCCc1cccnc1 62a_200011713674_100000053229 [0,0,0,0,0,2|2,0,0]=4 16403 B14R1.422 CC(=O)CCSCCc1ccncc1 62a_100000053229_100000723409 [0,0,0,0,0,2|2,0,0]=4 16404 B14R1.422 CC(=O)CCSCCc1ccncc1 62a_100000723409_100000053229 [0,0,0,0,0,2|2,0,0]=4 16405 B14R1.422 CC(=O)CCSCSc1ccccc1 62a_100000053229_100011218342 [0,0,0,0,0,2|1,0,0]=3 16406 B14R1.422 CC(=O)CCSCSc1ccccc1 62a_100011218342_100000053229 [0,0,0,0,0,2|1,0,0]=3 16407 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [0,0,0,0,0,2|1,0,1]=4 16408 B14R1.422 CC(=O)COCC#Cc1ccccc1 34a_100000211253_100011352542 [0,0,0,0,0,2|1,0,1]=4 16409 B14R1.422 CC(=O)COCCCc1ccccc1 34a_100000211253_100000211621 [0,0,0,0,0,2|1,0,0]=3 16410 B14R1.422 CC(=O)COCCOc1ccccc1 34a_100000211253_100000184471 [0,0,0,0,0,2|1,0,0]=3 16411 B14R1.422 CC(=O)COCCSc1ccccc1 34a_100000211253_100000246102 [0,0,0,0,0,2|1,0,0]=3 16412 B14R1.422 CC(=O)COCOCc1ccccc1 34a_100000211253_100000763385 [0,0,0,0,0,2|1,0,0]=3 16413 B14R1.422 CC(=O)COCSCc1ccccc1 34a_100000211253_200011217039 [0,0,0,0,0,2|1,0,0]=3 16414 B14R1.422 CC(=O)CSCCOc1ccccc1 1458a_200000150159_200000210301 [0,0,0,0,0,2|1,0,0]=3 16415 B14R1.422 CC(=O)NCCCCc1ccccc1 11a_100015280158_100015343762 [0,0,0,0,0,2|1,0,0]=3 16416 B14R1.422 CC(=O)NCCCCc1ccccc1 1626a_100015280158_100015343762 [0,0,0,0,0,2|1,0,0]=3 16417 B14R1.422 CC(=O)NCCCCc1ccccc1 240690a_100015280158_100015343762 [0,0,0,0,0,2|1,0,0]=3 16418 B14R1.422 CC(=O)NCCCCc1ccccc1 527a_100015280158_100103153847 [0,0,0,0,0,2|1,0,0]=3 16419 B14R1.422 CC(=O)NCCCOc1ccccc1 11a_100000216521_100015343762 [0,0,0,0,0,2|1,0,0]=3 16420 B14R1.422 CC(=O)NCCCOc1ccccc1 1626a_100000216521_100015343762 [0,0,0,0,0,2|1,0,0]=3 16421 B14R1.422 CC(=O)NCCCOc1ccccc1 240690a_100000216521_100015343762 [0,0,0,0,0,2|1,0,0]=3 16422 B14R1.422 CC(=O)NCCCOc1ccccc1 527a_100000216521_100103153847 [0,0,0,0,0,2|1,0,0]=3 16423 B14R1.422 CC(=O)NCCCSc1ccccc1 11a_100000184639_100015343762 [0,0,0,0,0,2|1,0,0]=3 16424 B14R1.422 CC(=O)NCCCSc1ccccc1 240690a_100000184639_100015343762 [0,0,0,0,0,2|1,0,0]=3 16425 B14R1.422 CC(=O)NCCCSc1ccccc1 527a_100000184639_100103153847 [0,0,0,0,0,2|1,0,0]=3 16426 B14R1.422 CC(=O)NCCNCc1ccccc1 207a_100000209853_100015611070 [0,0,0,0,0,2|1,0,0]=3 16427 B14R1.422 CC(=O)NCCNCc1ccccc1 2230a_100000209853_100015291786 [0,0,0,0,0,2|1,0,0]=3 16428 B14R1.422 CC(=O)NCCNCc1ccccc1 2230a_100015324214_100000189650 [0,0,0,0,0,2|1,0,0]=3 16429 B14R1.422 CC(=O)NCCNCc1ccccn1 207a_100000209853_100000209966 [0,0,0,0,0,2|2,0,0]=4 16430 B14R1.422 CC(=O)NCCNCc1ccccn1 2230a_100000209853_100000721315 [0,0,0,0,0,2|2,0,0]=4 16431 B14R1.422 CC(=O)NCCNCc1cccnc1 207a_100000209853_100000209961 [0,0,0,0,0,2|2,0,0]=4 16432 B14R1.422 CC(=O)NCCNCc1cccnc1 2230a_100000209853_100000741622 [0,0,0,0,0,2|2,0,0]=4 16433 B14R1.422 CC(=O)NCCNCc1ccncc1 207a_100000209853_100000186114 [0,0,0,0,0,2|2,0,0]=4 16434 B14R1.422 CC(=O)NCCNCc1ccncc1 2230a_100000209853_100015193705 [0,0,0,0,0,2|2,0,0]=4 16435 B14R1.422 CC(=O)NCCOCc1ccccc1 11a_100000753106_100015343762 [0,0,0,0,0,2|1,0,0]=3 16436 B14R1.422 CC(=O)NCCOCc1ccccc1 1626a_100000753106_100015343762 [0,0,0,0,0,2|1,0,0]=3 16437 B14R1.422 CC(=O)NCCOCc1ccccc1 240690a_100000753106_100015343762 [0,0,0,0,0,2|1,0,0]=3 16438 B14R1.422 CC(=O)NCCOCc1ccccc1 34a_100000158858_100015291786 [0,0,0,0,0,2|1,0,0]=3 16439 B14R1.422 CC(=O)NCCOCc1ccccc1 527a_100000753106_100103153847 [0,0,0,0,0,2|1,0,0]=3 16440 B14R1.422 CC(=O)NCCOCc1ccccc1 7a_100000210790_100000189650 [0,0,0,0,0,2|1,0,0]=3 16441 B14R1.422 CC(=O)NCCOCc1ccccn1 34a_100000158858_100000721315 [0,0,0,0,0,2|2,0,0]=4 16442 B14R1.422 CC(=O)NCCOCc1cccnc1 34a_100000158858_100000733263 [0,0,0,0,0,2|2,0,0]=4 16443 B14R1.422 CC(=O)NCCSCc1ccccc1 11a_100000189534_100015343762 [0,0,0,0,0,2|1,0,0]=3 16444 B14R1.422 CC(=O)NCCSCc1ccccc1 240690a_100000189534_100015343762 [0,0,0,0,0,2|1,0,0]=3 16445 B14R1.422 CC(=O)NCCSCc1ccccc1 527a_100000189534_100103153847 [0,0,0,0,0,2|1,0,0]=3 16446 B14R1.422 CC(=O)NCCSCc1ccccc1 62a_100000189650_100015291786 [0,0,0,0,0,2|1,0,0]=3 16447 B14R1.422 CC(=O)NCCSCc1ccccc1 62a_100000211182_100000189650 [0,0,0,0,0,2|1,0,0]=3 16448 B14R1.422 CC(=O)NCCSCc1ccccn1 62a_100000189650_100000721315 [0,0,0,0,0,2|2,0,0]=4 16449 B14R1.422 CC(=O)NCCSCc1ccccn1 62a_100000721315_100000189650 [0,0,0,0,0,2|2,0,0]=4 16450 B14R1.422 CC(=O)NCCSCc1cccnc1 62a_100000189650_100000741622 [0,0,0,0,0,2|2,0,0]=4 16451 B14R1.422 CC(=O)NCCSCc1cccnc1 62a_100000741622_100000189650 [0,0,0,0,0,2|2,0,0]=4 16452 B14R1.422 CC(=O)NCCSCc1ccncc1 62a_100000189650_100015193705 [0,0,0,0,0,2|2,0,0]=4 16453 B14R1.422 CC(=O)NCCSCc1ccncc1 62a_100015193705_100000189650 [0,0,0,0,0,2|2,0,0]=4 16454 B14R1.422 CC(=O)NN=CCCc1ccccc1 4a_100000189765_100000198083 [0,0,0,0,0,2|1,0,1]=4 16455 B14R1.422 CC(=O)OCCCNc1ccccc1 34a_100000106764_100000042594 [0,0,0,0,0,2|1,0,0]=3 16456 B14R1.422 CC(=O)OCCCOc1ccccc1 34a_100000210340_100000042594 [0,0,0,0,0,2|1,0,0]=3 16457 B14R1.422 CC(=O)OCCCOc1ccccc1 7a_100000210340_100000042594 [0,0,0,0,0,2|1,0,0]=3 16458 B14R1.422 CC(=O)OCCCOc1cccnc1 34a_100000210849_100000042594 [0,0,0,0,0,2|2,0,0]=4 16459 B14R1.422 CC(=O)OCCCOc1cccnc1 7a_100000210849_100000042594 [0,0,0,0,0,2|2,0,0]=4 16460 B14R1.422 CC(=O)OCCCOc1ccncc1 34a_100000212176_100000042594 [0,0,0,0,0,2|2,0,0]=4 16461 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000042594_100000041952 [0,0,0,0,0,2|1,0,0]=3 16462 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000719477_100000042594 [0,0,0,0,0,2|1,0,0]=3 16463 B14R1.422 CC(=O)OCCCSc1ccccn1 62a_100000042594_100011216584 [0,0,0,0,0,2|2,0,0]=4 16464 B14R1.422 CC(=O)OCCCSc1ccccn1 62a_100011216584_100000042594 [0,0,0,0,0,2|2,0,0]=4 16465 B14R1.422 CC(=O)OCCCSc1cccnc1 62a_100000042594_100000210063 [0,0,0,0,0,2|2,0,0]=4 16466 B14R1.422 CC(=O)OCCCSc1cccnc1 62a_100000210063_100000042594 [0,0,0,0,0,2|2,0,0]=4 16467 B14R1.422 CC(=O)OCCCSc1ccncc1 62a_100000042594_100000728582 [0,0,0,0,0,2|2,0,0]=4 16468 B14R1.422 CC(=O)OCCCSc1ccncc1 62a_100000728582_100000042594 [0,0,0,0,0,2|2,0,0]=4 16469 B14R1.422 CC(=O)OCCNCc1ccccc1 34a_100015324214_100009814007 [0,0,0,0,0,2|1,0,0]=3 16470 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [0,0,0,0,0,2|1,0,0]=3 16471 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [0,0,0,0,0,2|1,0,0]=3 16472 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100000211182_100009814007 [0,0,0,0,0,2|1,0,0]=3 16473 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100009814007_100015291786 [0,0,0,0,0,2|1,0,0]=3 16474 B14R1.422 CC(=O)OCCSCc1ccccn1 62a_100000721315_100009814007 [0,0,0,0,0,2|2,0,0]=4 16475 B14R1.422 CC(=O)OCCSCc1ccccn1 62a_100009814007_100000721315 [0,0,0,0,0,2|2,0,0]=4 16476 B14R1.422 CC(=O)OCCSCc1cccnc1 62a_100000741622_100009814007 [0,0,0,0,0,2|2,0,0]=4 16477 B14R1.422 CC(=O)OCCSCc1cccnc1 62a_100009814007_100000741622 [0,0,0,0,0,2|2,0,0]=4 16478 B14R1.422 CC(=O)OCCSCc1ccncc1 62a_100009814007_100015193705 [0,0,0,0,0,2|2,0,0]=4 16479 B14R1.422 CC(=O)OCCSCc1ccncc1 62a_100015193705_100009814007 [0,0,0,0,0,2|2,0,0]=4 16480 B14R1.422 CC(=O)OCNCCc1ccccc1 34a_100000106460_100009813279 [0,0,0,0,0,2|1,0,0]=3 16481 B14R1.422 CC(=O)OCOCCc1ccccc1 34a_100000210268_100009813279 [0,0,0,0,0,2|1,0,0]=3 16482 B14R1.422 CC(=O)OCOCCc1ccccn1 34a_100000210271_100009813279 [0,0,0,0,0,2|2,0,0]=4 16483 B14R1.422 CC(=O)OCOCCc1cccnc1 34a_100011217484_100009813279 [0,0,0,0,0,2|2,0,0]=4 16484 B14R1.422 CC(=O)OCOCCc1ccncc1 34a_100011216225_100009813279 [0,0,0,0,0,2|2,0,0]=4 16485 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000076356_100011218657 [0,0,0,0,0,2|1,0,0]=3 16486 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000765856_100000076356 [0,0,0,0,0,2|1,0,0]=3 16487 B14R1.422 CC(=O)OCSCCc1ccccn1 62a_100000076356_100015183660 [0,0,0,0,0,2|2,0,0]=4 16488 B14R1.422 CC(=O)OCSCCc1ccccn1 62a_100015183660_100000076356 [0,0,0,0,0,2|2,0,0]=4 16489 B14R1.422 CC(=O)OCSCCc1cccnc1 62a_100000076356_200011713674 [0,0,0,0,0,2|2,0,0]=4 16490 B14R1.422 CC(=O)OCSCCc1cccnc1 62a_200011713674_100000076356 [0,0,0,0,0,2|2,0,0]=4 16491 B14R1.422 CC(=O)OCSCCc1ccncc1 62a_100000076356_100000723409 [0,0,0,0,0,2|2,0,0]=4 16492 B14R1.422 CC(=O)OCSCCc1ccncc1 62a_100000723409_100000076356 [0,0,0,0,0,2|2,0,0]=4 16493 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100000076356_100011218342 [0,0,0,0,0,2|2,0,0]=4 16494 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100011218342_100000076356 [0,0,0,0,0,2|2,0,0]=4 16495 B14R1.422 CC(=O)SCCCNc1ccccc1 34a_100000106764_100000038929 [0,0,0,0,0,2|1,0,0]=3 16496 B14R1.422 CC(=O)SCCCOc1ccccc1 34a_100000210340_100000038929 [0,0,0,0,0,2|1,0,0]=3 16497 B14R1.422 CC(=O)SCCCOc1ccccc1 7a_100000210340_100000038929 [0,0,0,0,0,2|1,0,0]=3 16498 B14R1.422 CC(=O)SCCCOc1cccnc1 34a_100000210849_100000038929 [0,0,0,0,0,2|2,0,0]=4 16499 B14R1.422 CC(=O)SCCCOc1cccnc1 7a_100000210849_100000038929 [0,0,0,0,0,2|2,0,0]=4 16500 B14R1.422 CC(=O)SCCCOc1ccncc1 34a_100000212176_100000038929 [0,0,0,0,0,2|2,0,0]=4 16501 B14R1.422 CC(=O)SCCCSc1ccccc1 62a_100000038929_100000041952 [0,0,0,0,0,2|1,0,0]=3 16502 B14R1.422 CC(=O)SCCCSc1ccccc1 62a_100000719477_100000038929 [0,0,0,0,0,2|1,0,0]=3 16503 B14R1.422 CC(=O)SCCCSc1ccccn1 62a_100000038929_100011216584 [0,0,0,0,0,2|2,0,0]=4 16504 B14R1.422 CC(=O)SCCCSc1ccccn1 62a_100011216584_100000038929 [0,0,0,0,0,2|2,0,0]=4 16505 B14R1.422 CC(=O)SCCCSc1cccnc1 62a_100000038929_100000210063 [0,0,0,0,0,2|2,0,0]=4 16506 B14R1.422 CC(=O)SCCCSc1cccnc1 62a_100000210063_100000038929 [0,0,0,0,0,2|2,0,0]=4 16507 B14R1.422 CC(=O)SCCCSc1ccncc1 62a_100000038929_100000728582 [0,0,0,0,0,2|2,0,0]=4 16508 B14R1.422 CC(=O)SCCCSc1ccncc1 62a_100000728582_100000038929 [0,0,0,0,0,2|2,0,0]=4 16509 B14R1.422 CC(=S)OCCCNc1ccccc1 34a_100000106764_200135323944 [0,0,0,0,0,2|1,1,0]=4 16510 B14R1.422 CC(=S)OCCCOc1ccccc1 34a_100000210340_200135323944 [0,0,0,0,0,2|1,1,0]=4 16511 B14R1.422 CC(=S)OCCCOc1ccccc1 7a_100000210340_200135323944 [0,0,0,0,0,2|1,1,0]=4 16512 B14R1.422 CC(=S)OCCCSc1ccccc1 62a_100000719477_200135323944 [0,0,0,0,0,2|1,1,0]=4 16513 B14R1.422 CC(=S)OCCCSc1ccccc1 62a_200135323944_100000041952 [0,0,0,0,0,2|1,1,0]=4 16514 B14R1.422 CC(O)CCCNCc1ccccc1 2230a_100015324214_200000718107 [0,0,0,0,0,2|1,0,1]=4 16515 B14R1.422 CC(O)CCCNCc1ccccc1 34a_100015324214_200000718107 [0,0,0,0,0,2|1,0,1]=4 16516 B14R1.422 CC(O)CCCOCc1ccccc1 34a_100000210790_200000718107 [0,0,0,0,0,2|1,0,1]=4 16517 B14R1.422 CC(O)CCCOCc1ccccc1 7a_100000210790_200000718107 [0,0,0,0,0,2|1,0,1]=4 16518 B14R1.422 CC(O)CCCSCc1ccccc1 62a_100000211182_200000718107 [0,0,0,0,0,2|1,0,1]=4 16519 B14R1.422 CC(O)CCCSCc1ccccc1 62a_200000718107_100015291786 [0,0,0,0,0,2|1,0,1]=4 16520 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_100000106460_100012276601 [0,0,0,0,0,2|1,0,1]=4 16521 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_200000755665_100000765856 [0,0,0,0,0,2|1,0,1]=4 16522 B14R1.422 CC(O)CCNCCc1ccccc1 34a_100000106460_100012276601 [0,0,0,0,0,2|1,0,1]=4 16523 B14R1.422 CC(O)CCNCSc1ccccc1 2230a_200000755665_100011218342 [0,0,0,0,0,2|1,0,1]=4 16524 B14R1.422 CC(O)CCOCCc1ccccc1 34a_100000210268_100012276601 [0,0,0,0,0,2|1,0,1]=4 16525 B14R1.422 CC(O)CCOCCc1ccccc1 7a_100000210268_100012276601 [0,0,0,0,0,2|1,0,1]=4 16526 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100000765856_100012276601 [0,0,0,0,0,2|1,0,1]=4 16527 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100012276601_100011218657 [0,0,0,0,0,2|1,0,1]=4 16528 B14R1.422 CC(O)CCSCSc1ccccc1 62a_100011218342_100012276601 [0,0,0,0,0,2|1,0,1]=4 16529 B14R1.422 CC(O)CCSCSc1ccccc1 62a_100012276601_100011218342 [0,0,0,0,0,2|1,0,1]=4 16530 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000210904_100000211621 [0,0,0,0,0,2|1,0,1]=4 16531 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000211184_100011218427 [0,0,0,0,0,2|1,0,1]=4 16532 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000210904_100000211621 [0,0,0,0,0,2|1,0,1]=4 16533 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000211184_100011218427 [0,0,0,0,0,2|1,0,1]=4 16534 B14R1.422 CC(O)CNCCOc1ccccc1 2230a_100000174943_100011218427 [0,0,0,0,0,2|1,0,1]=4 16535 B14R1.422 CC(O)CNCCOc1ccccc1 2230a_100000210904_100000184471 [0,0,0,0,0,2|1,0,1]=4 16536 B14R1.422 CC(O)CNCCOc1ccccc1 270004a_100000210904_100000758736 [0,0,0,0,0,2|1,0,1]=4 16537 B14R1.422 CC(O)CNCCOc1ccccc1 34a_100000174943_100011218427 [0,0,0,0,0,2|1,0,1]=4 16538 B14R1.422 CC(O)CNCCOc1ccccc1 34a_100000210904_100000184471 [0,0,0,0,0,2|1,0,1]=4 16539 B14R1.422 CC(O)CNCCSc1ccccc1 2230a_100000189519_100011218427 [0,0,0,0,0,2|1,0,1]=4 16540 B14R1.422 CC(O)CNCCSc1ccccc1 2230a_100000210904_100000246102 [0,0,0,0,0,2|1,0,1]=4 16541 B14R1.422 CC(O)CNCCSc1ccccc1 34a_100000210904_100000246102 [0,0,0,0,0,2|1,0,1]=4 16542 B14R1.422 CC(O)CNCOCc1ccccc1 2230a_100000210904_100000763385 [0,0,0,0,0,2|1,0,1]=4 16543 B14R1.422 CC(O)CNCOCc1ccccc1 34a_100000210904_100000763385 [0,0,0,0,0,2|1,0,1]=4 16544 B14R1.422 CC(O)CNCSCc1ccccc1 2230a_100000210904_200011217039 [0,0,0,0,0,2|1,0,1]=4 16545 B14R1.422 CC(O)CNCSCc1ccccc1 34a_100000210904_200011217039 [0,0,0,0,0,2|1,0,1]=4 16546 B14R1.422 CC(O)COCCCc1ccccc1 34a_100000210828_100011218427 [0,0,0,0,0,2|1,0,1]=4 16547 B14R1.422 CC(O)COCCCc1ccccc1 7a_100000210828_100011218427 [0,0,0,0,0,2|1,0,1]=4 16548 B14R1.422 CC(O)COCCNc1ccccc1 34a_100000211345_100011218427 [0,0,0,0,0,2|1,0,1]=4 16549 B14R1.422 CC(O)COCCOc1ccccc1 34a_100000210260_100011218427 [0,0,0,0,0,2|1,0,1]=4 16550 B14R1.422 CC(O)COCCOc1ccccc1 7a_100000210260_100011218427 [0,0,0,0,0,2|1,0,1]=4 16551 B14R1.422 CC(O)COCCSc1ccccc1 7a_100000230494_100011218427 [0,0,0,0,0,2|1,0,1]=4 16552 B14R1.422 CC(O)CSCCCc1ccccc1 62a_100000211621_100011218427 [0,0,0,0,0,2|1,0,1]=4 16553 B14R1.422 CC(O)CSCCCc1ccccc1 62a_100011218427_100000211621 [0,0,0,0,0,2|1,0,1]=4 16554 B14R1.422 CC(O)CSCCOc1ccccc1 62a_100000184471_100011218427 [0,0,0,0,0,2|1,0,1]=4 16555 B14R1.422 CC(O)CSCCOc1ccccc1 62a_100011218427_100000184471 [0,0,0,0,0,2|1,0,1]=4 16556 B14R1.422 CC(O)CSCCSc1ccccc1 62a_100000246102_100011218427 [0,0,0,0,0,2|1,0,1]=4 16557 B14R1.422 CC(O)CSCCSc1ccccc1 62a_100011218427_100000246102 [0,0,0,0,0,2|1,0,1]=4 16558 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100000763385_100011218427 [0,0,0,0,0,2|1,0,1]=4 16559 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100011218427_100000763385 [0,0,0,0,0,2|1,0,1]=4 16560 B14R1.422 CC(O)CSCSCc1ccccc1 62a_100011218427_200011217039 [0,0,0,0,0,2|1,0,1]=4 16561 B14R1.422 CC(O)CSCSCc1ccccc1 62a_200011217039_100011218427 [0,0,0,0,0,2|1,0,1]=4 16562 B14R1.422 CS(=O)CCCNCc1ccccc1 207a_200000753449_100015611070 [0,0,0,0,0,2|2,0,0]=4 16563 B14R1.422 CS(=O)CCCNCc1ccccc1 2230a_200000753449_100015291786 [0,0,0,0,0,2|2,0,0]=4 16564 B14R1.422 CS(=O)CCCNCc1ccccc1 270004a_200000753449_100015611070 [0,0,0,0,0,2|2,0,0]=4 16565 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 2230a_100000211184_100009817552 [0,0,0,0,0,2|1,0,1]=4 16566 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 34a_100000211184_100009817552 [0,0,0,0,0,2|1,0,1]=4 16567 B14R1.422 C[C@@H](O)CNCCOc1ccccc1 2230a_100000174943_100009817552 [0,0,0,0,0,2|1,0,1]=4 16568 B14R1.422 C[C@@H](O)CNCCOc1ccccc1 34a_100000174943_100009817552 [0,0,0,0,0,2|1,0,1]=4 16569 B14R1.422 C[C@@H](O)CNCCSc1ccccc1 2230a_100000189519_100009817552 [0,0,0,0,0,2|1,0,1]=4 16570 B14R1.422 C[C@@H](O)COCCCc1ccccc1 34a_100000210828_100009817552 [0,0,0,0,0,2|1,0,1]=4 16571 B14R1.422 C[C@@H](O)COCCCc1ccccc1 7a_100000210828_100009817552 [0,0,0,0,0,2|1,0,1]=4 16572 B14R1.422 C[C@@H](O)COCCNc1ccccc1 34a_100000211345_100009817552 [0,0,0,0,0,2|1,0,1]=4 16573 B14R1.422 C[C@@H](O)COCCOc1ccccc1 34a_100000210260_100009817552 [0,0,0,0,0,2|1,0,1]=4 16574 B14R1.422 C[C@@H](O)COCCOc1ccccc1 7a_100000210260_100009817552 [0,0,0,0,0,2|1,0,1]=4 16575 B14R1.422 C[C@@H](O)COCCSc1ccccc1 7a_100000230494_100009817552 [0,0,0,0,0,2|1,0,1]=4 16576 B14R1.422 C[C@@H](O)CSCCCc1ccccc1 62a_100000211621_100009817552 [0,0,0,0,0,2|1,0,1]=4 16577 B14R1.422 C[C@@H](O)CSCCCc1ccccc1 62a_100009817552_100000211621 [0,0,0,0,0,2|1,0,1]=4 16578 B14R1.422 C[C@@H](O)CSCCOc1ccccc1 62a_100000184471_100009817552 [0,0,0,0,0,2|1,0,1]=4 16579 B14R1.422 C[C@@H](O)CSCCOc1ccccc1 62a_100009817552_100000184471 [0,0,0,0,0,2|1,0,1]=4 16580 B14R1.422 C[C@@H](O)CSCCSc1ccccc1 62a_100000246102_100009817552 [0,0,0,0,0,2|1,0,1]=4 16581 B14R1.422 C[C@@H](O)CSCCSc1ccccc1 62a_100009817552_100000246102 [0,0,0,0,0,2|1,0,1]=4 16582 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100000763385_100009817552 [0,0,0,0,0,2|1,0,1]=4 16583 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100009817552_100000763385 [0,0,0,0,0,2|1,0,1]=4 16584 B14R1.422 C[C@@H](O)CSCSCc1ccccc1 62a_100009817552_200011217039 [0,0,0,0,0,2|1,0,1]=4 16585 B14R1.422 C[C@@H](O)CSCSCc1ccccc1 62a_200011217039_100009817552 [0,0,0,0,0,2|1,0,1]=4 16586 B14R1.422 FC(=CCCNCc1ccccc1)F 2230a_100015324214_200009816681 [0,0,0,0,0,2|2,0,0]=4 16587 B14R1.422 FC(=CCCNCc1ccccc1)F 34a_100015324214_200009816681 [0,0,0,0,0,2|2,0,0]=4 16588 B14R1.422 FC(=CCCOCc1ccccc1)F 34a_100000210790_200009816681 [0,0,0,0,0,2|2,0,0]=4 16589 B14R1.422 FC(=CCCOCc1ccccc1)F 7a_100000210790_200009816681 [0,0,0,0,0,2|2,0,0]=4 16590 B14R1.422 FC(=CCCSCc1ccccc1)F 62a_100000211182_200009816681 [0,0,0,0,0,2|2,0,0]=4 16591 B14R1.422 FC(=CCCSCc1ccccc1)F 62a_200009816681_100015291786 [0,0,0,0,0,2|2,0,0]=4 16592 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100000739312_100015291786 [0,0,0,0,0,2|1,0,0]=3 16593 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100015324214_100102525003 [0,0,0,0,0,2|1,0,0]=3 16594 B14R1.422 NC(=O)CCCNCc1ccccn1 34a_100000739312_100000721315 [0,0,0,0,0,2|2,0,0]=4 16595 B14R1.422 NC(=O)CCCNCc1cccnc1 34a_100000739312_100000733263 [0,0,0,0,0,2|2,0,0]=4 16596 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [0,0,0,0,0,2|1,0,0]=3 16597 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [0,0,0,0,0,2|1,0,0]=3 16598 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100000211182_100102525003 [0,0,0,0,0,2|1,0,0]=3 16599 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100102525003_100015291786 [0,0,0,0,0,2|1,0,0]=3 16600 B14R1.422 NC(=O)CCCSCc1ccccn1 62a_100000721315_100102525003 [0,0,0,0,0,2|2,0,0]=4 16601 B14R1.422 NC(=O)CCCSCc1ccccn1 62a_100102525003_100000721315 [0,0,0,0,0,2|2,0,0]=4 16602 B14R1.422 NC(=O)CCCSCc1cccnc1 62a_100000741622_100102525003 [0,0,0,0,0,2|2,0,0]=4 16603 B14R1.422 NC(=O)CCCSCc1cccnc1 62a_100102525003_100000741622 [0,0,0,0,0,2|2,0,0]=4 16604 B14R1.422 NC(=O)CCCSCc1ccncc1 62a_100015193705_100102525003 [0,0,0,0,0,2|2,0,0]=4 16605 B14R1.422 NC(=O)CCCSCc1ccncc1 62a_100102525003_100015193705 [0,0,0,0,0,2|2,0,0]=4 16606 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [0,0,0,0,0,2|1,0,0]=3 16607 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [0,0,0,0,0,2|1,0,0]=3 16608 B14R1.422 NC(=O)CCNCCc1cccnc1 2230a_100000736294_100000744528 [0,0,0,0,0,2|2,0,0]=4 16609 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000210268_100000731001 [0,0,0,0,0,2|1,0,0]=3 16610 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000757172_100000765856 [0,0,0,0,0,2|1,0,0]=3 16611 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000210268_100000744528 [0,0,0,0,0,2|1,0,0]=3 16612 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000757172_100000765856 [0,0,0,0,0,2|1,0,0]=3 16613 B14R1.422 NC(=O)CCOCCc1ccccn1 34a_100000210271_100000731001 [0,0,0,0,0,2|2,0,0]=4 16614 B14R1.422 NC(=O)CCOCCc1ccccn1 7a_100000757172_100015183660 [0,0,0,0,0,2|2,0,0]=4 16615 B14R1.422 NC(=O)CCOCCc1cccnc1 34a_100011217484_100000731001 [0,0,0,0,0,2|2,0,0]=4 16616 B14R1.422 NC(=O)CCOCCc1cccnc1 7a_100000757172_200011713674 [0,0,0,0,0,2|2,0,0]=4 16617 B14R1.422 NC(=O)CCOCCc1ccncc1 34a_100011216225_100000731001 [0,0,0,0,0,2|2,0,0]=4 16618 B14R1.422 NC(=O)CCOCCc1ccncc1 7a_100000757172_100000723409 [0,0,0,0,0,2|2,0,0]=4 16619 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000744528_100011218657 [0,0,0,0,0,2|1,0,0]=3 16620 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000765856_100000744528 [0,0,0,0,0,2|1,0,0]=3 16621 B14R1.422 NC(=O)CCSCCc1ccccn1 62a_100000744528_100015183660 [0,0,0,0,0,2|2,0,0]=4 16622 B14R1.422 NC(=O)CCSCCc1ccccn1 62a_100015183660_100000744528 [0,0,0,0,0,2|2,0,0]=4 16623 B14R1.422 NC(=O)CCSCCc1cccnc1 62a_100000744528_200011713674 [0,0,0,0,0,2|2,0,0]=4 16624 B14R1.422 NC(=O)CCSCCc1cccnc1 62a_200011713674_100000744528 [0,0,0,0,0,2|2,0,0]=4 16625 B14R1.422 NC(=O)CCSCCc1ccncc1 62a_100000723409_100000744528 [0,0,0,0,0,2|2,0,0]=4 16626 B14R1.422 NC(=O)CCSCCc1ccncc1 62a_100000744528_100000723409 [0,0,0,0,0,2|2,0,0]=4 16627 B14R1.422 NC(=O)CCSCSc1ccccc1 62a_100000744528_100011218342 [0,0,0,0,0,2|1,0,0]=3 16628 B14R1.422 NC(=O)CCSCSc1ccccc1 62a_100011218342_100000744528 [0,0,0,0,0,2|1,0,0]=3 16629 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100000711301_100016265936 [0,0,0,0,0,2|1,0,1]=4 16630 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747473 [0,0,0,0,0,2|1,0,1]=4 16631 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000187820 [0,0,0,0,0,2|1,0,1]=4 16632 B14R1.422 NC(=O)CNCC#Cc1ccccc1 2230a_100000711301_100011352542 [0,0,0,0,0,2|1,0,1]=4 16633 B14R1.422 NC(=O)CNCC#Cc1ccccc1 34a_100000735379_100000187820 [0,0,0,0,0,2|1,0,1]=4 16634 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [0,0,0,0,0,2|1,0,0]=3 16635 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [0,0,0,0,0,2|1,0,0]=3 16636 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [0,0,0,0,0,2|1,0,0]=3 16637 B14R1.422 NC(=O)CNCCCc1cccnc1 2230a_100011532358_100000747473 [0,0,0,0,0,2|2,0,0]=4 16638 B14R1.422 NC(=O)CNCCCc1cccnc1 34a_100011532358_100000187820 [0,0,0,0,0,2|2,0,0]=4 16639 B14R1.422 NC(=O)CNCCCc1ccncc1 2230a_100011275580_100000747473 [0,0,0,0,0,2|2,0,0]=4 16640 B14R1.422 NC(=O)CNCCOc1ccccc1 2230a_100000174943_100000747473 [0,0,0,0,0,2|1,0,0]=3 16641 B14R1.422 NC(=O)CNCCOc1ccccc1 2230a_100000711301_100000184471 [0,0,0,0,0,2|1,0,0]=3 16642 B14R1.422 NC(=O)CNCCOc1ccccc1 34a_100000174943_100000187820 [0,0,0,0,0,2|1,0,0]=3 16643 B14R1.422 NC(=O)CNCCOc1ccccn1 2230a_106741647558_100000747473 [0,0,0,0,0,2|2,0,0]=4 16644 B14R1.422 NC(=O)CNCCOc1cccnc1 2230a_100000754688_100000747473 [0,0,0,0,0,2|2,0,0]=4 16645 B14R1.422 NC(=O)CNCCSc1ccccc1 2230a_100000189519_100000747473 [0,0,0,0,0,2|1,0,0]=3 16646 B14R1.422 NC(=O)CNCCSc1ccccc1 2230a_100000711301_100000246102 [0,0,0,0,0,2|1,0,0]=3 16647 B14R1.422 NC(=O)CNCOCc1ccccc1 2230a_100000711301_100000763385 [0,0,0,0,0,2|1,0,0]=3 16648 B14R1.422 NC(=O)CNCSCc1ccccc1 2230a_100000711301_200011217039 [0,0,0,0,0,2|1,0,0]=3 16649 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [0,0,0,0,0,2|1,0,1]=4 16650 B14R1.422 NC(=O)COCC#Cc1ccccc1 34a_100011217464_100000187820 [0,0,0,0,0,2|1,0,1]=4 16651 B14R1.422 NC(=O)COCC#Cc1ccccc1 7a_100011217464_100000187820 [0,0,0,0,0,2|1,0,1]=4 16652 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [0,0,0,0,0,2|1,0,0]=3 16653 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [0,0,0,0,0,2|1,0,0]=3 16654 B14R1.422 NC(=O)COCCCc1ccccn1 34a_100011215068_100000187820 [0,0,0,0,0,2|2,0,0]=4 16655 B14R1.422 NC(=O)COCCCc1cccnc1 34a_100000211284_100000187820 [0,0,0,0,0,2|2,0,0]=4 16656 B14R1.422 NC(=O)COCCCc1ccncc1 34a_100000210659_100000187820 [0,0,0,0,0,2|2,0,0]=4 16657 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000106764_100000076697 [0,0,0,0,0,2|1,0,0]=3 16658 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000211345_100000187820 [0,0,0,0,0,2|1,0,0]=3 16659 B14R1.422 NC(=O)COCCNc1ccncc1 34a_200011243140_100000187820 [0,0,0,0,0,2|2,0,0]=4 16660 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210260_100000187820 [0,0,0,0,0,2|1,0,0]=3 16661 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210340_100000076697 [0,0,0,0,0,2|1,0,0]=3 16662 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210260_100000187820 [0,0,0,0,0,2|1,0,0]=3 16663 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210340_100000076697 [0,0,0,0,0,2|1,0,0]=3 16664 B14R1.422 NC(=O)COCCOc1cccnc1 34a_100000210849_100000076697 [0,0,0,0,0,2|2,0,0]=4 16665 B14R1.422 NC(=O)COCCOc1cccnc1 7a_100000210849_100000076697 [0,0,0,0,0,2|2,0,0]=4 16666 B14R1.422 NC(=O)COCCOc1ccncc1 34a_100000212176_100000076697 [0,0,0,0,0,2|2,0,0]=4 16667 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000076697_100000041952 [0,0,0,0,0,2|1,0,0]=3 16668 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000719477_100000076697 [0,0,0,0,0,2|1,0,0]=3 16669 B14R1.422 NC(=O)COCCSc1ccccc1 7a_100000230494_100000187820 [0,0,0,0,0,2|1,0,0]=3 16670 B14R1.422 NC(=O)COCCSc1ccccn1 62a_100000076697_100011216584 [0,0,0,0,0,2|2,0,0]=4 16671 B14R1.422 NC(=O)COCCSc1ccccn1 62a_100011216584_100000076697 [0,0,0,0,0,2|2,0,0]=4 16672 B14R1.422 NC(=O)COCCSc1ccccn1 7a_100000156319_100000187820 [0,0,0,0,0,2|2,0,0]=4 16673 B14R1.422 NC(=O)COCCSc1cccnc1 62a_100000076697_100000210063 [0,0,0,0,0,2|2,0,0]=4 16674 B14R1.422 NC(=O)COCCSc1cccnc1 62a_100000210063_100000076697 [0,0,0,0,0,2|2,0,0]=4 16675 B14R1.422 NC(=O)COCCSc1ccncc1 62a_100000076697_100000728582 [0,0,0,0,0,2|2,0,0]=4 16676 B14R1.422 NC(=O)COCCSc1ccncc1 62a_100000728582_100000076697 [0,0,0,0,0,2|2,0,0]=4 16677 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100000747473_100016265936 [0,0,0,0,0,2|1,0,1]=4 16678 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747473 [0,0,0,0,0,2|1,0,1]=4 16679 B14R1.422 NC(=O)CSCC#Cc1ccccc1 62a_100000747473_100011352542 [0,0,0,0,0,2|1,0,1]=4 16680 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000211621_100000747473 [0,0,0,0,0,2|1,0,0]=3 16681 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000747473_100000211621 [0,0,0,0,0,2|1,0,0]=3 16682 B14R1.422 NC(=O)CSCCOc1ccccc1 62a_100000184471_100000747473 [0,0,0,0,0,2|1,0,0]=3 16683 B14R1.422 NC(=O)CSCCOc1ccccc1 62a_100000747473_100000184471 [0,0,0,0,0,2|1,0,0]=3 16684 B14R1.422 NC(=O)CSCCSc1ccccc1 62a_100000246102_100000747473 [0,0,0,0,0,2|1,0,0]=3 16685 B14R1.422 NC(=O)CSCCSc1ccccc1 62a_100000747473_100000246102 [0,0,0,0,0,2|1,0,0]=3 16686 B14R1.422 NC(=O)CSCOCc1ccccc1 62a_100000747473_100000763385 [0,0,0,0,0,2|1,0,0]=3 16687 B14R1.422 NC(=O)CSCOCc1ccccc1 62a_100000763385_100000747473 [0,0,0,0,0,2|1,0,0]=3 16688 B14R1.422 NC(=O)CSCSCc1ccccc1 62a_100000747473_200011217039 [0,0,0,0,0,2|1,0,0]=3 16689 B14R1.422 NC(=O)CSCSCc1ccccc1 62a_200011217039_100000747473 [0,0,0,0,0,2|1,0,0]=3 16690 B14R1.422 NC(=O)NCCNCc1ccccc1 207a_100020590234_100015611070 [0,0,0,0,0,2|1,0,0]=3 16691 B14R1.422 NC(=O)NCCNCc1ccccc1 2230a_100015324214_200000034859 [0,0,0,0,0,2|1,0,0]=3 16692 B14R1.422 NC(=O)NCCNCc1ccccc1 34a_100020590234_100015291786 [0,0,0,0,0,2|1,0,0]=3 16693 B14R1.422 NC(=O)NCCNCc1ccccn1 207a_100020590234_100000209966 [0,0,0,0,0,2|2,0,0]=4 16694 B14R1.422 NC(=O)NCCNCc1ccccn1 34a_100020590234_100000721315 [0,0,0,0,0,2|2,0,0]=4 16695 B14R1.422 NC(=O)NCCNCc1cccnc1 207a_100020590234_100000209961 [0,0,0,0,0,2|2,0,0]=4 16696 B14R1.422 NC(=O)NCCNCc1cccnc1 34a_100020590234_100000733263 [0,0,0,0,0,2|2,0,0]=4 16697 B14R1.422 NC(=O)NCCNCc1ccncc1 207a_100020590234_100000186114 [0,0,0,0,0,2|2,0,0]=4 16698 B14R1.422 NC(=O)NCCOCc1ccccc1 34a_100000181757_100015291786 [0,0,0,0,0,2|1,0,0]=3 16699 B14R1.422 NC(=O)NCCOCc1ccccc1 7a_100000210790_200000034859 [0,0,0,0,0,2|1,0,0]=3 16700 B14R1.422 NC(=O)NCCOCc1ccccn1 34a_100000181757_100000721315 [0,0,0,0,0,2|2,0,0]=4 16701 B14R1.422 NC(=O)NCCOCc1cccnc1 34a_100000181757_100000733263 [0,0,0,0,0,2|2,0,0]=4 16702 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_100000211182_200000034859 [0,0,0,0,0,2|1,0,0]=3 16703 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_200000034859_100015291786 [0,0,0,0,0,2|1,0,0]=3 16704 B14R1.422 NC(=O)NCCSCc1ccccn1 62a_100000721315_200000034859 [0,0,0,0,0,2|2,0,0]=4 16705 B14R1.422 NC(=O)NCCSCc1ccccn1 62a_200000034859_100000721315 [0,0,0,0,0,2|2,0,0]=4 16706 B14R1.422 NC(=O)NCCSCc1cccnc1 62a_100000741622_200000034859 [0,0,0,0,0,2|2,0,0]=4 16707 B14R1.422 NC(=O)NCCSCc1cccnc1 62a_200000034859_100000741622 [0,0,0,0,0,2|2,0,0]=4 16708 B14R1.422 NC(=O)NCCSCc1ccncc1 62a_100015193705_200000034859 [0,0,0,0,0,2|2,0,0]=4 16709 B14R1.422 NC(=O)NCCSCc1ccncc1 62a_200000034859_100015193705 [0,0,0,0,0,2|2,0,0]=4 16710 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [0,0,0,0,0,2|1,0,0]=3 16711 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [0,0,0,0,0,2|1,0,0]=3 16712 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [0,0,0,0,0,2|1,0,0]=3 16713 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [0,0,0,0,0,2|1,0,0]=3 16714 B14R1.422 NC(=O)OCCOCc1ccccn1 7a_100000766696_100000721315 [0,0,0,0,0,2|2,0,0]=4 16715 B14R1.422 NC(=O)OCCOCc1cccnc1 7a_100000766696_100000741622 [0,0,0,0,0,2|2,0,0]=4 16716 B14R1.422 NC(=O)OCCOCc1ccncc1 7a_100000766696_100015193705 [0,0,0,0,0,2|2,0,0]=4 16717 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [0,0,0,0,0,2|1,0,0]=3 16718 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [0,0,0,0,0,2|1,0,0]=3 16719 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_100000721315_200011214921 [0,0,0,0,0,2|2,0,0]=4 16720 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_200011214921_100000721315 [0,0,0,0,0,2|2,0,0]=4 16721 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_100000741622_200011214921 [0,0,0,0,0,2|2,0,0]=4 16722 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_200011214921_100000741622 [0,0,0,0,0,2|2,0,0]=4 16723 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_100015193705_200011214921 [0,0,0,0,0,2|2,0,0]=4 16724 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_200011214921_100015193705 [0,0,0,0,0,2|2,0,0]=4 16725 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,0,0,0,2|0,0,1]=3 16726 B14R1.422 O=C(O)CNCC#Cc1ccccc1 269956a_100016091260_100011352542 [0,0,0,0,0,2|0,0,1]=3 16727 B14R1.422 O=C(O)CNCCCc1ccccc1 269956a_100016091260_100000211621 [0,0,0,0,0,2|0,0,0]=2 16728 B14R1.422 O=C(O)CNCCOc1ccccc1 269956a_100016091260_100000184471 [0,0,0,0,0,2|0,0,0]=2 16729 B14R1.422 O=C(O)CNCCSc1ccccc1 269956a_100016091260_100000246102 [0,0,0,0,0,2|0,0,0]=2 16730 B14R1.422 O=C(O)CNCOCc1ccccc1 269956a_100016091260_100000763385 [0,0,0,0,0,2|0,0,0]=2 16731 B14R1.422 O=C(O)CNCSCc1ccccc1 269956a_100016091260_200011217039 [0,0,0,0,0,2|0,0,0]=2 16732 B14R1.422 O=C(O)CONCCc1ccccc1 269956a_100000106656_100000765856 [0,0,0,0,0,2|0,0,0]=2 16733 B14R1.422 O=C(O)CONCCc1ccccn1 269956a_100000106656_100015183660 [0,0,0,0,0,2|1,0,0]=3 16734 B14R1.422 O=C(O)CONCCc1cccnc1 269956a_100000106656_200011713674 [0,0,0,0,0,2|1,0,0]=3 16735 B14R1.422 O=C(O)CONCCc1ccncc1 269956a_100000106656_100000723409 [0,0,0,0,0,2|1,0,0]=3 16736 B14R1.422 O=C(O)CONCSc1ccccc1 269956a_100000106656_100011218342 [0,0,0,0,0,2|1,0,0]=3 16737 B14R1.422 O=C([O-])CNC/C=C/c1ccccc1 34a_100020603302_100020667443 [0,0,0,0,0,2|0,0,2]=4 16738 B14R1.422 O=C([O-])CNCC#Cc1ccccc1 34a_100000735379_100020667443 [0,0,0,0,0,2|0,0,2]=4 16739 B14R1.422 O=C([O-])CNCCCc1ccccc1 34a_100000211184_100020667443 [0,0,0,0,0,2|0,0,1]=3 16740 B14R1.422 O=C([O-])CNCCCc1cccnc1 34a_100011532358_100020667443 [0,0,0,0,0,2|1,0,1]=4 16741 B14R1.422 O=C([O-])CNCCOc1ccccc1 34a_100000174943_100020667443 [0,0,0,0,0,2|0,0,1]=3 16742 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [0,0,0,0,0,2|0,0,2]=4 16743 B14R1.422 O=C([O-])COCC#Cc1ccccc1 34a_100011217464_100020667443 [0,0,0,0,0,2|0,0,2]=4 16744 B14R1.422 O=C([O-])COCCCc1ccccc1 34a_100000210828_100020667443 [0,0,0,0,0,2|0,0,1]=3 16745 B14R1.422 O=C([O-])COCCCc1ccccn1 34a_100011215068_100020667443 [0,0,0,0,0,2|1,0,1]=4 16746 B14R1.422 O=C([O-])COCCCc1cccnc1 34a_100000211284_100020667443 [0,0,0,0,0,2|1,0,1]=4 16747 B14R1.422 O=C([O-])COCCCc1ccncc1 34a_100000210659_100020667443 [0,0,0,0,0,2|1,0,1]=4 16748 B14R1.422 O=C([O-])COCCNc1ccccc1 34a_100000211345_100020667443 [0,0,0,0,0,2|0,0,1]=3 16749 B14R1.422 O=C([O-])COCCNc1ccncc1 34a_200011243140_100020667443 [0,0,0,0,0,2|1,0,1]=4 16750 B14R1.422 O=C([O-])COCCOc1ccccc1 34a_100000210260_100020667443 [0,0,0,0,0,2|0,0,1]=3 16751 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100016265936_100020667443 [0,0,0,0,0,2|0,0,2]=4 16752 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100020667443_100016265936 [0,0,0,0,0,2|0,0,2]=4 16753 B14R1.422 O=C([O-])CSCC#Cc1ccccc1 62a_100020667443_100011352542 [0,0,0,0,0,2|0,0,2]=4 16754 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100000211621_100020667443 [0,0,0,0,0,2|0,0,1]=3 16755 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100020667443_100000211621 [0,0,0,0,0,2|0,0,1]=3 16756 B14R1.422 O=C([O-])CSCCOc1ccccc1 62a_100000184471_100020667443 [0,0,0,0,0,2|0,0,1]=3 16757 B14R1.422 O=C([O-])CSCCOc1ccccc1 62a_100020667443_100000184471 [0,0,0,0,0,2|0,0,1]=3 16758 B14R1.422 O=C([O-])CSCCSc1ccccc1 62a_100000246102_100020667443 [0,0,0,0,0,2|0,0,1]=3 16759 B14R1.422 O=C([O-])CSCCSc1ccccc1 62a_100020667443_100000246102 [0,0,0,0,0,2|0,0,1]=3 16760 B14R1.422 O=C([O-])CSCOCc1ccccc1 62a_100000763385_100020667443 [0,0,0,0,0,2|0,0,1]=3 16761 B14R1.422 O=C([O-])CSCOCc1ccccc1 62a_100020667443_100000763385 [0,0,0,0,0,2|0,0,1]=3 16762 B14R1.422 O=C([O-])CSCSCc1ccccc1 62a_100020667443_200011217039 [0,0,0,0,0,2|0,0,1]=3 16763 B14R1.422 O=C([O-])CSCSCc1ccccc1 62a_200011217039_100020667443 [0,0,0,0,0,2|0,0,1]=3 16764 B14R1.422 O=[N+]([O-])CCCOCc1ccccc1 34a_200000037920_100015291786 [0,0,0,0,0,2|1,0,1]=4 16765 B14R1.422 O=[N+]([O-])CNCCCc1ccccc1 34a_100000211184_100000761209 [0,0,0,0,0,2|1,0,1]=4 16766 B14R1.422 O=[N+]([O-])CNCCOc1ccccc1 34a_100000174943_100000761209 [0,0,0,0,0,2|1,0,1]=4 16767 B14R1.422 O=[N+]([O-])COCCCc1ccccc1 34a_100000210828_100000761209 [0,0,0,0,0,2|1,0,1]=4 16768 B14R1.422 O=[N+]([O-])COCCNc1ccccc1 34a_100000211345_100000761209 [0,0,0,0,0,2|1,0,1]=4 16769 B14R1.422 O=[N+]([O-])COCCOc1ccccc1 34a_100000210260_100000761209 [0,0,0,0,0,2|1,0,1]=4 16770 B14R1.422 O=[N+]([O-])CSCCCc1ccccc1 62a_100000211621_100000761209 [0,0,0,0,0,2|1,0,1]=4 16771 B14R1.422 O=[N+]([O-])CSCCOc1ccccc1 62a_100000184471_100000761209 [0,0,0,0,0,2|1,0,1]=4 16772 B14R1.422 O=[N+]([O-])CSCCSc1ccccc1 62a_100000246102_100000761209 [0,0,0,0,0,2|1,0,1]=4 16773 B14R1.422 O=[N+]([O-])CSCOCc1ccccc1 62a_100000763385_100000761209 [0,0,0,0,0,2|1,0,1]=4 16774 B14R1.422 O=[N+]([O-])CSCSCc1ccccc1 62a_200011217039_100000761209 [0,0,0,0,0,2|1,0,1]=4 16775 B14R1.422 OB(O)CCCCNc1ccccc1 34a_100000106764_200009817182 [0,0,0,0,0,2|1,0,1]=4 16776 B14R1.422 OB(O)CCCCOc1ccccc1 34a_100000210340_200009817182 [0,0,0,0,0,2|1,0,1]=4 16777 B14R1.422 OB(O)CCCCOc1ccccc1 7a_100000210340_200009817182 [0,0,0,0,0,2|1,0,1]=4 16778 B14R1.422 OB(O)CCCCSc1ccccc1 62a_100000719477_200009817182 [0,0,0,0,0,2|1,0,1]=4 16779 B14R1.422 OB(O)CCCCSc1ccccc1 62a_200009817182_100000041952 [0,0,0,0,0,2|1,0,1]=4 16780 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [0,0,0,0,0,2|1,0,0]=3 16781 B14R1.422 [13CH3]C(=O)CCCCOc1ccccc1 1458a_200011216290_200025704644 [0,0,0,0,0,2|1,0,0]=3 16782 B14R1.422 [13CH3]C(=O)CCCOCc1ccccc1 1458a_100000748059_200025704644 [0,0,0,0,0,2|1,0,0]=3 16783 B14R1.422 [13CH3]C(=O)CSCCOc1ccccc1 1458a_200000150159_200025704644 [0,0,0,0,0,2|1,0,0]=3