0 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 C#CC(=O)Cc1cccnn1 1458a_100000211873_100016990269 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 C#CC(=O)Cc1cncnc1 1458a_100000211873_100015196519 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 C#CC(=O)Cc1ncccn1 1458a_100000211873_100000703007 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 C=CC(=O)Cc1cncnc1 1458a_100000185746_100015196519 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 C=CC(=O)Cc1ncccn1 1458a_100000185746_100000703007 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,0|1,0,1]=2 19 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,0|1,0,1]=2 20 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,0|1,1,1]=3 21 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,0|1,1,1]=3 22 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,0,0|2,0,0]=2 79 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,0|2,0,0]=2 83 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,0,0,0,0,0|3,0,1]=4 95 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,0|2,0,1]=3 96 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,0|2,0,1]=3 97 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,0,0|3,0,1]=4 98 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,0|3,0,1]=4 99 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,0|3,0,1]=4 100 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.40 COC(=O)CN1CC=CCC1 2230a_100000698166_100000747449 [0,0,0,0,0,0|1,0,3]=4 102 B11R1.40 COC(=O)CN1CC=CCC1 269982a_100000698166_100000747449 [0,0,0,0,0,0|1,0,3]=4 103 B11R1.40 COC(=O)CN1CC=CCC1 34a_100000698166_100000747449 [0,0,0,0,0,0|1,0,3]=4 104 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,0|1,0,1]=2 105 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,0|1,0,1]=2 106 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,0|1,0,1]=2 107 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,0|2,0,1]=3 108 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,0|2,0,1]=3 109 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,0|1,1,1]=3 116 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,0|1,1,1]=3 117 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,1]=3 133 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|1,0,1]=3 168 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|1,0,1]=3 169 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|1,0,1]=3 170 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|1,0,1]=3 171 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|1,0,1]=3 172 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|0,0,1]=2 181 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|0,0,1]=2 182 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|0,0,1]=2 183 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|1,0,1]=3 184 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|1,0,1]=3 185 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|1,0,1]=3 186 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|2,0,1]=4 187 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|1,0,1]=3 189 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|1,0,1]=3 190 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|0,1,1]=3 197 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|0,1,1]=3 198 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|1,1,1]=4 199 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|1,1,1]=4 200 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|1,1,1]=4 201 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|1,1,1]=4 202 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|1,1,1]=4 203 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|1,1,1]=4 204 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|1,1,1]=4 205 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|1,1,1]=4 206 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|1,1,1]=4 207 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|1,1,1]=4 208 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|1,1,1]=4 209 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|1,1,1]=4 210 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|1,0,1]=3 216 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|1,0,1]=3 217 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|0,0,1]=2 219 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|0,0,1]=2 220 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|1,0,1]=3 221 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|1,0,1]=3 222 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|1,0,1]=3 223 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|0,1,1]=3 226 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|0,1,1]=3 227 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|1,1,1]=4 228 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|1,1,1]=4 229 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|1,1,1]=4 230 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|1,1,1]=4 231 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|1,1,1]=4 232 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|1,1,1]=4 233 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|1,1,1]=4 234 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|1,1,1]=4 235 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|1,0,1]=3 236 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|0,0,0]=1 241 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|1,0,0]=2 242 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|1,0,0]=2 243 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|1,0,0]=2 244 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|1,0,0]=2 245 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,0,0|2,0,0]=3 246 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|1,0,0]=2 247 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,0,0|2,0,0]=3 251 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|1,0,0]=2 252 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|1,0,0]=2 253 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|1,0,0]=2 254 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|1,0,0]=2 255 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|2,0,1]=4 256 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|2,0,1]=4 257 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|2,0,1]=4 258 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|2,0,1]=4 260 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|1,0,0]=2 288 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|1,0,0]=2 289 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|1,0,0]=2 290 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,0,0|2,0,0]=3 291 B12R1.32 C#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000184674 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,1,0,0,0,0|1,0,1]=3 293 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100000737805_100000184674 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100011220946_100000733263 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.32 C#CCC(=O)Cc1ccncc1 1458a_100011220946_100000705612 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,0|1,0,1]=3 301 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,0|1,0,1]=3 304 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,0,0,0,0|2,0,1]=4 311 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,0,0,0,0|2,0,1]=4 312 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,1,0,0,0,0|2,0,0]=3 316 B12R1.32 CC#CC(=O)Cc1cccnn1 1458a_100000763181_100016990269 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.32 CC#CC(=O)Cc1ccncc1 1458a_100000763181_100000705612 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.32 CC#CC(=O)Cc1cnccn1 1458a_100000763181_100016995436 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.32 CC#CC(=O)Cc1cncnc1 1458a_100000763181_100015196519 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.32 CC#CC(=O)Cc1ncccn1 1458a_100000763181_100000703007 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,0|1,0,1]=3 323 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,0|1,0,1]=3 324 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,0|1,0,1]=3 327 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,0|1,0,1]=3 328 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,1,0,0,0,0|1,1,1]=4 329 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,1,0,0,0,0|1,1,1]=4 330 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,0|1,0,0]=2 331 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.32 CC=CC(=O)Cc1cccnn1 1458a_100000210699_100016990269 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.32 CC=CC(=O)Cc1cnccn1 1458a_100000210699_100016995436 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.32 CC=CC(=O)Cc1cncnc1 1458a_100000210699_100015196519 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.32 CC=CC(=O)Cc1ncccn1 1458a_100000210699_100000703007 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000211992_100015196519 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000721575_100000210303 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,0,0,0,0|2,0,0]=3 371 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.32 CCNC(=O)Cc1cncnc1 11a_100015525214_100000721575 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.32 CCNC(=O)Cc1cncnc1 240690a_100015525214_100000721575 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.32 CCNC(=O)Cc1cncnc1 527a_100015525214_100000721575 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,0|1,0,1]=3 383 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,0|1,0,1]=3 384 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,0|1,0,1]=3 385 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,0|1,1,1]=4 386 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,0|1,1,1]=4 387 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,0|1,0,0]=2 397 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,0|1,0,0]=2 398 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,0,0,0,0|2,0,0]=3 400 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,0,0,0,0|2,0,0]=3 401 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,0|1,0,2]=4 409 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,0|1,0,2]=4 410 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,0|1,0,2]=4 411 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,0|1,0,2]=4 412 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.32 CNNC(=O)Cc1cnccn1 22a_100016993582_100000726051 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.32 CNNC(=O)Cc1cncnc1 22a_100016993582_100000721575 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,0|1,0,1]=3 419 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,0|1,0,1]=3 420 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,0|0,0,0]=1 421 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,0|1,0,0]=2 422 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,1,0,0,0,0|2,0,0]=3 424 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,1,0,0,0,0|1,0,0]=2 425 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.32 COCC(=O)Cc1cncnc1 1458a_100000210968_100015196519 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,0,0,0,0|1,0,0]=2 430 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,0,0,0,0|1,0,0]=2 431 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,0,0,0,0|1,0,0]=2 432 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,0,0,0,0|1,0,0]=2 433 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,0,0,0,0|1,0,0]=2 434 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,0,0,0,0|1,0,0]=2 435 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,0|1,0,1]=3 436 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,0|1,0,1]=3 437 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,0|2,0,1]=4 438 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,0|2,0,1]=4 440 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,0|2,0,1]=4 441 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,0|1,0,1]=3 445 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,0|0,0,2]=3 454 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,0|0,1,0]=2 455 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,0|0,1,0]=2 456 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,0|0,1,0]=2 457 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,1,0,0,0,0|1,1,0]=3 458 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,1,0,0,0,0|1,1,0]=3 459 B12R1.32 CSCC(=O)Cc1cccnn1 1458a_100000184570_100016990269 [0,1,0,0,0,0|2,1,0]=4 460 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,1,0,0,0,0|1,1,0]=3 461 B12R1.32 CSCC(=O)Cc1cnccn1 1458a_100000184570_100016995436 [0,1,0,0,0,0|2,1,0]=4 462 B12R1.32 CSCC(=O)Cc1cncnc1 1458a_100000184570_100015196519 [0,1,0,0,0,0|2,1,0]=4 463 B12R1.32 CSCC(=O)Cc1ncccn1 1458a_100000184570_100000703007 [0,1,0,0,0,0|2,1,0]=4 464 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,0,0,0,0|1,1,0]=3 465 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,0,0,0,0|1,1,0]=3 466 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,0,0,0,0|1,1,0]=3 467 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,0,0,0,0|1,1,0]=3 468 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,0,0,0,0|1,1,0]=3 469 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,0,0,0,0|1,1,0]=3 470 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,1,0,0,0,0|2,1,0]=4 471 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,1,0,0,0,0|2,1,0]=4 472 B12R1.32 CSCC(=O)Nc1ccncc1 62a_200000210301_100000754145 [0,1,0,0,0,0|2,1,0]=4 473 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,1,0,0,0,0|1,1,0]=3 474 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,1,0,0,0,0|1,1,0]=3 475 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,1,0,0,0,0|2,1,0]=4 476 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,1,0,0,0,0|2,1,0]=4 477 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,0|0,1,2]=4 478 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,0|0,1,2]=4 479 B12R1.32 N#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100011214920 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,0|1,0,1]=3 481 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100000737805_100011214920 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100051588842_100000733263 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.32 N#CCC(=O)Cc1ccncc1 1458a_100051588842_100000705612 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,0,0,0,0|1,0,1]=3 489 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.32 O=C(C=CBr)Cc1ccncc1 1458a_100016273825_100000705612 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,0,0,0,0|1,0,1]=3 494 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.32 O=C(C=CCl)Cc1ccncc1 1458a_200016279998_100000705612 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,0,0,0,0|1,0,1]=3 500 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.32 O=C(C=CI)Cc1ccncc1 1458a_100016256311_100000705612 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.32 O=C(CCF)Cc1cncnc1 1458a_100000721575_100011217306 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,0|1,0,0]=2 510 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100000721575_100000211926 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100011216618_100015196519 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.32 O=C(CCO)Cc1ncccn1 1458a_100011216618_100000703007 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,0|2,0,0]=3 521 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,0|1,0,2]=4 524 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,0,0,0,0|1,0,0]=2 525 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,0|1,0,1]=3 526 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,0|0,1,0]=2 527 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,0|0,1,0]=2 528 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,0,0,0,0|1,1,0]=3 529 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,0,0,0,0|1,1,0]=3 530 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,1,0,0,0,0|2,1,0]=4 531 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,1,0,0,0,0|2,1,0]=4 532 B12R1.32 [13CH3]SCC(=O)Nc1ccncc1 62a_200025704644_100000754145 [0,1,0,0,0,0|2,1,0]=4 533 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,1,0,0,0,0|1,1,0]=3 534 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,1,0,0,0,0|1,1,0]=3 535 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,0|0,1,2]=4 536 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,0|0,1,2]=4 537 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,0|1,0,1]=3 538 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,0|1,0,1]=3 539 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,0|2,0,1]=4 540 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|1,0,1]=3 541 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,0|1,0,1]=3 542 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|1,0,0]=2 547 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.34 CCC(=O)C(C)c1cnccn1 1458a_100000210414_200000703233 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|1,0,0]=2 550 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|1,0,0]=2 554 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|1,0,0]=2 555 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,0|2,0,0]=3 561 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,0|2,0,0]=3 562 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.34 CNC(=O)C(C)c1ncccn1 11a_106832991635_100011934538 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.34 CNC(=O)C(C)c1ncccn1 240690a_100102657272_100011934538 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.34 CNC(=O)C(C)c1ncccn1 527a_100102657272_100011934538 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,0|1,0,0]=2 568 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,0|1,0,0]=2 569 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,0|1,0,0]=2 570 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,0|1,0,0]=2 571 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,0|1,0,0]=2 573 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,0|1,0,0]=2 574 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,0|1,0,0]=2 575 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,0|1,0,0]=2 576 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|1,0,0]=2 577 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|1,0,1]=3 579 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|1,0,1]=3 581 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,0|1,0,0]=2 587 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.43 C=C(C)C(=O)Cc1cccnn1 1458a_100000185857_100016990269 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.43 C=C(C)C(=O)Cc1cnccn1 1458a_100000185857_100016995436 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.43 C=C(C)C(=O)Cc1cncnc1 1458a_100000185857_100015196519 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.43 C=C(C)C(=O)Cc1ncccn1 1458a_100000185857_100000703007 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,0|2,0,0]=3 597 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|1,0,2]=4 614 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [0,1,0,0,0,0|2,0,0]=3 615 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,0|1,0,0]=2 616 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,1,0,0,0,0|2,0,0]=3 617 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,1,0,0,0,0|2,0,0]=3 618 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,0|2,0,0]=3 619 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.43 CC(C)C(=O)Cc1cccnn1 1458a_100000210198_100016990269 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.43 CC(C)C(=O)Cc1cnccn1 1458a_100000210198_100016995436 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.43 CC(C)C(=O)Cc1cncnc1 1458a_100000210198_100015196519 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.43 CC(C)C(=O)Cc1cncnc1 1458a_100000721575_100000210206 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.43 CC(C)C(=O)Cc1ncccn1 1458a_100000210198_100000703007 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,0|2,0,1]=4 640 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,0|1,0,0]=2 641 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.43 CC(F)C(=O)Cc1cccnc1 1458a_100000062450_100000733263 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.43 CC(F)C(=O)Cc1cccnn1 1458a_100000062450_100016990269 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.43 CC(F)C(=O)Cc1ccncc1 1458a_100000062450_100000705612 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.43 CC(F)C(=O)Cc1cnccn1 1458a_100000062450_100016995436 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.43 CC(F)C(=O)Cc1cncnc1 1458a_100000062450_100015196519 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.43 CC(F)C(=O)Cc1ncccn1 1458a_100000062450_100000703007 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 11a_100102631434_200000086051 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 240690a_100102631434_200000086051 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 527a_100102631434_200000086051 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.43 CN(C)C(=O)Cc1ccncc1 11a_100102631434_100011201483 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.43 CN(C)C(=O)Cc1ccncc1 240690a_100102631434_100011201483 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.43 CN(C)C(=O)Cc1cnccn1 11a_100102631434_100000726051 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.43 CN(C)C(=O)Cc1cnccn1 240690a_100102631434_100000726051 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.43 CN(C)C(=O)Cc1cnccn1 527a_100102631434_100000726051 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.43 CN(C)C(=O)Cc1cncnc1 11a_100102631434_100000721575 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.43 CN(C)C(=O)Cc1cncnc1 240690a_100102631434_100000721575 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.43 CN(C)C(=O)Cc1cncnc1 527a_100102631434_100000721575 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,0|1,0,0]=2 669 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.43 C[C@@H](O)C(=O)Cc1cccnn1 1458a_100000717761_100016990269 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.43 C[C@@H](O)C(=O)Cc1cnccn1 1458a_100000717761_100016995436 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.43 C[C@@H](O)C(=O)Cc1cncnc1 1458a_100000717761_100015196519 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.43 C[C@@H](O)C(=O)Cc1ncccn1 1458a_100000717761_100000703007 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,0|1,0,0]=2 678 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,0|2,0,0]=3 680 B12R1.43 C[C@H](O)C(=O)Cc1cccnn1 1458a_217856618621_100016990269 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.43 C[C@H](O)C(=O)Cc1cnccn1 1458a_217856618621_100016995436 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.43 C[C@H](O)C(=O)Cc1cncnc1 1458a_217856618621_100015196519 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.43 C[C@H](O)C(=O)Cc1ncccn1 1458a_217856618621_100000703007 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,0|2,0,0]=3 686 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,0|2,0,1]=4 699 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|1,0,2]=4 701 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,1,0,0,0,0|1,0,1]=3 702 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,1,0,0,0,0|1,0,1]=3 703 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,1,0,0,0,0|1,0,1]=3 704 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,1,0,0,0,0|1,0,1]=3 705 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.49 C#CC(=O)Cc1ccc(cn1)Br 1458a_100000211873_100000702658 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.49 C#CC(=O)Cc1ccc(cn1)C 1458a_100000211873_100000691093 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.49 C#CC(=O)Cc1ccc(cn1)Cl 1458a_100000211873_100012066911 [0,1,0,0,0,0|2,0,1]=4 709 B12R1.49 C#CC(=O)Cc1ccc(cn1)F 1458a_100000211873_100000703193 [0,1,0,0,0,0|2,0,1]=4 710 B12R1.49 C#CC(=O)Cc1ccc(nc1)Br 1458a_100000211873_100009831999 [0,1,0,0,0,0|2,0,1]=4 711 B12R1.49 C#CC(=O)Cc1ccc(nc1)C 1458a_100000211873_100016987292 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.49 C#CC(=O)Cc1ccc(nc1)Cl 1458a_100000211873_100000735431 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.49 C#CC(=O)Cc1ccc(nc1)F 1458a_100000211873_100009820150 [0,1,0,0,0,0|2,0,1]=4 714 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,0|1,0,1]=3 715 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,0|1,0,1]=3 716 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,0|1,0,1]=3 717 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,0|1,0,1]=3 718 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,0|1,0,1]=3 719 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,1,0,0,0,0|2,0,1]=4 721 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,1,0,0,0,0|2,0,1]=4 722 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,1,0,0,0,0|2,0,1]=4 726 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,0|2,0,1]=4 735 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,0|2,0,1]=4 736 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,0|2,0,1]=4 737 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,0|2,0,1]=4 738 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,0,0|1,0,1]=3 739 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,0,0|1,0,1]=3 740 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|2,0,1]=4 742 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,0|1,0,0]=2 743 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,0|1,0,0]=2 744 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,0|1,0,0]=2 745 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,0|1,0,0]=2 746 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,0|1,0,0]=2 747 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,0|1,0,0]=2 748 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,0|1,0,0]=2 749 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,0|1,0,0]=2 750 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,0|1,0,0]=2 751 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,0|1,0,0]=2 752 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,0|1,0,0]=2 753 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,1,0,0,0,0|2,0,0]=3 758 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,1,0,0,0,0|2,0,0]=3 761 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,1,0,0,0,0|2,0,0]=3 762 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,1,0,0,0,0|2,0,0]=3 763 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,1,0,0,0,0|2,0,0]=3 764 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,1,0,0,0,0|2,0,0]=3 765 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,1,0,0,0,0|2,0,0]=3 766 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.49 CCC(=O)Cc1ccc(nn1)Cl 1458a_100000210414_100016992710 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.49 CCC(=O)Cc1cnc(cn1)C 1458a_100000210414_100000752025 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.49 CCC(=O)Cc1ncc(cn1)Br 1458a_100000210414_100010064664 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.49 CCC(=O)Cc1ncc(cn1)C 1458a_100000210414_100000685645 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,0|2,0,0]=3 777 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,0|2,0,0]=3 789 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,0|2,0,0]=3 790 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [0,1,0,0,0,0|3,0,0]=4 826 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,0|1,0,0]=2 840 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,0|1,0,0]=2 841 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,0|1,0,0]=2 842 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,0|1,0,0]=2 843 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,0|1,0,0]=2 844 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,0|1,0,0]=2 845 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,0|1,0,0]=2 846 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,0|1,0,0]=2 847 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,0|1,0,0]=2 848 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,0|1,0,0]=2 849 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,0|1,0,0]=2 850 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,0|1,0,0]=2 851 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,0|1,0,0]=2 852 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,0|1,0,0]=2 853 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,0|1,0,0]=2 854 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,0|1,0,0]=2 855 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,0|1,0,0]=2 856 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,0|1,0,0]=2 857 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,0|1,0,0]=2 858 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,0|1,0,0]=2 859 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,0|1,0,0]=2 860 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,0,0,0,0|2,0,0]=3 867 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,0,0,0,0|2,0,0]=3 868 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.49 CNC(=O)Cc1ncc(cn1)Br 240690a_100102657272_100012357043 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,1,0,0,0,0|2,0,0]=3 883 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,1,0,0,0,0|2,0,0]=3 884 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,0|2,0,0]=3 888 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,0|2,0,0]=3 889 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,0|2,0,0]=3 890 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,0|2,0,0]=3 891 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,1,0,0,0,0|2,0,1]=4 892 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,1,0,0,0,0|2,0,1]=4 893 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,0,0|2,0,1]=4 894 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,1,0,0,0,0|2,0,1]=4 895 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,0,0|2,0,1]=4 897 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,0,0|2,0,1]=4 898 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,0|0,0,0]=1 899 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,0,0|1,0,0]=2 900 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,0|1,0,0]=2 901 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,0|1,0,0]=2 903 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,0|2,0,0]=3 904 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,0,0|1,0,1]=3 905 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,0,0|1,0,1]=3 906 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [0,1,0,0,0,0|2,0,1]=4 908 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,1,0,0,0,0|2,0,1]=4 909 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,1,0,0,0,0|2,0,1]=4 910 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,1,0,0,0,0|2,0,1]=4 911 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [0,1,0,0,0,0|2,0,1]=4 913 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [0,1,0,0,0,0|2,0,1]=4 915 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [0,1,0,0,0,0|2,0,1]=4 916 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,0,0,0,0|2,0,1]=4 917 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,0|2,0,0]=3 918 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,0|2,0,0]=3 919 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,0|2,0,0]=3 926 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,0|2,0,0]=3 927 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,0|2,0,0]=3 928 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,0|2,0,0]=3 929 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.49 O=C(CF)Cc1ccc(nc1)Br 1458a_100010067268_100015361967 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.49 O=C(CF)Cc1ccc(nc1)Cl 1458a_100000061944_100015361967 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.49 O=C(CF)Cn1ccc(=O)cc1 1458a_200000238563_100015361967 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.50 C#CC(=O)Cc1cc(ccn1)Br 1458a_100000211873_100010173614 [0,1,0,0,0,0|2,0,1]=4 955 B12R1.50 C#CC(=O)Cc1cc(ccn1)C 1458a_100000211873_100000718516 [0,1,0,0,0,0|2,0,1]=4 956 B12R1.50 C#CC(=O)Cc1cc(ccn1)Cl 1458a_100000211873_100016988179 [0,1,0,0,0,0|2,0,1]=4 957 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,1,0,0,0,0|1,0,1]=3 958 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,0|1,0,1]=3 959 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,1,0,0,0,0|1,0,1]=3 960 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,1,0,0,0,0|1,0,1]=3 961 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,1,0,0,0,0|1,0,1]=3 962 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,0,0,0,0|1,0,1]=3 963 B12R1.50 C#CC(=O)Cc1cccc(n1)Br 1458a_100000211873_100009889011 [0,1,0,0,0,0|2,0,1]=4 964 B12R1.50 C#CC(=O)Cc1cccc(n1)C 1458a_100000211873_100000757606 [0,1,0,0,0,0|2,0,1]=4 965 B12R1.50 C#CC(=O)Cc1cccc(n1)Cl 1458a_100000211873_100000086093 [0,1,0,0,0,0|2,0,1]=4 966 B12R1.50 C#CC(=O)Cc1cccc(n1)F 1458a_100000211873_100009819644 [0,1,0,0,0,0|2,0,1]=4 967 B12R1.50 C#CC(=O)Cc1ccnc(c1)Br 1458a_100000211873_100010243470 [0,1,0,0,0,0|2,0,1]=4 968 B12R1.50 C#CC(=O)Cc1ccnc(c1)C 1458a_100000211873_200020672517 [0,1,0,0,0,0|2,0,1]=4 969 B12R1.50 C#CC(=O)Cc1ccnc(c1)Cl 1458a_100000211873_100000764220 [0,1,0,0,0,0|2,0,1]=4 970 B12R1.50 C#CC(=O)Cc1cncc(c1)Br 1458a_100000211873_100011740620 [0,1,0,0,0,0|2,0,1]=4 971 B12R1.50 C#CC(=O)Cc1cncc(c1)C 1458a_100000211873_100000716715 [0,1,0,0,0,0|2,0,1]=4 972 B12R1.50 C#CC(=O)Cc1cncc(c1)Cl 1458a_100000211873_100016992070 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.50 C#CC(=O)Cc1cncc(c1)F 1458a_100000211873_100000725299 [0,1,0,0,0,0|2,0,1]=4 974 B12R1.50 C=CC(=O)Cc1cc(ccn1)Br 1458a_100000185746_100010173614 [0,1,0,0,0,0|2,0,1]=4 975 B12R1.50 C=CC(=O)Cc1cc(ccn1)C 1458a_100000185746_100000718516 [0,1,0,0,0,0|2,0,1]=4 976 B12R1.50 C=CC(=O)Cc1cc(ccn1)Cl 1458a_100000185746_100016988179 [0,1,0,0,0,0|2,0,1]=4 977 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,0|1,0,1]=3 978 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,0|1,0,1]=3 979 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,0|1,0,1]=3 980 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,0|1,0,1]=3 981 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,0|1,0,1]=3 982 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,0|1,0,1]=3 983 B12R1.50 C=CC(=O)Cc1cccc(n1)Br 1458a_100000185746_100009889011 [0,1,0,0,0,0|2,0,1]=4 984 B12R1.50 C=CC(=O)Cc1cccc(n1)C 1458a_100000185746_100000757606 [0,1,0,0,0,0|2,0,1]=4 985 B12R1.50 C=CC(=O)Cc1cccc(n1)Cl 1458a_100000185746_100000086093 [0,1,0,0,0,0|2,0,1]=4 986 B12R1.50 C=CC(=O)Cc1cccc(n1)F 1458a_100000185746_100009819644 [0,1,0,0,0,0|2,0,1]=4 987 B12R1.50 C=CC(=O)Cc1ccnc(c1)Br 1458a_100000185746_100010243470 [0,1,0,0,0,0|2,0,1]=4 988 B12R1.50 C=CC(=O)Cc1ccnc(c1)C 1458a_100000185746_200020672517 [0,1,0,0,0,0|2,0,1]=4 989 B12R1.50 C=CC(=O)Cc1ccnc(c1)Cl 1458a_100000185746_100000764220 [0,1,0,0,0,0|2,0,1]=4 990 B12R1.50 C=CC(=O)Cc1cncc(c1)Br 1458a_100000185746_100011740620 [0,1,0,0,0,0|2,0,1]=4 991 B12R1.50 C=CC(=O)Cc1cncc(c1)C 1458a_100000185746_100000716715 [0,1,0,0,0,0|2,0,1]=4 992 B12R1.50 C=CC(=O)Cc1cncc(c1)Cl 1458a_100000185746_100016992070 [0,1,0,0,0,0|2,0,1]=4 993 B12R1.50 C=CC(=O)Cc1cncc(c1)F 1458a_100000185746_100000725299 [0,1,0,0,0,0|2,0,1]=4 994 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,0|2,0,1]=4 995 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,0|2,0,1]=4 996 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,0|2,0,1]=4 997 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,0|2,0,1]=4 998 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,0|2,0,1]=4 999 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,0|2,0,1]=4 1000 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,0|2,0,1]=4 1001 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,0|2,0,1]=4 1002 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,0|2,0,1]=4 1003 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,0|2,0,1]=4 1004 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,0|2,0,1]=4 1005 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,0|2,0,1]=4 1006 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,1,0,0,0,0|2,0,0]=3 1007 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,0|1,0,0]=2 1010 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,0|1,0,0]=2 1011 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,0|1,0,0]=2 1012 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,0|1,0,0]=2 1013 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,0|1,0,0]=2 1014 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,0|1,0,0]=2 1015 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,0|1,0,0]=2 1016 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,0|1,0,0]=2 1017 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,0|1,0,0]=2 1018 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,0|1,0,0]=2 1019 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,0|1,0,0]=2 1020 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,0|1,0,0]=2 1021 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,1,0,0,0,0|2,0,0]=3 1022 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,1,0,0,0,0|2,0,0]=3 1025 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,1,0,0,0,0|2,0,0]=3 1026 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100000210414_100010243470 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210202 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.50 CCC(=O)Cc1ccnc(c1)Cl 1458a_100000210414_100000764220 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.50 CCC(=O)Cc1ccnc(n1)Cl 1458a_100000210414_100000099655 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,1,0,0,0,0|2,0,0]=3 1037 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,1,0,0,0,0|2,0,0]=3 1038 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,1,0,0,0,0|2,0,0]=3 1039 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,0|2,0,0]=3 1049 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,0|2,0,0]=3 1051 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,0|2,0,0]=3 1052 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,0|2,0,0]=3 1053 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,0|2,0,0]=3 1054 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,0|2,0,0]=3 1055 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,0|2,0,0]=3 1056 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,0|2,0,0]=3 1057 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,0|2,0,0]=3 1058 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,0|2,0,0]=3 1059 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1060 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,1,0,0,0,0|3,0,0]=4 1101 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,0|1,0,0]=2 1110 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,0|1,0,0]=2 1111 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,0|1,0,0]=2 1112 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,0|1,0,0]=2 1113 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,0|1,0,0]=2 1114 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,0|1,0,0]=2 1115 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,0|1,0,0]=2 1116 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,0|1,0,0]=2 1117 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,0|1,0,0]=2 1118 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,0|1,0,0]=2 1119 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,0|1,0,0]=2 1120 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,0|1,0,0]=2 1121 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,0|1,0,0]=2 1122 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,0|1,0,0]=2 1123 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,0|1,0,0]=2 1124 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,0|1,0,0]=2 1125 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,0|1,0,0]=2 1126 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,0|1,0,0]=2 1127 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,0|1,0,0]=2 1128 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,0|1,0,0]=2 1129 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,0|1,0,0]=2 1130 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,0,0,0,0|2,0,0]=3 1131 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,0|2,0,0]=3 1134 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,0|2,0,0]=3 1135 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,0|2,0,0]=3 1136 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,0|2,0,0]=3 1137 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,0,0,0,0|2,0,0]=3 1138 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,0,0,0,0|2,0,0]=3 1139 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,1,0,0,0,0|2,0,0]=3 1150 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 11a_106832991635_100000095580 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 1626a_100102657272_100000095580 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 240690a_100102657272_100000095580 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 527a_100102657272_100000095580 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,0|2,0,0]=3 1164 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,1,0,0,0,0|2,0,1]=4 1172 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,1,0,0,0,0|2,0,1]=4 1173 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,0,0|1,0,0]=2 1175 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,0|0,0,0]=1 1177 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,0,0|1,0,0]=2 1178 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,0,0|1,0,0]=2 1179 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [0,1,0,0,0,0|2,0,1]=4 1180 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [0,1,0,0,0,0|2,0,1]=4 1181 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [0,1,0,0,0,0|2,0,1]=4 1182 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [0,1,0,0,0,0|2,0,1]=4 1183 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [0,1,0,0,0,0|2,0,1]=4 1184 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [0,1,0,0,0,0|2,0,1]=4 1185 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [0,1,0,0,0,0|2,0,1]=4 1186 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [0,1,0,0,0,0|2,0,1]=4 1187 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [0,1,0,0,0,0|2,0,1]=4 1188 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [0,1,0,0,0,0|2,0,1]=4 1189 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [0,1,0,0,0,0|2,0,1]=4 1190 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [0,1,0,0,0,0|2,0,1]=4 1191 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [0,1,0,0,0,0|2,0,1]=4 1192 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [0,1,0,0,0,0|2,0,1]=4 1193 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,0|2,0,0]=3 1195 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,0|2,0,0]=3 1196 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [0,1,0,0,0,0|2,0,1]=4 1201 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,0|2,0,0]=3 1204 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,0|2,0,0]=3 1205 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,0|2,0,0]=3 1206 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,0|2,0,0]=3 1207 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,0|2,0,0]=3 1208 B12R1.50 O=C(CF)Cc1cccc(n1)Br 1458a_100010201708_100015361967 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.50 O=C(CF)Cc1cccc(n1)Cl 1458a_100000090259_100015361967 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.50 O=C(CF)Cc1cccc(n1)F 1458a_100000096803_100015361967 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.50 O=C(CF)Cc1ccnc(c1)Br 1458a_100010126891_100015361967 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.50 O=C(CF)Cc1cncc(c1)Br 1458a_100000239331_100015361967 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.50 O=C(CF)Cc1cncc(c1)F 1458a_100011667516_100015361967 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,0|2,0,0]=3 1219 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,0|2,0,0]=3 1220 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,0|2,0,0]=3 1221 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,1,0,0,0,0|3,0,0]=4 1227 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,0|3,0,0]=4 1231 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,0|3,0,0]=4 1232 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,0|3,0,0]=4 1233 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,0|3,0,0]=4 1234 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,0|3,0,0]=4 1235 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,0|3,0,0]=4 1238 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,0,0|1,0,1]=3 1239 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,0,0|1,0,1]=3 1240 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,0,0|1,0,1]=3 1241 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,0,0|1,0,1]=3 1242 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,1,0,0,0,0|2,0,1]=4 1243 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,0,0|1,0,1]=3 1244 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,0,0|1,0,1]=3 1245 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,0,0|2,0,1]=4 1253 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,0,0|2,0,1]=4 1254 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,0,0|1,0,2]=4 1255 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,0,0|1,0,1]=3 1256 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,0,0|1,0,1]=3 1257 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,1,0,0,0,0|1,1,1]=4 1258 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,1,0,0,0,0|1,1,1]=4 1259 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,0,0|2,0,1]=4 1260 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,0,0|1,0,2]=4 1261 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,0,0|1,0,1]=3 1262 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,0,0|1,0,1]=3 1263 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,1,0,0,0,0|1,1,1]=4 1264 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,1,0,0,0,0|1,1,1]=4 1265 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,1,0,0,0,0|1,0,1]=3 1266 B12R1.194 CCS(=O)(=O)Nc1ccccc1 232682a_100000106764_100000211323 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,1,0,0,0,0|2,0,0]=3 1268 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,1,0,0,0,0|2,0,0]=3 1269 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,1,0,0,0,0|2,0,0]=3 1270 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,1,0,0,0,0|1,0,1]=3 1271 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,1,0,0,0,0|1,0,1]=3 1272 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,1,0,0,0,0|1,0,1]=3 1273 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,0|1,0,1]=3 1274 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,1,0,0,0,0|1,0,1]=3 1275 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,1,0,0,0,0|1,0,1]=3 1276 B12R1.371 C#CC(=O)Cc1cccnc1Br 1458a_100000211873_100010140945 [0,1,0,0,0,0|2,0,1]=4 1277 B12R1.371 C#CC(=O)Cc1cccnc1C 1458a_100000211873_100000732876 [0,1,0,0,0,0|2,0,1]=4 1278 B12R1.371 C#CC(=O)Cc1cccnc1Cl 1458a_100000211873_100000045678 [0,1,0,0,0,0|2,0,1]=4 1279 B12R1.371 C#CC(=O)Cc1cccnc1F 1458a_100000211873_100000099810 [0,1,0,0,0,0|2,0,1]=4 1280 B12R1.371 C#CC(=O)Cc1ccncc1C 1458a_100000211873_100020672808 [0,1,0,0,0,0|2,0,1]=4 1281 B12R1.371 C#CC(=O)Cc1ccncc1Cl 1458a_100000211873_100000763264 [0,1,0,0,0,0|2,0,1]=4 1282 B12R1.371 C#CC(=O)Cc1cnccc1C 1458a_100000211873_100000690890 [0,1,0,0,0,0|2,0,1]=4 1283 B12R1.371 C#CC(=O)Cc1ncccc1Br 1458a_100000211873_100025702911 [0,1,0,0,0,0|2,0,1]=4 1284 B12R1.371 C#CC(=O)Cc1ncccc1C 1458a_100000211873_100000696600 [0,1,0,0,0,0|2,0,1]=4 1285 B12R1.371 C#CC(=O)Cc1ncccc1Cl 1458a_100000211873_100000099807 [0,1,0,0,0,0|2,0,1]=4 1286 B12R1.371 C#CC(=O)Cc1ncccc1F 1458a_100000211873_100000104219 [0,1,0,0,0,0|2,0,1]=4 1287 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [0,1,0,0,0,0|2,0,1]=4 1288 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,0|1,0,1]=3 1289 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,0|1,0,1]=3 1290 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,0|1,0,1]=3 1291 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,0|1,0,1]=3 1292 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,0|1,0,1]=3 1293 B12R1.371 C=CC(=O)Cc1cccnc1Br 1458a_100000185746_100010140945 [0,1,0,0,0,0|2,0,1]=4 1294 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [0,1,0,0,0,0|2,0,1]=4 1295 B12R1.371 C=CC(=O)Cc1cccnc1Cl 1458a_100000185746_100000045678 [0,1,0,0,0,0|2,0,1]=4 1296 B12R1.371 C=CC(=O)Cc1cccnc1F 1458a_100000185746_100000099810 [0,1,0,0,0,0|2,0,1]=4 1297 B12R1.371 C=CC(=O)Cc1ccncc1C 1458a_100000185746_100020672808 [0,1,0,0,0,0|2,0,1]=4 1298 B12R1.371 C=CC(=O)Cc1ccncc1Cl 1458a_100000185746_100000763264 [0,1,0,0,0,0|2,0,1]=4 1299 B12R1.371 C=CC(=O)Cc1cnccc1C 1458a_100000185746_100000690890 [0,1,0,0,0,0|2,0,1]=4 1300 B12R1.371 C=CC(=O)Cc1ncccc1Br 1458a_100000185746_100025702911 [0,1,0,0,0,0|2,0,1]=4 1301 B12R1.371 C=CC(=O)Cc1ncccc1C 1458a_100000185746_100000696600 [0,1,0,0,0,0|2,0,1]=4 1302 B12R1.371 C=CC(=O)Cc1ncccc1Cl 1458a_100000185746_100000099807 [0,1,0,0,0,0|2,0,1]=4 1303 B12R1.371 C=CC(=O)Cc1ncccc1F 1458a_100000185746_100000104219 [0,1,0,0,0,0|2,0,1]=4 1304 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [0,1,0,0,0,0|2,0,1]=4 1305 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,0|2,0,1]=4 1306 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,0|2,0,1]=4 1307 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,0|2,0,1]=4 1308 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,0|2,0,1]=4 1309 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,0|2,0,1]=4 1310 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,0|2,0,1]=4 1311 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,0|2,0,1]=4 1312 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,0|2,0,1]=4 1313 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,0|1,0,0]=2 1315 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,0|1,0,0]=2 1316 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,0|1,0,0]=2 1317 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,0|1,0,0]=2 1318 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,0|1,0,0]=2 1319 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,0|1,0,0]=2 1320 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,0|1,0,0]=2 1321 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,0|1,0,0]=2 1322 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,0|1,0,0]=2 1323 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,0|1,0,0]=2 1324 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,0|1,0,0]=2 1325 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,1,0,0,0,0|2,0,0]=3 1326 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,0|2,0,0]=3 1327 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,0|2,0,0]=3 1328 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,0|2,0,0]=3 1329 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,1,0,0,0,0|2,0,0]=3 1330 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,1,0,0,0,0|2,0,0]=3 1332 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,1,0,0,0,0|2,0,0]=3 1333 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,1,0,0,0,0|2,0,0]=3 1334 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,1,0,0,0,0|2,0,0]=3 1335 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,0|2,0,0]=3 1336 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,0|2,0,0]=3 1337 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,1,0,0,0,0|2,0,0]=3 1338 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,1,0,0,0,0|2,0,0]=3 1339 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,1,0,0,0,0|2,0,0]=3 1340 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,1,0,0,0,0|2,0,0]=3 1341 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,1,0,0,0,0|2,0,0]=3 1342 B12R1.371 CCC(=O)Cn1cccnc1=O 1458a_100000738077_100000210202 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.371 CCC(=O)Cn1ncccc1=O 1458a_100000238584_100000210202 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,0|2,0,0]=3 1345 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,0|2,0,0]=3 1352 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,0|2,0,0]=3 1353 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,0|2,0,0]=3 1354 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,0|2,0,0]=3 1357 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,0|2,0,0]=3 1358 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,0|2,0,0]=3 1359 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,0|2,0,0]=3 1360 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,0|2,0,0]=3 1361 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,0|2,0,0]=3 1362 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,0|2,0,0]=3 1363 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,1,0,0,0,0|3,0,0]=4 1366 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,1,0,0,0,0|3,0,0]=4 1368 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,1,0,0,0,0|3,0,0]=4 1369 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,1,0,0,0,0|3,0,0]=4 1385 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,1,0,0,0,0|3,0,0]=4 1386 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1387 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1389 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,1,0,0,0,0|3,0,0]=4 1390 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1392 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,1,0,0,0,0|3,0,0]=4 1398 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,1,0,0,0,0|3,0,0]=4 1399 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1400 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1402 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1404 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,0|1,0,0]=2 1405 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,0|1,0,0]=2 1406 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,0|1,0,0]=2 1407 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,0|1,0,0]=2 1408 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,0|1,0,0]=2 1409 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,0|1,0,0]=2 1410 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,0|1,0,0]=2 1411 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,0|1,0,0]=2 1412 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,0|1,0,0]=2 1413 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,0|1,0,0]=2 1414 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,0|1,0,0]=2 1415 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,0|1,0,0]=2 1416 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,0|1,0,0]=2 1417 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,0|1,0,0]=2 1418 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,0|1,0,0]=2 1419 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,0|1,0,0]=2 1420 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,0|1,0,0]=2 1421 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,0|1,0,0]=2 1422 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,0|1,0,0]=2 1423 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,0|1,0,0]=2 1424 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,0|1,0,0]=2 1425 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,0|1,0,0]=2 1426 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,0|2,0,0]=3 1427 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,0|2,0,0]=3 1428 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,0|2,0,0]=3 1430 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,0|2,0,0]=3 1431 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,0|2,0,0]=3 1432 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,0|2,0,0]=3 1433 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,0|2,0,0]=3 1434 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,0|2,0,0]=3 1435 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,0|2,0,0]=3 1436 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,0|2,0,0]=3 1437 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,0|2,0,0]=3 1438 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,0|2,0,0]=3 1439 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,0|2,0,0]=3 1440 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,0|2,0,0]=3 1441 B12R1.371 CNC(=O)Cn1cccnc1=O 1626a_100102657272_100000738077 [0,1,0,0,0,0|3,0,0]=4 1442 B12R1.371 CNC(=O)Cn1cccnc1=O 240690a_100102657272_100000738077 [0,1,0,0,0,0|3,0,0]=4 1443 B12R1.371 CNC(=O)Cn1ncccc1=O 11a_106832991635_100000238584 [0,1,0,0,0,0|3,0,0]=4 1444 B12R1.371 CNC(=O)Cn1ncccc1=O 1626a_100102657272_100000238584 [0,1,0,0,0,0|3,0,0]=4 1445 B12R1.371 CNC(=O)Cn1ncccc1=O 240690a_100102657272_100000238584 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.371 CNC(=O)Cn1ncccc1=O 527a_100102657272_100000238584 [0,1,0,0,0,0|3,0,0]=4 1447 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,0|2,0,0]=3 1448 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,0|2,0,0]=3 1449 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,0|2,0,0]=3 1450 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,0|2,0,0]=3 1451 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,0|2,0,0]=3 1452 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,0|2,0,0]=3 1453 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,0|2,0,1]=4 1454 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,0|2,0,1]=4 1455 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,0|2,0,1]=4 1456 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,0|2,0,1]=4 1457 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,0|0,0,0]=1 1458 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,0|1,0,0]=2 1459 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,0|1,0,0]=2 1460 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,0|1,0,0]=2 1461 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,1,0,0,0,0|2,0,1]=4 1462 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,1,0,0,0,0|2,0,1]=4 1463 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,0|2,0,1]=4 1464 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,0|2,0,1]=4 1465 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,1,0,0,0,0|2,0,1]=4 1466 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,1,0,0,0,0|2,0,1]=4 1467 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,1,0,0,0,0|2,0,1]=4 1468 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,1,0,0,0,0|2,0,1]=4 1469 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,1,0,0,0,0|2,0,1]=4 1470 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,1,0,0,0,0|2,0,1]=4 1471 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,0|2,0,1]=4 1472 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,0|2,0,1]=4 1473 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,0|2,0,0]=3 1474 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,0|2,0,0]=3 1475 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,0|3,0,0]=4 1476 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,0|3,0,0]=4 1477 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,0|3,0,0]=4 1479 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,0|3,0,0]=4 1480 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,1,0,0,0,0|3,0,0]=4 1481 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,0|2,0,0]=3 1483 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,0|2,0,0]=3 1484 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,0|2,0,0]=3 1485 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,0|2,0,0]=3 1486 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,0|2,0,0]=3 1487 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,0|2,0,0]=3 1488 B12R1.371 O=C(CF)Cc1cccnc1Cl 1458a_100000093521_100015361967 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.371 O=C(CF)Cn1ccccc1=O 1458a_100000189665_100015361967 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,0|2,0,0]=3 1493 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,0|2,0,0]=3 1494 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,0|2,0,0]=3 1495 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,0|2,0,0]=3 1496 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,0,0,0,0|3,0,0]=4 1504 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,0|3,0,0]=4 1505 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,0|3,0,0]=4 1506 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,0|3,0,0]=4 1508 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,0|3,0,0]=4 1509 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,0|3,0,0]=4 1510 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,0,1,0,0,0|1,0,2]=4 1511 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,0,1,0,0,0|2,0,0]=3 1512 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,0,1,0,0,0|2,0,0]=3 1513 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,0,1,0,0,0|1,0,0]=2 1514 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,0,1,0,0,0|1,0,2]=4 1515 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,0,1,0,0,0|1,0,2]=4 1516 B10R0.18 C=CCNC(=O)CC(=O)OC 240690a_100020586998_100000211351 [0,0,1,0,0,0|2,0,1]=4 1517 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,0,1,0,0,0|1,0,2]=4 1518 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,0,1,0,0,0|1,0,2]=4 1519 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,0,1,0,0,0|1,0,2]=4 1520 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [0,0,1,0,0,0|2,0,1]=4 1521 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,0|2,0,1]=4 1522 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,0|2,0,1]=4 1523 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,0|2,0,1]=4 1524 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,0|2,0,1]=4 1525 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,0|2,0,1]=4 1526 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,0|2,0,1]=4 1527 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,0|2,0,1]=4 1528 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,0|2,0,1]=4 1529 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|3,0,0]=4 1530 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|3,0,0]=4 1531 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|3,0,0]=4 1532 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|3,0,0]=4 1533 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1534 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1535 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1536 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1537 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1538 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1539 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|2,0,1]=4 1540 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|2,0,1]=4 1541 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|2,0,1]=4 1542 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|2,0,1]=4 1543 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,0,0,1,0,0|3,0,0]=4 1544 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,0,0,1,0,0|3,0,0]=4 1545 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,0,0,1,0,0|3,0,0]=4 1546 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,0,0|2,0,1]=4 1547 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,0,0|2,0,1]=4 1548 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,0,0|2,0,1]=4 1549 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,0,0|2,0,1]=4 1550 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,1,0,0|3,0,0]=4 1551 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,1,0,0|2,1,0]=4 1552 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,0,0|1,0,1]=3 1553 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,0,0|1,0,1]=3 1554 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,0,0,1,0,0|1,1,1]=4 1555 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,1,0,0|1,1,1]=4 1556 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,1,0,0|0,1,2]=4 1557 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,1,0,0|0,2,1]=4 1558 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [0,0,0,1,0,0|2,1,0]=4 1559 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [0,0,0,1,0,0|1,2,0]=4 1560 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,0,0|2,0,1]=4 1561 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,0,0|2,0,1]=4 1562 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,0,0|1,0,1]=3 1563 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,0,0,1,0,0|1,1,1]=4 1564 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,1,0,0|1,1,1]=4 1565 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,1,0,0|0,1,2]=4 1566 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,1,0,0|0,2,1]=4 1567 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [0,0,0,1,0,0|2,1,0]=4 1568 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [0,0,0,1,0,0|1,2,0]=4 1569 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,1,0,0|3,0,0]=4 1570 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,1,0|1,1,1]=4 1571 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,1,0|1,1,1]=4 1572 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,1,0|1,0,0]=2 1573 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,1,0|3,0,0]=4 1574 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,1,0|3,0,0]=4 1575 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,1,0|3,0,0]=4 1576 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,1,0|3,0,0]=4 1577 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,1,0|3,0,0]=4 1578 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,1,0|3,0,0]=4 1579 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,1,0|3,0,0]=4 1580 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,1,0|3,0,0]=4 1581 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,1,0|3,0,0]=4 1582 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,1,0|1,0,0]=2 1583 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,1,0|1,0,0]=2 1584 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,1,0|1,0,0]=2 1585 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,1,0|1,0,0]=2 1586 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,1,0|2,0,1]=4 1587 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,1,0|2,0,1]=4 1588 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,1,0|2,0,1]=4 1589 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,1,0|2,0,1]=4 1590 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,1,0|2,0,1]=4 1591 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,1,0|1,0,1]=3 1592 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,1,0|1,0,1]=3 1593 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,1,0|1,0,1]=3 1594 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,1,0|1,1,1]=4 1595 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,1,0|1,1,1]=4 1596 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,1,0|2,0,1]=4 1597 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,1,0|1,0,1]=3 1598 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,1,0|1,0,1]=3 1599 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,1,0|2,0,0]=3 1600 B10R1.27 C#CC(=O)Cc1ccsc1 1458a_100000211873_100011233845 [0,0,0,0,1,0|2,0,1]=4 1601 B10R1.27 C=CC(=O)Cc1ccsc1 1458a_100000185746_100011233845 [0,0,0,0,1,0|2,0,1]=4 1602 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,0,0,0,1,0|2,0,1]=4 1603 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,0,0,0,1,0|2,0,1]=4 1604 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,0,0,0,1,0|3,0,0]=4 1605 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,0,0,0,1,0|3,0,0]=4 1606 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,0,0,0,1,0|2,0,0]=3 1607 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,0,0,0,1,0|2,0,0]=3 1608 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,0,0,0,1,0|2,0,0]=3 1609 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,0,0,0,1,0|3,0,0]=4 1610 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,0,0,0,1,0|3,0,0]=4 1611 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,0,0,0,1,0|2,0,0]=3 1612 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,0,0,0,1,0|3,0,0]=4 1613 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,0,0,0,1,0|2,0,0]=3 1614 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,0,0,0,1,0|2,0,0]=3 1615 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,0,0,0,1,0|3,0,0]=4 1616 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,0,0,0,1,0|3,0,0]=4 1617 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,0,0,0,1,0|3,0,0]=4 1618 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,1,0|3,0,0]=4 1619 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,1,0|3,0,0]=4 1620 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,0,0,0,1,0|2,0,0]=3 1621 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,0,0,0,1,0|3,0,0]=4 1622 B10R1.27 CCC(=O)Cn1ccnc1 1458a_100000739072_100000210202 [0,0,0,0,1,0|3,0,0]=4 1623 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,0,0,0,1,0|3,0,0]=4 1624 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,0,0,0,1,0|2,0,0]=3 1625 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,0,0,0,1,0|2,0,0]=3 1626 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,0,0,0,1,0|2,0,0]=3 1627 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,0,0,0,1,0|2,0,0]=3 1628 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,0,0,0,1,0|2,0,0]=3 1629 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,0,0,0,1,0|2,0,0]=3 1630 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,0,0,0,1,0|2,0,0]=3 1631 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,0,0,0,1,0|2,0,0]=3 1632 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,0,0,0,1,0|3,0,0]=4 1633 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,0,0,0,1,0|3,0,0]=4 1634 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,0,0,0,1,0|3,0,0]=4 1635 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,0,0,0,1,0|3,0,0]=4 1636 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,0,0,0,1,0|2,0,0]=3 1637 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,0,0,0,1,0|2,0,0]=3 1638 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,0,0,0,1,0|2,0,0]=3 1639 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,0,0,0,1,0|2,0,0]=3 1640 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,0,0,0,1,0|2,0,0]=3 1641 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,0,0,0,1,0|2,0,0]=3 1642 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,0,0,0,1,0|2,0,0]=3 1643 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,0,0,0,1,0|2,0,0]=3 1644 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,0,0,0,1,0|3,0,0]=4 1645 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,0,0,0,1,0|3,0,0]=4 1646 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,0,0,0,1,0|3,0,0]=4 1647 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,0,0,0,1,0|3,0,0]=4 1648 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,0,0,0,1,0|2,0,0]=3 1649 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,0,0,0,1,0|2,0,0]=3 1650 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,0,0,0,1,0|2,0,0]=3 1651 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,0,0,0,1,0|3,0,0]=4 1652 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,0,0,0,1,0|3,0,0]=4 1653 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,0,0,0,1,0|3,0,0]=4 1654 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,0,0,0,1,0|3,0,0]=4 1655 B10R1.27 CNC(=O)Cn1ccnc1 11a_106832991635_100000739072 [0,0,0,0,1,0|3,0,0]=4 1656 B10R1.27 CNC(=O)Cn1ccnc1 1626a_100102657272_100000739072 [0,0,0,0,1,0|3,0,0]=4 1657 B10R1.27 CNC(=O)Cn1ccnc1 240690a_100102657272_100000739072 [0,0,0,0,1,0|3,0,0]=4 1658 B10R1.27 COC(=O)CN1CC=CC1 269982a_100015195280_100000747449 [0,0,0,0,1,0|1,0,2]=4 1659 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,0,0,0,1,0|2,0,1]=4 1660 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,0,0,0,1,0|2,0,1]=4 1661 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,0,0,0,1,0|3,0,0]=4 1662 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,0,0,0,1,0|3,0,0]=4 1663 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,0,0,0,1,0|3,0,0]=4 1664 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,0,0,0,1,0|3,0,0]=4 1665 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,0,0,0,1,0|3,0,0]=4 1666 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,0,0,0,1,0|3,0,0]=4 1667 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,0,0,0,1,0|3,0,0]=4 1668 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,0,0,0,0,1|1,0,1]=3 1669 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,0,0,0,0,1|2,0,1]=4 1670 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,0,0,0,0,1|2,0,1]=4 1671 B12R1.27 C#CC(=O)CCc1ccncc1 1458a_100000211873_100000723409 [0,0,0,0,0,1|2,0,1]=4 1672 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,0,0,0,0,1|3,0,0]=4 1673 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,0,0,0,0,1|3,0,0]=4 1674 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,0,0,0,0,1|3,0,0]=4 1675 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,1|1,0,1]=3 1676 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,0,0,0,0,1|2,0,1]=4 1677 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,0,0,0,0,1|2,0,1]=4 1678 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,0,0,0,0,1|2,0,1]=4 1679 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,1|1,0,1]=3 1680 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,1|1,0,1]=3 1681 B12R1.27 C=CC(=O)NCc1ccccn1 1626a_100000210449_100000185746 [0,0,0,0,0,1|2,0,1]=4 1682 B12R1.27 C=CC(=O)NCc1ccccn1 240690a_100000210449_200121576911 [0,0,0,0,0,1|2,0,1]=4 1683 B12R1.27 C=CC(=O)NCc1cccnc1 240690a_100000210453_200121576911 [0,0,0,0,0,1|2,0,1]=4 1684 B12R1.27 C=CC(=O)NCc1ccncc1 1626a_100000210450_100000185746 [0,0,0,0,0,1|2,0,1]=4 1685 B12R1.27 C=CC(=O)NCc1ccncc1 240690a_100000210450_200121576911 [0,0,0,0,0,1|2,0,1]=4 1686 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,1|2,0,1]=4 1687 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,0,0,0,0,1|1,0,2]=4 1688 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,0,0,0,0,1|1,0,2]=4 1689 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,0,0,0,1|2,0,1]=4 1690 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,0,0,0,1|2,0,1]=4 1691 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,0,0,0,1|2,0,1]=4 1692 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,0,0,0,1|2,0,1]=4 1693 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,1|1,0,1]=3 1694 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,1|1,0,1]=3 1695 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,0,1|1,0,1]=3 1696 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,0,0,0,0,1|2,0,1]=4 1697 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,1|1,0,1]=3 1698 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,0,0,0,1|2,0,1]=4 1699 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,0,0,0,1|2,0,1]=4 1700 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,0,0,0,0,1|2,0,1]=4 1701 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,1|1,0,0]=2 1702 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,1|1,0,0]=2 1703 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,0,0,0,0,1|2,0,0]=3 1704 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,0,0,0,0,1|2,0,0]=3 1705 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,0,0,0,0,1|2,0,0]=3 1706 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,0,0,0,0,1|2,0,0]=3 1707 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,0,0,0,0,1|2,0,0]=3 1708 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,0,0,0,0,1|2,0,0]=3 1709 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,1|1,0,0]=2 1710 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,1|1,0,0]=2 1711 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,0,0,0,0,1|2,0,0]=3 1712 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,0,0,0,0,1|2,0,0]=3 1713 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,0,0,0,0,1|2,0,0]=3 1714 B12R1.27 CCC(=O)COc1cncnc1 7a_100000754086_100000747405 [0,0,0,0,0,1|3,0,0]=4 1715 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,1|1,0,0]=2 1716 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,1|1,0,0]=2 1717 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,1|1,0,0]=2 1718 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,0,0,0,0,1|2,0,0]=3 1719 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,0,0,0,0,1|2,0,0]=3 1720 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,0,0,0,0,1|2,0,0]=3 1721 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,0,0,0,0,1|2,0,0]=3 1722 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,0,0,0,0,1|2,0,0]=3 1723 B12R1.27 CCC(=O)CSc1cccnn1 62a_100000747405_100016991348 [0,0,0,0,0,1|3,0,0]=4 1724 B12R1.27 CCC(=O)CSc1cccnn1 62a_100016991348_100000747405 [0,0,0,0,0,1|3,0,0]=4 1725 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,0,0,0,0,1|2,0,0]=3 1726 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,0,0,0,0,1|2,0,0]=3 1727 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,0,0,0,0,1|2,0,0]=3 1728 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000703185_100000747405 [0,0,0,0,0,1|3,0,0]=4 1729 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000747405_100000703185 [0,0,0,0,0,1|3,0,0]=4 1730 B12R1.27 CCC(=O)CSc1ccnnc1 62a_100000732662_100000747405 [0,0,0,0,0,1|3,0,0]=4 1731 B12R1.27 CCC(=O)CSc1ccnnc1 62a_100000747405_100000732662 [0,0,0,0,0,1|3,0,0]=4 1732 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000211759_100000747405 [0,0,0,0,0,1|3,0,0]=4 1733 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000747405_100000211759 [0,0,0,0,0,1|3,0,0]=4 1734 B12R1.27 CCC(=O)CSc1cncnc1 62a_100000747405_100011206942 [0,0,0,0,0,1|3,0,0]=4 1735 B12R1.27 CCC(=O)CSc1cncnc1 62a_100011206942_100000747405 [0,0,0,0,0,1|3,0,0]=4 1736 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000211032_100000747405 [0,0,0,0,0,1|3,0,0]=4 1737 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000747405_100000211032 [0,0,0,0,0,1|3,0,0]=4 1738 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,1|1,0,0]=2 1739 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,1|1,0,0]=2 1740 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,1|1,0,0]=2 1741 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,1|1,0,0]=2 1742 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,0,0,0,0,1|2,0,0]=3 1743 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,0,0,0,0,1|2,0,0]=3 1744 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,0,0,0,0,1|2,0,0]=3 1745 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,0,0,0,0,1|2,0,0]=3 1746 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,0,0,0,0,1|2,0,0]=3 1747 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,0,0,0,0,1|2,0,0]=3 1748 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,0,0,0,0,1|2,0,0]=3 1749 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,0,0,0,0,1|3,0,0]=4 1750 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,0,0,0,0,1|3,0,0]=4 1751 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,0,0,0,0,1|3,0,0]=4 1752 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,0,0,0,0,1|2,0,0]=3 1753 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,0,0,0,0,1|2,0,0]=3 1754 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,0,0,0,0,1|2,0,0]=3 1755 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,0,0,0,0,1|2,0,0]=3 1756 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [0,0,0,0,0,1|3,0,0]=4 1757 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [0,0,0,0,0,1|3,0,0]=4 1758 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [0,0,0,0,0,1|3,0,0]=4 1759 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,0,0,0,0,1|3,0,0]=4 1760 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,0,0,0,0,1|3,0,0]=4 1761 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,0,0,0,0,1|3,0,0]=4 1762 B12R1.27 CCC(=O)NCc1cncnc1 11a_100011243677_100000210414 [0,0,0,0,0,1|3,0,0]=4 1763 B12R1.27 CCC(=O)NCc1cncnc1 240690a_100011243677_100000210414 [0,0,0,0,0,1|3,0,0]=4 1764 B12R1.27 CCC(=O)NCc1cncnc1 527a_100011243677_100000210414 [0,0,0,0,0,1|3,0,0]=4 1765 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [0,0,0,0,0,1|3,0,0]=4 1766 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [0,0,0,0,0,1|3,0,0]=4 1767 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [0,0,0,0,0,1|3,0,0]=4 1768 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,0,1|2,0,0]=3 1769 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,0,0,0,0,1|3,0,0]=4 1770 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,0,0,0,0,1|3,0,0]=4 1771 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [0,0,0,0,0,1|3,0,0]=4 1772 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,0,0,0,0,1|2,0,1]=4 1773 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,0,0,0,1|2,0,1]=4 1774 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,0,0,0,1|2,0,1]=4 1775 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,0,0,0,0,1|2,0,1]=4 1776 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,0,0,0,0,1|2,0,1]=4 1777 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,0,0,0,0,1|2,0,1]=4 1778 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,0,0,0,0,1|2,0,1]=4 1779 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,0,0,0,0,1|2,0,1]=4 1780 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,0,0,0,0,1|2,0,1]=4 1781 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,0,0,0,0,1|2,0,1]=4 1782 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,0,0,0,1|2,0,1]=4 1783 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,0,0,0,1|2,0,1]=4 1784 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,0,0,0,1|2,0,1]=4 1785 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,0,0,0,0,1|2,0,1]=4 1786 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,0,0,0,0,1|2,0,1]=4 1787 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,0,0,0,0,1|1,0,2]=4 1788 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,0,0,0,0,1|1,0,2]=4 1789 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,0,0,0,0,1|1,0,2]=4 1790 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,0,0,0,0,1|1,0,2]=4 1791 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,0,0,0,0,1|1,0,2]=4 1792 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,0,0,0,0,1|3,0,0]=4 1793 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,0,0,0,0,1|3,0,0]=4 1794 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,0,0,0,0,1|3,0,0]=4 1795 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,0,0,0,0,1|3,0,0]=4 1796 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,0,0,0,0,1|3,0,0]=4 1797 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,0,0,0,0,1|3,0,0]=4 1798 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,0,0,0,0,1|3,0,0]=4 1799 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,0,0,0,0,1|3,0,0]=4 1800 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,0,0,0,0,1|3,0,0]=4 1801 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,0,0,0,0,1|3,0,0]=4 1802 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,0,0,0,0,1|2,0,1]=4 1803 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,0,0,0,1|2,0,1]=4 1804 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,0,0,0,1|2,0,1]=4 1805 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,0,0,0,0,1|2,0,1]=4 1806 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,0,0,0,0,1|2,0,1]=4 1807 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,1|1,0,1]=3 1808 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,1|1,0,1]=3 1809 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,1|1,0,1]=3 1810 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,0,0,0,1|2,0,1]=4 1811 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,0,0,0,1|2,0,1]=4 1812 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,0,1|2,0,1]=4 1813 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,0,1|2,0,1]=4 1814 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,0,0,0,1|2,0,1]=4 1815 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,1|1,0,0]=2 1816 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,1|1,0,0]=2 1817 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,1|1,0,0]=2 1818 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,1|1,0,0]=2 1819 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,0,0,0,1|2,0,0]=3 1820 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,0,0,0,1|2,0,0]=3 1821 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,0,0,0,1|2,0,0]=3 1822 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,1|2,0,0]=3 1823 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,1|2,0,0]=3 1824 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,1|2,0,0]=3 1825 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,1|2,0,0]=3 1826 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,0,0,0,1|2,0,0]=3 1827 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,0,0,0,1|2,0,0]=3 1828 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,0,0,0,1|2,0,0]=3 1829 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,1|1,0,0]=2 1830 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,0,0,0,0,1|3,0,0]=4 1831 B12R1.27 CNC(=O)CNc1ccncn1 27a_100000693194_100000703185 [0,0,0,0,0,1|3,0,0]=4 1832 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.27 CNC(=O)CNc1ncccn1 27a_100000693194_100000211032 [0,0,0,0,0,1|3,0,0]=4 1834 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,1|1,0,0]=2 1835 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,1|1,0,0]=2 1836 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,1|1,0,0]=2 1837 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,1|1,0,0]=2 1838 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,1|1,0,0]=2 1839 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,1|1,0,0]=2 1840 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,0,0,0,1|2,0,0]=3 1841 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,0,0,0,1|2,0,0]=3 1842 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,0,0,0,1|2,0,0]=3 1843 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,1|2,0,0]=3 1844 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,1|2,0,0]=3 1845 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,1|2,0,0]=3 1846 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,1|2,0,0]=3 1847 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,1|2,0,0]=3 1848 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,1|2,0,0]=3 1849 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,0,0,0,1|2,0,0]=3 1850 B12R1.27 CNC(=O)COc1ccnnc1 34a_100015204005_100000183359 [0,0,0,0,0,1|3,0,0]=4 1851 B12R1.27 CNC(=O)COc1cncnc1 7a_100000754086_100000183359 [0,0,0,0,0,1|3,0,0]=4 1852 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,1|1,0,0]=2 1853 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,1|1,0,0]=2 1854 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,1|1,0,0]=2 1855 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,1|1,0,0]=2 1856 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,1|1,0,0]=2 1857 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,1|1,0,0]=2 1858 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,0,0,0,1|2,0,0]=3 1859 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,0,0,0,1|2,0,0]=3 1860 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,0,0,0,1|2,0,0]=3 1861 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,0,0,0,1|2,0,0]=3 1862 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,0,0,0,1|2,0,0]=3 1863 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,1|2,0,0]=3 1864 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,1|2,0,0]=3 1865 B12R1.27 CNC(=O)CSc1cccnn1 62a_100000183359_100016991348 [0,0,0,0,0,1|3,0,0]=4 1866 B12R1.27 CNC(=O)CSc1cccnn1 62a_100016991348_100000183359 [0,0,0,0,0,1|3,0,0]=4 1867 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,0,0,0,1|2,0,0]=3 1868 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,0,0,0,1|2,0,0]=3 1869 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,0,0,0,1|2,0,0]=3 1870 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,0,0,0,1|2,0,0]=3 1871 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,0,0,0,1|2,0,0]=3 1872 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,0,0,0,1|2,0,0]=3 1873 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000183359_100000703185 [0,0,0,0,0,1|3,0,0]=4 1874 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000703185_100000183359 [0,0,0,0,0,1|3,0,0]=4 1875 B12R1.27 CNC(=O)CSc1ccnnc1 62a_100000183359_100000732662 [0,0,0,0,0,1|3,0,0]=4 1876 B12R1.27 CNC(=O)CSc1ccnnc1 62a_100000732662_100000183359 [0,0,0,0,0,1|3,0,0]=4 1877 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000183359_100000211759 [0,0,0,0,0,1|3,0,0]=4 1878 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000211759_100000183359 [0,0,0,0,0,1|3,0,0]=4 1879 B12R1.27 CNC(=O)CSc1cncnc1 62a_100000183359_100011206942 [0,0,0,0,0,1|3,0,0]=4 1880 B12R1.27 CNC(=O)CSc1cncnc1 62a_100011206942_100000183359 [0,0,0,0,0,1|3,0,0]=4 1881 B12R1.27 CNC(=O)CSc1ncccn1 240690a_100102657272_200000156282 [0,0,0,0,0,1|3,0,0]=4 1882 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000183359_100000211032 [0,0,0,0,0,1|3,0,0]=4 1883 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000211032_100000183359 [0,0,0,0,0,1|3,0,0]=4 1884 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,1|1,0,0]=2 1885 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,1|1,0,0]=2 1886 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,1|1,0,0]=2 1887 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,1|1,0,0]=2 1888 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,1|1,0,0]=2 1889 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,1|1,0,0]=2 1890 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,0,0,0,1|2,0,0]=3 1891 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,0,0,0,1|2,0,0]=3 1892 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,0,0,0,1|2,0,0]=3 1893 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,0,0,0,1|2,0,0]=3 1894 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,0,0,0,1|2,0,0]=3 1895 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,1|2,0,0]=3 1896 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,1|2,0,0]=3 1897 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,1|2,0,0]=3 1898 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,1|2,0,0]=3 1899 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,1|2,0,0]=3 1900 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,1|2,0,0]=3 1901 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,0,0,0,0,1|3,0,0]=4 1902 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,0,0,0,0,1|3,0,0]=4 1903 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,0,0,0,0,1|3,0,0]=4 1904 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,0,0,0,0,1|3,0,0]=4 1905 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,0,0,0,0,1|3,0,0]=4 1906 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,0,0,0,0,1|3,0,0]=4 1907 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,0,0,0,1|2,0,0]=3 1908 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,0,0,0,1|2,0,0]=3 1909 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,0,0,0,1|2,0,0]=3 1910 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,0,0,0,1|2,0,0]=3 1911 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,0,0,0,1|2,0,0]=3 1912 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,0,0,0,0,1|3,0,0]=4 1913 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,0,0,0,0,1|3,0,0]=4 1914 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,0,0,0,0,1|3,0,0]=4 1915 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,0,0,0,0,1|3,0,0]=4 1916 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,0,0,0,0,1|3,0,0]=4 1917 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,0,0,0,0,1|3,0,0]=4 1918 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,0,0,0,0,1|3,0,0]=4 1919 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,0,0,0,0,1|3,0,0]=4 1920 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,0,0,0,0,1|3,0,0]=4 1921 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,0,0,0,0,1|3,0,0]=4 1922 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100011243677_106832991635 [0,0,0,0,0,1|3,0,0]=4 1923 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100102657272_100011243677 [0,0,0,0,0,1|3,0,0]=4 1924 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100011243677_100102657272 [0,0,0,0,0,1|3,0,0]=4 1925 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100102657272_100011243677 [0,0,0,0,0,1|3,0,0]=4 1926 B12R1.27 CNC(=O)NCc1cncnc1 512a_100011243677_100102657272 [0,0,0,0,0,1|3,0,0]=4 1927 B12R1.27 CNC(=O)NCc1cncnc1 512a_106832991638_100011243677 [0,0,0,0,0,1|3,0,0]=4 1928 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,0,0,0,0,1|3,0,0]=4 1929 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,0,0,0,0,1|3,0,0]=4 1930 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,0,0,0,0,1|3,0,0]=4 1931 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,0,0,0,0,1|3,0,0]=4 1932 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,0,0,0,0,1|3,0,0]=4 1933 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,0,0,0,0,1|3,0,0]=4 1934 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,1|2,0,0]=3 1935 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,1|2,0,0]=3 1936 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,0,0,0,1|3,0,0]=4 1937 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,0,0,0,1|3,0,0]=4 1938 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,0,0,0,1|3,0,0]=4 1939 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,0,0,0,1|3,0,0]=4 1940 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,0,0,0,1|3,0,0]=4 1941 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,0,0,0,1|3,0,0]=4 1942 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,0,0,0,1|2,0,1]=4 1943 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,0,0,0,1|2,0,1]=4 1944 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,0,0,0,1|2,0,1]=4 1945 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,0,0,0,1|2,0,1]=4 1946 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,0,0,0,1|2,0,1]=4 1947 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,0,0,0,1|2,0,1]=4 1948 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,0,0,0,0,1|2,0,1]=4 1949 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,1|0,0,0]=1 1950 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,1|0,0,0]=1 1951 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,1|0,0,0]=1 1952 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,0,0,0,0,1|1,0,0]=2 1953 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,0,0,0,0,1|1,0,0]=2 1954 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,0,0,0,0,1|1,0,0]=2 1955 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,0,0,0,0,1|2,0,0]=3 1956 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,0,0,0,0,1|2,0,0]=3 1957 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,1|0,0,0]=1 1958 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,1|0,0,0]=1 1959 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,0,0,0,0,1|1,0,0]=2 1960 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,0,0,0,0,1|1,0,0]=2 1961 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,0,0,0,0,1|1,0,0]=2 1962 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,0,0,0,0,1|1,0,0]=2 1963 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,0,0,0,0,1|2,0,0]=3 1964 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,0,0,0,0,1|2,0,0]=3 1965 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,0,0,0,0,1|1,0,0]=2 1966 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,0,0,0,0,1|1,0,0]=2 1967 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,0,0,0,0,1|2,0,0]=3 1968 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,0,0,0,0,1|2,0,0]=3 1969 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000732662_100000747449 [0,0,0,0,0,1|2,0,0]=3 1970 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000747449_100000732662 [0,0,0,0,0,1|2,0,0]=3 1971 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,0,0,0,0,1|2,0,0]=3 1972 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,0,0,0,0,1|2,0,0]=3 1973 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,0,0,0,0,1|2,0,0]=3 1974 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,0,0,0,0,1|2,0,0]=3 1975 B12R1.27 COC(=O)CSc1cnnnc1 62a_100000747449_100009846058 [0,0,0,0,0,1|3,0,0]=4 1976 B12R1.27 COC(=O)CSc1cnnnc1 62a_100009846058_100000747449 [0,0,0,0,0,1|3,0,0]=4 1977 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,0,0,0,0,1|2,0,0]=3 1978 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,0,0,0,0,1|2,0,0]=3 1979 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,0,0,0,0,1|1,0,2]=4 1980 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,0,0,0,0,1|1,0,2]=4 1981 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,1|1,0,1]=3 1982 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,1|1,0,1]=3 1983 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,1|1,0,1]=3 1984 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,1|1,0,1]=3 1985 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,0,0,0,0,1|2,0,1]=4 1986 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,0,0,0,0,1|2,0,1]=4 1987 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,0,0,0,0,1|2,0,1]=4 1988 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,0,0,0,0,1|2,0,1]=4 1989 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,0,0,0,0,1|2,0,1]=4 1990 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,0,0,0,0,1|2,0,1]=4 1991 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,1|1,0,1]=3 1992 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,1|1,0,1]=3 1993 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,1|1,0,1]=3 1994 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,1|1,0,1]=3 1995 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,0,0,0,0,1|2,0,1]=4 1996 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,0,1|2,0,1]=4 1997 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,1|2,0,0]=3 1998 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,0,0,0,0,1|3,0,0]=4 1999 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,0,0,0,0,1|3,0,0]=4 2000 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,0,0,0,0,1|3,0,0]=4 2001 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,0,1|2,0,0]=3 2002 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,0,0,0,0,1|3,0,0]=4 2003 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,0,0,0,0,1|3,0,0]=4 2004 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,0,1|2,0,0]=3 2005 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,0,0,0,0,1|3,0,0]=4 2006 B12R1.27 O=C(CF)CSc1ccncc1 1458a_100000211328_100015361967 [0,0,0,0,0,1|3,0,0]=4 2007 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,1|2,0,0]=3 2008 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,0,0,0,0,1|3,0,0]=4 2009 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,0,0,0,0,1|3,0,0]=4 2010 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,0,0,0,0,1|3,0,0]=4 2011 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,0,1|2,0,0]=3 2012 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,0,1|2,0,0]=3 2013 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,0,0,0,0,1|3,0,0]=4 2014 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,0,0,0,0,1|3,0,0]=4 2015 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,0,0,0,0,1|3,0,0]=4 2016 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,0,0,0,0,1|3,0,0]=4 2017 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,0,0,0,0,1|3,0,0]=4 2018 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,0,0,0,0,1|3,0,0]=4 2019 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,0,0,0,1|3,0,0]=4 2020 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [1,0,1,0,0,0|2,0,0]=4 2021 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|2,0,0]=4 2022 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [1,0,1,0,0,0|1,0,1]=4 2023 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [1,0,1,0,0,0|2,0,0]=4 2024 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [1,0,1,0,0,0|2,0,0]=4 2025 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|1,0,1]=4 2026 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [1,0,1,0,0,0|1,0,1]=4 2027 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [1,0,1,0,0,0|1,0,1]=4 2028 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [1,0,1,0,0,0|1,0,1]=4 2029 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [1,0,1,0,0,0|2,0,0]=4 2030 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [1,0,1,0,0,0|2,0,0]=4 2031 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [1,0,1,0,0,0|2,0,0]=4 2032 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|1,0,1]=4 2033 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,1]=3 2034 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|1,0,1]=4 2035 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|1,0,1]=4 2036 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|1,0,1]=4 2037 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,1]=4 2038 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 2039 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 2040 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,1]=4 2041 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,1]=4 2042 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 2043 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 2044 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 2045 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 2046 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 2047 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 2048 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 2049 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 2050 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 2051 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 2052 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 2053 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 2054 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 2055 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 2056 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 2057 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 2058 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 2059 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 2060 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 2061 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 2062 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|0,0,0]=2 2063 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|0,0,0]=2 2064 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|0,0,0]=2 2065 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|1,0,0]=3 2066 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|1,0,0]=3 2067 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [2,0,0,0,0,0|2,0,0]=4 2068 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [2,0,0,0,0,0|2,0,0]=4 2069 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [2,0,0,0,0,0|2,0,0]=4 2070 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [2,0,0,0,0,0|2,0,0]=4 2071 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|0,1,0]=3 2072 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|0,1,0]=3 2073 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|1,1,0]=4 2074 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|1,1,0]=4 2075 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|1,1,0]=4 2076 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|1,1,0]=4 2077 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|1,1,0]=4 2078 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|1,1,0]=4 2079 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 2080 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 2081 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|0,0,0]=2 2082 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|0,0,0]=2 2083 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|0,1,0]=3 2084 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|0,1,0]=3 2085 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|1,1,0]=4 2086 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|1,1,0]=4 2087 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|1,1,0]=4 2088 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|1,1,0]=4 2089 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|1,1,0]=4 2090 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|1,1,0]=4 2091 B11R0.5 C=CC=CC(=O)CC(=O)CCC 1458a_100016291481_100000747444 [0,1,1,0,0,0|2,0,0]=4 2092 B11R0.5 C=CC=CC(=O)CC(=O)NCC 1458a_100016291481_100000183381 [0,1,1,0,0,0|2,0,0]=4 2093 B11R0.5 C=CC=CC(=O)CC(=O)NCO 1458a_100016291481_100000185155 [0,1,1,0,0,0|2,0,0]=4 2094 B11R0.5 C=CC=CC(=O)CC(=O)OC=C 1458a_100016291481_100000036128 [0,1,1,0,0,0|1,0,1]=4 2095 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,1,1,0,0,0|1,0,0]=3 2096 B11R0.73 C=CC=CC(=O)C(C)C(=O)CC 1458a_100016291481_100000742827 [0,1,1,0,0,0|2,0,0]=4 2097 B11R0.73 C=CC=CC(=O)C(C)C(=O)NC 1458a_100016291481_100000209862 [0,1,1,0,0,0|2,0,0]=4 2098 B11R0.73 C=CC=CC(=O)C(C)C(=O)OC 1458a_100016291481_100000211248 [0,1,1,0,0,0|1,0,0]=3 2099 B11R0.73 C=CC=CC(=O)C(F)C(=O)NC 1458a_100016291481_100009813575 [0,1,1,0,0,0|2,0,0]=4 2100 B11R0.154 C/C=C/C=CC(=O)CC(=O)CC 1458a_100000185730_100000747405 [0,1,1,0,0,0|2,0,0]=4 2101 B11R0.154 C/C=C/C=CC(=O)CC(=O)NC 1458a_100000185730_100000183359 [0,1,1,0,0,0|2,0,0]=4 2102 B11R0.154 C/C=C/C=CC(=O)CC(=O)OC 1458a_100000185730_100000747449 [0,1,1,0,0,0|1,0,0]=3 2103 B11R0.163 C=CC=CC(=O)CC(=O)C(=O)C 1458a_100016291481_100011261029 [0,1,1,0,0,0|2,0,0]=4 2104 B11R0.163 C=CC=CC(=O)CC(=O)C(C)C 1458a_100016291481_100000753385 [0,1,1,0,0,0|2,0,0]=4 2105 B11R0.163 C=CC=CC(=O)CC(=O)N(C)C 1458a_100016291481_100000185267 [0,1,1,0,0,0|2,0,0]=4 2106 B11R0.279 C=CCN(CC=C)CC(=O)OC 2230a_100000210471_100000747449 [0,1,1,0,0,0|1,0,1]=4 2107 B11R0.279 C=CCN(CC=C)CC(=O)OC 269982a_100000210471_100000747449 [0,1,1,0,0,0|1,0,1]=4 2108 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,1,1,0,0,0|0,0,2]=4 2109 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,1]=4 2110 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,1]=4 2111 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,1]=4 2112 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,1]=4 2113 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,1]=4 2114 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,1]=4 2115 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,1]=4 2116 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2145 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2150 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2151 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 2152 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2156 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 2158 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 2159 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 2160 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 2162 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 2163 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 2167 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 2168 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|1,0,1]=4 2169 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|1,0,1]=4 2170 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|1,0,1]=4 2171 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|1,0,1]=4 2172 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|1,0,1]=4 2173 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|1,0,1]=4 2174 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|1,0,1]=4 2175 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|1,0,1]=4 2176 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|1,0,1]=4 2177 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|1,0,1]=4 2178 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|1,0,1]=4 2179 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|1,0,1]=4 2180 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|1,0,1]=4 2181 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|1,0,1]=4 2182 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|1,0,1]=4 2183 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|1,0,1]=4 2184 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|1,0,1]=4 2185 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|1,0,1]=4 2186 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|1,0,1]=4 2187 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|1,0,1]=4 2188 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|1,0,1]=4 2189 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|1,0,1]=4 2190 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,1]=4 2191 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|1,0,1]=4 2192 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|0,0,1]=3 2193 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|0,0,1]=3 2194 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|0,0,1]=3 2195 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|0,0,1]=3 2196 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|0,0,1]=3 2197 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|0,0,1]=3 2198 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|0,0,1]=3 2199 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|0,0,1]=3 2200 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|0,0,1]=3 2201 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|0,0,1]=3 2202 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|0,0,1]=3 2203 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|0,0,1]=3 2204 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|0,0,1]=3 2205 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|0,0,1]=3 2206 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|0,0,1]=3 2207 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|0,0,1]=3 2208 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|0,0,1]=3 2209 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|1,0,1]=4 2210 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|1,0,1]=4 2211 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2212 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2213 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|1,0,1]=4 2214 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|1,0,1]=4 2215 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|1,0,1]=4 2216 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|1,0,1]=4 2217 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|1,0,1]=4 2218 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|1,0,1]=4 2219 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|1,0,1]=4 2220 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|1,0,1]=4 2221 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|1,0,1]=4 2222 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|1,0,1]=4 2223 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|1,0,1]=4 2224 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|1,0,1]=4 2225 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|1,0,1]=4 2226 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|1,0,1]=4 2227 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|0,1,1]=4 2228 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|0,1,1]=4 2229 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|0,1,1]=4 2230 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|0,1,1]=4 2231 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|0,1,1]=4 2232 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|0,1,1]=4 2233 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|0,1,1]=4 2234 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|0,1,1]=4 2235 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|0,1,1]=4 2236 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|0,1,1]=4 2237 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|1,0,1]=4 2238 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|1,0,1]=4 2239 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|0,0,1]=3 2240 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|0,0,1]=3 2241 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|0,1,1]=4 2242 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|0,1,1]=4 2243 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|1,0,1]=4 2244 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|1,0,1]=4 2245 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|1,0,1]=4 2246 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|1,0,1]=4 2247 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|1,0,1]=4 2248 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|1,0,1]=4 2249 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|1,0,1]=4 2250 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,1]=4 2251 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|0,0,1]=3 2252 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|0,0,1]=3 2253 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|0,0,1]=3 2254 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|0,0,1]=3 2255 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|0,0,1]=3 2256 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|0,0,1]=3 2257 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|0,0,1]=3 2258 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|0,0,1]=3 2259 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|0,0,1]=3 2260 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|1,0,1]=4 2261 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2262 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2263 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|0,1,1]=4 2264 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|0,1,1]=4 2265 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|0,1,1]=4 2266 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|0,1,1]=4 2267 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|0,1,1]=4 2268 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|0,1,1]=4 2269 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|0,1,1]=4 2270 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|0,1,1]=4 2271 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|1,0,1]=4 2272 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|1,0,1]=4 2273 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|0,0,1]=3 2274 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|0,0,1]=3 2275 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|0,1,1]=4 2276 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|0,1,1]=4 2277 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|2,0,0]=4 2284 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|2,0,0]=4 2285 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|1,0,1]=4 2286 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|1,0,1]=4 2287 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|1,0,1]=4 2288 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|1,0,1]=4 2289 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|1,0,1]=4 2290 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|1,0,1]=4 2291 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|1,0,1]=4 2292 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|1,0,1]=4 2293 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|1,0,1]=4 2294 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|1,0,1]=4 2295 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|1,0,1]=4 2296 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|1,0,1]=4 2297 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|1,0,1]=4 2298 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|0,0,1]=3 2299 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|0,0,1]=3 2300 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|0,0,1]=3 2301 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|0,0,1]=3 2302 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|1,0,1]=4 2303 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|1,0,1]=4 2304 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|0,0,1]=3 2305 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|1,0,1]=4 2306 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|0,0,1]=3 2307 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|0,1,1]=4 2308 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|0,1,1]=4 2309 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|0,1,1]=4 2310 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|0,1,1]=4 2311 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|0,1,1]=4 2312 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|0,1,1]=4 2313 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|0,0,1]=3 2315 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|1,0,1]=4 2316 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|0,1,1]=4 2317 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|0,1,1]=4 2318 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|0,1,1]=4 2319 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|0,1,1]=4 2320 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,1]=4 2321 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,1]=4 2322 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,1]=4 2323 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,1]=4 2324 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,1]=4 2325 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,1]=4 2326 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2334 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|2,0,0]=4 2376 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|1,0,1]=4 2377 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|1,0,1]=4 2378 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|1,0,1]=4 2379 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|1,0,1]=4 2381 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|1,0,1]=4 2382 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|1,0,1]=4 2383 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|1,0,1]=4 2384 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|1,0,1]=4 2385 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|1,0,1]=4 2386 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|1,0,1]=4 2387 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|1,0,1]=4 2388 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|1,0,1]=4 2389 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|1,0,1]=4 2390 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|1,0,1]=4 2391 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|1,0,1]=4 2392 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2393 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|1,0,1]=4 2394 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2395 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|1,0,1]=4 2396 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|1,0,1]=4 2399 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|1,0,1]=4 2400 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|0,0,1]=3 2401 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|0,0,1]=3 2402 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|0,0,1]=3 2403 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|0,0,1]=3 2404 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|0,0,1]=3 2405 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|0,0,1]=3 2406 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|0,0,1]=3 2407 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|0,0,1]=3 2408 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|0,0,1]=3 2409 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|0,0,1]=3 2410 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|0,0,1]=3 2411 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|0,0,1]=3 2412 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|0,0,1]=3 2413 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|0,0,1]=3 2414 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|0,0,1]=3 2415 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|0,0,1]=3 2416 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|1,0,1]=4 2417 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|1,0,1]=4 2418 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|1,0,1]=4 2419 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [1,1,0,0,0,0|1,0,1]=4 2420 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [1,1,0,0,0,0|1,0,1]=4 2421 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [1,1,0,0,0,0|1,0,1]=4 2422 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [1,1,0,0,0,0|1,0,1]=4 2423 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [1,1,0,0,0,0|1,0,1]=4 2424 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [1,1,0,0,0,0|1,0,1]=4 2425 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [1,1,0,0,0,0|1,0,1]=4 2427 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [1,1,0,0,0,0|1,0,1]=4 2428 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [1,1,0,0,0,0|1,0,1]=4 2429 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|1,0,1]=4 2430 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|1,0,1]=4 2431 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|0,1,1]=4 2432 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|0,1,1]=4 2433 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|0,1,1]=4 2434 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|0,1,1]=4 2435 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|0,1,1]=4 2436 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|0,1,1]=4 2437 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|0,1,1]=4 2438 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|0,1,1]=4 2439 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|0,1,1]=4 2440 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|0,1,1]=4 2441 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|1,0,1]=4 2442 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|1,0,1]=4 2443 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|0,0,1]=3 2444 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|0,0,1]=3 2445 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|0,1,1]=4 2446 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|0,1,1]=4 2447 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|1,0,1]=4 2448 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|1,0,1]=4 2449 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|1,0,1]=4 2450 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|1,0,1]=4 2451 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|1,0,1]=4 2452 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|1,0,1]=4 2453 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2454 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2455 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|1,0,1]=4 2456 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|0,0,1]=3 2457 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|0,0,1]=3 2458 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|0,0,1]=3 2459 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|0,0,1]=3 2460 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|0,0,1]=3 2461 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|0,0,1]=3 2462 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|0,0,1]=3 2463 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|0,0,1]=3 2464 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|0,0,1]=3 2465 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|0,1,1]=4 2466 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|0,1,1]=4 2467 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|0,1,1]=4 2468 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|0,1,1]=4 2469 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|0,1,1]=4 2470 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|0,1,1]=4 2471 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|0,1,1]=4 2472 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|0,1,1]=4 2473 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,1]=4 2474 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,1]=4 2475 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,1]=4 2476 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,1]=4 2477 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,1]=4 2478 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,1]=4 2479 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,1]=4 2480 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,1]=4 2481 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2483 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 2484 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 2485 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2486 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 2487 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2488 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 2489 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 2490 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2491 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 2492 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2493 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 2494 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 2495 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2496 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 2497 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 2498 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 2499 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 2502 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2503 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 2504 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 2505 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2506 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2508 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 2509 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 2510 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 2511 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2512 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2513 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2515 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 2516 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 2517 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 2518 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2519 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 2520 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2521 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2522 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 2523 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2524 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2525 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 2526 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2527 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 2528 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 2529 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 2530 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 2531 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 2532 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 2533 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 2536 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 2537 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 2538 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 2539 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 2540 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 2541 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 2542 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|1,0,1]=4 2543 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|1,0,1]=4 2544 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|1,0,1]=4 2545 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|1,0,1]=4 2546 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|1,0,1]=4 2547 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|1,0,1]=4 2548 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|1,0,1]=4 2549 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|1,0,1]=4 2550 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|1,0,1]=4 2551 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|1,0,1]=4 2552 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|1,0,1]=4 2553 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|1,0,1]=4 2554 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|1,0,1]=4 2555 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|1,0,1]=4 2556 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|1,0,1]=4 2557 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|1,0,1]=4 2558 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|1,0,1]=4 2559 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|1,0,1]=4 2560 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|1,0,1]=4 2561 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|1,0,1]=4 2562 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|1,0,1]=4 2563 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|1,0,1]=4 2564 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|0,0,1]=3 2565 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|0,0,1]=3 2566 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|0,0,1]=3 2567 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|0,0,1]=3 2568 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|0,0,1]=3 2569 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|0,0,1]=3 2570 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|0,0,1]=3 2571 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|0,0,1]=3 2572 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|0,0,1]=3 2573 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|0,0,1]=3 2574 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|0,0,1]=3 2575 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|0,0,1]=3 2576 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|0,0,1]=3 2577 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|1,0,1]=4 2578 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|1,0,1]=4 2579 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,1,0,0,0,0|1,0,1]=4 2580 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|1,0,1]=4 2581 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,1,0,0,0,0|1,0,1]=4 2582 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,1,0,0,0,0|1,0,1]=4 2583 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,1,0,0,0,0|1,0,1]=4 2584 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,1,0,0,0,0|1,0,1]=4 2585 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,1,0,0,0,0|1,0,1]=4 2586 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,1,0,0,0,0|1,0,1]=4 2587 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,1,0,0,0,0|1,0,1]=4 2588 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,1,0,0,0,0|1,0,1]=4 2589 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,1,0,0,0,0|1,0,1]=4 2590 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,1,0,0,0,0|1,0,1]=4 2591 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,1,0,0,0,0|1,0,1]=4 2592 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,1,0,0,0,0|1,0,1]=4 2593 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,1,0,0,0,0|1,0,1]=4 2594 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|0,1,1]=4 2595 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|0,1,1]=4 2596 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|0,1,1]=4 2597 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|0,1,1]=4 2598 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|0,1,1]=4 2599 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|0,1,1]=4 2600 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|0,1,1]=4 2601 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|0,1,1]=4 2602 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|1,0,1]=4 2603 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|1,0,1]=4 2604 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|0,0,1]=3 2605 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|0,0,1]=3 2606 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|0,1,1]=4 2607 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|0,1,1]=4 2608 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|1,0,1]=4 2609 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|1,0,1]=4 2610 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|1,0,1]=4 2611 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|1,0,1]=4 2612 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|1,0,1]=4 2613 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|1,0,1]=4 2614 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|1,0,1]=4 2615 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|1,0,1]=4 2616 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|0,0,1]=3 2617 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|0,0,1]=3 2618 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|0,0,1]=3 2619 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|0,0,1]=3 2620 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|0,0,1]=3 2621 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|0,0,1]=3 2622 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|0,0,1]=3 2623 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|1,0,1]=4 2624 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|1,0,1]=4 2625 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|0,1,1]=4 2626 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|0,1,1]=4 2627 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|0,1,1]=4 2628 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|0,1,1]=4 2629 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|0,1,1]=4 2630 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|0,1,1]=4 2631 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 2632 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|1,0,0]=3 2633 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,0]=3 2634 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,0]=3 2635 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,0,0]=3 2639 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,0,0]=3 2640 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [1,1,0,0,0,0|2,0,0]=4 2643 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [1,1,0,0,0,0|2,0,0]=4 2644 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [1,1,0,0,0,0|2,0,0]=4 2645 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [1,1,0,0,0,0|2,0,0]=4 2646 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [1,1,0,0,0,0|1,0,1]=4 2647 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 2648 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 2649 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [1,1,0,0,0,0|1,0,1]=4 2650 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [1,1,0,0,0,0|1,0,1]=4 2651 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|1,0,0]=3 2652 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,0]=3 2653 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,0]=3 2654 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,0,0]=3 2658 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,0,0]=3 2659 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [1,1,0,0,0,0|2,0,0]=4 2662 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [1,1,0,0,0,0|2,0,0]=4 2663 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 2668 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,1]=4 2669 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,1]=4 2670 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,1]=4 2671 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,1]=4 2672 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,1]=4 2673 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,1]=4 2674 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,1]=4 2675 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,1]=4 2676 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,1]=4 2677 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,1]=4 2678 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,1]=4 2679 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,1]=4 2680 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,0,1]=4 2681 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,0,1]=4 2682 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|1,0,1]=4 2683 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|1,0,1]=4 2684 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|1,0,1]=4 2685 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,1,0,0,0,0|0,0,1]=3 2687 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [1,1,0,0,0,0|1,0,1]=4 2688 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [1,1,0,0,0,0|1,0,1]=4 2689 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [1,1,0,0,0,0|1,0,1]=4 2690 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|0,0,1]=3 2691 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|0,0,1]=3 2692 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|0,0,1]=3 2693 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|1,0,1]=4 2694 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|1,0,1]=4 2695 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|1,0,1]=4 2696 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|1,0,1]=4 2697 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|1,0,1]=4 2698 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|0,1,1]=4 2699 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|0,1,1]=4 2700 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|1,0,1]=4 2703 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|1,0,1]=4 2704 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|1,0,1]=4 2705 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|1,0,1]=4 2706 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|1,0,1]=4 2707 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|1,0,1]=4 2708 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|1,0,1]=4 2709 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|1,0,1]=4 2710 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|1,0,1]=4 2711 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|1,0,1]=4 2712 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|1,0,1]=4 2713 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|1,0,1]=4 2714 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|1,0,1]=4 2715 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|1,0,1]=4 2716 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|1,0,1]=4 2717 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|1,0,1]=4 2718 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|1,0,1]=4 2719 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|1,0,1]=4 2720 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|1,0,1]=4 2721 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|1,0,1]=4 2723 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|1,0,1]=4 2724 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|1,0,1]=4 2725 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|1,0,1]=4 2726 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|1,0,1]=4 2727 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|0,0,1]=3 2728 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|0,0,1]=3 2729 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|0,0,2]=4 2731 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|0,0,2]=4 2732 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|0,0,2]=4 2733 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|0,0,1]=3 2734 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,1,0,0,0,0|1,0,1]=4 2735 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [1,1,0,0,0,0|1,0,1]=4 2736 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [1,1,0,0,0,0|1,0,1]=4 2737 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|0,0,1]=3 2738 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|0,0,1]=3 2739 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|0,0,1]=3 2740 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|1,0,1]=4 2741 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|1,0,1]=4 2742 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|1,0,1]=4 2743 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|0,0,1]=3 2744 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|0,0,1]=3 2745 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|1,0,1]=4 2746 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|0,0,1]=3 2747 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|0,0,1]=3 2748 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|0,0,1]=3 2749 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|0,0,1]=3 2750 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|0,0,1]=3 2751 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|1,0,1]=4 2752 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|1,0,1]=4 2753 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|1,0,1]=4 2754 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|0,0,1]=3 2755 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|0,0,1]=3 2756 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|0,0,1]=3 2757 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|0,0,1]=3 2758 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|1,0,1]=4 2759 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|1,0,1]=4 2760 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|1,0,1]=4 2761 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|1,0,1]=4 2762 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|1,0,1]=4 2763 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|1,0,1]=4 2764 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|1,0,1]=4 2765 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|0,0,1]=3 2766 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|0,0,1]=3 2767 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|0,0,1]=3 2768 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|0,0,1]=3 2769 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|0,0,1]=3 2770 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,1,0,0,0,0|1,0,1]=4 2771 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,1,0,0,0,0|1,0,1]=4 2772 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,1,0,0,0,0|1,0,1]=4 2773 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,1,0,0,0,0|1,0,1]=4 2774 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,1,0,0,0,0|1,0,1]=4 2775 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,1,0,0,0,0|1,0,1]=4 2776 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|0,1,1]=4 2777 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|0,1,1]=4 2778 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|0,1,1]=4 2779 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|0,1,1]=4 2780 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|0,1,1]=4 2781 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|0,1,1]=4 2782 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|0,1,1]=4 2783 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|0,1,1]=4 2784 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|0,1,1]=4 2785 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|0,1,1]=4 2786 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|0,1,1]=4 2787 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|0,1,1]=4 2788 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|0,1,1]=4 2789 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|0,1,1]=4 2790 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|0,1,1]=4 2791 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|0,1,1]=4 2792 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|0,1,1]=4 2793 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|0,1,1]=4 2794 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|0,1,1]=4 2795 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|0,1,1]=4 2796 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|0,1,1]=4 2797 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|0,1,1]=4 2798 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 2799 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|2,0,0]=4 2800 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 2801 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 2802 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 2803 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|2,0,0]=4 2804 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|2,0,0]=4 2805 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|1,0,1]=4 2806 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|0,0,1]=3 2807 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|0,0,1]=3 2808 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|1,0,1]=4 2809 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|1,0,1]=4 2810 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|1,0,1]=4 2811 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|0,1,1]=4 2812 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|0,1,1]=4 2813 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|2,0,0]=4 2814 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 2815 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 2816 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|2,0,0]=4 2817 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 2818 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 2819 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|2,0,0]=4 2820 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 2821 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 2822 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|1,0,1]=4 2825 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|1,0,1]=4 2826 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|1,0,1]=4 2827 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|1,0,1]=4 2828 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|1,0,1]=4 2829 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|1,0,1]=4 2830 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|1,0,1]=4 2831 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|0,0,1]=3 2832 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [1,1,0,0,0,0|1,0,1]=4 2833 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|0,0,2]=4 2834 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|0,0,2]=4 2835 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|0,0,1]=3 2836 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|0,0,1]=3 2837 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|1,0,1]=4 2838 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|1,0,1]=4 2839 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|1,0,1]=4 2840 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|0,0,1]=3 2841 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|1,0,1]=4 2842 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|0,0,1]=3 2843 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|0,0,1]=3 2844 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|0,0,1]=3 2845 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|1,0,1]=4 2846 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|0,1,1]=4 2847 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|0,1,1]=4 2848 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|0,1,1]=4 2849 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|0,1,1]=4 2850 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|0,1,1]=4 2851 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|0,1,1]=4 2852 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|0,1,1]=4 2853 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|0,1,1]=4 2854 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|0,1,1]=4 2855 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|0,1,1]=4 2856 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|0,1,1]=4 2857 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|0,1,1]=4 2858 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,1,0,0,0,0|1,0,1]=4 2859 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|1,0,1]=4 2860 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|1,0,1]=4 2861 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 2862 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,1,0,0,0,0|1,0,1]=4 2866 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 2867 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 2869 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 2870 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 2871 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 2872 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 2873 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 2874 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 2875 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 2876 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,1,0,0,0,0|1,0,1]=4 2877 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|1,0,1]=4 2878 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|1,0,1]=4 2879 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|1,0,1]=4 2880 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|1,0,1]=4 2881 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|1,0,1]=4 2882 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|1,0,1]=4 2883 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,1,0,0,0,0|1,0,1]=4 2884 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|1,0,1]=4 2885 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,1,0,0,0,0|1,0,1]=4 2886 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|1,0,1]=4 2887 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,0|1,0,1]=4 2888 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,1,0,0,0,0|1,0,1]=4 2889 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,1,0,0,0,0|1,0,1]=4 2890 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|1,0,1]=4 2891 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|0,0,0]=2 2892 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|0,0,0]=2 2893 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|0,0,0]=2 2894 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|0,0,0]=2 2895 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|0,0,0]=2 2896 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|0,0,0]=2 2897 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|0,0,0]=2 2898 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|0,0,0]=2 2899 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|0,0,0]=2 2900 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|0,0,0]=2 2901 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|0,0,0]=2 2902 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|0,0,0]=2 2903 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,1,0,0,0,0|1,0,0]=3 2904 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,1,0,0,0,0|1,0,0]=3 2905 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|1,0,0]=3 2906 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|1,0,0]=3 2907 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,1,0,0,0,0|1,0,0]=3 2908 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,1,0,0,0,0|1,0,0]=3 2909 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,1,0,0,0,0|1,0,0]=3 2910 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,1,0,0,0,0|1,0,0]=3 2911 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2912 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|1,0,0]=3 2913 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|1,0,0]=3 2914 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,1,0,0,0,0|1,0,0]=3 2915 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,1,0,0,0,0|1,0,0]=3 2916 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,1,0,0,0,0|1,0,0]=3 2917 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,1,0,0,0,0|1,0,0]=3 2922 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,0|1,0,0]=3 2923 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,0|1,0,0]=3 2924 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,0|1,0,0]=3 2925 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,0|1,0,0]=3 2926 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|1,0,0]=3 2927 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|1,0,0]=3 2928 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|1,0,0]=3 2929 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|1,0,0]=3 2930 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|1,0,0]=3 2931 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|1,0,0]=3 2932 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|1,0,0]=3 2933 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|1,0,0]=3 2934 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,0|1,0,0]=3 2935 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,0|1,0,0]=3 2936 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,0|1,0,0]=3 2937 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,0|1,0,0]=3 2938 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,0|1,0,0]=3 2939 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,0|1,0,0]=3 2940 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,0|1,0,0]=3 2941 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,0|1,0,0]=3 2942 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|1,0,0]=3 2943 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|1,0,0]=3 2944 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,1,0,0,0,0|2,0,0]=4 2945 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|1,0,0]=3 2947 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|1,0,0]=3 2948 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,0|1,1,0]=4 2949 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|1,0,1]=4 2950 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 2952 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,1,0,0,0,0|2,0,0]=4 2960 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 2961 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 2963 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 2964 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 2965 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,1,0,0,0,0|2,0,0]=4 2966 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 2967 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 2968 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 2969 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 2970 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 2971 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|2,0,0]=4 2972 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2973 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2974 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 2975 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 2976 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 2977 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 2978 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 2979 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 2980 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2981 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2982 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|0,0,0]=2 2983 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2984 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 2985 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2986 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 2987 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|2,0,0]=4 2988 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2989 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2990 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2991 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2992 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|1,0,0]=3 2993 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|1,0,0]=3 2994 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,0]=3 2995 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,1,0,0,0,0|2,0,0]=4 2996 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,1,0,0,0,0|2,0,0]=4 2997 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|2,0,0]=4 2998 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|0,0,0]=2 2999 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|0,0,0]=2 3000 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|0,0,0]=2 3001 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|0,0,0]=2 3002 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|0,0,0]=2 3003 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,1,0,0,0,0|1,0,0]=3 3004 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,1,0,0,0,0|1,0,0]=3 3005 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,1,0,0,0,0|1,0,0]=3 3006 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,1,0,0,0,0|1,0,0]=3 3007 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,1,0,0,0,0|1,0,0]=3 3008 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|0,0,1]=3 3009 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|0,0,1]=3 3010 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|1,0,1]=4 3011 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|0,0,0]=2 3012 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|1,0,0]=3 3013 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [1,1,0,0,0,0|2,0,0]=4 3014 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|0,0,0]=2 3015 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 3016 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 3017 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|1,0,0]=3 3018 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|0,0,0]=2 3019 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|0,0,0]=2 3020 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|1,0,0]=3 3021 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 3022 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 3023 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 3024 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 3025 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 3026 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 3027 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|0,0,0]=2 3028 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|0,0,0]=2 3029 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|0,0,0]=2 3030 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [1,1,0,0,0,0|1,0,1]=4 3031 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [1,1,0,0,0,0|1,0,1]=4 3032 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,1,0,0,0,0|1,0,1]=4 3033 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [1,1,0,0,0,0|1,0,1]=4 3034 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,1,0,0,0,0|1,0,1]=4 3035 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,1,0,0,0,0|1,0,1]=4 3036 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|0,0,0]=2 3037 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|0,0,0]=2 3038 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|0,0,0]=2 3039 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|0,0,0]=2 3040 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|0,0,0]=2 3041 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|0,0,0]=2 3042 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|0,0,0]=2 3043 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|0,0,0]=2 3044 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|0,0,0]=2 3045 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|0,0,0]=2 3046 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|0,0,0]=2 3047 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|0,0,0]=2 3048 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [1,1,0,0,0,0|1,0,0]=3 3049 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,1,0,0,0,0|1,0,0]=3 3050 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,1,0,0,0,0|1,0,0]=3 3051 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3052 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [1,1,0,0,0,0|1,0,0]=3 3053 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,1,0,0,0,0|1,0,0]=3 3054 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,1,0,0,0,0|1,0,0]=3 3055 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,1,0,0,0,0|1,0,0]=3 3056 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [1,1,0,0,0,0|1,0,0]=3 3057 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [1,1,0,0,0,0|1,0,0]=3 3058 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,1,0,0,0,0|1,0,0]=3 3059 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,1,0,0,0,0|1,0,0]=3 3060 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,1,0,0,0,0|1,0,0]=3 3061 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,1,0,0,0,0|1,0,0]=3 3062 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [1,1,0,0,0,0|1,0,0]=3 3063 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,1,0,0,0,0|1,0,0]=3 3064 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [1,1,0,0,0,0|1,0,0]=3 3065 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,1,0,0,0,0|1,0,0]=3 3068 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,1,0,0,0,0|1,0,0]=3 3069 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,1,0,0,0,0|1,0,0]=3 3070 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,1,0,0,0,0|1,0,0]=3 3071 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,1,0,0,0,0|1,0,0]=3 3072 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,1,0,0,0,0|1,0,0]=3 3073 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,0|1,0,0]=3 3074 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,0|1,0,0]=3 3075 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,0|1,0,0]=3 3076 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,0|1,0,0]=3 3077 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,1,0,0,0,0|1,0,0]=3 3078 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,1,0,0,0,0|1,0,0]=3 3079 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,1,0,0,0,0|1,0,0]=3 3080 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,1,0,0,0,0|1,0,0]=3 3081 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,1,0,0,0,0|1,0,0]=3 3082 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,1,0,0,0,0|1,0,0]=3 3083 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,1,0,0,0,0|1,0,0]=3 3084 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,1,0,0,0,0|1,0,0]=3 3085 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,1,0,0,0,0|1,0,0]=3 3086 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [1,1,0,0,0,0|2,0,0]=4 3087 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,1,0,0,0,0|1,0,0]=3 3088 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [1,1,0,0,0,0|2,0,0]=4 3089 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [1,1,0,0,0,0|2,0,0]=4 3090 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [1,1,0,0,0,0|2,0,0]=4 3091 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [1,1,0,0,0,0|2,0,0]=4 3092 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [1,1,0,0,0,0|2,0,0]=4 3093 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3095 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [1,1,0,0,0,0|2,0,0]=4 3096 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [1,1,0,0,0,0|2,0,0]=4 3099 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 3100 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [1,1,0,0,0,0|2,0,0]=4 3101 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [1,1,0,0,0,0|2,0,0]=4 3103 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [1,1,0,0,0,0|2,0,0]=4 3104 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 3109 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [1,1,0,0,0,0|2,0,0]=4 3113 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3114 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3115 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|0,0,0]=2 3121 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 3125 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,1,0,0,0,0|2,0,0]=4 3126 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3127 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3128 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,1,0,0,0,0|1,0,0]=3 3129 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,0]=3 3130 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|0,0,0]=2 3132 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|0,0,0]=2 3133 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|0,0,0]=2 3134 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|0,0,0]=2 3135 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|0,0,0]=2 3136 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [1,1,0,0,0,0|1,0,0]=3 3138 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,1,0,0,0,0|1,0,0]=3 3139 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [1,1,0,0,0,0|1,0,0]=3 3140 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [1,1,0,0,0,0|1,0,1]=4 3143 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [1,1,0,0,0,0|1,0,1]=4 3144 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [1,1,0,0,0,0|1,0,1]=4 3145 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [1,1,0,0,0,0|1,0,1]=4 3146 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [1,1,0,0,0,0|1,0,1]=4 3147 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,1,0,0,0,0|1,0,1]=4 3148 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [1,1,0,0,0,0|1,0,1]=4 3149 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,1,0,0,0,0|1,0,0]=3 3150 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,1,0,0,0,0|1,0,0]=3 3151 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,1,0,0,0,0|1,0,0]=3 3152 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|0,0,0]=2 3153 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|0,0,0]=2 3154 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|0,0,0]=2 3155 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|0,0,0]=2 3156 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|0,0,0]=2 3157 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|0,0,0]=2 3158 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|0,0,0]=2 3159 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|0,0,0]=2 3160 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|0,0,0]=2 3161 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|0,0,0]=2 3162 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|0,0,0]=2 3163 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|0,0,0]=2 3164 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|0,0,0]=2 3165 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,1,0,0,0,0|1,0,0]=3 3166 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,1,0,0,0,0|1,0,0]=3 3167 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,1,0,0,0,0|1,0,0]=3 3168 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,1,0,0,0,0|1,0,0]=3 3169 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,1,0,0,0,0|1,0,0]=3 3170 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,1,0,0,0,0|1,0,0]=3 3171 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,1,0,0,0,0|1,0,0]=3 3172 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,1,0,0,0,0|1,0,0]=3 3173 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,1,0,0,0,0|1,0,0]=3 3174 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,1,0,0,0,0|1,0,0]=3 3175 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,1,0,0,0,0|1,0,0]=3 3176 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,1,0,0,0,0|1,0,0]=3 3177 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,1,0,0,0,0|1,0,0]=3 3179 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,1,0,0,0,0|1,0,0]=3 3180 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,1,0,0,0,0|1,0,0]=3 3181 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,1,0,0,0,0|1,0,0]=3 3182 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,1,0,0,0,0|1,0,0]=3 3183 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,1,0,0,0,0|1,0,0]=3 3184 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,1,0,0,0,0|1,0,0]=3 3186 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,1,0,0,0,0|1,0,0]=3 3187 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,1,0,0,0,0|1,0,0]=3 3188 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,1,0,0,0,0|1,0,0]=3 3189 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,1,0,0,0,0|1,0,0]=3 3190 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,1,0,0,0,0|1,0,0]=3 3191 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,1,0,0,0,0|1,0,0]=3 3192 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,1,0,0,0,0|1,0,0]=3 3193 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,1,0,0,0,0|1,0,0]=3 3194 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,1,0,0,0,0|1,0,0]=3 3195 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,1,0,0,0,0|1,0,0]=3 3196 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,1,0,0,0,0|1,0,0]=3 3197 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,1,0,0,0,0|1,0,0]=3 3198 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,1,0,0,0,0|1,0,0]=3 3199 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,1,0,0,0,0|1,0,0]=3 3200 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,1,0,0,0,0|1,0,0]=3 3201 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,1,0,0,0,0|1,0,0]=3 3202 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,1,0,0,0,0|1,0,0]=3 3203 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,1,0,0,0,0|1,0,0]=3 3204 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,1,0,0,0,0|1,0,0]=3 3205 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,1,0,0,0,0|1,0,0]=3 3206 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,1,0,0,0,0|1,0,0]=3 3207 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,1,0,0,0,0|1,0,0]=3 3208 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,1,0,0,0,0|2,0,0]=4 3211 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,1,0,0,0,0|1,0,0]=3 3212 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,1,0,0,0,0|1,0,1]=4 3213 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [1,1,0,0,0,0|2,0,0]=4 3217 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [1,1,0,0,0,0|2,0,0]=4 3218 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [1,1,0,0,0,0|2,0,0]=4 3219 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [1,1,0,0,0,0|2,0,0]=4 3220 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [1,1,0,0,0,0|2,0,0]=4 3221 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [1,1,0,0,0,0|2,0,0]=4 3222 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [1,1,0,0,0,0|2,0,0]=4 3223 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3224 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [1,1,0,0,0,0|2,0,0]=4 3225 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3226 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [1,1,0,0,0,0|2,0,0]=4 3227 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3239 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3246 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3247 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|0,0,0]=2 3248 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3250 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [1,1,0,0,0,0|2,0,0]=4 3251 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3254 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,1,0,0,0,0|1,0,0]=3 3258 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,0]=3 3259 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|0,0,0]=2 3261 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|0,0,0]=2 3262 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|0,0,0]=2 3263 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|0,0,0]=2 3264 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|0,0,0]=2 3265 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,1,0,0,0,0|1,0,0]=3 3266 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,1,0,0,0,0|1,0,0]=3 3267 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,1,0,0,0,0|1,0,0]=3 3268 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,1,0,0,0,0|1,0,0]=3 3269 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,1,0,0,0,0|1,0,0]=3 3270 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,1,0,0,0,0|1,0,0]=3 3271 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,1,0|1,0,1]=4 3272 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,1,0,0,1,0|2,0,0]=4 3273 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,1,0,0,1,0|2,0,0]=4 3274 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,1,0,0,1,0|2,0,0]=4 3275 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,1,0|1,0,1]=4 3276 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,1,0|1,0,1]=4 3277 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,1,0|1,0,1]=4 3278 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,1,0|1,0,1]=4 3279 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,1,0|1,0,1]=4 3280 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,1,0|1,0,1]=4 3281 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,1,0|1,0,1]=4 3282 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,1,0|1,0,1]=4 3283 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,1,0|1,0,1]=4 3284 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,1,0|1,0,1]=4 3285 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,1,0|1,0,1]=4 3286 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,1,0|1,0,1]=4 3287 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,1,0|1,0,1]=4 3288 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,1,0|1,0,1]=4 3289 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,1,0|1,0,1]=4 3290 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,1,0|1,0,1]=4 3291 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,1,0|1,0,1]=4 3292 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,1,0|1,0,1]=4 3293 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,1,0|1,0,1]=4 3294 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,1,0|1,0,1]=4 3295 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,1,0|1,0,1]=4 3296 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,1,0|1,0,1]=4 3297 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,1,0|1,0,1]=4 3298 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,1,0|1,0,1]=4 3299 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,1,0|1,0,1]=4 3300 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,1,0|1,0,1]=4 3301 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,1,0|1,0,1]=4 3302 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,1,0|1,0,1]=4 3303 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,1,0|1,0,0]=3 3304 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,1,0|1,0,0]=3 3305 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,1,0|1,0,0]=3 3306 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,1,0|1,0,0]=3 3307 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,1,0|1,0,0]=3 3308 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,1,0|1,0,0]=3 3309 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,1,0|1,0,0]=3 3310 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,1,0|2,0,0]=4 3311 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,1,0|1,0,0]=3 3312 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,1,0|1,0,0]=3 3313 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,1,0|1,0,0]=3 3314 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,1,0|1,0,0]=3 3315 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,1,0|1,0,0]=3 3316 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,1,0|1,0,0]=3 3317 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,1,0|1,0,0]=3 3318 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,1,0|1,0,0]=3 3319 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,1,0|1,0,0]=3 3320 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,1,0|1,0,0]=3 3321 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,1,0|1,0,0]=3 3322 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,1,0|1,0,0]=3 3323 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,1,0|1,0,0]=3 3324 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,1,0|1,0,0]=3 3325 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,1,0|1,0,0]=3 3326 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,1,0|1,0,0]=3 3327 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,1,0|1,0,0]=3 3328 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,1,0|1,0,0]=3 3329 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,1,0|1,0,0]=3 3330 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,1,0|1,0,0]=3 3331 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,1,0|1,0,0]=3 3332 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,1,0|1,0,0]=3 3333 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,1,0|1,0,0]=3 3334 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,1,0|2,0,0]=4 3335 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,1,0|2,0,0]=4 3336 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,1,0|0,0,0]=2 3337 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,1,0|1,0,0]=3 3338 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,1,0|1,0,0]=3 3339 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,1,0|2,0,0]=4 3340 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,1,0|2,0,0]=4 3341 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,1,0|2,0,0]=4 3342 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,1,0|2,0,0]=4 3343 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,1,0|1,0,1]=4 3344 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,1,0|1,0,1]=4 3345 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,1,0|1,0,1]=4 3346 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,1,0|1,0,1]=4 3347 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,1,0|1,0,1]=4 3348 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,1,0|1,0,1]=4 3349 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,1,0|1,0,1]=4 3350 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,1,0|1,0,1]=4 3351 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,1,0|1,0,1]=4 3352 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,1,0|1,0,1]=4 3353 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,1,0|1,0,1]=4 3354 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,1,0|1,0,1]=4 3355 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,1,0|1,0,1]=4 3356 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,1,0|1,0,1]=4 3357 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,1,0|1,0,1]=4 3358 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,1,0|2,0,0]=4 3359 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,1,0|1,0,1]=4 3360 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,1,0|1,0,1]=4 3361 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,1,0|2,0,0]=4 3362 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,1,0|2,0,0]=4 3363 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,1,0|2,0,0]=4 3364 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,1,0|2,0,0]=4 3365 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,1,0|2,0,0]=4 3366 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,1,0|2,0,0]=4 3367 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,1,0|2,0,0]=4 3368 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,1,0|2,0,0]=4 3369 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,1,0|2,0,0]=4 3370 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,1,0|2,0,0]=4 3371 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,1,0|1,0,1]=4 3372 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,1,0|1,0,1]=4 3373 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,1,0|1,0,1]=4 3374 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,1,0|1,0,1]=4 3375 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,1,0|1,0,1]=4 3376 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,1,0|1,0,1]=4 3377 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,1,0|1,0,1]=4 3378 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,1,0|1,0,1]=4 3379 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,1,0|1,0,1]=4 3380 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,1,0|1,0,1]=4 3381 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,1,0|1,0,1]=4 3382 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,1,0|1,0,1]=4 3383 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,1,0|2,0,0]=4 3384 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,1,0|1,0,0]=3 3385 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,1,0|1,0,0]=3 3386 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,1,0|1,0,0]=3 3387 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,1,0|1,0,0]=3 3388 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,1,0|1,0,0]=3 3389 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,1,0|1,0,0]=3 3390 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,1,0|1,0,0]=3 3391 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,1,0|2,0,0]=4 3392 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,1,0|2,0,0]=4 3393 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,1,0|1,0,0]=3 3394 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,1,0|1,0,0]=3 3395 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,1,0|1,0,0]=3 3396 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,1,0|1,0,0]=3 3397 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,1,0|1,0,0]=3 3398 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,1,0|1,0,0]=3 3399 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,1,0|1,0,0]=3 3400 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,1,0|1,0,0]=3 3401 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,1,0|1,0,0]=3 3402 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,1,0|1,0,0]=3 3403 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,1,0|1,0,0]=3 3404 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,1,0|1,0,0]=3 3405 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,1,0|1,0,0]=3 3406 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,1,0|1,0,0]=3 3407 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,1,0|1,0,0]=3 3408 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,1,0|1,0,0]=3 3409 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,1,0|1,0,0]=3 3410 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,1,0|1,0,0]=3 3411 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,1,0|1,0,0]=3 3412 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,1,0|1,0,0]=3 3413 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,1,0|1,0,0]=3 3414 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,1,0|1,0,0]=3 3415 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,1,0|1,0,0]=3 3416 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,1,0|2,0,0]=4 3417 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,1,0|2,0,0]=4 3418 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,1,0|2,0,0]=4 3419 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,1,0|1,0,0]=3 3420 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,1,0|2,0,0]=4 3421 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,1,0|0,0,0]=2 3422 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,1,0|1,0,0]=3 3423 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,1,0|1,0,0]=3 3424 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,1,0|2,0,0]=4 3425 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,1,0|1,0,0]=3 3426 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,1,0|2,0,0]=4 3427 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,1,0|2,0,0]=4 3428 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,1,0|1,0,1]=4 3429 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,1,0|1,0,1]=4 3430 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,1,0|1,0,1]=4 3431 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,1,0|1,0,1]=4 3432 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,1,0|1,0,1]=4 3433 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,1,0|1,0,1]=4 3434 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,1,0|1,0,1]=4 3435 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,1,0|1,0,1]=4 3436 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,1,0|1,0,1]=4 3437 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,1,0|1,0,1]=4 3438 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,1,0|1,0,1]=4 3439 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,1,0|1,0,1]=4 3440 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,1,0|1,0,1]=4 3441 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,1,0|1,0,1]=4 3442 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,1,0|2,0,0]=4 3443 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,1,0|1,0,1]=4 3444 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,1,0|1,0,1]=4 3445 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,1,0|2,0,0]=4 3446 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,1,0|2,0,0]=4 3447 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,1,0|2,0,0]=4 3448 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,1,0|2,0,0]=4 3449 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,1,0|2,0,0]=4 3450 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,1,0|2,0,0]=4 3451 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,1,0|2,0,0]=4 3452 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,1,0|2,0,0]=4 3453 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,1,0|2,0,0]=4 3454 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,1,0|1,0,1]=4 3455 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,1,0|1,0,1]=4 3456 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,1,0|1,0,1]=4 3457 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,1,0|1,0,1]=4 3458 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,1,0|1,0,1]=4 3459 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,1,0|1,0,1]=4 3460 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,1,0|1,0,1]=4 3461 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,1,0|1,0,0]=3 3462 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,1,0|1,0,0]=3 3463 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,1,0|1,0,0]=3 3464 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,1,0|1,0,0]=3 3465 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,1,0|1,0,0]=3 3466 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,1,0|1,0,0]=3 3467 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,1,0|1,0,0]=3 3468 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,1,0|1,0,0]=3 3469 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,1,0|1,0,0]=3 3470 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,1,0|1,0,0]=3 3471 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,1,0|1,0,0]=3 3472 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,1,0|1,0,0]=3 3473 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,1,0|1,0,0]=3 3474 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,1,0|1,0,0]=3 3475 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,1,0|1,0,0]=3 3476 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,1,0|1,0,0]=3 3477 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,1,0|1,0,0]=3 3478 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,1,0|1,0,0]=3 3479 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,1,0|1,0,0]=3 3480 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,1,0|1,0,0]=3 3481 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,1,0|1,0,0]=3 3482 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,1,0|1,0,0]=3 3483 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,1,0|1,0,0]=3 3484 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,1,0|1,0,0]=3 3485 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,1,0|1,0,0]=3 3486 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,1,0|1,0,0]=3 3487 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,1,0|1,0,0]=3 3488 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,1,0|1,0,0]=3 3489 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,1,0|1,0,0]=3 3490 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,1,0|1,0,0]=3 3491 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,1,0|1,0,0]=3 3492 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,1,0|1,0,0]=3 3493 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,1,0|2,0,0]=4 3494 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,1,0|0,0,0]=2 3495 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,1,0|1,0,0]=3 3496 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,1,0|1,0,0]=3 3497 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,1,0|1,0,0]=3 3498 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,0,0,1,0|2,0,0]=4 3499 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,1,0|1,0,0]=3 3500 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,1,0|2,0,0]=4 3501 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,1,0|2,0,0]=4 3502 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,1,0|1,0,1]=4 3503 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,1,0|1,0,1]=4 3504 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,1,0|1,0,1]=4 3505 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,1,0|1,0,1]=4 3506 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,1,0|1,0,1]=4 3507 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,1,0|1,0,1]=4 3508 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,1,0|1,0,1]=4 3509 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,1,0|1,0,1]=4 3510 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,1,0|1,0,1]=4 3511 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,1,0|1,0,1]=4 3512 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,1,0|2,0,0]=4 3513 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,1,0|1,0,1]=4 3514 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,1,0|1,0,1]=4 3515 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,1,0|2,0,0]=4 3516 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,1,0|2,0,0]=4 3517 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,1,0|2,0,0]=4 3518 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,1,0|2,0,0]=4 3519 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,1,0|2,0,0]=4 3520 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,1,0|2,0,0]=4 3521 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,1,0|2,0,0]=4 3522 B11R1.30 CC#CC(=O)Cc1ccsc1 1458a_100000763181_100011233845 [0,1,0,0,1,0|2,0,0]=4 3523 B11R1.30 CC=CC(=O)Cc1ccsc1 1458a_100000210699_100011233845 [0,1,0,0,1,0|2,0,0]=4 3524 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,1,0,0,1,0|2,0,0]=4 3525 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,1,0,0,1,0|2,0,0]=4 3526 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,1,0,0,1,0|2,0,0]=4 3527 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,1,0,0,1,0|2,0,0]=4 3528 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,1,0,0,1,0|2,0,0]=4 3529 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,1,0,0,1,0|2,0,0]=4 3530 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,1,0,0,1,0|2,0,0]=4 3531 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,1,0,0,1,0|2,0,0]=4 3532 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,1,0,0,1,0|2,0,0]=4 3533 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,1,0,0,1,0|2,0,0]=4 3534 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,1,0,0,1,0|2,0,0]=4 3535 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,1,0,0,1,0|2,0,0]=4 3536 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,1,0,0,1,0|2,0,0]=4 3537 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,1,0,0,1,0|2,0,0]=4 3538 B11R1.30 CCNC(=O)Cc1ccoc1 11a_100015525214_100000684892 [0,1,0,0,1,0|2,0,0]=4 3539 B11R1.30 CCNC(=O)Cc1ccoc1 240690a_100015525214_100000684892 [0,1,0,0,1,0|2,0,0]=4 3540 B11R1.30 CCNC(=O)Cc1ccoc1 527a_100015525214_100000684892 [0,1,0,0,1,0|2,0,0]=4 3541 B11R1.30 CCNC(=O)Cc1ccsc1 11a_100015525214_100000184062 [0,1,0,0,1,0|2,0,0]=4 3542 B11R1.30 CCNC(=O)Cc1ccsc1 240690a_100015525214_100000184062 [0,1,0,0,1,0|2,0,0]=4 3543 B11R1.30 CCNC(=O)Cc1ccsc1 527a_100015525214_100000184062 [0,1,0,0,1,0|2,0,0]=4 3544 B11R1.30 CCNC(=O)Cn1cccc1 11a_100015525214_100011196272 [0,1,0,0,1,0|2,0,0]=4 3545 B11R1.30 CCNC(=O)Cn1cccc1 527a_100015525214_100011196272 [0,1,0,0,1,0|2,0,0]=4 3546 B11R1.30 CNNC(=O)Cc1ccc[nH]1 22a_100016993582_100000238377 [0,1,0,0,1,0|2,0,0]=4 3547 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,1,0,0,1,0|2,0,0]=4 3548 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,1,0,0,1,0|2,0,0]=4 3549 B11R1.30 CNNC(=O)Cc1ccoc1 22a_100016993582_100000684892 [0,1,0,0,1,0|2,0,0]=4 3550 B11R1.30 CNNC(=O)Cc1ccsc1 22a_100016993582_100000184062 [0,1,0,0,1,0|2,0,0]=4 3551 B11R1.30 CNNC(=O)Cn1cccc1 22a_100016993582_100011196272 [0,1,0,0,1,0|2,0,0]=4 3552 B11R1.30 COCC(=O)Cc1c[nH]cn1 1458a_100000210968_100000707719 [0,1,0,0,1,0|2,0,0]=4 3553 B11R1.30 COCC(=O)Cc1ccn[nH]1 1458a_100000210968_100000728653 [0,1,0,0,1,0|2,0,0]=4 3554 B11R1.30 COCC(=O)Cc1ccon1 1458a_100000210968_100000234950 [0,1,0,0,1,0|2,0,0]=4 3555 B11R1.30 COCC(=O)Cc1ccsc1 1458a_100000210968_100011233845 [0,1,0,0,1,0|1,0,0]=3 3556 B11R1.30 COCC(=O)Cc1cncs1 1458a_100000210968_100015185245 [0,1,0,0,1,0|2,0,0]=4 3557 B11R1.30 COCC(=O)Cc1cscn1 1458a_100000210968_100000205941 [0,1,0,0,1,0|2,0,0]=4 3558 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,1,0,0,1,0|2,0,0]=4 3559 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,1,0,0,1,0|2,0,0]=4 3560 B11R1.30 CSCC(=O)Cc1ccsc1 1458a_100000184570_100011233845 [0,1,0,0,1,0|1,1,0]=4 3561 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,1,0,0,1,0|2,0,0]=4 3562 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,1,0,0,1,0|2,0,0]=4 3563 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,1,0,0,1,0|2,0,0]=4 3564 B11R1.30 O=C(CCF)Cc1ccoc1 1458a_100000684892_100011217306 [0,1,0,0,1,0|2,0,0]=4 3565 B11R1.30 O=C(CCF)Cc1ccsc1 1458a_100000184062_100011217306 [0,1,0,0,1,0|2,0,0]=4 3566 B11R1.30 O=C(CCF)Cn1cccc1 1458a_100011196272_100011217306 [0,1,0,0,1,0|2,0,0]=4 3567 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,1,0,0,1,0|2,0,0]=4 3568 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,1,0,0,1,0|2,0,0]=4 3569 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,1,0,0,1,0|2,0,0]=4 3570 B11R1.30 O=C(CCO)Cc1ccoc1 1458a_100000684892_100000211926 [0,1,0,0,1,0|2,0,0]=4 3571 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100000184062_100000211926 [0,1,0,0,1,0|2,0,0]=4 3572 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100011216618_100011233845 [0,1,0,0,1,0|2,0,0]=4 3573 B11R1.30 O=C(CCO)Cn1cccc1 1458a_100011196272_100000211926 [0,1,0,0,1,0|2,0,0]=4 3574 B11R1.31 CCC(=O)C(C)n1cccc1 1458a_100000243804_100000210202 [0,1,0,0,1,0|2,0,0]=4 3575 B11R1.31 CNC(=O)C(C)n1cccc1 11a_106832991635_100000243804 [0,1,0,0,1,0|2,0,0]=4 3576 B11R1.31 CNC(=O)C(C)n1cccc1 1626a_100102657272_100000243804 [0,1,0,0,1,0|2,0,0]=4 3577 B11R1.31 CNC(=O)C(C)n1cccc1 240690a_100102657272_100000243804 [0,1,0,0,1,0|2,0,0]=4 3578 B11R1.31 CNC(=O)C(C)n1cccc1 527a_100102657272_100000243804 [0,1,0,0,1,0|2,0,0]=4 3579 B11R1.35 C=C(C)C(=O)Cc1ccsc1 1458a_100000185857_100011233845 [0,1,0,0,1,0|2,0,0]=4 3580 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,1,0,0,1,0|2,0,0]=4 3581 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,1,0|2,0,0]=4 3582 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,1,0,0,1,0|2,0,0]=4 3583 B11R1.35 CC(C)C(=O)Cc1ccoc1 1458a_100000684892_100000210206 [0,1,0,0,1,0|2,0,0]=4 3584 B11R1.35 CC(C)C(=O)Cc1ccsc1 1458a_100000184062_100000210206 [0,1,0,0,1,0|2,0,0]=4 3585 B11R1.35 CC(C)C(=O)Cc1ccsc1 1458a_100000210198_100011233845 [0,1,0,0,1,0|2,0,0]=4 3586 B11R1.35 CC(C)C(=O)Cn1cccc1 1458a_100011196272_100000210206 [0,1,0,0,1,0|2,0,0]=4 3587 B11R1.35 CC(F)C(=O)Cc1ccsc1 1458a_100000062450_100011233845 [0,1,0,0,1,0|2,0,0]=4 3588 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 11a_100102631434_100000238377 [0,1,0,0,1,0|2,0,0]=4 3589 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 240690a_100102631434_100000238377 [0,1,0,0,1,0|2,0,0]=4 3590 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 527a_100102631434_100000238377 [0,1,0,0,1,0|2,0,0]=4 3591 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,1,0|2,0,0]=4 3592 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,1,0|2,0,0]=4 3593 B11R1.35 CN(C)C(=O)Cc1cccs1 11a_100102631434_100000210189 [0,1,0,0,1,0|2,0,0]=4 3594 B11R1.35 CN(C)C(=O)Cc1cccs1 1626a_100102631434_100000210189 [0,1,0,0,1,0|2,0,0]=4 3595 B11R1.35 CN(C)C(=O)Cc1cccs1 240690a_100102631434_100000210189 [0,1,0,0,1,0|2,0,0]=4 3596 B11R1.35 CN(C)C(=O)Cc1ccoc1 11a_100102631434_100000684892 [0,1,0,0,1,0|2,0,0]=4 3597 B11R1.35 CN(C)C(=O)Cc1ccoc1 1626a_100102631434_100000684892 [0,1,0,0,1,0|2,0,0]=4 3598 B11R1.35 CN(C)C(=O)Cc1ccoc1 240690a_100102631434_100000684892 [0,1,0,0,1,0|2,0,0]=4 3599 B11R1.35 CN(C)C(=O)Cc1ccoc1 527a_100102631434_100000684892 [0,1,0,0,1,0|2,0,0]=4 3600 B11R1.35 CN(C)C(=O)Cc1ccsc1 11a_100102631434_100000184062 [0,1,0,0,1,0|2,0,0]=4 3601 B11R1.35 CN(C)C(=O)Cc1ccsc1 1626a_100102631434_100000184062 [0,1,0,0,1,0|2,0,0]=4 3602 B11R1.35 CN(C)C(=O)Cc1ccsc1 240690a_100102631434_100000184062 [0,1,0,0,1,0|2,0,0]=4 3603 B11R1.35 CN(C)C(=O)Cc1ccsc1 527a_100102631434_100000184062 [0,1,0,0,1,0|2,0,0]=4 3604 B11R1.35 CN(C)C(=O)Cn1cccc1 11a_100102631434_100011196272 [0,1,0,0,1,0|2,0,0]=4 3605 B11R1.35 CN(C)C(=O)Cn1cccc1 1626a_100102631434_100011196272 [0,1,0,0,1,0|2,0,0]=4 3606 B11R1.35 CN(C)C(=O)Cn1cccc1 527a_100102631434_100011196272 [0,1,0,0,1,0|2,0,0]=4 3607 B11R1.35 C[C@@H](O)C(=O)Cc1ccsc1 1458a_100000717761_100011233845 [0,1,0,0,1,0|2,0,0]=4 3608 B11R1.35 C[C@H](O)C(=O)Cc1ccsc1 1458a_217856618621_100011233845 [0,1,0,0,1,0|2,0,0]=4 3609 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,1,0,0,1,0|2,0,0]=4 3610 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,1,0,0,1,0|2,0,0]=4 3611 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,1,0,0,1,0|2,0,0]=4 3612 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,1,0,0,1,0|2,0,0]=4 3613 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,1,0,0,1,0|2,0,0]=4 3614 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,1,0,0,1,0|2,0,0]=4 3615 B11R1.39 CNC(=O)Cc1cc(cs1)Br 11a_106832991635_100011542370 [0,1,0,0,1,0|2,0,0]=4 3616 B11R1.39 CNC(=O)Cc1cc(cs1)Br 1626a_100102657272_100011542370 [0,1,0,0,1,0|2,0,0]=4 3617 B11R1.39 CNC(=O)Cc1cc(cs1)Br 240690a_100102657272_100011542370 [0,1,0,0,1,0|2,0,0]=4 3618 B11R1.39 CNC(=O)Cc1ccc(s1)Br 11a_106832991635_100000238643 [0,1,0,0,1,0|2,0,0]=4 3619 B11R1.39 CNC(=O)Cc1ccc(s1)Br 1626a_100102657272_100000238643 [0,1,0,0,1,0|2,0,0]=4 3620 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 11a_106832991635_100000238644 [0,1,0,0,1,0|2,0,0]=4 3621 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 1626a_100102657272_100000238644 [0,1,0,0,1,0|2,0,0]=4 3622 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 240690a_100102657272_100000238644 [0,1,0,0,1,0|2,0,0]=4 3623 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,0,1,0|1,0,0]=3 3624 B11R1.39 COC(=O)Cc1csc(n1)O 271570a_203496583355_100010153560 [0,1,0,0,1,0|2,0,0]=4 3625 B11R1.39 COC(=O)Cn1cc(cn1)O 271570a_203496583355_100011398172 [0,1,0,0,1,0|2,0,0]=4 3626 B11R1.228 CCC(=O)Cc1ccsc1Br 1458a_100000210414_100009814289 [0,1,0,0,1,0|2,0,0]=4 3627 B11R1.228 CCC(=O)Cc1ccsc1Cl 1458a_100000210414_100010167017 [0,1,0,0,1,0|2,0,0]=4 3628 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,1,0,0,0,1|1,0,1]=4 3629 B13R1.11 C#CC(=O)CC(C)c1ccccc1 1458a_100000211873_100000756946 [0,1,0,0,0,1|1,0,1]=4 3630 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [0,1,0,0,0,1|1,0,1]=4 3631 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [0,1,0,0,0,1|1,0,1]=4 3632 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,1,0,0,0,1|1,0,1]=4 3633 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,1,0,0,0,1|1,0,1]=4 3634 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,1,0,0,0,1|1,0,1]=4 3635 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,1,0,0,0,1|1,0,1]=4 3636 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000185746 [0,1,0,0,0,1|1,0,1]=4 3637 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_200121576911 [0,1,0,0,0,1|1,0,1]=4 3638 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,1,0,0,0,1|2,0,0]=4 3639 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,1,0,0,0,1|2,0,0]=4 3640 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,0,0,0,1|1,0,1]=4 3641 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,1|1,0,0]=3 3642 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,1|1,0,0]=3 3643 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,1,0,0,0,1|2,0,0]=4 3644 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,1,0,0,0,1|2,0,0]=4 3645 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,1,0,0,0,1|2,0,0]=4 3646 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,1,0,0,0,1|1,0,0]=3 3647 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,1,0,0,0,1|1,0,0]=3 3648 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,1,0,0,0,1|1,0,0]=3 3649 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,1,0,0,0,1|1,0,0]=3 3650 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [0,1,0,0,0,1|1,0,0]=3 3651 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [0,1,0,0,0,1|1,0,0]=3 3652 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,1,0,0,0,1|1,0,0]=3 3653 B13R1.11 CCC(=O)NC(C)c1ccccn1 11a_100000181244_100000210414 [0,1,0,0,0,1|2,0,0]=4 3654 B13R1.11 CCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000210414 [0,1,0,0,0,1|2,0,0]=4 3655 B13R1.11 CCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000210414 [0,1,0,0,0,1|2,0,0]=4 3656 B13R1.11 CCC(=O)NC(C)c1ccccn1 527a_100000181244_100000210414 [0,1,0,0,0,1|2,0,0]=4 3657 B13R1.11 CCC(=O)NC(C)c1cccnc1 11a_100000195435_100000210414 [0,1,0,0,0,1|2,0,0]=4 3658 B13R1.11 CCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210414 [0,1,0,0,0,1|2,0,0]=4 3659 B13R1.11 CCC(=O)NC(C)c1cccnc1 527a_100000195435_100000210414 [0,1,0,0,0,1|2,0,0]=4 3660 B13R1.11 CCC(=O)NC(C)c1ccncc1 240690a_100000181269_100000210414 [0,1,0,0,0,1|2,0,0]=4 3661 B13R1.11 CCC(=O)NC(C)c1ccncc1 527a_100000181269_100000210414 [0,1,0,0,0,1|2,0,0]=4 3662 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [0,1,0,0,0,1|1,0,0]=3 3663 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [0,1,0,0,0,1|1,0,0]=3 3664 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [0,1,0,0,0,1|1,0,0]=3 3665 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [0,1,0,0,0,1|1,0,0]=3 3666 B13R1.11 CN(CC(=O)CF)c1ccccc1 1458a_100000745425_100015361967 [0,1,0,0,0,1|2,0,0]=4 3667 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,0,0,0,1|1,0,1]=4 3668 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,0,0,0,1|1,0,1]=4 3669 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,0,0,0,1|1,0,1]=4 3670 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,0,0,0,1|1,0,1]=4 3671 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,1|1,0,0]=3 3672 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,1,0,0,0,1|1,0,0]=3 3673 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,1,0,0,0,1|1,0,0]=3 3674 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,1,0,0,0,1|1,0,0]=3 3675 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,1,0,0,0,1|1,0,0]=3 3676 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,0,0,0,1|1,0,0]=3 3677 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,1,0,0,0,1|1,0,0]=3 3678 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,1,0,0,0,1|1,0,0]=3 3679 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,1,0,0,0,1|1,0,0]=3 3680 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,1,0,0,0,1|1,0,0]=3 3681 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,1,0,0,0,1|1,0,0]=3 3682 B13R1.11 CNC(=O)NC(C)c1ccccn1 2708a_100000181244_106832991635 [0,1,0,0,0,1|2,0,0]=4 3683 B13R1.11 CNC(=O)NC(C)c1ccccn1 2708a_100102657272_100000181244 [0,1,0,0,0,1|2,0,0]=4 3684 B13R1.11 CNC(=O)NC(C)c1ccccn1 273464a_100000181244_100102657272 [0,1,0,0,0,1|2,0,0]=4 3685 B13R1.11 CNC(=O)NC(C)c1ccccn1 273464a_100102657272_100000181244 [0,1,0,0,0,1|2,0,0]=4 3686 B13R1.11 CNC(=O)NC(C)c1ccccn1 512a_100000181244_100102657272 [0,1,0,0,0,1|2,0,0]=4 3687 B13R1.11 CNC(=O)NC(C)c1ccccn1 512a_106832991638_100000181244 [0,1,0,0,0,1|2,0,0]=4 3688 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100000195435_106832991635 [0,1,0,0,0,1|2,0,0]=4 3689 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100102657272_100000195435 [0,1,0,0,0,1|2,0,0]=4 3690 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100000195435_100102657272 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100102657272_100000195435 [0,1,0,0,0,1|2,0,0]=4 3692 B13R1.11 CNC(=O)NC(C)c1cccnc1 512a_106832991638_100000195435 [0,1,0,0,0,1|2,0,0]=4 3693 B13R1.11 CNC(=O)NC(C)c1ccncc1 2708a_100000181269_106832991635 [0,1,0,0,0,1|2,0,0]=4 3694 B13R1.11 CNC(=O)NC(C)c1ccncc1 2708a_100102657272_100000181269 [0,1,0,0,0,1|2,0,0]=4 3695 B13R1.11 CNC(=O)NC(C)c1ccncc1 273464a_100000181269_100102657272 [0,1,0,0,0,1|2,0,0]=4 3696 B13R1.11 CNC(=O)NC(C)c1ccncc1 273464a_100102657272_100000181269 [0,1,0,0,0,1|2,0,0]=4 3697 B13R1.11 CNC(=O)NC(C)c1ccncc1 512a_100000181269_100102657272 [0,1,0,0,0,1|2,0,0]=4 3698 B13R1.11 CNC(=O)NC(C)c1ccncc1 512a_106832991638_100000181269 [0,1,0,0,0,1|2,0,0]=4 3699 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,1,0,0,0,1|1,0,0]=3 3700 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,1,0,0,0,1|1,0,0]=3 3701 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,1,0,0,0,1|1,0,0]=3 3702 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,1,0,0,0,1|1,0,0]=3 3703 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,1,0,0,0,1|1,0,0]=3 3704 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,1,0,0,0,1|1,0,0]=3 3705 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,1|0,0,0]=2 3706 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,1,0,0,0,1|0,0,0]=2 3707 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,1,0,0,0,1|0,0,0]=2 3708 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,1,0,0,0,1|0,0,0]=2 3709 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,1,0,0,0,1|0,0,0]=2 3710 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,1,0,0,0,1|0,0,0]=2 3711 B13R1.11 COC(=O)CN(C)c1cccnn1 27a_100000198492_100016991348 [0,1,0,0,0,1|2,0,0]=4 3712 B13R1.11 COC(=O)CN(C)c1ccncn1 27a_100000198492_100000703185 [0,1,0,0,0,1|2,0,0]=4 3713 B13R1.11 COC(=O)CN(C)c1cnccn1 27a_100000198492_100000211759 [0,1,0,0,0,1|2,0,0]=4 3714 B13R1.11 COC(=O)CN(C)c1ncccn1 27a_100000198492_100000211032 [0,1,0,0,0,1|2,0,0]=4 3715 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,1,0,0,0,1|0,0,0]=2 3716 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,1,0,0,0,1|0,0,0]=2 3717 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,1,0,0,0,1|1,0,1]=4 3718 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,1,0,0,0,1|1,0,1]=4 3719 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,1,0,0,0,1|2,0,0]=4 3720 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,1,0,0,0,1|2,0,0]=4 3721 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,1,0,0,0,1|2,0,0]=4 3722 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,1|2,0,0]=4 3723 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,0,0,0,1|2,0,0]=4 3724 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,0,0,0,1|2,0,0]=4 3725 B13R1.14 C#CC(=O)CCc1ccc(cc1)Br 1458a_100000211873_100011740612 [0,1,0,0,0,1|1,0,1]=4 3726 B13R1.14 C#CC(=O)CCc1ccc(cc1)C 1458a_100000211873_100011713686 [0,1,0,0,0,1|1,0,1]=4 3727 B13R1.14 C#CC(=O)CCc1ccc(cc1)Cl 1458a_100000211873_100011713675 [0,1,0,0,0,1|1,0,1]=4 3728 B13R1.14 C#CC(=O)CCc1ccc(cc1)F 1458a_100000211873_100011217392 [0,1,0,0,0,1|1,0,1]=4 3729 B13R1.14 C#CC(=O)CCc1ccc(cc1)O 1458a_100000211873_100009816426 [0,1,0,0,0,1|1,0,1]=4 3730 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [0,1,0,0,0,1|1,0,1]=4 3731 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [0,1,0,0,0,1|1,0,1]=4 3732 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [0,1,0,0,0,1|1,0,1]=4 3733 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [0,1,0,0,0,1|1,0,1]=4 3734 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,1,0,0,0,1|1,0,1]=4 3735 B13R1.14 C=CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000185746 [0,1,0,0,0,1|1,0,1]=4 3736 B13R1.14 C=CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_200121576911 [0,1,0,0,0,1|1,0,1]=4 3737 B13R1.14 C=CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000185746 [0,1,0,0,0,1|1,0,1]=4 3738 B13R1.14 C=CC(=O)NCc1ccc(cc1)C 240690a_100000174908_200121576911 [0,1,0,0,0,1|1,0,1]=4 3739 B13R1.14 C=CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000185746 [0,1,0,0,0,1|1,0,1]=4 3740 B13R1.14 C=CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_200121576911 [0,1,0,0,0,1|1,0,1]=4 3741 B13R1.14 C=CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000185746 [0,1,0,0,0,1|1,0,1]=4 3742 B13R1.14 C=CC(=O)NCc1ccc(cc1)F 240690a_100000174882_200121576911 [0,1,0,0,0,1|1,0,1]=4 3743 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000185746 [0,1,0,0,0,1|1,0,1]=4 3744 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 240690a_100016989417_200121576911 [0,1,0,0,0,1|1,0,1]=4 3745 B13R1.14 C=CC(=O)NCc1ccc(cc1)O 240690a_100000185549_200121576911 [0,1,0,0,0,1|1,0,1]=4 3746 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210202 [0,1,0,0,0,1|1,0,1]=4 3747 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210202 [0,1,0,0,0,1|1,0,1]=4 3748 B13R1.14 CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210202 [0,1,0,0,0,1|1,0,1]=4 3749 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [0,1,0,0,0,1|1,0,1]=4 3750 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [0,1,0,0,0,1|1,0,1]=4 3751 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [0,1,0,0,0,1|1,0,1]=4 3752 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [0,1,0,0,0,1|1,0,1]=4 3753 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [0,1,0,0,0,1|1,0,1]=4 3754 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [0,1,0,0,0,1|1,0,1]=4 3755 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [0,1,0,0,0,1|1,0,1]=4 3756 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [0,1,0,0,0,1|1,0,1]=4 3757 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,1,0,0,0,1|1,0,0]=3 3758 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,1,0,0,0,1|1,0,0]=3 3759 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,1,0,0,0,1|1,0,0]=3 3760 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,1,0,0,0,1|1,0,0]=3 3761 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,1,0,0,0,1|1,0,0]=3 3762 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,1,0,0,0,1|1,0,0]=3 3763 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,1,0,0,0,1|1,0,0]=3 3764 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,1,0,0,0,1|1,0,0]=3 3765 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,1,0,0,0,1|1,0,0]=3 3766 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,1,0,0,0,1|1,0,0]=3 3767 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,1,0,0,0,1|1,0,0]=3 3768 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,1,0,0,0,1|1,0,0]=3 3769 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,1,0,0,0,1|1,0,0]=3 3770 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,1,0,0,0,1|1,0,0]=3 3771 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,1,0,0,0,1|1,0,0]=3 3772 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,1,0,0,0,1|1,0,0]=3 3773 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,1,0,0,0,1|1,0,0]=3 3774 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,1,0,0,0,1|1,0,0]=3 3775 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,1,0,0,0,1|1,0,0]=3 3776 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,1,0,0,0,1|1,0,0]=3 3777 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,1,0,0,0,1|1,0,0]=3 3778 B13R1.14 CCC(=O)COc1ccc(nc1)Br 7a_100000685995_100000747405 [0,1,0,0,0,1|2,0,0]=4 3779 B13R1.14 CCC(=O)COc1ccc(nc1)C 7a_100000745506_100000747405 [0,1,0,0,0,1|2,0,0]=4 3780 B13R1.14 CCC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747405 [0,1,0,0,0,1|2,0,0]=4 3781 B13R1.14 CCC(=O)COc1ccc(nc1)F 7a_100000688820_100000747405 [0,1,0,0,0,1|2,0,0]=4 3782 B13R1.14 CCC(=O)COc1ccc(nc1)I 7a_100000687607_100000747405 [0,1,0,0,0,1|2,0,0]=4 3783 B13R1.14 CCC(=O)COc1ccc(nc1)N 7a_100015188713_100000747405 [0,1,0,0,0,1|2,0,0]=4 3784 B13R1.14 CCC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747405_100000039755 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.14 CCC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747405 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.14 CCC(=O)CSc1ccc(=O)[nH]c1 62a_100000747405_100000212171 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210202 [0,1,0,0,0,1|1,0,0]=3 3788 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000747405_100000752885 [0,1,0,0,0,1|1,0,0]=3 3789 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747405 [0,1,0,0,0,1|1,0,0]=3 3790 B13R1.14 CCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210202 [0,1,0,0,0,1|1,0,0]=3 3791 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747405 [0,1,0,0,0,1|1,0,0]=3 3792 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000747405_100000186775 [0,1,0,0,0,1|1,0,0]=3 3793 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [0,1,0,0,0,1|1,0,0]=3 3794 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [0,1,0,0,0,1|1,0,0]=3 3795 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [0,1,0,0,0,1|1,0,0]=3 3796 B13R1.14 CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210202 [0,1,0,0,0,1|1,0,0]=3 3797 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747405 [0,1,0,0,0,1|1,0,0]=3 3798 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000747405_100000211213 [0,1,0,0,0,1|1,0,0]=3 3799 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747405 [0,1,0,0,0,1|1,0,0]=3 3800 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000747405_100000185761 [0,1,0,0,0,1|1,0,0]=3 3801 B13R1.14 CCC(=O)CSc1ccc(cc1)O 62a_100000747405_100000185759 [0,1,0,0,0,1|1,0,0]=3 3802 B13R1.14 CCC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747405 [0,1,0,0,0,1|2,0,0]=4 3803 B13R1.14 CCC(=O)CSc1ccc(cn1)Br 62a_100000747405_100000686858 [0,1,0,0,0,1|2,0,0]=4 3804 B13R1.14 CCC(=O)CSc1ccc(cn1)C 62a_100000747405_100000754016 [0,1,0,0,0,1|2,0,0]=4 3805 B13R1.14 CCC(=O)CSc1ccc(cn1)C 62a_100011192072_100000747405 [0,1,0,0,0,1|2,0,0]=4 3806 B13R1.14 CCC(=O)CSc1ccc(cn1)Cl 62a_100000747405_100011356976 [0,1,0,0,0,1|2,0,0]=4 3807 B13R1.14 CCC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747405 [0,1,0,0,0,1|2,0,0]=4 3808 B13R1.14 CCC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747405 [0,1,0,0,0,1|2,0,0]=4 3809 B13R1.14 CCC(=O)CSc1ccc(cn1)F 62a_100000747405_100000744514 [0,1,0,0,0,1|2,0,0]=4 3810 B13R1.14 CCC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747405 [0,1,0,0,0,1|2,0,0]=4 3811 B13R1.14 CCC(=O)CSc1ccc(cn1)N 62a_100000747405_100000737798 [0,1,0,0,0,1|2,0,0]=4 3812 B13R1.14 CCC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747405 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.14 CCC(=O)CSc1ccc(cn1)O 62a_100000747405_100000744096 [0,1,0,0,0,1|2,0,0]=4 3814 B13R1.14 CCC(=O)CSc1ccc(nc1)Br 62a_100000747405_100009814638 [0,1,0,0,0,1|2,0,0]=4 3815 B13R1.14 CCC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747405 [0,1,0,0,0,1|2,0,0]=4 3816 B13R1.14 CCC(=O)CSc1ccc(nc1)C 62a_100000747405_100000751577 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.14 CCC(=O)CSc1ccc(nc1)C 62a_100000751577_100000747405 [0,1,0,0,0,1|2,0,0]=4 3818 B13R1.14 CCC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747405 [0,1,0,0,0,1|2,0,0]=4 3819 B13R1.14 CCC(=O)CSc1ccc(nc1)Cl 62a_100000747405_100000034144 [0,1,0,0,0,1|2,0,0]=4 3820 B13R1.14 CCC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747405 [0,1,0,0,0,1|2,0,0]=4 3821 B13R1.14 CCC(=O)CSc1ccc(nc1)F 62a_100000747405_100000042367 [0,1,0,0,0,1|2,0,0]=4 3822 B13R1.14 CCC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747405 [0,1,0,0,0,1|2,0,0]=4 3823 B13R1.14 CCC(=O)CSc1ccc(nc1)N 62a_100000747405_100000187370 [0,1,0,0,0,1|2,0,0]=4 3824 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210414 [0,1,0,0,0,1|1,0,0]=3 3825 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210414 [0,1,0,0,0,1|1,0,0]=3 3826 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210414 [0,1,0,0,0,1|1,0,0]=3 3827 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210414 [0,1,0,0,0,1|1,0,0]=3 3828 B13R1.14 CCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210414 [0,1,0,0,0,1|1,0,0]=3 3829 B13R1.14 CCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210414 [0,1,0,0,0,1|1,0,0]=3 3830 B13R1.14 CCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210414 [0,1,0,0,0,1|1,0,0]=3 3831 B13R1.14 CCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210414 [0,1,0,0,0,1|1,0,0]=3 3832 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210414 [0,1,0,0,0,1|1,0,0]=3 3833 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210414 [0,1,0,0,0,1|1,0,0]=3 3834 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210414 [0,1,0,0,0,1|1,0,0]=3 3835 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210414 [0,1,0,0,0,1|1,0,0]=3 3836 B13R1.14 CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210414 [0,1,0,0,0,1|1,0,0]=3 3837 B13R1.14 CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210414 [0,1,0,0,0,1|1,0,0]=3 3838 B13R1.14 CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210414 [0,1,0,0,0,1|1,0,0]=3 3839 B13R1.14 CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210414 [0,1,0,0,0,1|1,0,0]=3 3840 B13R1.14 CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210414 [0,1,0,0,0,1|1,0,0]=3 3841 B13R1.14 CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210414 [0,1,0,0,0,1|1,0,0]=3 3842 B13R1.14 CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210414 [0,1,0,0,0,1|1,0,0]=3 3843 B13R1.14 CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210414 [0,1,0,0,0,1|1,0,0]=3 3844 B13R1.14 CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210414 [0,1,0,0,0,1|1,0,0]=3 3845 B13R1.14 CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210414 [0,1,0,0,0,1|1,0,0]=3 3846 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 11a_100015188789_100000210414 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100000210414 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100000210414 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 527a_100015188789_100000210414 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.14 CCC(=O)NCc1ccc(cn1)C 11a_100015187455_100000210414 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.14 CCC(=O)NCc1ccc(cn1)C 1626a_100015187455_100000210414 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.14 CCC(=O)NCc1ccc(cn1)C 240690a_100015187455_100000210414 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.14 CCC(=O)NCc1ccc(cn1)C 527a_100015187455_100000210414 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100000210414 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100000210414 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100000210414 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100000210414 [0,1,0,0,0,1|2,0,0]=4 3858 B13R1.14 CCC(=O)NCc1ccc(cn1)F 11a_100020620131_100000210414 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.14 CCC(=O)NCc1ccc(cn1)F 1626a_100020620131_100000210414 [0,1,0,0,0,1|2,0,0]=4 3860 B13R1.14 CCC(=O)NCc1ccc(cn1)F 240690a_100020620131_100000210414 [0,1,0,0,0,1|2,0,0]=4 3861 B13R1.14 CCC(=O)NCc1ccc(cn1)F 527a_100020620131_100000210414 [0,1,0,0,0,1|2,0,0]=4 3862 B13R1.14 CCC(=O)NCc1ccc(cn1)O 240690a_100020605196_100000210414 [0,1,0,0,0,1|2,0,0]=4 3863 B13R1.14 CCC(=O)NCc1ccc(nc1)Br 11a_100009817727_100000210414 [0,1,0,0,0,1|2,0,0]=4 3864 B13R1.14 CCC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100000210414 [0,1,0,0,0,1|2,0,0]=4 3865 B13R1.14 CCC(=O)NCc1ccc(nc1)Br 527a_100009817727_100000210414 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.14 CCC(=O)NCc1ccc(nc1)C 11a_100000740942_100000210414 [0,1,0,0,0,1|2,0,0]=4 3867 B13R1.14 CCC(=O)NCc1ccc(nc1)C 1626a_100000740942_100000210414 [0,1,0,0,0,1|2,0,0]=4 3868 B13R1.14 CCC(=O)NCc1ccc(nc1)C 240690a_100000740942_100000210414 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.14 CCC(=O)NCc1ccc(nc1)C 527a_100000740942_100000210414 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.14 CCC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100000210414 [0,1,0,0,0,1|2,0,0]=4 3871 B13R1.14 CCC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100000210414 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.14 CCC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100000210414 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.14 CCC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100000210414 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.14 CCC(=O)NCc1ccc(nc1)F 11a_100000101913_100000210414 [0,1,0,0,0,1|2,0,0]=4 3875 B13R1.14 CCC(=O)NCc1ccc(nc1)F 1626a_100000101913_100000210414 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.14 CCC(=O)NCc1ccc(nc1)F 240690a_100000101913_100000210414 [0,1,0,0,0,1|2,0,0]=4 3877 B13R1.14 CCC(=O)NCc1ccc(nc1)F 527a_100000101913_100000210414 [0,1,0,0,0,1|2,0,0]=4 3878 B13R1.14 CCC(=O)NCc1ccc(nc1)O 11a_100000757128_100000210414 [0,1,0,0,0,1|2,0,0]=4 3879 B13R1.14 CCC(=O)NCc1ccc(nc1)O 240690a_100000757128_100000210414 [0,1,0,0,0,1|2,0,0]=4 3880 B13R1.14 CCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210414 [0,1,0,0,0,1|2,0,0]=4 3881 B13R1.14 CCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000210414 [0,1,0,0,0,1|2,0,0]=4 3882 B13R1.14 CCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210414 [0,1,0,0,0,1|2,0,0]=4 3883 B13R1.14 CCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210414 [0,1,0,0,0,1|2,0,0]=4 3884 B13R1.14 CCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210414 [0,1,0,0,0,1|2,0,0]=4 3885 B13R1.14 CNC(=O)C#Cc1ccc(cc1)Cl 240690a_100102657272_100011892723 [0,1,0,0,0,1|1,0,1]=4 3886 B13R1.14 CNC(=O)C#Cc1ccc(cc1)F 240690a_100102657272_100000238512 [0,1,0,0,0,1|1,0,1]=4 3887 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [0,1,0,0,0,1|1,0,1]=4 3888 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [0,1,0,0,0,1|1,0,1]=4 3889 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [0,1,0,0,0,1|1,0,1]=4 3890 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [0,1,0,0,0,1|1,0,1]=4 3891 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [0,1,0,0,0,1|1,0,1]=4 3892 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [0,1,0,0,0,1|1,0,1]=4 3893 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [0,1,0,0,0,1|1,0,1]=4 3894 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [0,1,0,0,0,1|1,0,1]=4 3895 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [0,1,0,0,0,1|1,0,1]=4 3896 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [0,1,0,0,0,1|1,0,1]=4 3897 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [0,1,0,0,0,1|1,0,1]=4 3898 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [0,1,0,0,0,1|1,0,1]=4 3899 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [0,1,0,0,0,1|1,0,1]=4 3900 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [0,1,0,0,0,1|1,0,1]=4 3901 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [0,1,0,0,0,1|1,0,1]=4 3902 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,1,0,0,0,1|1,0,0]=3 3903 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,1,0,0,0,1|1,0,0]=3 3904 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,1,0,0,0,1|1,0,0]=3 3905 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,1,0,0,0,1|1,0,0]=3 3906 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,1,0,0,0,1|1,0,0]=3 3907 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,1,0,0,0,1|1,0,0]=3 3908 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,1,0,0,0,1|1,0,0]=3 3909 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,1,0,0,0,1|1,0,0]=3 3910 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,1,0,0,0,1|1,0,0]=3 3911 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,1,0,0,0,1|1,0,0]=3 3912 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,1,0,0,0,1|1,0,0]=3 3913 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,1,0,0,0,1|1,0,0]=3 3914 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,1,0,0,0,1|1,0,0]=3 3915 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,1,0,0,0,1|1,0,0]=3 3916 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,1,0,0,0,1|1,0,0]=3 3917 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,1,0,0,0,1|1,0,0]=3 3918 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,1,0,0,0,1|1,0,0]=3 3919 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,1,0,0,0,1|1,0,0]=3 3920 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,1,0,0,0,1|1,0,0]=3 3921 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,1,0,0,0,1|1,0,0]=3 3922 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,1,0,0,0,1|1,0,0]=3 3923 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,1,0,0,0,1|1,0,0]=3 3924 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183359 [0,1,0,0,0,1|1,0,0]=3 3925 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183359 [0,1,0,0,0,1|1,0,0]=3 3926 B13R1.14 CNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183359 [0,1,0,0,0,1|1,0,0]=3 3927 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183359 [0,1,0,0,0,1|1,0,0]=3 3928 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183359 [0,1,0,0,0,1|1,0,0]=3 3929 B13R1.14 CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183359 [0,1,0,0,0,1|1,0,0]=3 3930 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [0,1,0,0,0,1|1,0,0]=3 3931 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,1,0,0,0,1|1,0,0]=3 3932 B13R1.14 CNC(=O)CNc1ccc(cn1)Br 27a_100000693194_100000686858 [0,1,0,0,0,1|2,0,0]=4 3933 B13R1.14 CNC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000183359 [0,1,0,0,0,1|2,0,0]=4 3934 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,1,0,0,0,1|1,0,0]=3 3935 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,1,0,0,0,1|1,0,0]=3 3936 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,1,0,0,0,1|1,0,0]=3 3937 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,1,0,0,0,1|1,0,0]=3 3938 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,1,0,0,0,1|1,0,0]=3 3939 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,1,0,0,0,1|1,0,0]=3 3940 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,1,0,0,0,1|1,0,0]=3 3941 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,1,0,0,0,1|1,0,0]=3 3942 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,1,0,0,0,1|1,0,0]=3 3943 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,1,0,0,0,1|1,0,0]=3 3944 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,1,0,0,0,1|1,0,0]=3 3945 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,1,0,0,0,1|1,0,0]=3 3946 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,1,0,0,0,1|1,0,0]=3 3947 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,1,0,0,0,1|1,0,0]=3 3948 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,1,0,0,0,1|1,0,0]=3 3949 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,1,0,0,0,1|1,0,0]=3 3950 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,1,0,0,0,1|1,0,0]=3 3951 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,1,0,0,0,1|1,0,0]=3 3952 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,1,0,0,0,1|1,0,0]=3 3953 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,1,0,0,0,1|1,0,0]=3 3954 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,1,0,0,0,1|1,0,0]=3 3955 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,1,0,0,0,1|1,0,0]=3 3956 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,1,0,0,0,1|1,0,0]=3 3957 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,1,0,0,0,1|1,0,0]=3 3958 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,1,0,0,0,1|1,0,0]=3 3959 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,1,0,0,0,1|1,0,0]=3 3960 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,1,0,0,0,1|1,0,0]=3 3961 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,1,0,0,0,1|1,0,0]=3 3962 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,1,0,0,0,1|1,0,0]=3 3963 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,1,0,0,0,1|1,0,0]=3 3964 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,1,0,0,0,1|1,0,0]=3 3965 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,1,0,0,0,1|1,0,0]=3 3966 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,1,0,0,0,1|1,0,0]=3 3967 B13R1.14 CNC(=O)COc1ccc(cn1)C 34a_100000759353_100000183359 [0,1,0,0,0,1|2,0,0]=4 3968 B13R1.14 CNC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000183359 [0,1,0,0,0,1|2,0,0]=4 3969 B13R1.14 CNC(=O)COc1ccc(cn1)F 34a_100000742473_100000183359 [0,1,0,0,0,1|2,0,0]=4 3970 B13R1.14 CNC(=O)COc1ccc(cn1)N 34a_100000729260_100000183359 [0,1,0,0,0,1|2,0,0]=4 3971 B13R1.14 CNC(=O)COc1ccc(nc1)Br 34a_100000685995_100000183359 [0,1,0,0,0,1|2,0,0]=4 3972 B13R1.14 CNC(=O)COc1ccc(nc1)Br 7a_100000685995_100000183359 [0,1,0,0,0,1|2,0,0]=4 3973 B13R1.14 CNC(=O)COc1ccc(nc1)C 34a_100000745506_100000183359 [0,1,0,0,0,1|2,0,0]=4 3974 B13R1.14 CNC(=O)COc1ccc(nc1)C 7a_100000745506_100000183359 [0,1,0,0,0,1|2,0,0]=4 3975 B13R1.14 CNC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000183359 [0,1,0,0,0,1|2,0,0]=4 3976 B13R1.14 CNC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000183359 [0,1,0,0,0,1|2,0,0]=4 3977 B13R1.14 CNC(=O)COc1ccc(nc1)F 34a_100000688820_100000183359 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.14 CNC(=O)COc1ccc(nc1)F 7a_100000688820_100000183359 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.14 CNC(=O)COc1ccc(nc1)I 34a_100000687607_100000183359 [0,1,0,0,0,1|2,0,0]=4 3980 B13R1.14 CNC(=O)COc1ccc(nc1)I 7a_100000687607_100000183359 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.14 CNC(=O)COc1ccc(nc1)N 34a_100015188713_100000183359 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.14 CNC(=O)COc1ccc(nc1)N 7a_100015188713_100000183359 [0,1,0,0,0,1|2,0,0]=4 3983 B13R1.14 CNC(=O)CSc1cc[n+](cc1)[O-] 62a_100000183359_100000039755 [0,1,0,0,0,1|2,0,0]=4 3984 B13R1.14 CNC(=O)CSc1ccc(=O)[nH]c1 62a_100000183359_100000212171 [0,1,0,0,0,1|2,0,0]=4 3985 B13R1.14 CNC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000183359 [0,1,0,0,0,1|2,0,0]=4 3986 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 11a_106832991635_100000179496 [0,1,0,0,0,1|1,0,0]=3 3987 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 1626a_100102657272_100000179496 [0,1,0,0,0,1|1,0,0]=3 3988 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 240690a_100102657272_100000179496 [0,1,0,0,0,1|1,0,0]=3 3989 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 527a_100102657272_100000179496 [0,1,0,0,0,1|1,0,0]=3 3990 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000183359_100000752885 [0,1,0,0,0,1|1,0,0]=3 3991 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183359 [0,1,0,0,0,1|1,0,0]=3 3992 B13R1.14 CNC(=O)CSc1ccc(cc1)C 11a_106832991635_100000179497 [0,1,0,0,0,1|1,0,0]=3 3993 B13R1.14 CNC(=O)CSc1ccc(cc1)C 1626a_100102657272_100000179497 [0,1,0,0,0,1|1,0,0]=3 3994 B13R1.14 CNC(=O)CSc1ccc(cc1)C 240690a_100102657272_100000179497 [0,1,0,0,0,1|1,0,0]=3 3995 B13R1.14 CNC(=O)CSc1ccc(cc1)C 527a_100102657272_100000179497 [0,1,0,0,0,1|1,0,0]=3 3996 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000183359_100000186775 [0,1,0,0,0,1|1,0,0]=3 3997 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183359 [0,1,0,0,0,1|1,0,0]=3 3998 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 11a_106832991635_100000178402 [0,1,0,0,0,1|1,0,0]=3 3999 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 1626a_100102657272_100000178402 [0,1,0,0,0,1|1,0,0]=3 4000 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 240690a_100102657272_100000178402 [0,1,0,0,0,1|1,0,0]=3 4001 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 527a_100102657272_100000178402 [0,1,0,0,0,1|1,0,0]=3 4002 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000183359_100000755918 [0,1,0,0,0,1|1,0,0]=3 4003 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183359 [0,1,0,0,0,1|1,0,0]=3 4004 B13R1.14 CNC(=O)CSc1ccc(cc1)F 11a_106832991635_100000691584 [0,1,0,0,0,1|1,0,0]=3 4005 B13R1.14 CNC(=O)CSc1ccc(cc1)F 1626a_100102657272_100000691584 [0,1,0,0,0,1|1,0,0]=3 4006 B13R1.14 CNC(=O)CSc1ccc(cc1)F 240690a_100102657272_100000691584 [0,1,0,0,0,1|1,0,0]=3 4007 B13R1.14 CNC(=O)CSc1ccc(cc1)F 527a_100102657272_100000691584 [0,1,0,0,0,1|1,0,0]=3 4008 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000183359_100000211213 [0,1,0,0,0,1|1,0,0]=3 4009 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183359 [0,1,0,0,0,1|1,0,0]=3 4010 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000183359_100000185761 [0,1,0,0,0,1|1,0,0]=3 4011 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183359 [0,1,0,0,0,1|1,0,0]=3 4012 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,1,0,0,0,1|1,0,0]=3 4013 B13R1.14 CNC(=O)CSc1ccc(cn1)Br 62a_100000183359_100000686858 [0,1,0,0,0,1|2,0,0]=4 4014 B13R1.14 CNC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000183359 [0,1,0,0,0,1|2,0,0]=4 4015 B13R1.14 CNC(=O)CSc1ccc(cn1)C 62a_100000183359_100000754016 [0,1,0,0,0,1|2,0,0]=4 4016 B13R1.14 CNC(=O)CSc1ccc(cn1)C 62a_100011192072_100000183359 [0,1,0,0,0,1|2,0,0]=4 4017 B13R1.14 CNC(=O)CSc1ccc(cn1)Cl 62a_100000183359_100011356976 [0,1,0,0,0,1|2,0,0]=4 4018 B13R1.14 CNC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000183359 [0,1,0,0,0,1|2,0,0]=4 4019 B13R1.14 CNC(=O)CSc1ccc(cn1)F 62a_100000183359_100000744514 [0,1,0,0,0,1|2,0,0]=4 4020 B13R1.14 CNC(=O)CSc1ccc(cn1)F 62a_100000744514_100000183359 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.14 CNC(=O)CSc1ccc(cn1)N 62a_100000183359_100000737798 [0,1,0,0,0,1|2,0,0]=4 4022 B13R1.14 CNC(=O)CSc1ccc(cn1)N 62a_100000737798_100000183359 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.14 CNC(=O)CSc1ccc(cn1)O 62a_100000183359_100000744096 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.14 CNC(=O)CSc1ccc(cn1)O 62a_100000685995_100000183359 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.14 CNC(=O)CSc1ccc(nc1)Br 62a_100000183359_100009814638 [0,1,0,0,0,1|2,0,0]=4 4026 B13R1.14 CNC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000183359 [0,1,0,0,0,1|2,0,0]=4 4027 B13R1.14 CNC(=O)CSc1ccc(nc1)C 62a_100000183359_100000751577 [0,1,0,0,0,1|2,0,0]=4 4028 B13R1.14 CNC(=O)CSc1ccc(nc1)C 62a_100000751577_100000183359 [0,1,0,0,0,1|2,0,0]=4 4029 B13R1.14 CNC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000183359 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.14 CNC(=O)CSc1ccc(nc1)Cl 62a_100000183359_100000034144 [0,1,0,0,0,1|2,0,0]=4 4031 B13R1.14 CNC(=O)CSc1ccc(nc1)F 62a_100000042367_100000183359 [0,1,0,0,0,1|2,0,0]=4 4032 B13R1.14 CNC(=O)CSc1ccc(nc1)F 62a_100000183359_100000042367 [0,1,0,0,0,1|2,0,0]=4 4033 B13R1.14 CNC(=O)CSc1ccc(nc1)N 62a_100000183359_100000187370 [0,1,0,0,0,1|2,0,0]=4 4034 B13R1.14 CNC(=O)CSc1ccc(nc1)N 62a_100000187370_100000183359 [0,1,0,0,0,1|2,0,0]=4 4035 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_106832991635 [0,1,0,0,0,1|1,0,0]=3 4036 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100102657272_100000174875 [0,1,0,0,0,1|1,0,0]=3 4037 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100102657272 [0,1,0,0,0,1|1,0,0]=3 4038 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100102657272_100000174875 [0,1,0,0,0,1|1,0,0]=3 4039 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100102657272 [0,1,0,0,0,1|1,0,0]=3 4040 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_106832991638_100000174875 [0,1,0,0,0,1|1,0,0]=3 4041 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100000174908_106832991635 [0,1,0,0,0,1|1,0,0]=3 4042 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100102657272_100000174908 [0,1,0,0,0,1|1,0,0]=3 4043 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100102657272 [0,1,0,0,0,1|1,0,0]=3 4044 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100102657272_100000174908 [0,1,0,0,0,1|1,0,0]=3 4045 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_100000174908_100102657272 [0,1,0,0,0,1|1,0,0]=3 4046 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_106832991638_100000174908 [0,1,0,0,0,1|1,0,0]=3 4047 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_106832991635 [0,1,0,0,0,1|1,0,0]=3 4048 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100102657272_100000174871 [0,1,0,0,0,1|1,0,0]=3 4049 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100102657272 [0,1,0,0,0,1|1,0,0]=3 4050 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100102657272_100000174871 [0,1,0,0,0,1|1,0,0]=3 4051 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 512a_106832991638_100000174871 [0,1,0,0,0,1|1,0,0]=3 4052 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_106832991635 [0,1,0,0,0,1|1,0,0]=3 4053 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100102657272_100000174882 [0,1,0,0,0,1|1,0,0]=3 4054 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100102657272 [0,1,0,0,0,1|1,0,0]=3 4055 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100102657272_100000174882 [0,1,0,0,0,1|1,0,0]=3 4056 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100102657272 [0,1,0,0,0,1|1,0,0]=3 4057 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_106832991638_100000174882 [0,1,0,0,0,1|1,0,0]=3 4058 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_106832991635 [0,1,0,0,0,1|1,0,0]=3 4059 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100102657272_100016989417 [0,1,0,0,0,1|1,0,0]=3 4060 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100102657272 [0,1,0,0,0,1|1,0,0]=3 4061 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100102657272_100016989417 [0,1,0,0,0,1|1,0,0]=3 4062 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100102657272 [0,1,0,0,0,1|1,0,0]=3 4063 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_106832991638_100016989417 [0,1,0,0,0,1|1,0,0]=3 4064 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_106832991635 [0,1,0,0,0,1|1,0,0]=3 4065 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100102657272_100000185549 [0,1,0,0,0,1|1,0,0]=3 4066 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100102657272 [0,1,0,0,0,1|1,0,0]=3 4067 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100102657272_100000185549 [0,1,0,0,0,1|1,0,0]=3 4068 B13R1.14 CNC(=O)NCc1ccc(cc1)O 512a_106832991638_100000185549 [0,1,0,0,0,1|1,0,0]=3 4069 B13R1.14 CNC(=O)NCc1ccc(cn1)Br 2708a_100015188789_106832991635 [0,1,0,0,0,1|2,0,0]=4 4070 B13R1.14 CNC(=O)NCc1ccc(cn1)Br 2708a_100102657272_100015188789 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.14 CNC(=O)NCc1ccc(cn1)Br 273464a_100015188789_100102657272 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.14 CNC(=O)NCc1ccc(cn1)Br 273464a_100102657272_100015188789 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.14 CNC(=O)NCc1ccc(cn1)Br 512a_100015188789_100102657272 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.14 CNC(=O)NCc1ccc(cn1)Br 512a_106832991638_100015188789 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.14 CNC(=O)NCc1ccc(cn1)C 2708a_100015187455_106832991635 [0,1,0,0,0,1|2,0,0]=4 4076 B13R1.14 CNC(=O)NCc1ccc(cn1)C 2708a_100102657272_100015187455 [0,1,0,0,0,1|2,0,0]=4 4077 B13R1.14 CNC(=O)NCc1ccc(cn1)C 273464a_100015187455_100102657272 [0,1,0,0,0,1|2,0,0]=4 4078 B13R1.14 CNC(=O)NCc1ccc(cn1)C 273464a_100102657272_100015187455 [0,1,0,0,0,1|2,0,0]=4 4079 B13R1.14 CNC(=O)NCc1ccc(cn1)C 512a_100015187455_100102657272 [0,1,0,0,0,1|2,0,0]=4 4080 B13R1.14 CNC(=O)NCc1ccc(cn1)C 512a_106832991638_100015187455 [0,1,0,0,0,1|2,0,0]=4 4081 B13R1.14 CNC(=O)NCc1ccc(cn1)Cl 2708a_100000697193_106832991635 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.14 CNC(=O)NCc1ccc(cn1)Cl 2708a_100102657272_100000697193 [0,1,0,0,0,1|2,0,0]=4 4083 B13R1.14 CNC(=O)NCc1ccc(cn1)Cl 273464a_100000697193_100102657272 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.14 CNC(=O)NCc1ccc(cn1)Cl 273464a_100102657272_100000697193 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.14 CNC(=O)NCc1ccc(cn1)Cl 512a_100000697193_100102657272 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.14 CNC(=O)NCc1ccc(cn1)Cl 512a_106832991638_100000697193 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.14 CNC(=O)NCc1ccc(cn1)F 2708a_100020620131_106832991635 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.14 CNC(=O)NCc1ccc(cn1)F 2708a_100102657272_100020620131 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.14 CNC(=O)NCc1ccc(cn1)F 273464a_100020620131_100102657272 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.14 CNC(=O)NCc1ccc(cn1)F 273464a_100102657272_100020620131 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.14 CNC(=O)NCc1ccc(cn1)F 512a_100020620131_100102657272 [0,1,0,0,0,1|2,0,0]=4 4092 B13R1.14 CNC(=O)NCc1ccc(cn1)F 512a_106832991638_100020620131 [0,1,0,0,0,1|2,0,0]=4 4093 B13R1.14 CNC(=O)NCc1ccc(cn1)O 2708a_100020605196_106832991635 [0,1,0,0,0,1|2,0,0]=4 4094 B13R1.14 CNC(=O)NCc1ccc(cn1)O 2708a_100102657272_100020605196 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.14 CNC(=O)NCc1ccc(cn1)O 273464a_100020605196_100102657272 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.14 CNC(=O)NCc1ccc(cn1)O 273464a_100102657272_100020605196 [0,1,0,0,0,1|2,0,0]=4 4097 B13R1.14 CNC(=O)NCc1ccc(cn1)O 512a_106832991638_100020605196 [0,1,0,0,0,1|2,0,0]=4 4098 B13R1.14 CNC(=O)NCc1ccc(nc1)Br 2708a_100009817727_106832991635 [0,1,0,0,0,1|2,0,0]=4 4099 B13R1.14 CNC(=O)NCc1ccc(nc1)Br 2708a_100102657272_100009817727 [0,1,0,0,0,1|2,0,0]=4 4100 B13R1.14 CNC(=O)NCc1ccc(nc1)Br 273464a_100009817727_100102657272 [0,1,0,0,0,1|2,0,0]=4 4101 B13R1.14 CNC(=O)NCc1ccc(nc1)Br 273464a_100102657272_100009817727 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.14 CNC(=O)NCc1ccc(nc1)Br 512a_100009817727_100102657272 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.14 CNC(=O)NCc1ccc(nc1)Br 512a_106832991638_100009817727 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.14 CNC(=O)NCc1ccc(nc1)C 2708a_100000740942_106832991635 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.14 CNC(=O)NCc1ccc(nc1)C 2708a_100102657272_100000740942 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.14 CNC(=O)NCc1ccc(nc1)C 273464a_100000740942_100102657272 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.14 CNC(=O)NCc1ccc(nc1)C 273464a_100102657272_100000740942 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.14 CNC(=O)NCc1ccc(nc1)C 512a_100000740942_100102657272 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.14 CNC(=O)NCc1ccc(nc1)C 512a_106832991638_100000740942 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.14 CNC(=O)NCc1ccc(nc1)Cl 2708a_100000735879_106832991635 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.14 CNC(=O)NCc1ccc(nc1)Cl 2708a_100102657272_100000735879 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.14 CNC(=O)NCc1ccc(nc1)Cl 273464a_100000735879_100102657272 [0,1,0,0,0,1|2,0,0]=4 4113 B13R1.14 CNC(=O)NCc1ccc(nc1)Cl 273464a_100102657272_100000735879 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.14 CNC(=O)NCc1ccc(nc1)Cl 512a_100000735879_100102657272 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.14 CNC(=O)NCc1ccc(nc1)Cl 512a_106832991638_100000735879 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.14 CNC(=O)NCc1ccc(nc1)F 2708a_100000101913_106832991635 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.14 CNC(=O)NCc1ccc(nc1)F 2708a_100102657272_100000101913 [0,1,0,0,0,1|2,0,0]=4 4118 B13R1.14 CNC(=O)NCc1ccc(nc1)F 273464a_100000101913_100102657272 [0,1,0,0,0,1|2,0,0]=4 4119 B13R1.14 CNC(=O)NCc1ccc(nc1)F 273464a_100102657272_100000101913 [0,1,0,0,0,1|2,0,0]=4 4120 B13R1.14 CNC(=O)NCc1ccc(nc1)F 512a_100000101913_100102657272 [0,1,0,0,0,1|2,0,0]=4 4121 B13R1.14 CNC(=O)NCc1ccc(nc1)F 512a_106832991638_100000101913 [0,1,0,0,0,1|2,0,0]=4 4122 B13R1.14 CNC(=O)NCc1ccc(nc1)O 2708a_100000757128_106832991635 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.14 CNC(=O)NCc1ccc(nc1)O 2708a_100102657272_100000757128 [0,1,0,0,0,1|2,0,0]=4 4124 B13R1.14 CNC(=O)NCc1ccc(nc1)O 273464a_100000757128_100102657272 [0,1,0,0,0,1|2,0,0]=4 4125 B13R1.14 CNC(=O)NCc1ccc(nc1)O 273464a_100102657272_100000757128 [0,1,0,0,0,1|2,0,0]=4 4126 B13R1.14 CNC(=O)NCc1ccc(nc1)O 512a_106832991638_100000757128 [0,1,0,0,0,1|2,0,0]=4 4127 B13R1.14 CNC(=O)NNc1ccc(cc1)Br 273464a_100102657272_100000735608 [0,1,0,0,0,1|2,0,0]=4 4128 B13R1.14 CNC(=O)NNc1ccc(cc1)Br 512a_106832991638_100000735608 [0,1,0,0,0,1|2,0,0]=4 4129 B13R1.14 CNC(=O)NNc1ccc(cc1)C 273464a_100102657272_100000683527 [0,1,0,0,0,1|2,0,0]=4 4130 B13R1.14 CNC(=O)NNc1ccc(cc1)C 512a_106832991638_100000683527 [0,1,0,0,0,1|2,0,0]=4 4131 B13R1.14 CNC(=O)NNc1ccc(cc1)Cl 273464a_100102657272_100000683521 [0,1,0,0,0,1|2,0,0]=4 4132 B13R1.14 CNC(=O)NNc1ccc(cc1)Cl 512a_106832991638_100000683521 [0,1,0,0,0,1|2,0,0]=4 4133 B13R1.14 CNC(=O)NNc1ccc(cc1)F 273464a_100102657272_100000728448 [0,1,0,0,0,1|2,0,0]=4 4134 B13R1.14 CNC(=O)NNc1ccc(cc1)F 512a_106832991638_100000728448 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.14 CNC(=O)NNc1ccc(cc1)I 273464a_100102657272_100016988836 [0,1,0,0,0,1|2,0,0]=4 4136 B13R1.14 CNC(=O)NNc1ccc(cc1)I 512a_106832991638_100016988836 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,1,0,0,0,1|0,0,1]=3 4138 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,1,0,0,0,1|0,0,1]=3 4139 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,1,0,0,0,1|0,0,0]=2 4140 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,1,0,0,0,1|0,0,0]=2 4141 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,1,0,0,0,1|0,0,0]=2 4142 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,1,0,0,0,1|0,0,0]=2 4143 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,1,0,0,0,1|0,0,0]=2 4144 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,1,0,0,0,1|0,0,0]=2 4145 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,1,0,0,0,1|0,0,0]=2 4146 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,1,0,0,0,1|0,0,0]=2 4147 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,1,0,0,0,1|0,0,0]=2 4148 B13R1.14 COC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000747449 [0,1,0,0,0,1|1,0,0]=3 4149 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,1,0,0,0,1|0,0,0]=2 4150 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,1,0,0,0,1|0,0,0]=2 4151 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,1,0,0,0,1|0,0,0]=2 4152 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,1,0,0,0,1|0,0,0]=2 4153 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,1,0,0,0,1|0,0,0]=2 4154 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,1,0,0,0,1|0,0,0]=2 4155 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,1,0,0,0,1|0,0,0]=2 4156 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,1,0,0,0,1|0,0,0]=2 4157 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,1,0,0,0,1|0,0,0]=2 4158 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,1,0,0,0,1|0,0,0]=2 4159 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,1,0,0,0,1|0,0,0]=2 4160 B13R1.14 COC(=O)COc1ccc(cn1)C 34a_100000759353_100000747449 [0,1,0,0,0,1|1,0,0]=3 4161 B13R1.14 COC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000747449 [0,1,0,0,0,1|1,0,0]=3 4162 B13R1.14 COC(=O)COc1ccc(cn1)F 34a_100000742473_100000747449 [0,1,0,0,0,1|1,0,0]=3 4163 B13R1.14 COC(=O)COc1ccc(cn1)N 34a_100000729260_100000747449 [0,1,0,0,0,1|1,0,0]=3 4164 B13R1.14 COC(=O)COc1ccc(nc1)Br 34a_100000685995_100000747449 [0,1,0,0,0,1|1,0,0]=3 4165 B13R1.14 COC(=O)COc1ccc(nc1)Br 7a_100000685995_100000747449 [0,1,0,0,0,1|1,0,0]=3 4166 B13R1.14 COC(=O)COc1ccc(nc1)C 34a_100000745506_100000747449 [0,1,0,0,0,1|1,0,0]=3 4167 B13R1.14 COC(=O)COc1ccc(nc1)C 7a_100000745506_100000747449 [0,1,0,0,0,1|1,0,0]=3 4168 B13R1.14 COC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000747449 [0,1,0,0,0,1|1,0,0]=3 4169 B13R1.14 COC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747449 [0,1,0,0,0,1|1,0,0]=3 4170 B13R1.14 COC(=O)COc1ccc(nc1)F 34a_100000688820_100000747449 [0,1,0,0,0,1|1,0,0]=3 4171 B13R1.14 COC(=O)COc1ccc(nc1)F 7a_100000688820_100000747449 [0,1,0,0,0,1|1,0,0]=3 4172 B13R1.14 COC(=O)COc1ccc(nc1)I 34a_100000687607_100000747449 [0,1,0,0,0,1|1,0,0]=3 4173 B13R1.14 COC(=O)COc1ccc(nc1)I 7a_100000687607_100000747449 [0,1,0,0,0,1|1,0,0]=3 4174 B13R1.14 COC(=O)COc1ccc(nc1)N 34a_100015188713_100000747449 [0,1,0,0,0,1|1,0,0]=3 4175 B13R1.14 COC(=O)COc1ccc(nc1)N 7a_100015188713_100000747449 [0,1,0,0,0,1|1,0,0]=3 4176 B13R1.14 COC(=O)COc1ccc(nc1)O 271570a_203496583355_100010870986 [0,1,0,0,0,1|1,0,0]=3 4177 B13R1.14 COC(=O)COc1cnc(cn1)Br 34a_100011934580_100000747449 [0,1,0,0,0,1|2,0,0]=4 4178 B13R1.14 COC(=O)COc1cnc(cn1)Cl 34a_100015839800_100000747449 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.14 COC(=O)COc1cnc(nc1)Br 34a_100000730009_100000747449 [0,1,0,0,0,1|2,0,0]=4 4180 B13R1.14 COC(=O)COc1cnc(nc1)Br 7a_100000730009_100000747449 [0,1,0,0,0,1|2,0,0]=4 4181 B13R1.14 COC(=O)COc1cnc(nc1)C 34a_100000062939_100000747449 [0,1,0,0,0,1|2,0,0]=4 4182 B13R1.14 COC(=O)COc1cnc(nc1)C 7a_100000062939_100000747449 [0,1,0,0,0,1|2,0,0]=4 4183 B13R1.14 COC(=O)COc1cnc(nc1)Cl 34a_100000092845_100000747449 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.14 COC(=O)COc1cnc(nc1)Cl 7a_100000092845_100000747449 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.14 COC(=O)COc1cnc(nc1)F 34a_200009874573_100000747449 [0,1,0,0,0,1|2,0,0]=4 4186 B13R1.14 COC(=O)COc1cnc(nc1)F 7a_200009874573_100000747449 [0,1,0,0,0,1|2,0,0]=4 4187 B13R1.14 COC(=O)COc1cnc(nc1)N 34a_100000087137_100000747449 [0,1,0,0,0,1|2,0,0]=4 4188 B13R1.14 COC(=O)COc1cnc(nc1)N 7a_100000087137_100000747449 [0,1,0,0,0,1|2,0,0]=4 4189 B13R1.14 COC(=O)COc1ncc(cn1)F 34a_100011934040_100000747449 [0,1,0,0,0,1|2,0,0]=4 4190 B13R1.14 COC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747449_100000039755 [0,1,0,0,0,1|1,0,0]=3 4191 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747449 [0,1,0,0,0,1|1,0,0]=3 4192 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000747449_100000212171 [0,1,0,0,0,1|1,0,0]=3 4193 B13R1.14 COC(=O)CSc1ccc(=O)[nH]n1 62a_100000747449_100009820020 [0,1,0,0,0,1|2,0,0]=4 4194 B13R1.14 COC(=O)CSc1ccc(=O)[nH]n1 62a_100009820020_100000747449 [0,1,0,0,0,1|2,0,0]=4 4195 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,1,0,0,0,1|0,0,0]=2 4196 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,1,0,0,0,1|0,0,0]=2 4197 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,1,0,0,0,1|0,0,0]=2 4198 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,1,0,0,0,1|0,0,0]=2 4199 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,1,0,0,0,1|0,0,0]=2 4200 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,1,0,0,0,1|0,0,0]=2 4201 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,1,0,0,0,1|0,0,0]=2 4202 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,1,0,0,0,1|0,0,0]=2 4203 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,1,0,0,0,1|0,0,0]=2 4204 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,1,0,0,0,1|0,0,0]=2 4205 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,1,0,0,0,1|0,0,0]=2 4206 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747449 [0,1,0,0,0,1|1,0,0]=3 4207 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000747449_100000686858 [0,1,0,0,0,1|1,0,0]=3 4208 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100000747449_100000754016 [0,1,0,0,0,1|1,0,0]=3 4209 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100011192072_100000747449 [0,1,0,0,0,1|1,0,0]=3 4210 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100000747449_100011356976 [0,1,0,0,0,1|1,0,0]=3 4211 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747449 [0,1,0,0,0,1|1,0,0]=3 4212 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747449 [0,1,0,0,0,1|1,0,0]=3 4213 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000747449_100000744514 [0,1,0,0,0,1|1,0,0]=3 4214 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747449 [0,1,0,0,0,1|1,0,0]=3 4215 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000747449_100000737798 [0,1,0,0,0,1|1,0,0]=3 4216 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747449 [0,1,0,0,0,1|1,0,0]=3 4217 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000747449_100000744096 [0,1,0,0,0,1|1,0,0]=3 4218 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100000747449_100009814638 [0,1,0,0,0,1|1,0,0]=3 4219 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747449 [0,1,0,0,0,1|1,0,0]=3 4220 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000747449_100000751577 [0,1,0,0,0,1|1,0,0]=3 4221 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000751577_100000747449 [0,1,0,0,0,1|1,0,0]=3 4222 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747449 [0,1,0,0,0,1|1,0,0]=3 4223 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000747449_100000034144 [0,1,0,0,0,1|1,0,0]=3 4224 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747449 [0,1,0,0,0,1|1,0,0]=3 4225 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000747449_100000042367 [0,1,0,0,0,1|1,0,0]=3 4226 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747449 [0,1,0,0,0,1|1,0,0]=3 4227 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000747449_100000187370 [0,1,0,0,0,1|1,0,0]=3 4228 B13R1.14 COC(=O)CSc1ccc(nn1)C 62a_100000744512_100000747449 [0,1,0,0,0,1|2,0,0]=4 4229 B13R1.14 COC(=O)CSc1ccc(nn1)C 62a_100000747449_100000744512 [0,1,0,0,0,1|2,0,0]=4 4230 B13R1.14 COC(=O)CSc1ccc(nn1)Cl 62a_100000068654_100000747449 [0,1,0,0,0,1|2,0,0]=4 4231 B13R1.14 COC(=O)CSc1ccc(nn1)Cl 62a_100000747449_100000068654 [0,1,0,0,0,1|2,0,0]=4 4232 B13R1.14 COC(=O)CSc1ccc(nn1)N 62a_100000747449_100010219413 [0,1,0,0,0,1|2,0,0]=4 4233 B13R1.14 COC(=O)CSc1ccc(nn1)N 62a_100010219413_100000747449 [0,1,0,0,0,1|2,0,0]=4 4234 B13R1.14 COC(=O)CSc1cnc(=O)[nH]c1 62a_100000747449_102495366499 [0,1,0,0,0,1|2,0,0]=4 4235 B13R1.14 COC(=O)CSc1cnc(=O)[nH]c1 62a_102495366499_100000747449 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.14 COC(=O)CSc1cnc(cn1)Br 62a_100000747449_100010187541 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.14 COC(=O)CSc1cnc(cn1)Br 62a_100010187541_100000747449 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.14 COC(=O)CSc1cnc(cn1)C 62a_100000747449_100011999403 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.14 COC(=O)CSc1cnc(cn1)C 62a_100011999403_100000747449 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.14 COC(=O)CSc1cnc(cn1)Cl 62a_100000747449_100010214907 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.14 COC(=O)CSc1cnc(cn1)Cl 62a_100010214907_100000747449 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.14 COC(=O)CSc1cnc(cn1)F 62a_100000747449_100009856528 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.14 COC(=O)CSc1cnc(cn1)F 62a_100009856528_100000747449 [0,1,0,0,0,1|2,0,0]=4 4244 B13R1.14 COC(=O)CSc1cnc(cn1)N 62a_100000744751_100000747449 [0,1,0,0,0,1|2,0,0]=4 4245 B13R1.14 COC(=O)CSc1cnc(cn1)N 62a_100000747449_100000744751 [0,1,0,0,0,1|2,0,0]=4 4246 B13R1.14 COC(=O)CSc1cnc(cn1)O 62a_100000747449_100015839800 [0,1,0,0,0,1|2,0,0]=4 4247 B13R1.14 COC(=O)CSc1cnc(cn1)O 62a_100011934580_100000747449 [0,1,0,0,0,1|2,0,0]=4 4248 B13R1.14 COC(=O)CSc1cnc(nc1)Br 62a_100000747449_200012349914 [0,1,0,0,0,1|2,0,0]=4 4249 B13R1.14 COC(=O)CSc1cnc(nc1)Br 62a_200012349914_100000747449 [0,1,0,0,0,1|2,0,0]=4 4250 B13R1.14 COC(=O)CSc1cnc(nc1)C 62a_100000686985_100000747449 [0,1,0,0,0,1|2,0,0]=4 4251 B13R1.14 COC(=O)CSc1cnc(nc1)C 62a_100000747449_100000686985 [0,1,0,0,0,1|2,0,0]=4 4252 B13R1.14 COC(=O)CSc1cnc(nc1)Cl 62a_100000059775_100000747449 [0,1,0,0,0,1|2,0,0]=4 4253 B13R1.14 COC(=O)CSc1cnc(nc1)Cl 62a_100000747449_100000059775 [0,1,0,0,0,1|2,0,0]=4 4254 B13R1.14 COC(=O)CSc1cnc(nc1)F 62a_100000685262_100000747449 [0,1,0,0,0,1|2,0,0]=4 4255 B13R1.14 COC(=O)CSc1cnc(nc1)F 62a_100000747449_100000685262 [0,1,0,0,0,1|2,0,0]=4 4256 B13R1.14 COC(=O)CSc1cnc(nc1)N 62a_100000747449_100000766020 [0,1,0,0,0,1|2,0,0]=4 4257 B13R1.14 COC(=O)CSc1cnc(nc1)N 62a_100000766020_100000747449 [0,1,0,0,0,1|2,0,0]=4 4258 B13R1.14 COC(=O)CSc1ncc(cn1)Br 62a_100000690281_100000747449 [0,1,0,0,0,1|2,0,0]=4 4259 B13R1.14 COC(=O)CSc1ncc(cn1)Br 62a_100000747449_100000690281 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.14 COC(=O)CSc1ncc(cn1)C 62a_100000061069_100000747449 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.14 COC(=O)CSc1ncc(cn1)C 62a_100000747449_100000061069 [0,1,0,0,0,1|2,0,0]=4 4262 B13R1.14 COC(=O)CSc1ncc(cn1)Cl 62a_100000747449_100011356929 [0,1,0,0,0,1|2,0,0]=4 4263 B13R1.14 COC(=O)CSc1ncc(cn1)Cl 62a_100011356929_100000747449 [0,1,0,0,0,1|2,0,0]=4 4264 B13R1.14 COC(=O)CSc1ncc(cn1)F 62a_100000685220_100000747449 [0,1,0,0,0,1|2,0,0]=4 4265 B13R1.14 COC(=O)CSc1ncc(cn1)F 62a_100000747449_100000685220 [0,1,0,0,0,1|2,0,0]=4 4266 B13R1.14 COC(=O)CSc1ncc(cn1)N 62a_100000068403_100000747449 [0,1,0,0,0,1|2,0,0]=4 4267 B13R1.14 COC(=O)CSc1ncc(cn1)N 62a_100000747449_100000068403 [0,1,0,0,0,1|2,0,0]=4 4268 B13R1.14 COC(=O)CSc1ncc(cn1)O 62a_100000730009_100000747449 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.14 COC(=O)CSc1ncc(cn1)O 62a_100000747449_100000092845 [0,1,0,0,0,1|2,0,0]=4 4270 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,1,0,0,0,1|1,0,1]=4 4271 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,1,0,0,0,1|1,0,1]=4 4272 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100000189115_100009879195 [0,1,0,0,0,1|1,0,1]=4 4273 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100009879195_100000189115 [0,1,0,0,0,1|1,0,1]=4 4274 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100000210814_100009879195 [0,1,0,0,0,1|1,0,1]=4 4275 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100009879195_100000210814 [0,1,0,0,0,1|1,0,1]=4 4276 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100000187161_100009879195 [0,1,0,0,0,1|1,0,1]=4 4277 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100009879195_100000187161 [0,1,0,0,0,1|1,0,1]=4 4278 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100000198546_100009879195 [0,1,0,0,0,1|1,0,1]=4 4279 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100009879195_100000187164 [0,1,0,0,0,1|1,0,1]=4 4280 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100000189116_100009879195 [0,1,0,0,0,1|1,0,1]=4 4281 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100009879195_100000189116 [0,1,0,0,0,1|1,0,1]=4 4282 B13R1.14 Cc1ccc(cc1)CCC(=O)CF 1458a_100000234883_100015361967 [0,1,0,0,0,1|2,0,0]=4 4283 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,1,0,0,0,1|2,0,0]=4 4284 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,1,0,0,0,1|2,0,0]=4 4285 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,1,0,0,0,1|2,0,0]=4 4286 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,1,0,0,0,1|2,0,0]=4 4287 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,1,0,0,0,1|1,0,1]=4 4288 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,1,0,0,0,1|1,0,1]=4 4289 B13R1.14 Cc1ccc(cc1)SCC(=O)CF 1458a_100000179497_100015361967 [0,1,0,0,0,1|2,0,0]=4 4290 B13R1.14 NNC(=O)COc1ccc(cc1)O 271570a_203496583355_100000182278 [0,1,0,0,0,1|2,0,0]=4 4291 B13R1.14 O=C(CF)CCc1ccc(cc1)Br 1458a_100000217147_100015361967 [0,1,0,0,0,1|2,0,0]=4 4292 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,1,0,0,0,1|2,0,0]=4 4293 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [0,1,0,0,0,1|2,0,0]=4 4294 B13R1.14 O=C(CF)CCc1ccc(cc1)I 1458a_100011217499_100015361967 [0,1,0,0,0,1|2,0,0]=4 4295 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [0,1,0,0,0,1|2,0,0]=4 4296 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [0,1,0,0,0,1|2,0,0]=4 4297 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [0,1,0,0,0,1|2,0,0]=4 4298 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [0,1,0,0,0,1|2,0,0]=4 4299 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [0,1,0,0,0,1|2,0,0]=4 4300 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,1,0,0,0,1|2,0,0]=4 4301 B13R1.14 O=C(CF)CSc1ccc(cc1)Br 1458a_100000179496_100015361967 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.14 O=C(CF)CSc1ccc(cc1)Cl 1458a_100000178402_100015361967 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.14 O=C(CF)CSc1ccc(cc1)F 1458a_100000691584_100015361967 [0,1,0,0,0,1|2,0,0]=4 4304 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,1,0,0,0,1|2,0,0]=4 4305 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,1,0,0,0,1|2,0,0]=4 4306 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,1,0,0,0,1|2,0,0]=4 4307 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,1,0,0,0,1|2,0,0]=4 4309 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,1,0,0,0,1|2,0,0]=4 4311 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,1,0,0,0,1|2,0,0]=4 4312 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,1,0,0,0,1|2,0,0]=4 4313 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,1,0,0,0,1|2,0,0]=4 4314 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,1,0,0,0,1|2,0,0]=4 4315 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,1,0,0,0,1|2,0,0]=4 4316 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,1,0,0,0,1|2,0,0]=4 4317 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,1,0,0,0,1|2,0,0]=4 4318 B13R1.15 C#CC(=O)CCc1cccc(c1)Br 1458a_100000211873_100011740638 [0,1,0,0,0,1|1,0,1]=4 4319 B13R1.15 C#CC(=O)CCc1cccc(c1)C 1458a_100000211873_100011713685 [0,1,0,0,0,1|1,0,1]=4 4320 B13R1.15 C#CC(=O)CCc1cccc(c1)Cl 1458a_100000211873_100011713710 [0,1,0,0,0,1|1,0,1]=4 4321 B13R1.15 C#CC(=O)CCc1cccc(c1)F 1458a_100000211873_100011217235 [0,1,0,0,0,1|1,0,1]=4 4322 B13R1.15 C=CC(=O)CCc1cccc(c1)Br 1458a_100000185746_100011740638 [0,1,0,0,0,1|1,0,1]=4 4323 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [0,1,0,0,0,1|1,0,1]=4 4324 B13R1.15 C=CC(=O)CCc1cccc(c1)Cl 1458a_100000185746_100011713710 [0,1,0,0,0,1|1,0,1]=4 4325 B13R1.15 C=CC(=O)CCc1cccc(c1)F 1458a_100000185746_100011217235 [0,1,0,0,0,1|1,0,1]=4 4326 B13R1.15 C=CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000185746 [0,1,0,0,0,1|1,0,1]=4 4327 B13R1.15 C=CC(=O)NCc1cccc(c1)Br 240690a_100000174977_200121576911 [0,1,0,0,0,1|1,0,1]=4 4328 B13R1.15 C=CC(=O)NCc1cccc(c1)C 1626a_100000185548_100000185746 [0,1,0,0,0,1|1,0,1]=4 4329 B13R1.15 C=CC(=O)NCc1cccc(c1)C 240690a_100000185548_200121576911 [0,1,0,0,0,1|1,0,1]=4 4330 B13R1.15 C=CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000185746 [0,1,0,0,0,1|1,0,1]=4 4331 B13R1.15 C=CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_200121576911 [0,1,0,0,0,1|1,0,1]=4 4332 B13R1.15 C=CC(=O)NCc1cccc(c1)F 1626a_100000174948_100000185746 [0,1,0,0,0,1|1,0,1]=4 4333 B13R1.15 C=CC(=O)NCc1cccc(c1)F 240690a_100000174948_200121576911 [0,1,0,0,0,1|1,0,1]=4 4334 B13R1.15 C=CC(=O)NCc1cccc(c1)I 1626a_100000106179_100000185746 [0,1,0,0,0,1|1,0,1]=4 4335 B13R1.15 C=CC(=O)NCc1cccc(c1)I 240690a_100000106179_200121576911 [0,1,0,0,0,1|1,0,1]=4 4336 B13R1.15 C=CC(=O)NCc1cccc(c1)O 240690a_100000743036_200121576911 [0,1,0,0,0,1|1,0,1]=4 4337 B13R1.15 CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210202 [0,1,0,0,0,1|1,0,1]=4 4338 B13R1.15 CCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210202 [0,1,0,0,0,1|1,0,1]=4 4339 B13R1.15 CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210202 [0,1,0,0,0,1|1,0,1]=4 4340 B13R1.15 CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210202 [0,1,0,0,0,1|1,0,1]=4 4341 B13R1.15 CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210202 [0,1,0,0,0,1|1,0,1]=4 4342 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [0,1,0,0,0,1|1,0,1]=4 4343 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [0,1,0,0,0,1|1,0,1]=4 4344 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [0,1,0,0,0,1|1,0,1]=4 4345 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [0,1,0,0,0,1|1,0,1]=4 4346 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [0,1,0,0,0,1|1,0,1]=4 4347 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [0,1,0,0,0,1|1,0,1]=4 4348 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [0,1,0,0,0,1|1,0,1]=4 4349 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [0,1,0,0,0,1|1,0,1]=4 4350 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,1,0,0,0,1|1,0,0]=3 4351 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,1,0,0,0,1|1,0,0]=3 4352 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,1,0,0,0,1|1,0,0]=3 4353 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,1,0,0,0,1|1,0,0]=3 4354 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,1,0,0,0,1|1,0,0]=3 4355 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,1,0,0,0,1|1,0,0]=3 4356 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,1,0,0,0,1|1,0,0]=3 4357 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,1,0,0,0,1|1,0,0]=3 4358 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,1,0,0,0,1|1,0,0]=3 4359 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,1,0,0,0,1|1,0,0]=3 4360 B13R1.15 CCC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000747405 [0,1,0,0,0,1|2,0,0]=4 4361 B13R1.15 CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210202 [0,1,0,0,0,1|1,0,0]=3 4362 B13R1.15 CCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747405 [0,1,0,0,0,1|1,0,0]=3 4363 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [0,1,0,0,0,1|1,0,0]=3 4364 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [0,1,0,0,0,1|1,0,0]=3 4365 B13R1.15 CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210202 [0,1,0,0,0,1|1,0,0]=3 4366 B13R1.15 CCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747405 [0,1,0,0,0,1|1,0,0]=3 4367 B13R1.15 CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210202 [0,1,0,0,0,1|1,0,0]=3 4368 B13R1.15 CCC(=O)COc1cccc(c1)F 7a_100000210426_100000747405 [0,1,0,0,0,1|1,0,0]=3 4369 B13R1.15 CCC(=O)COc1cccc(c1)I 7a_100000211634_100000747405 [0,1,0,0,0,1|1,0,0]=3 4370 B13R1.15 CCC(=O)COc1cncc(c1)Br 7a_100000754920_100000747405 [0,1,0,0,0,1|2,0,0]=4 4371 B13R1.15 CCC(=O)COc1cncc(c1)C 7a_100011830280_100000747405 [0,1,0,0,0,1|2,0,0]=4 4372 B13R1.15 CCC(=O)COc1cncc(c1)Cl 7a_100000032511_100000747405 [0,1,0,0,0,1|2,0,0]=4 4373 B13R1.15 CCC(=O)COc1cncc(c1)F 7a_100011830296_100000747405 [0,1,0,0,0,1|2,0,0]=4 4374 B13R1.15 CCC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747405 [0,1,0,0,0,1|2,0,0]=4 4375 B13R1.15 CCC(=O)CSc1cc(ccn1)C 62a_100000747405_100000750283 [0,1,0,0,0,1|2,0,0]=4 4376 B13R1.15 CCC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747405 [0,1,0,0,0,1|2,0,0]=4 4377 B13R1.15 CCC(=O)CSc1cc(ccn1)Cl 62a_100000747405_100010167805 [0,1,0,0,0,1|2,0,0]=4 4378 B13R1.15 CCC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747405 [0,1,0,0,0,1|2,0,0]=4 4379 B13R1.15 CCC(=O)CSc1cc(ccn1)F 62a_100000747405_100000764206 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.15 CCC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747405 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.15 CCC(=O)CSc1cc(ccn1)N 62a_100000747405_100009814236 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.15 CCC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747405 [0,1,0,0,0,1|2,0,0]=4 4383 B13R1.15 CCC(=O)CSc1cc(ccn1)O 62a_100000747405_100000762945 [0,1,0,0,0,1|2,0,0]=4 4384 B13R1.15 CCC(=O)CSc1cc[nH]c(=O)c1 62a_100000747405_100009816521 [0,1,0,0,0,1|2,0,0]=4 4385 B13R1.15 CCC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747405 [0,1,0,0,0,1|2,0,0]=4 4386 B13R1.15 CCC(=O)CSc1ccc[n+](c1)C 62a_100000747405_100009996589 [0,1,0,0,0,1|2,0,0]=4 4387 B13R1.15 CCC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000747405 [0,1,0,0,0,1|2,0,0]=4 4388 B13R1.15 CCC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747405_100009815978 [0,1,0,0,0,1|2,0,0]=4 4389 B13R1.15 CCC(=O)CSc1cccc(=O)[nH]1 62a_100000747405_100000752884 [0,1,0,0,0,1|2,0,0]=4 4390 B13R1.15 CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210202 [0,1,0,0,0,1|1,0,0]=3 4391 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747405 [0,1,0,0,0,1|1,0,0]=3 4392 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000747405_100000691529 [0,1,0,0,0,1|1,0,0]=3 4393 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100000747405_100011215228 [0,1,0,0,0,1|1,0,0]=3 4394 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747405 [0,1,0,0,0,1|1,0,0]=3 4395 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747405 [0,1,0,0,0,1|1,0,0]=3 4396 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000747405_100000699651 [0,1,0,0,0,1|1,0,0]=3 4397 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747405 [0,1,0,0,0,1|1,0,0]=3 4398 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000747405_100000685547 [0,1,0,0,0,1|1,0,0]=3 4399 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747405 [0,1,0,0,0,1|1,0,0]=3 4400 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000747405_100000210019 [0,1,0,0,0,1|1,0,0]=3 4401 B13R1.15 CCC(=O)CSc1cccc(c1)O 62a_100000747405_100000211634 [0,1,0,0,0,1|1,0,0]=3 4402 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_100000747405_114929384022 [0,1,0,0,0,1|1,0,0]=3 4403 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747405 [0,1,0,0,0,1|1,0,0]=3 4404 B13R1.15 CCC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747405 [0,1,0,0,0,1|2,0,0]=4 4405 B13R1.15 CCC(=O)CSc1cccc(n1)Br 62a_100000747405_100000684672 [0,1,0,0,0,1|2,0,0]=4 4406 B13R1.15 CCC(=O)CSc1cccc(n1)C 62a_100000742759_100000747405 [0,1,0,0,0,1|2,0,0]=4 4407 B13R1.15 CCC(=O)CSc1cccc(n1)C 62a_100000747405_100000742759 [0,1,0,0,0,1|2,0,0]=4 4408 B13R1.15 CCC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747405 [0,1,0,0,0,1|2,0,0]=4 4409 B13R1.15 CCC(=O)CSc1cccc(n1)Cl 62a_100000747405_100000051397 [0,1,0,0,0,1|2,0,0]=4 4410 B13R1.15 CCC(=O)CSc1cccc(n1)F 62a_100000747405_100009815982 [0,1,0,0,0,1|2,0,0]=4 4411 B13R1.15 CCC(=O)CSc1cccc(n1)F 62a_100009815982_100000747405 [0,1,0,0,0,1|2,0,0]=4 4412 B13R1.15 CCC(=O)CSc1cccc(n1)N 62a_100000740741_100000747405 [0,1,0,0,0,1|2,0,0]=4 4413 B13R1.15 CCC(=O)CSc1cccc(n1)N 62a_100000747405_100000740741 [0,1,0,0,0,1|2,0,0]=4 4414 B13R1.15 CCC(=O)CSc1ccnc(c1)Br 62a_100000747405_100009814637 [0,1,0,0,0,1|2,0,0]=4 4415 B13R1.15 CCC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000747405 [0,1,0,0,0,1|2,0,0]=4 4416 B13R1.15 CCC(=O)CSc1ccnc(c1)C 62a_100000747405_100000758586 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.15 CCC(=O)CSc1ccnc(c1)C 62a_100000758586_100000747405 [0,1,0,0,0,1|2,0,0]=4 4418 B13R1.15 CCC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000747405 [0,1,0,0,0,1|2,0,0]=4 4419 B13R1.15 CCC(=O)CSc1ccnc(c1)Cl 62a_100000747405_100000035001 [0,1,0,0,0,1|2,0,0]=4 4420 B13R1.15 CCC(=O)CSc1ccnc(c1)F 62a_100000747405_100009816116 [0,1,0,0,0,1|2,0,0]=4 4421 B13R1.15 CCC(=O)CSc1ccnc(c1)F 62a_100009816116_100000747405 [0,1,0,0,0,1|2,0,0]=4 4422 B13R1.15 CCC(=O)CSc1ccnc(c1)N 62a_100000049665_100000747405 [0,1,0,0,0,1|2,0,0]=4 4423 B13R1.15 CCC(=O)CSc1ccnc(c1)N 62a_100000747405_100000049665 [0,1,0,0,0,1|2,0,0]=4 4424 B13R1.15 CCC(=O)CSc1cncc(c1)Br 62a_100000728054_100000747405 [0,1,0,0,0,1|2,0,0]=4 4425 B13R1.15 CCC(=O)CSc1cncc(c1)Br 62a_100000747405_100000728054 [0,1,0,0,0,1|2,0,0]=4 4426 B13R1.15 CCC(=O)CSc1cncc(c1)C 62a_100000747405_100000760492 [0,1,0,0,0,1|2,0,0]=4 4427 B13R1.15 CCC(=O)CSc1cncc(c1)C 62a_100000760492_100000747405 [0,1,0,0,0,1|2,0,0]=4 4428 B13R1.15 CCC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000747405 [0,1,0,0,0,1|2,0,0]=4 4429 B13R1.15 CCC(=O)CSc1cncc(c1)Cl 62a_100000747405_100000049639 [0,1,0,0,0,1|2,0,0]=4 4430 B13R1.15 CCC(=O)CSc1cncc(c1)F 62a_100000744099_100000747405 [0,1,0,0,0,1|2,0,0]=4 4431 B13R1.15 CCC(=O)CSc1cncc(c1)F 62a_100000747405_100000744099 [0,1,0,0,0,1|2,0,0]=4 4432 B13R1.15 CCC(=O)CSc1cncc(c1)N 62a_100000687067_100000747405 [0,1,0,0,0,1|2,0,0]=4 4433 B13R1.15 CCC(=O)CSc1cncc(c1)N 62a_100000747405_100000687067 [0,1,0,0,0,1|2,0,0]=4 4434 B13R1.15 CCC(=O)CSc1cncc(c1)O 62a_100000747405_100000754920 [0,1,0,0,0,1|2,0,0]=4 4435 B13R1.15 CCC(=O)CSc1cncc(c1)O 62a_100000754920_100000747405 [0,1,0,0,0,1|2,0,0]=4 4436 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 11a_100009818019_100000210414 [0,1,0,0,0,1|2,0,0]=4 4437 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100000210414 [0,1,0,0,0,1|2,0,0]=4 4438 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100000210414 [0,1,0,0,0,1|2,0,0]=4 4439 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 527a_100009818019_100000210414 [0,1,0,0,0,1|2,0,0]=4 4440 B13R1.15 CCC(=O)NCc1cc(ccn1)C 11a_100011934573_100000210414 [0,1,0,0,0,1|2,0,0]=4 4441 B13R1.15 CCC(=O)NCc1cc(ccn1)C 1626a_100011934573_100000210414 [0,1,0,0,0,1|2,0,0]=4 4442 B13R1.15 CCC(=O)NCc1cc(ccn1)C 240690a_100011934573_100000210414 [0,1,0,0,0,1|2,0,0]=4 4443 B13R1.15 CCC(=O)NCc1cc(ccn1)C 527a_100011934573_100000210414 [0,1,0,0,0,1|2,0,0]=4 4444 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100000210414 [0,1,0,0,0,1|2,0,0]=4 4445 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100000210414 [0,1,0,0,0,1|2,0,0]=4 4446 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100000210414 [0,1,0,0,0,1|2,0,0]=4 4447 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100000210414 [0,1,0,0,0,1|2,0,0]=4 4448 B13R1.15 CCC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100000210414 [0,1,0,0,0,1|2,0,0]=4 4449 B13R1.15 CCC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100000210414 [0,1,0,0,0,1|2,0,0]=4 4450 B13R1.15 CCC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100000210414 [0,1,0,0,0,1|2,0,0]=4 4451 B13R1.15 CCC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100000210414 [0,1,0,0,0,1|2,0,0]=4 4452 B13R1.15 CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210414 [0,1,0,0,0,1|1,0,0]=3 4453 B13R1.15 CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210414 [0,1,0,0,0,1|1,0,0]=3 4454 B13R1.15 CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210414 [0,1,0,0,0,1|1,0,0]=3 4455 B13R1.15 CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210414 [0,1,0,0,0,1|1,0,0]=3 4456 B13R1.15 CCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210414 [0,1,0,0,0,1|1,0,0]=3 4457 B13R1.15 CCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210414 [0,1,0,0,0,1|1,0,0]=3 4458 B13R1.15 CCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210414 [0,1,0,0,0,1|1,0,0]=3 4459 B13R1.15 CCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210414 [0,1,0,0,0,1|1,0,0]=3 4460 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210414 [0,1,0,0,0,1|1,0,0]=3 4461 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210414 [0,1,0,0,0,1|1,0,0]=3 4462 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210414 [0,1,0,0,0,1|1,0,0]=3 4463 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210414 [0,1,0,0,0,1|1,0,0]=3 4464 B13R1.15 CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210414 [0,1,0,0,0,1|1,0,0]=3 4465 B13R1.15 CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210414 [0,1,0,0,0,1|1,0,0]=3 4466 B13R1.15 CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210414 [0,1,0,0,0,1|1,0,0]=3 4467 B13R1.15 CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210414 [0,1,0,0,0,1|1,0,0]=3 4468 B13R1.15 CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4469 B13R1.15 CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4470 B13R1.15 CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4471 B13R1.15 CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4472 B13R1.15 CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210414 [0,1,0,0,0,1|1,0,0]=3 4473 B13R1.15 CCC(=O)NCc1cccc(c1)O 271570a_203496583355_200011236840 [0,1,0,0,0,1|1,0,0]=3 4474 B13R1.15 CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210414 [0,1,0,0,0,1|1,0,0]=3 4475 B13R1.15 CCC(=O)NCc1cccc(n1)Br 11a_100016987751_100000210414 [0,1,0,0,0,1|2,0,0]=4 4476 B13R1.15 CCC(=O)NCc1cccc(n1)Br 1626a_100016987751_100000210414 [0,1,0,0,0,1|2,0,0]=4 4477 B13R1.15 CCC(=O)NCc1cccc(n1)Br 240690a_100016987751_100000210414 [0,1,0,0,0,1|2,0,0]=4 4478 B13R1.15 CCC(=O)NCc1cccc(n1)Br 527a_100016987751_100000210414 [0,1,0,0,0,1|2,0,0]=4 4479 B13R1.15 CCC(=O)NCc1cccc(n1)C 11a_100000701342_100000210414 [0,1,0,0,0,1|2,0,0]=4 4480 B13R1.15 CCC(=O)NCc1cccc(n1)C 1626a_100000701342_100000210414 [0,1,0,0,0,1|2,0,0]=4 4481 B13R1.15 CCC(=O)NCc1cccc(n1)C 240690a_100000701342_100000210414 [0,1,0,0,0,1|2,0,0]=4 4482 B13R1.15 CCC(=O)NCc1cccc(n1)C 527a_100000701342_100000210414 [0,1,0,0,0,1|2,0,0]=4 4483 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 11a_100016990191_100000210414 [0,1,0,0,0,1|2,0,0]=4 4484 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100000210414 [0,1,0,0,0,1|2,0,0]=4 4485 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100000210414 [0,1,0,0,0,1|2,0,0]=4 4486 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 527a_100016990191_100000210414 [0,1,0,0,0,1|2,0,0]=4 4487 B13R1.15 CCC(=O)NCc1cccc(n1)F 11a_100015188798_100000210414 [0,1,0,0,0,1|2,0,0]=4 4488 B13R1.15 CCC(=O)NCc1cccc(n1)F 1626a_100015188798_100000210414 [0,1,0,0,0,1|2,0,0]=4 4489 B13R1.15 CCC(=O)NCc1cccc(n1)F 240690a_100015188798_100000210414 [0,1,0,0,0,1|2,0,0]=4 4490 B13R1.15 CCC(=O)NCc1cccc(n1)F 527a_100015188798_100000210414 [0,1,0,0,0,1|2,0,0]=4 4491 B13R1.15 CCC(=O)NCc1ccnc(c1)Br 11a_100025757509_100000210414 [0,1,0,0,0,1|2,0,0]=4 4492 B13R1.15 CCC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100000210414 [0,1,0,0,0,1|2,0,0]=4 4493 B13R1.15 CCC(=O)NCc1ccnc(c1)Br 527a_100025757509_100000210414 [0,1,0,0,0,1|2,0,0]=4 4494 B13R1.15 CCC(=O)NCc1ccnc(c1)C 11a_100011934566_100000210414 [0,1,0,0,0,1|2,0,0]=4 4495 B13R1.15 CCC(=O)NCc1ccnc(c1)C 1626a_100011934566_100000210414 [0,1,0,0,0,1|2,0,0]=4 4496 B13R1.15 CCC(=O)NCc1ccnc(c1)C 240690a_100011934566_100000210414 [0,1,0,0,0,1|2,0,0]=4 4497 B13R1.15 CCC(=O)NCc1ccnc(c1)C 527a_100011934566_100000210414 [0,1,0,0,0,1|2,0,0]=4 4498 B13R1.15 CCC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100000210414 [0,1,0,0,0,1|2,0,0]=4 4499 B13R1.15 CCC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100000210414 [0,1,0,0,0,1|2,0,0]=4 4500 B13R1.15 CCC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100000210414 [0,1,0,0,0,1|2,0,0]=4 4501 B13R1.15 CCC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100000210414 [0,1,0,0,0,1|2,0,0]=4 4502 B13R1.15 CCC(=O)NCc1ccnc(c1)F 11a_100015188774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4503 B13R1.15 CCC(=O)NCc1ccnc(c1)F 1626a_100015188774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4504 B13R1.15 CCC(=O)NCc1ccnc(c1)F 240690a_100015188774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4505 B13R1.15 CCC(=O)NCc1ccnc(c1)F 527a_100015188774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4506 B13R1.15 CCC(=O)NCc1ccnc(c1)O 11a_100000748557_100000210414 [0,1,0,0,0,1|2,0,0]=4 4507 B13R1.15 CCC(=O)NCc1ccnc(c1)O 240690a_100000748557_100000210414 [0,1,0,0,0,1|2,0,0]=4 4508 B13R1.15 CCC(=O)NCc1ccnc(c1)O 527a_100000748557_100000210414 [0,1,0,0,0,1|2,0,0]=4 4509 B13R1.15 CCC(=O)NCc1cncc(c1)Br 11a_100011249555_100000210414 [0,1,0,0,0,1|2,0,0]=4 4510 B13R1.15 CCC(=O)NCc1cncc(c1)Br 240690a_100011249555_100000210414 [0,1,0,0,0,1|2,0,0]=4 4511 B13R1.15 CCC(=O)NCc1cncc(c1)Br 527a_100011249555_100000210414 [0,1,0,0,0,1|2,0,0]=4 4512 B13R1.15 CCC(=O)NCc1cncc(c1)C 11a_100000692839_100000210414 [0,1,0,0,0,1|2,0,0]=4 4513 B13R1.15 CCC(=O)NCc1cncc(c1)C 1626a_100000692839_100000210414 [0,1,0,0,0,1|2,0,0]=4 4514 B13R1.15 CCC(=O)NCc1cncc(c1)C 240690a_100000692839_100000210414 [0,1,0,0,0,1|2,0,0]=4 4515 B13R1.15 CCC(=O)NCc1cncc(c1)C 527a_100000692839_100000210414 [0,1,0,0,0,1|2,0,0]=4 4516 B13R1.15 CCC(=O)NCc1cncc(c1)Cl 11a_200020614424_100000210414 [0,1,0,0,0,1|2,0,0]=4 4517 B13R1.15 CCC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100000210414 [0,1,0,0,0,1|2,0,0]=4 4518 B13R1.15 CCC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100000210414 [0,1,0,0,0,1|2,0,0]=4 4519 B13R1.15 CCC(=O)NCc1cncc(c1)Cl 527a_200020614424_100000210414 [0,1,0,0,0,1|2,0,0]=4 4520 B13R1.15 CCC(=O)NCc1cncc(c1)F 11a_100011962886_100000210414 [0,1,0,0,0,1|2,0,0]=4 4521 B13R1.15 CCC(=O)NCc1cncc(c1)F 1626a_100011962886_100000210414 [0,1,0,0,0,1|2,0,0]=4 4522 B13R1.15 CCC(=O)NCc1cncc(c1)F 240690a_100011962886_100000210414 [0,1,0,0,0,1|2,0,0]=4 4523 B13R1.15 CCC(=O)NCc1cncc(c1)F 527a_100011962886_100000210414 [0,1,0,0,0,1|2,0,0]=4 4524 B13R1.15 CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210414 [0,1,0,0,0,1|2,0,0]=4 4525 B13R1.15 CCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210414 [0,1,0,0,0,1|2,0,0]=4 4526 B13R1.15 CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210414 [0,1,0,0,0,1|2,0,0]=4 4527 B13R1.15 CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210414 [0,1,0,0,0,1|2,0,0]=4 4528 B13R1.15 CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210414 [0,1,0,0,0,1|2,0,0]=4 4529 B13R1.15 CNC(=O)C#Cc1cccc(c1)C 240690a_100102657272_100011892726 [0,1,0,0,0,1|1,0,1]=4 4530 B13R1.15 CNC(=O)C#Cc1cccc(c1)Cl 240690a_100102657272_100011892777 [0,1,0,0,0,1|1,0,1]=4 4531 B13R1.15 CNC(=O)C#Cc1cccc(c1)F 240690a_100102657272_100011892744 [0,1,0,0,0,1|1,0,1]=4 4532 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [0,1,0,0,0,1|1,0,1]=4 4533 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [0,1,0,0,0,1|1,0,1]=4 4534 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [0,1,0,0,0,1|1,0,1]=4 4535 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,1,0,0,0,1|1,0,1]=4 4536 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,1,0,0,0,1|1,0,1]=4 4537 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,1,0,0,0,1|1,0,1]=4 4538 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [0,1,0,0,0,1|1,0,1]=4 4539 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [0,1,0,0,0,1|1,0,1]=4 4540 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [0,1,0,0,0,1|1,0,1]=4 4541 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [0,1,0,0,0,1|1,0,1]=4 4542 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [0,1,0,0,0,1|1,0,1]=4 4543 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [0,1,0,0,0,1|1,0,1]=4 4544 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [0,1,0,0,0,1|1,0,1]=4 4545 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [0,1,0,0,0,1|1,0,1]=4 4546 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [0,1,0,0,0,1|1,0,1]=4 4547 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,1,0,0,0,1|1,0,0]=3 4548 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,1,0,0,0,1|1,0,0]=3 4549 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,1,0,0,0,1|1,0,0]=3 4550 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,1,0,0,0,1|1,0,0]=3 4551 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,1,0,0,0,1|1,0,0]=3 4552 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,1,0,0,0,1|1,0,0]=3 4553 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,1,0,0,0,1|1,0,0]=3 4554 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,1,0,0,0,1|1,0,0]=3 4555 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,1,0,0,0,1|1,0,0]=3 4556 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,1,0,0,0,1|1,0,0]=3 4557 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,1,0,0,0,1|1,0,0]=3 4558 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,1,0,0,0,1|1,0,0]=3 4559 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,1,0,0,0,1|1,0,0]=3 4560 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,1,0,0,0,1|1,0,0]=3 4561 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,1,0,0,0,1|1,0,0]=3 4562 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,1,0,0,0,1|1,0,0]=3 4563 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,1,0,0,0,1|1,0,0]=3 4564 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,1,0,0,0,1|1,0,0]=3 4565 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,1,0,0,0,1|1,0,0]=3 4566 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,1,0,0,0,1|1,0,0]=3 4567 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,1,0,0,0,1|1,0,0]=3 4568 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,1,0,0,0,1|1,0,0]=3 4569 B13R1.15 CNC(=O)CNc1cc(ccn1)F 27a_100000693194_100000764206 [0,1,0,0,0,1|2,0,0]=4 4570 B13R1.15 CNC(=O)CNc1cc[nH]c(=O)c1 27a_100000693194_100000061649 [0,1,0,0,0,1|2,0,0]=4 4571 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,1,0,0,0,1|1,0,0]=3 4572 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,1,0,0,0,1|1,0,0]=3 4573 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,1,0,0,0,1|1,0,0]=3 4574 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,1,0,0,0,1|1,0,0]=3 4575 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,1,0,0,0,1|1,0,0]=3 4576 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,1,0,0,0,1|1,0,0]=3 4577 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,1,0,0,0,1|1,0,0]=3 4578 B13R1.15 CNC(=O)CNc1cccc(n1)F 27a_100000693194_100009815982 [0,1,0,0,0,1|2,0,0]=4 4579 B13R1.15 CNC(=O)CNc1ccnc(c1)C 27a_100000693194_100000758586 [0,1,0,0,0,1|2,0,0]=4 4580 B13R1.15 CNC(=O)CNc1ccnc(c1)F 27a_100000693194_100009816116 [0,1,0,0,0,1|2,0,0]=4 4581 B13R1.15 CNC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000183359 [0,1,0,0,0,1|2,0,0]=4 4582 B13R1.15 CNC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000183359 [0,1,0,0,0,1|2,0,0]=4 4583 B13R1.15 CNC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000183359 [0,1,0,0,0,1|2,0,0]=4 4584 B13R1.15 CNC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000183359 [0,1,0,0,0,1|2,0,0]=4 4585 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,1,0,0,0,1|1,0,0]=3 4586 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,1,0,0,0,1|1,0,0]=3 4587 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,1,0,0,0,1|1,0,0]=3 4588 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,1,0,0,0,1|1,0,0]=3 4589 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,1,0,0,0,1|1,0,0]=3 4590 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,1,0,0,0,1|1,0,0]=3 4591 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,1,0,0,0,1|1,0,0]=3 4592 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,1,0,0,0,1|1,0,0]=3 4593 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,1,0,0,0,1|1,0,0]=3 4594 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,1,0,0,0,1|1,0,0]=3 4595 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,1,0,0,0,1|1,0,0]=3 4596 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,1,0,0,0,1|1,0,0]=3 4597 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,1,0,0,0,1|1,0,0]=3 4598 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,1,0,0,0,1|1,0,0]=3 4599 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,1,0,0,0,1|1,0,0]=3 4600 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,1,0,0,0,1|1,0,0]=3 4601 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,1,0,0,0,1|1,0,0]=3 4602 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,1,0,0,0,1|1,0,0]=3 4603 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,1,0,0,0,1|1,0,0]=3 4604 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,1,0,0,0,1|1,0,0]=3 4605 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,1,0,0,0,1|1,0,0]=3 4606 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,1,0,0,0,1|1,0,0]=3 4607 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,1,0,0,0,1|1,0,0]=3 4608 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,1,0,0,0,1|1,0,0]=3 4609 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,1,0,0,0,1|1,0,0]=3 4610 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,1,0,0,0,1|1,0,0]=3 4611 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,1,0,0,0,1|1,0,0]=3 4612 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,1,0,0,0,1|1,0,0]=3 4613 B13R1.15 CNC(=O)COc1cccc(n1)F 34a_100011432558_100000183359 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.15 CNC(=O)COc1ccnc(c1)C 34a_100000688365_100000183359 [0,1,0,0,0,1|2,0,0]=4 4615 B13R1.15 CNC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000183359 [0,1,0,0,0,1|2,0,0]=4 4616 B13R1.15 CNC(=O)COc1ccnc(c1)F 34a_100000732698_100000183359 [0,1,0,0,0,1|2,0,0]=4 4617 B13R1.15 CNC(=O)COc1ccnc(c1)N 34a_100011834064_100000183359 [0,1,0,0,0,1|2,0,0]=4 4618 B13R1.15 CNC(=O)COc1cncc(c1)Br 34a_100000754920_100000183359 [0,1,0,0,0,1|2,0,0]=4 4619 B13R1.15 CNC(=O)COc1cncc(c1)Br 7a_100000754920_100000183359 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.15 CNC(=O)COc1cncc(c1)C 34a_100011830280_100000183359 [0,1,0,0,0,1|2,0,0]=4 4621 B13R1.15 CNC(=O)COc1cncc(c1)C 7a_100011830280_100000183359 [0,1,0,0,0,1|2,0,0]=4 4622 B13R1.15 CNC(=O)COc1cncc(c1)Cl 7a_100000032511_100000183359 [0,1,0,0,0,1|2,0,0]=4 4623 B13R1.15 CNC(=O)COc1cncc(c1)F 34a_100011830296_100000183359 [0,1,0,0,0,1|2,0,0]=4 4624 B13R1.15 CNC(=O)COc1cncc(c1)F 7a_100011830296_100000183359 [0,1,0,0,0,1|2,0,0]=4 4625 B13R1.15 CNC(=O)COc1cncc(c1)N 34a_100011997051_100000183359 [0,1,0,0,0,1|2,0,0]=4 4626 B13R1.15 CNC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000183359 [0,1,0,0,0,1|2,0,0]=4 4627 B13R1.15 CNC(=O)CSc1cc(ccn1)C 62a_100000183359_100000750283 [0,1,0,0,0,1|2,0,0]=4 4628 B13R1.15 CNC(=O)CSc1cc(ccn1)C 62a_100000750283_100000183359 [0,1,0,0,0,1|2,0,0]=4 4629 B13R1.15 CNC(=O)CSc1cc(ccn1)Cl 62a_100000183359_100010167805 [0,1,0,0,0,1|2,0,0]=4 4630 B13R1.15 CNC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000183359 [0,1,0,0,0,1|2,0,0]=4 4631 B13R1.15 CNC(=O)CSc1cc(ccn1)F 62a_100000183359_100000764206 [0,1,0,0,0,1|2,0,0]=4 4632 B13R1.15 CNC(=O)CSc1cc(ccn1)F 62a_100000764206_100000183359 [0,1,0,0,0,1|2,0,0]=4 4633 B13R1.15 CNC(=O)CSc1cc(ccn1)N 62a_100000183359_100009814236 [0,1,0,0,0,1|2,0,0]=4 4634 B13R1.15 CNC(=O)CSc1cc(ccn1)N 62a_100009814236_100000183359 [0,1,0,0,0,1|2,0,0]=4 4635 B13R1.15 CNC(=O)CSc1cc(ccn1)O 62a_100000183359_100000762945 [0,1,0,0,0,1|2,0,0]=4 4636 B13R1.15 CNC(=O)CSc1cc[nH]c(=O)c1 62a_100000183359_100009816521 [0,1,0,0,0,1|2,0,0]=4 4637 B13R1.15 CNC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000183359 [0,1,0,0,0,1|2,0,0]=4 4638 B13R1.15 CNC(=O)CSc1ccc[n+](c1)C 62a_100000183359_100009996589 [0,1,0,0,0,1|2,0,0]=4 4639 B13R1.15 CNC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000183359 [0,1,0,0,0,1|2,0,0]=4 4640 B13R1.15 CNC(=O)CSc1ccc[n+](c1)[O-] 62a_100000183359_100009815978 [0,1,0,0,0,1|2,0,0]=4 4641 B13R1.15 CNC(=O)CSc1cccc(=O)[nH]1 62a_100000183359_100000752884 [0,1,0,0,0,1|2,0,0]=4 4642 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,1,0,0,0,1|1,0,0]=3 4643 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,1,0,0,0,1|1,0,0]=3 4644 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,1,0,0,0,1|1,0,0]=3 4645 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,1,0,0,0,1|1,0,0]=3 4646 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,1,0,0,0,1|1,0,0]=3 4647 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,1,0,0,0,1|1,0,0]=3 4648 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,1,0,0,0,1|1,0,0]=3 4649 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,1,0,0,0,1|1,0,0]=3 4650 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,1,0,0,0,1|1,0,0]=3 4651 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,1,0,0,0,1|1,0,0]=3 4652 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,1,0,0,0,1|1,0,0]=3 4653 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,1,0,0,0,1|1,0,0]=3 4654 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,1,0,0,0,1|1,0,0]=3 4655 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,1,0,0,0,1|1,0,0]=3 4656 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,1,0,0,0,1|1,0,0]=3 4657 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,1,0,0,0,1|1,0,0]=3 4658 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,1,0,0,0,1|1,0,0]=3 4659 B13R1.15 CNC(=O)CSc1cccc(n1)Br 62a_100000183359_100000684672 [0,1,0,0,0,1|2,0,0]=4 4660 B13R1.15 CNC(=O)CSc1cccc(n1)Br 62a_100000684672_100000183359 [0,1,0,0,0,1|2,0,0]=4 4661 B13R1.15 CNC(=O)CSc1cccc(n1)C 62a_100000183359_100000742759 [0,1,0,0,0,1|2,0,0]=4 4662 B13R1.15 CNC(=O)CSc1cccc(n1)C 62a_100000742759_100000183359 [0,1,0,0,0,1|2,0,0]=4 4663 B13R1.15 CNC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000183359 [0,1,0,0,0,1|2,0,0]=4 4664 B13R1.15 CNC(=O)CSc1cccc(n1)Cl 62a_100000183359_100000051397 [0,1,0,0,0,1|2,0,0]=4 4665 B13R1.15 CNC(=O)CSc1cccc(n1)F 62a_100000183359_100009815982 [0,1,0,0,0,1|2,0,0]=4 4666 B13R1.15 CNC(=O)CSc1cccc(n1)F 62a_100009815982_100000183359 [0,1,0,0,0,1|2,0,0]=4 4667 B13R1.15 CNC(=O)CSc1cccc(n1)N 62a_100000183359_100000740741 [0,1,0,0,0,1|2,0,0]=4 4668 B13R1.15 CNC(=O)CSc1cccc(n1)N 62a_100000740741_100000183359 [0,1,0,0,0,1|2,0,0]=4 4669 B13R1.15 CNC(=O)CSc1ccnc(c1)Br 62a_100000183359_100009814637 [0,1,0,0,0,1|2,0,0]=4 4670 B13R1.15 CNC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000183359 [0,1,0,0,0,1|2,0,0]=4 4671 B13R1.15 CNC(=O)CSc1ccnc(c1)C 62a_100000183359_100000758586 [0,1,0,0,0,1|2,0,0]=4 4672 B13R1.15 CNC(=O)CSc1ccnc(c1)C 62a_100000758586_100000183359 [0,1,0,0,0,1|2,0,0]=4 4673 B13R1.15 CNC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000183359 [0,1,0,0,0,1|2,0,0]=4 4674 B13R1.15 CNC(=O)CSc1ccnc(c1)Cl 62a_100000183359_100000035001 [0,1,0,0,0,1|2,0,0]=4 4675 B13R1.15 CNC(=O)CSc1ccnc(c1)F 62a_100000183359_100009816116 [0,1,0,0,0,1|2,0,0]=4 4676 B13R1.15 CNC(=O)CSc1ccnc(c1)F 62a_100009816116_100000183359 [0,1,0,0,0,1|2,0,0]=4 4677 B13R1.15 CNC(=O)CSc1ccnc(c1)N 62a_100000049665_100000183359 [0,1,0,0,0,1|2,0,0]=4 4678 B13R1.15 CNC(=O)CSc1ccnc(c1)N 62a_100000183359_100000049665 [0,1,0,0,0,1|2,0,0]=4 4679 B13R1.15 CNC(=O)CSc1cncc(c1)Br 62a_100000183359_100000728054 [0,1,0,0,0,1|2,0,0]=4 4680 B13R1.15 CNC(=O)CSc1cncc(c1)Br 62a_100000728054_100000183359 [0,1,0,0,0,1|2,0,0]=4 4681 B13R1.15 CNC(=O)CSc1cncc(c1)C 62a_100000183359_100000760492 [0,1,0,0,0,1|2,0,0]=4 4682 B13R1.15 CNC(=O)CSc1cncc(c1)C 62a_100000760492_100000183359 [0,1,0,0,0,1|2,0,0]=4 4683 B13R1.15 CNC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000183359 [0,1,0,0,0,1|2,0,0]=4 4684 B13R1.15 CNC(=O)CSc1cncc(c1)Cl 62a_100000183359_100000049639 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.15 CNC(=O)CSc1cncc(c1)F 62a_100000183359_100000744099 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.15 CNC(=O)CSc1cncc(c1)F 62a_100000744099_100000183359 [0,1,0,0,0,1|2,0,0]=4 4687 B13R1.15 CNC(=O)CSc1cncc(c1)N 62a_100000183359_100000687067 [0,1,0,0,0,1|2,0,0]=4 4688 B13R1.15 CNC(=O)CSc1cncc(c1)N 62a_100000687067_100000183359 [0,1,0,0,0,1|2,0,0]=4 4689 B13R1.15 CNC(=O)CSc1cncc(c1)O 62a_100000183359_100000754920 [0,1,0,0,0,1|2,0,0]=4 4690 B13R1.15 CNC(=O)CSc1cncc(c1)O 62a_100000754920_100000183359 [0,1,0,0,0,1|2,0,0]=4 4691 B13R1.15 CNC(=O)NCc1cc(ccn1)Br 2708a_100009818019_106832991635 [0,1,0,0,0,1|2,0,0]=4 4692 B13R1.15 CNC(=O)NCc1cc(ccn1)Br 2708a_100102657272_100009818019 [0,1,0,0,0,1|2,0,0]=4 4693 B13R1.15 CNC(=O)NCc1cc(ccn1)Br 273464a_100009818019_100102657272 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.15 CNC(=O)NCc1cc(ccn1)Br 273464a_100102657272_100009818019 [0,1,0,0,0,1|2,0,0]=4 4695 B13R1.15 CNC(=O)NCc1cc(ccn1)Br 512a_100009818019_100102657272 [0,1,0,0,0,1|2,0,0]=4 4696 B13R1.15 CNC(=O)NCc1cc(ccn1)Br 512a_106832991638_100009818019 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100011934573_106832991635 [0,1,0,0,0,1|2,0,0]=4 4698 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100102657272_100011934573 [0,1,0,0,0,1|2,0,0]=4 4699 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100011934573_100102657272 [0,1,0,0,0,1|2,0,0]=4 4700 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100102657272_100011934573 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_100011934573_100102657272 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_106832991638_100011934573 [0,1,0,0,0,1|2,0,0]=4 4703 B13R1.15 CNC(=O)NCc1cc(ccn1)Cl 2708a_100102657272_100000085674 [0,1,0,0,0,1|2,0,0]=4 4704 B13R1.15 CNC(=O)NCc1cc(ccn1)Cl 273464a_100102657272_100000085674 [0,1,0,0,0,1|2,0,0]=4 4705 B13R1.15 CNC(=O)NCc1cc(ccn1)Cl 512a_100000085674_100102657272 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.15 CNC(=O)NCc1cc(ccn1)Cl 512a_106832991638_100000085674 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.15 CNC(=O)NCc1cccc(=O)[nH]1 2708a_100000696482_106832991635 [0,1,0,0,0,1|2,0,0]=4 4708 B13R1.15 CNC(=O)NCc1cccc(=O)[nH]1 2708a_100102657272_100000696482 [0,1,0,0,0,1|2,0,0]=4 4709 B13R1.15 CNC(=O)NCc1cccc(=O)[nH]1 273464a_100000696482_100102657272 [0,1,0,0,0,1|2,0,0]=4 4710 B13R1.15 CNC(=O)NCc1cccc(=O)[nH]1 273464a_100102657272_100000696482 [0,1,0,0,0,1|2,0,0]=4 4711 B13R1.15 CNC(=O)NCc1cccc(=O)[nH]1 512a_100000696482_100102657272 [0,1,0,0,0,1|2,0,0]=4 4712 B13R1.15 CNC(=O)NCc1cccc(=O)[nH]1 512a_106832991638_100000696482 [0,1,0,0,0,1|2,0,0]=4 4713 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_106832991635 [0,1,0,0,0,1|1,0,0]=3 4714 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100102657272_100000174977 [0,1,0,0,0,1|1,0,0]=3 4715 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100102657272 [0,1,0,0,0,1|1,0,0]=3 4716 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100102657272_100000174977 [0,1,0,0,0,1|1,0,0]=3 4717 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100102657272 [0,1,0,0,0,1|1,0,0]=3 4718 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_106832991638_100000174977 [0,1,0,0,0,1|1,0,0]=3 4719 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100000185548_106832991635 [0,1,0,0,0,1|1,0,0]=3 4720 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100102657272_100000185548 [0,1,0,0,0,1|1,0,0]=3 4721 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100000185548_100102657272 [0,1,0,0,0,1|1,0,0]=3 4722 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100102657272_100000185548 [0,1,0,0,0,1|1,0,0]=3 4723 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_100000185548_100102657272 [0,1,0,0,0,1|1,0,0]=3 4724 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_106832991638_100000185548 [0,1,0,0,0,1|1,0,0]=3 4725 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_106832991635 [0,1,0,0,0,1|1,0,0]=3 4726 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100102657272_100000174878 [0,1,0,0,0,1|1,0,0]=3 4727 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100102657272 [0,1,0,0,0,1|1,0,0]=3 4728 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100102657272_100000174878 [0,1,0,0,0,1|1,0,0]=3 4729 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100102657272 [0,1,0,0,0,1|1,0,0]=3 4730 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_106832991638_100000174878 [0,1,0,0,0,1|1,0,0]=3 4731 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100000174948_106832991635 [0,1,0,0,0,1|1,0,0]=3 4732 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100102657272_100000174948 [0,1,0,0,0,1|1,0,0]=3 4733 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100102657272 [0,1,0,0,0,1|1,0,0]=3 4734 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100102657272_100000174948 [0,1,0,0,0,1|1,0,0]=3 4735 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_100000174948_100102657272 [0,1,0,0,0,1|1,0,0]=3 4736 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_106832991638_100000174948 [0,1,0,0,0,1|1,0,0]=3 4737 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100000106179_106832991635 [0,1,0,0,0,1|1,0,0]=3 4738 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100102657272_100000106179 [0,1,0,0,0,1|1,0,0]=3 4739 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100102657272 [0,1,0,0,0,1|1,0,0]=3 4740 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100102657272_100000106179 [0,1,0,0,0,1|1,0,0]=3 4741 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_100000106179_100102657272 [0,1,0,0,0,1|1,0,0]=3 4742 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_106832991638_100000106179 [0,1,0,0,0,1|1,0,0]=3 4743 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [0,1,0,0,0,1|1,0,0]=3 4744 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [0,1,0,0,0,1|1,0,0]=3 4745 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [0,1,0,0,0,1|1,0,0]=3 4746 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [0,1,0,0,0,1|1,0,0]=3 4747 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [0,1,0,0,0,1|1,0,0]=3 4748 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [0,1,0,0,0,1|1,0,0]=3 4749 B13R1.15 CNC(=O)NCc1cccc(n1)Br 2708a_100016987751_106832991635 [0,1,0,0,0,1|2,0,0]=4 4750 B13R1.15 CNC(=O)NCc1cccc(n1)Br 2708a_100102657272_100016987751 [0,1,0,0,0,1|2,0,0]=4 4751 B13R1.15 CNC(=O)NCc1cccc(n1)Br 273464a_100016987751_100102657272 [0,1,0,0,0,1|2,0,0]=4 4752 B13R1.15 CNC(=O)NCc1cccc(n1)Br 273464a_100102657272_100016987751 [0,1,0,0,0,1|2,0,0]=4 4753 B13R1.15 CNC(=O)NCc1cccc(n1)Br 512a_100016987751_100102657272 [0,1,0,0,0,1|2,0,0]=4 4754 B13R1.15 CNC(=O)NCc1cccc(n1)Br 512a_106832991638_100016987751 [0,1,0,0,0,1|2,0,0]=4 4755 B13R1.15 CNC(=O)NCc1cccc(n1)C 2708a_100000701342_106832991635 [0,1,0,0,0,1|2,0,0]=4 4756 B13R1.15 CNC(=O)NCc1cccc(n1)C 2708a_100102657272_100000701342 [0,1,0,0,0,1|2,0,0]=4 4757 B13R1.15 CNC(=O)NCc1cccc(n1)C 273464a_100000701342_100102657272 [0,1,0,0,0,1|2,0,0]=4 4758 B13R1.15 CNC(=O)NCc1cccc(n1)C 273464a_100102657272_100000701342 [0,1,0,0,0,1|2,0,0]=4 4759 B13R1.15 CNC(=O)NCc1cccc(n1)C 512a_100000701342_100102657272 [0,1,0,0,0,1|2,0,0]=4 4760 B13R1.15 CNC(=O)NCc1cccc(n1)C 512a_106832991638_100000701342 [0,1,0,0,0,1|2,0,0]=4 4761 B13R1.15 CNC(=O)NCc1cccc(n1)Cl 2708a_100016990191_106832991635 [0,1,0,0,0,1|2,0,0]=4 4762 B13R1.15 CNC(=O)NCc1cccc(n1)Cl 2708a_100102657272_100016990191 [0,1,0,0,0,1|2,0,0]=4 4763 B13R1.15 CNC(=O)NCc1cccc(n1)Cl 273464a_100016990191_100102657272 [0,1,0,0,0,1|2,0,0]=4 4764 B13R1.15 CNC(=O)NCc1cccc(n1)Cl 273464a_100102657272_100016990191 [0,1,0,0,0,1|2,0,0]=4 4765 B13R1.15 CNC(=O)NCc1cccc(n1)Cl 512a_100016990191_100102657272 [0,1,0,0,0,1|2,0,0]=4 4766 B13R1.15 CNC(=O)NCc1cccc(n1)Cl 512a_106832991638_100016990191 [0,1,0,0,0,1|2,0,0]=4 4767 B13R1.15 CNC(=O)NCc1cccc(n1)F 2708a_100015188798_106832991635 [0,1,0,0,0,1|2,0,0]=4 4768 B13R1.15 CNC(=O)NCc1cccc(n1)F 2708a_100102657272_100015188798 [0,1,0,0,0,1|2,0,0]=4 4769 B13R1.15 CNC(=O)NCc1cccc(n1)F 273464a_100015188798_100102657272 [0,1,0,0,0,1|2,0,0]=4 4770 B13R1.15 CNC(=O)NCc1cccc(n1)F 273464a_100102657272_100015188798 [0,1,0,0,0,1|2,0,0]=4 4771 B13R1.15 CNC(=O)NCc1cccc(n1)F 512a_100015188798_100102657272 [0,1,0,0,0,1|2,0,0]=4 4772 B13R1.15 CNC(=O)NCc1cccc(n1)F 512a_106832991638_100015188798 [0,1,0,0,0,1|2,0,0]=4 4773 B13R1.15 CNC(=O)NCc1ccnc(c1)Br 2708a_100025757509_106832991635 [0,1,0,0,0,1|2,0,0]=4 4774 B13R1.15 CNC(=O)NCc1ccnc(c1)Br 2708a_100102657272_100025757509 [0,1,0,0,0,1|2,0,0]=4 4775 B13R1.15 CNC(=O)NCc1ccnc(c1)Br 273464a_100025757509_100102657272 [0,1,0,0,0,1|2,0,0]=4 4776 B13R1.15 CNC(=O)NCc1ccnc(c1)Br 273464a_100102657272_100025757509 [0,1,0,0,0,1|2,0,0]=4 4777 B13R1.15 CNC(=O)NCc1ccnc(c1)Br 512a_100025757509_100102657272 [0,1,0,0,0,1|2,0,0]=4 4778 B13R1.15 CNC(=O)NCc1ccnc(c1)Br 512a_106832991638_100025757509 [0,1,0,0,0,1|2,0,0]=4 4779 B13R1.15 CNC(=O)NCc1ccnc(c1)C 2708a_100011934566_106832991635 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.15 CNC(=O)NCc1ccnc(c1)C 2708a_100102657272_100011934566 [0,1,0,0,0,1|2,0,0]=4 4781 B13R1.15 CNC(=O)NCc1ccnc(c1)C 273464a_100011934566_100102657272 [0,1,0,0,0,1|2,0,0]=4 4782 B13R1.15 CNC(=O)NCc1ccnc(c1)C 273464a_100102657272_100011934566 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.15 CNC(=O)NCc1ccnc(c1)C 512a_100011934566_100102657272 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.15 CNC(=O)NCc1ccnc(c1)C 512a_106832991638_100011934566 [0,1,0,0,0,1|2,0,0]=4 4785 B13R1.15 CNC(=O)NCc1ccnc(c1)Cl 2708a_100015205668_106832991635 [0,1,0,0,0,1|2,0,0]=4 4786 B13R1.15 CNC(=O)NCc1ccnc(c1)Cl 2708a_100102657272_100015205668 [0,1,0,0,0,1|2,0,0]=4 4787 B13R1.15 CNC(=O)NCc1ccnc(c1)Cl 273464a_100015205668_100102657272 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.15 CNC(=O)NCc1ccnc(c1)Cl 273464a_100102657272_100015205668 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.15 CNC(=O)NCc1ccnc(c1)Cl 512a_100015205668_100102657272 [0,1,0,0,0,1|2,0,0]=4 4790 B13R1.15 CNC(=O)NCc1ccnc(c1)Cl 512a_106832991638_100015205668 [0,1,0,0,0,1|2,0,0]=4 4791 B13R1.15 CNC(=O)NCc1ccnc(c1)F 2708a_100015188774_106832991635 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.15 CNC(=O)NCc1ccnc(c1)F 2708a_100102657272_100015188774 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.15 CNC(=O)NCc1ccnc(c1)F 273464a_100015188774_100102657272 [0,1,0,0,0,1|2,0,0]=4 4794 B13R1.15 CNC(=O)NCc1ccnc(c1)F 273464a_100102657272_100015188774 [0,1,0,0,0,1|2,0,0]=4 4795 B13R1.15 CNC(=O)NCc1ccnc(c1)F 512a_100015188774_100102657272 [0,1,0,0,0,1|2,0,0]=4 4796 B13R1.15 CNC(=O)NCc1ccnc(c1)F 512a_106832991638_100015188774 [0,1,0,0,0,1|2,0,0]=4 4797 B13R1.15 CNC(=O)NCc1ccnc(c1)O 2708a_100000748557_106832991635 [0,1,0,0,0,1|2,0,0]=4 4798 B13R1.15 CNC(=O)NCc1ccnc(c1)O 2708a_100102657272_100000748557 [0,1,0,0,0,1|2,0,0]=4 4799 B13R1.15 CNC(=O)NCc1ccnc(c1)O 273464a_100000748557_100102657272 [0,1,0,0,0,1|2,0,0]=4 4800 B13R1.15 CNC(=O)NCc1ccnc(c1)O 273464a_100102657272_100000748557 [0,1,0,0,0,1|2,0,0]=4 4801 B13R1.15 CNC(=O)NCc1ccnc(c1)O 512a_100000748557_100102657272 [0,1,0,0,0,1|2,0,0]=4 4802 B13R1.15 CNC(=O)NCc1ccnc(c1)O 512a_106832991638_100000748557 [0,1,0,0,0,1|2,0,0]=4 4803 B13R1.15 CNC(=O)NCc1cncc(c1)Br 2708a_100011249555_106832991635 [0,1,0,0,0,1|2,0,0]=4 4804 B13R1.15 CNC(=O)NCc1cncc(c1)Br 2708a_100102657272_100011249555 [0,1,0,0,0,1|2,0,0]=4 4805 B13R1.15 CNC(=O)NCc1cncc(c1)Br 273464a_100011249555_100102657272 [0,1,0,0,0,1|2,0,0]=4 4806 B13R1.15 CNC(=O)NCc1cncc(c1)Br 273464a_100102657272_100011249555 [0,1,0,0,0,1|2,0,0]=4 4807 B13R1.15 CNC(=O)NCc1cncc(c1)Br 512a_100011249555_100102657272 [0,1,0,0,0,1|2,0,0]=4 4808 B13R1.15 CNC(=O)NCc1cncc(c1)Br 512a_106832991638_100011249555 [0,1,0,0,0,1|2,0,0]=4 4809 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100000692839_106832991635 [0,1,0,0,0,1|2,0,0]=4 4810 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100102657272_100000692839 [0,1,0,0,0,1|2,0,0]=4 4811 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100000692839_100102657272 [0,1,0,0,0,1|2,0,0]=4 4812 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100102657272_100000692839 [0,1,0,0,0,1|2,0,0]=4 4813 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_100000692839_100102657272 [0,1,0,0,0,1|2,0,0]=4 4814 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_106832991638_100000692839 [0,1,0,0,0,1|2,0,0]=4 4815 B13R1.15 CNC(=O)NCc1cncc(c1)Cl 2708a_100102657272_200020614424 [0,1,0,0,0,1|2,0,0]=4 4816 B13R1.15 CNC(=O)NCc1cncc(c1)Cl 2708a_200020614424_106832991635 [0,1,0,0,0,1|2,0,0]=4 4817 B13R1.15 CNC(=O)NCc1cncc(c1)Cl 273464a_100102657272_200020614424 [0,1,0,0,0,1|2,0,0]=4 4818 B13R1.15 CNC(=O)NCc1cncc(c1)Cl 273464a_200020614424_100102657272 [0,1,0,0,0,1|2,0,0]=4 4819 B13R1.15 CNC(=O)NCc1cncc(c1)Cl 512a_106832991638_200020614424 [0,1,0,0,0,1|2,0,0]=4 4820 B13R1.15 CNC(=O)NCc1cncc(c1)Cl 512a_200020614424_100102657272 [0,1,0,0,0,1|2,0,0]=4 4821 B13R1.15 CNC(=O)NCc1cncc(c1)F 2708a_100011962886_106832991635 [0,1,0,0,0,1|2,0,0]=4 4822 B13R1.15 CNC(=O)NCc1cncc(c1)F 2708a_100102657272_100011962886 [0,1,0,0,0,1|2,0,0]=4 4823 B13R1.15 CNC(=O)NCc1cncc(c1)F 273464a_100011962886_100102657272 [0,1,0,0,0,1|2,0,0]=4 4824 B13R1.15 CNC(=O)NCc1cncc(c1)F 273464a_100102657272_100011962886 [0,1,0,0,0,1|2,0,0]=4 4825 B13R1.15 CNC(=O)NCc1cncc(c1)F 512a_100011962886_100102657272 [0,1,0,0,0,1|2,0,0]=4 4826 B13R1.15 CNC(=O)NCc1cncc(c1)F 512a_106832991638_100011962886 [0,1,0,0,0,1|2,0,0]=4 4827 B13R1.15 CNC(=O)NNc1cccc(c1)Br 273464a_100102657272_100000217339 [0,1,0,0,0,1|2,0,0]=4 4828 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_100000217339_100102657272 [0,1,0,0,0,1|2,0,0]=4 4829 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_106832991638_100000217339 [0,1,0,0,0,1|2,0,0]=4 4830 B13R1.15 CNC(=O)NNc1cccc(c1)C 273464a_100102657272_100000681630 [0,1,0,0,0,1|2,0,0]=4 4831 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_100000681630_100102657272 [0,1,0,0,0,1|2,0,0]=4 4832 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_106832991638_100000681630 [0,1,0,0,0,1|2,0,0]=4 4833 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 273464a_100102657272_100000184277 [0,1,0,0,0,1|2,0,0]=4 4834 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 512a_106832991638_100000184277 [0,1,0,0,0,1|2,0,0]=4 4835 B13R1.15 CNC(=O)NNc1cccc(c1)F 273464a_100102657272_100000745080 [0,1,0,0,0,1|2,0,0]=4 4836 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_100000745080_100102657272 [0,1,0,0,0,1|2,0,0]=4 4837 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_106832991638_100000745080 [0,1,0,0,0,1|2,0,0]=4 4838 B13R1.15 CNC(=O)NNc1cccc(c1)I 273464a_100102657272_100020605690 [0,1,0,0,0,1|2,0,0]=4 4839 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_100020605690_100102657272 [0,1,0,0,0,1|2,0,0]=4 4840 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_106832991638_100020605690 [0,1,0,0,0,1|2,0,0]=4 4841 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,0,0,0,1|0,0,1]=3 4842 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,1,0,0,0,1|0,0,0]=2 4843 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [0,1,0,0,0,1|0,0,0]=2 4844 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,1,0,0,0,1|0,0,0]=2 4845 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,1,0,0,0,1|0,0,0]=2 4846 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [0,1,0,0,0,1|0,0,0]=2 4847 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [0,1,0,0,0,1|0,0,0]=2 4848 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [0,1,0,0,0,1|0,0,0]=2 4849 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [0,1,0,0,0,1|0,0,0]=2 4850 B13R1.15 COC(=O)COc1cc(cnn1)C 34a_100000766097_100000747449 [0,1,0,0,0,1|2,0,0]=4 4851 B13R1.15 COC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000747449 [0,1,0,0,0,1|1,0,0]=3 4852 B13R1.15 COC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000747449 [0,1,0,0,0,1|1,0,0]=3 4853 B13R1.15 COC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000747449 [0,1,0,0,0,1|1,0,0]=3 4854 B13R1.15 COC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000747449 [0,1,0,0,0,1|1,0,0]=3 4855 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,1,0,0,0,1|0,0,0]=2 4856 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,1,0,0,0,1|0,0,0]=2 4857 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,1,0,0,0,1|0,0,0]=2 4858 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,1,0,0,0,1|0,0,0]=2 4859 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,1,0,0,0,1|0,0,0]=2 4860 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,1,0,0,0,1|0,0,0]=2 4861 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,1,0,0,0,1|0,0,0]=2 4862 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,1,0,0,0,1|0,0,0]=2 4863 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,1,0,0,0,1|0,0,0]=2 4864 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,1,0,0,0,1|0,0,0]=2 4865 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,1,0,0,0,1|0,0,0]=2 4866 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,1,0,0,0,1|0,0,0]=2 4867 B13R1.15 COC(=O)COc1cccc(n1)F 34a_100011432558_100000747449 [0,1,0,0,0,1|1,0,0]=3 4868 B13R1.15 COC(=O)COc1ccnc(c1)C 34a_100000688365_100000747449 [0,1,0,0,0,1|1,0,0]=3 4869 B13R1.15 COC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000747449 [0,1,0,0,0,1|1,0,0]=3 4870 B13R1.15 COC(=O)COc1ccnc(c1)F 34a_100000732698_100000747449 [0,1,0,0,0,1|1,0,0]=3 4871 B13R1.15 COC(=O)COc1ccnc(c1)N 34a_100011834064_100000747449 [0,1,0,0,0,1|1,0,0]=3 4872 B13R1.15 COC(=O)COc1cncc(c1)Br 34a_100000754920_100000747449 [0,1,0,0,0,1|1,0,0]=3 4873 B13R1.15 COC(=O)COc1cncc(c1)Br 7a_100000754920_100000747449 [0,1,0,0,0,1|1,0,0]=3 4874 B13R1.15 COC(=O)COc1cncc(c1)C 34a_100011830280_100000747449 [0,1,0,0,0,1|1,0,0]=3 4875 B13R1.15 COC(=O)COc1cncc(c1)C 7a_100011830280_100000747449 [0,1,0,0,0,1|1,0,0]=3 4876 B13R1.15 COC(=O)COc1cncc(c1)Cl 7a_100000032511_100000747449 [0,1,0,0,0,1|1,0,0]=3 4877 B13R1.15 COC(=O)COc1cncc(c1)F 34a_100011830296_100000747449 [0,1,0,0,0,1|1,0,0]=3 4878 B13R1.15 COC(=O)COc1cncc(c1)F 7a_100011830296_100000747449 [0,1,0,0,0,1|1,0,0]=3 4879 B13R1.15 COC(=O)COc1cncc(c1)N 34a_100011997051_100000747449 [0,1,0,0,0,1|1,0,0]=3 4880 B13R1.15 COC(=O)COc1cnnc(c1)Cl 34a_200010734679_100000747449 [0,1,0,0,0,1|2,0,0]=4 4881 B13R1.15 COC(=O)COc1cnnc(c1)N 34a_200015193112_100000747449 [0,1,0,0,0,1|2,0,0]=4 4882 B13R1.15 COC(=O)CSc1c[n+](ccn1)[O-] 62a_100000747449_100009880115 [0,1,0,0,0,1|2,0,0]=4 4883 B13R1.15 COC(=O)CSc1cc(=O)[nH]cn1 62a_100012002517_100000747449 [0,1,0,0,0,1|2,0,0]=4 4884 B13R1.15 COC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747449 [0,1,0,0,0,1|1,0,0]=3 4885 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000747449_100000750283 [0,1,0,0,0,1|1,0,0]=3 4886 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747449 [0,1,0,0,0,1|1,0,0]=3 4887 B13R1.15 COC(=O)CSc1cc(ccn1)Cl 62a_100000747449_100010167805 [0,1,0,0,0,1|1,0,0]=3 4888 B13R1.15 COC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747449 [0,1,0,0,0,1|1,0,0]=3 4889 B13R1.15 COC(=O)CSc1cc(ccn1)F 62a_100000747449_100000764206 [0,1,0,0,0,1|1,0,0]=3 4890 B13R1.15 COC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747449 [0,1,0,0,0,1|1,0,0]=3 4891 B13R1.15 COC(=O)CSc1cc(ccn1)N 62a_100000747449_100009814236 [0,1,0,0,0,1|1,0,0]=3 4892 B13R1.15 COC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747449 [0,1,0,0,0,1|1,0,0]=3 4893 B13R1.15 COC(=O)CSc1cc(ccn1)O 62a_100000747449_100000762945 [0,1,0,0,0,1|1,0,0]=3 4894 B13R1.15 COC(=O)CSc1cc(cnn1)C 62a_100000070100_100000747449 [0,1,0,0,0,1|2,0,0]=4 4895 B13R1.15 COC(=O)CSc1cc(cnn1)C 62a_100000747449_100000070100 [0,1,0,0,0,1|2,0,0]=4 4896 B13R1.15 COC(=O)CSc1cc(cnn1)N 62a_100000747449_100011996757 [0,1,0,0,0,1|2,0,0]=4 4897 B13R1.15 COC(=O)CSc1cc(cnn1)N 62a_100011996757_100000747449 [0,1,0,0,0,1|2,0,0]=4 4898 B13R1.15 COC(=O)CSc1cc(cnn1)O 62a_100000747449_200010734679 [0,1,0,0,0,1|2,0,0]=4 4899 B13R1.15 COC(=O)CSc1cc(ncn1)C 62a_100000744208_100000747449 [0,1,0,0,0,1|2,0,0]=4 4900 B13R1.15 COC(=O)CSc1cc(ncn1)C 62a_100000747449_100000744208 [0,1,0,0,0,1|2,0,0]=4 4901 B13R1.15 COC(=O)CSc1cc(ncn1)Cl 62a_100000747449_100010161198 [0,1,0,0,0,1|2,0,0]=4 4902 B13R1.15 COC(=O)CSc1cc(ncn1)Cl 62a_100010161198_100000747449 [0,1,0,0,0,1|2,0,0]=4 4903 B13R1.15 COC(=O)CSc1cc(ncn1)F 62a_100000747449_200009880791 [0,1,0,0,0,1|2,0,0]=4 4904 B13R1.15 COC(=O)CSc1cc(ncn1)F 62a_200009880791_100000747449 [0,1,0,0,0,1|2,0,0]=4 4905 B13R1.15 COC(=O)CSc1cc(ncn1)N 62a_100000701291_100000747449 [0,1,0,0,0,1|2,0,0]=4 4906 B13R1.15 COC(=O)CSc1cc(ncn1)N 62a_100000747449_100000701291 [0,1,0,0,0,1|2,0,0]=4 4907 B13R1.15 COC(=O)CSc1cc(ncn1)O 62a_100000747449_100000765262 [0,1,0,0,0,1|2,0,0]=4 4908 B13R1.15 COC(=O)CSc1cc[nH]c(=O)c1 62a_100000747449_100009816521 [0,1,0,0,0,1|1,0,0]=3 4909 B13R1.15 COC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747449 [0,1,0,0,0,1|1,0,0]=3 4910 B13R1.15 COC(=O)CSc1cc[nH]c(=O)n1 62a_100000747449_200000134032 [0,1,0,0,0,1|2,0,0]=4 4911 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100000747449_100009996589 [0,1,0,0,0,1|1,0,0]=3 4912 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000747449 [0,1,0,0,0,1|1,0,0]=3 4913 B13R1.15 COC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747449_100009815978 [0,1,0,0,0,1|1,0,0]=3 4914 B13R1.15 COC(=O)CSc1cccc(=O)[nH]1 62a_100000747449_100000752884 [0,1,0,0,0,1|1,0,0]=3 4915 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [0,1,0,0,0,1|0,0,0]=2 4916 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [0,1,0,0,0,1|0,0,0]=2 4917 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,1,0,0,0,1|0,0,0]=2 4918 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,1,0,0,0,1|0,0,0]=2 4919 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [0,1,0,0,0,1|0,0,0]=2 4920 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [0,1,0,0,0,1|0,0,0]=2 4921 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [0,1,0,0,0,1|0,0,0]=2 4922 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [0,1,0,0,0,1|0,0,0]=2 4923 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [0,1,0,0,0,1|0,0,0]=2 4924 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [0,1,0,0,0,1|0,0,0]=2 4925 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [0,1,0,0,0,1|0,0,0]=2 4926 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [0,1,0,0,0,1|0,0,0]=2 4927 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [0,1,0,0,0,1|0,0,0]=2 4928 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [0,1,0,0,0,1|0,0,0]=2 4929 B13R1.15 COC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747449 [0,1,0,0,0,1|1,0,0]=3 4930 B13R1.15 COC(=O)CSc1cccc(n1)Br 62a_100000747449_100000684672 [0,1,0,0,0,1|1,0,0]=3 4931 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000742759_100000747449 [0,1,0,0,0,1|1,0,0]=3 4932 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000747449_100000742759 [0,1,0,0,0,1|1,0,0]=3 4933 B13R1.15 COC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747449 [0,1,0,0,0,1|1,0,0]=3 4934 B13R1.15 COC(=O)CSc1cccc(n1)Cl 62a_100000747449_100000051397 [0,1,0,0,0,1|1,0,0]=3 4935 B13R1.15 COC(=O)CSc1cccc(n1)F 62a_100000747449_100009815982 [0,1,0,0,0,1|1,0,0]=3 4936 B13R1.15 COC(=O)CSc1cccc(n1)F 62a_100009815982_100000747449 [0,1,0,0,0,1|1,0,0]=3 4937 B13R1.15 COC(=O)CSc1cccc(n1)N 62a_100000740741_100000747449 [0,1,0,0,0,1|1,0,0]=3 4938 B13R1.15 COC(=O)CSc1cccc(n1)N 62a_100000747449_100000740741 [0,1,0,0,0,1|1,0,0]=3 4939 B13R1.15 COC(=O)CSc1ccnc(c1)Br 62a_100000747449_100009814637 [0,1,0,0,0,1|1,0,0]=3 4940 B13R1.15 COC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000747449 [0,1,0,0,0,1|1,0,0]=3 4941 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000747449_100000758586 [0,1,0,0,0,1|1,0,0]=3 4942 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000758586_100000747449 [0,1,0,0,0,1|1,0,0]=3 4943 B13R1.15 COC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000747449 [0,1,0,0,0,1|1,0,0]=3 4944 B13R1.15 COC(=O)CSc1ccnc(c1)Cl 62a_100000747449_100000035001 [0,1,0,0,0,1|1,0,0]=3 4945 B13R1.15 COC(=O)CSc1ccnc(c1)F 62a_100000747449_100009816116 [0,1,0,0,0,1|1,0,0]=3 4946 B13R1.15 COC(=O)CSc1ccnc(c1)F 62a_100009816116_100000747449 [0,1,0,0,0,1|1,0,0]=3 4947 B13R1.15 COC(=O)CSc1ccnc(c1)N 62a_100000049665_100000747449 [0,1,0,0,0,1|1,0,0]=3 4948 B13R1.15 COC(=O)CSc1ccnc(c1)N 62a_100000747449_100000049665 [0,1,0,0,0,1|1,0,0]=3 4949 B13R1.15 COC(=O)CSc1ccnc(n1)C 62a_100000747449_100000749937 [0,1,0,0,0,1|2,0,0]=4 4950 B13R1.15 COC(=O)CSc1ccnc(n1)C 62a_100000749937_100000747449 [0,1,0,0,0,1|2,0,0]=4 4951 B13R1.15 COC(=O)CSc1ccnc(n1)Cl 62a_100000747449_100010154678 [0,1,0,0,0,1|2,0,0]=4 4952 B13R1.15 COC(=O)CSc1ccnc(n1)Cl 62a_100010154678_100000747449 [0,1,0,0,0,1|2,0,0]=4 4953 B13R1.15 COC(=O)CSc1ccnc(n1)N 62a_100000055538_100000747449 [0,1,0,0,0,1|2,0,0]=4 4954 B13R1.15 COC(=O)CSc1ccnc(n1)N 62a_100000747449_100000055538 [0,1,0,0,0,1|2,0,0]=4 4955 B13R1.15 COC(=O)CSc1cn[nH]c(=O)c1 62a_100000747449_100010197405 [0,1,0,0,0,1|2,0,0]=4 4956 B13R1.15 COC(=O)CSc1cncc(c1)Br 62a_100000728054_100000747449 [0,1,0,0,0,1|1,0,0]=3 4957 B13R1.15 COC(=O)CSc1cncc(c1)Br 62a_100000747449_100000728054 [0,1,0,0,0,1|1,0,0]=3 4958 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000747449_100000760492 [0,1,0,0,0,1|1,0,0]=3 4959 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000760492_100000747449 [0,1,0,0,0,1|1,0,0]=3 4960 B13R1.15 COC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000747449 [0,1,0,0,0,1|1,0,0]=3 4961 B13R1.15 COC(=O)CSc1cncc(c1)Cl 62a_100000747449_100000049639 [0,1,0,0,0,1|1,0,0]=3 4962 B13R1.15 COC(=O)CSc1cncc(c1)F 62a_100000744099_100000747449 [0,1,0,0,0,1|1,0,0]=3 4963 B13R1.15 COC(=O)CSc1cncc(c1)F 62a_100000747449_100000744099 [0,1,0,0,0,1|1,0,0]=3 4964 B13R1.15 COC(=O)CSc1cncc(c1)N 62a_100000687067_100000747449 [0,1,0,0,0,1|1,0,0]=3 4965 B13R1.15 COC(=O)CSc1cncc(c1)N 62a_100000747449_100000687067 [0,1,0,0,0,1|1,0,0]=3 4966 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000747449_100000754920 [0,1,0,0,0,1|1,0,0]=3 4967 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000754920_100000747449 [0,1,0,0,0,1|1,0,0]=3 4968 B13R1.15 COC(=O)CSc1cncc(n1)C 62a_100000747449_100000754123 [0,1,0,0,0,1|2,0,0]=4 4969 B13R1.15 COC(=O)CSc1cncc(n1)C 62a_100000754123_100000747449 [0,1,0,0,0,1|2,0,0]=4 4970 B13R1.15 COC(=O)CSc1cncc(n1)Cl 62a_100000747449_100010892449 [0,1,0,0,0,1|2,0,0]=4 4971 B13R1.15 COC(=O)CSc1cncc(n1)Cl 62a_100010892449_100000747449 [0,1,0,0,0,1|2,0,0]=4 4972 B13R1.15 COC(=O)CSc1cncc(n1)F 62a_100000747449_200009863489 [0,1,0,0,0,1|2,0,0]=4 4973 B13R1.15 COC(=O)CSc1cncc(n1)F 62a_200009863489_100000747449 [0,1,0,0,0,1|2,0,0]=4 4974 B13R1.15 COC(=O)CSc1cncc(n1)N 62a_100000747449_100000747728 [0,1,0,0,0,1|2,0,0]=4 4975 B13R1.15 COC(=O)CSc1cncc(n1)N 62a_100000747728_100000747449 [0,1,0,0,0,1|2,0,0]=4 4976 B13R1.15 COC(=O)CSc1cncc(n1)O 62a_100000747449_100011269956 [0,1,0,0,0,1|2,0,0]=4 4977 B13R1.15 COC(=O)CSc1cnnc(c1)N 62a_100000130277_100000747449 [0,1,0,0,0,1|2,0,0]=4 4978 B13R1.15 COC(=O)CSc1cnnc(c1)N 62a_100000747449_100000130277 [0,1,0,0,0,1|2,0,0]=4 4979 B13R1.15 COC(=O)CSc1nccc(n1)C 62a_100000747449_100011243806 [0,1,0,0,0,1|2,0,0]=4 4980 B13R1.15 COC(=O)CSc1nccc(n1)C 62a_100011243806_100000747449 [0,1,0,0,0,1|2,0,0]=4 4981 B13R1.15 COC(=O)CSc1nccc(n1)N 62a_100000747449_100000757536 [0,1,0,0,0,1|2,0,0]=4 4982 B13R1.15 COC(=O)CSc1nccc(n1)N 62a_100000757536_100000747449 [0,1,0,0,0,1|2,0,0]=4 4983 B13R1.15 COC(=O)CSc1nccc(n1)O 62a_100000747449_100011649813 [0,1,0,0,0,1|2,0,0]=4 4984 B13R1.15 COC(C)COc1cccc(c1)C 34a_200011219432_200000210301 [0,1,0,0,0,1|1,0,1]=4 4985 B13R1.15 COC(C)COc1cccc(c1)C 7a_200011219432_200000210301 [0,1,0,0,0,1|1,0,1]=4 4986 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100000211773_100009879195 [0,1,0,0,0,1|1,0,1]=4 4987 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100009879195_100000211773 [0,1,0,0,0,1|1,0,1]=4 4988 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100000211840_100009879195 [0,1,0,0,0,1|1,0,1]=4 4989 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100009879195_100000211840 [0,1,0,0,0,1|1,0,1]=4 4990 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100000187163_100009879195 [0,1,0,0,0,1|1,0,1]=4 4991 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100009879195_100000187163 [0,1,0,0,0,1|1,0,1]=4 4992 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100000230114_100009879195 [0,1,0,0,0,1|1,0,1]=4 4993 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100009879195_100000230114 [0,1,0,0,0,1|1,0,1]=4 4994 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100009879195_100011218688 [0,1,0,0,0,1|1,0,1]=4 4995 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100011218688_100009879195 [0,1,0,0,0,1|1,0,1]=4 4996 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100009879195_100011660834 [0,1,0,0,0,1|1,0,1]=4 4997 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100011660834_100009879195 [0,1,0,0,0,1|1,0,1]=4 4998 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [0,1,0,0,0,1|2,0,0]=4 4999 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,1,0,0,0,1|2,0,0]=4 5000 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,1,0,0,0,1|2,0,0]=4 5001 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,1,0,0,0,1|2,0,0]=4 5002 B13R1.15 Cc1cccc(c1)OCC(=O)CF 1458a_100000183606_100015361967 [0,1,0,0,0,1|2,0,0]=4 5003 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 34a_200011219432_200025704644 [0,1,0,0,0,1|1,0,1]=4 5004 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 7a_200011219432_200025704644 [0,1,0,0,0,1|1,0,1]=4 5005 B13R1.15 NNC(=O)COc1cccc(c1)O 271570a_203496583355_100000184228 [0,1,0,0,0,1|2,0,0]=4 5006 B13R1.15 O=C(CF)CCc1cccc(c1)Br 1458a_100000184314_100015361967 [0,1,0,0,0,1|2,0,0]=4 5007 B13R1.15 O=C(CF)CCc1cccc(c1)Cl 1458a_100000235675_100015361967 [0,1,0,0,0,1|2,0,0]=4 5008 B13R1.15 O=C(CF)CCc1cccc(c1)F 1458a_100000235673_100015361967 [0,1,0,0,0,1|2,0,0]=4 5009 B13R1.15 O=C(CF)CCc1cccc(c1)I 1458a_100010007846_100015361967 [0,1,0,0,0,1|2,0,0]=4 5010 B13R1.15 O=C(CF)CCc1cccc(c1)O 1458a_100011216126_100015361967 [0,1,0,0,0,1|2,0,0]=4 5011 B13R1.15 O=C(CF)COc1cccc(c1)Br 1458a_100000182359_100015361967 [0,1,0,0,0,1|2,0,0]=4 5012 B13R1.15 O=C(CF)COc1cccc(c1)Cl 1458a_100000184978_100015361967 [0,1,0,0,0,1|2,0,0]=4 5013 B13R1.15 O=C(CF)COc1cccc(c1)F 1458a_100000182781_100015361967 [0,1,0,0,0,1|2,0,0]=4 5014 B13R1.15 O=C(CF)CSc1cccc(c1)Br 1458a_100000760868_100015361967 [0,1,0,0,0,1|2,0,0]=4 5015 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,1,0,0,0,1|2,0,0]=4 5016 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,1,0,0,0,1|2,0,0]=4 5017 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,1,0,0,0,1|2,0,0]=4 5018 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [0,1,0,0,0,1|2,0,0]=4 5019 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [0,1,0,0,0,1|2,0,0]=4 5020 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [0,1,0,0,0,1|2,0,0]=4 5021 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [0,1,0,0,0,1|2,0,0]=4 5022 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [0,1,0,0,0,1|2,0,0]=4 5023 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [0,1,0,0,0,1|2,0,0]=4 5024 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [0,1,0,0,0,1|2,0,0]=4 5025 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [0,1,0,0,0,1|2,0,0]=4 5026 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [0,1,0,0,0,1|2,0,0]=4 5027 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [0,1,0,0,0,1|2,0,0]=4 5028 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [0,1,0,0,0,1|1,0,1]=4 5029 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [0,1,0,0,0,1|1,0,1]=4 5030 B13R1.42 C#CCC(=O)COc1ccccc1 1458a_100000186222_100000184674 [0,1,0,0,0,1|1,0,1]=4 5031 B13R1.42 C#CCC(=O)CSc1ccccc1 1458a_100000211596_100000184674 [0,1,0,0,0,1|1,0,1]=4 5032 B13R1.42 C#CCC(=O)NCc1ccccc1 1626a_100015324214_100011220946 [0,1,0,0,0,1|1,0,1]=4 5033 B13R1.42 C#CCC(=O)NCc1ccccc1 527a_100015324214_100011220946 [0,1,0,0,0,1|1,0,1]=4 5034 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,1,0,0,0,1|1,0,1]=4 5035 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,1,0,0,0,1|1,0,1]=4 5036 B13R1.42 C=CCC(=O)COc1ccccc1 1458a_100000186222_100000210623 [0,1,0,0,0,1|1,0,1]=4 5037 B13R1.42 C=CCC(=O)CSc1ccccc1 1458a_100000211596_100000210623 [0,1,0,0,0,1|1,0,1]=4 5038 B13R1.42 C=CCC(=O)NCc1ccccc1 11a_100015324214_100000210193 [0,1,0,0,0,1|1,0,1]=4 5039 B13R1.42 C=CCC(=O)NCc1ccccc1 1626a_100015324214_100000210193 [0,1,0,0,0,1|1,0,1]=4 5040 B13R1.42 C=CCC(=O)NCc1ccccc1 240690a_100015324214_100000210193 [0,1,0,0,0,1|1,0,1]=4 5041 B13R1.42 C=CCC(=O)NCc1ccccc1 527a_100015324214_100000210193 [0,1,0,0,0,1|1,0,1]=4 5042 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,1,0,0,0,1|0,0,1]=3 5043 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,1,0,0,0,1|0,0,1]=3 5044 B13R1.42 C=COC(=O)COc1cccnc1 34a_100000210849_100000036128 [0,1,0,0,0,1|1,0,1]=4 5045 B13R1.42 C=COC(=O)COc1ccncc1 34a_100000212176_100000036128 [0,1,0,0,0,1|1,0,1]=4 5046 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,1,0,0,0,1|0,0,1]=3 5047 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,1,0,0,0,1|0,0,1]=3 5048 B13R1.42 C=COC(=O)CSc1ccccn1 62a_100000036128_100011216584 [0,1,0,0,0,1|1,0,1]=4 5049 B13R1.42 C=COC(=O)CSc1ccccn1 62a_100011216584_100000036128 [0,1,0,0,0,1|1,0,1]=4 5050 B13R1.42 C=COC(=O)CSc1cccnc1 62a_100000036128_100000210063 [0,1,0,0,0,1|1,0,1]=4 5051 B13R1.42 C=COC(=O)CSc1cccnc1 62a_100000210063_100000036128 [0,1,0,0,0,1|1,0,1]=4 5052 B13R1.42 C=COC(=O)CSc1ccncc1 62a_100000036128_100000728582 [0,1,0,0,0,1|1,0,1]=4 5053 B13R1.42 C=COC(=O)CSc1ccncc1 62a_100000728582_100000036128 [0,1,0,0,0,1|1,0,1]=4 5054 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,1,0,0,0,1|1,0,0]=3 5055 B13R1.42 CC#CC(=O)CCc1ccccn1 1458a_100000763181_100015183660 [0,1,0,0,0,1|2,0,0]=4 5056 B13R1.42 CC#CC(=O)CCc1cccnc1 1458a_100000763181_200011713674 [0,1,0,0,0,1|2,0,0]=4 5057 B13R1.42 CC#CC(=O)CCc1ccncc1 1458a_100000763181_100000723409 [0,1,0,0,0,1|2,0,0]=4 5058 B13R1.42 CC#CC(=O)NNc1ccccc1 22a_100015195140_100000763181 [0,1,0,0,0,1|2,0,0]=4 5059 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,1,0,0,0,1|1,0,1]=4 5060 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,1,0,0,0,1|1,0,1]=4 5061 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,1,0,0,0,1|1,0,0]=3 5062 B13R1.42 CC=CC(=O)CCc1ccccn1 1458a_100000210699_100015183660 [0,1,0,0,0,1|2,0,0]=4 5063 B13R1.42 CC=CC(=O)CCc1cccnc1 1458a_100000210699_200011713674 [0,1,0,0,0,1|2,0,0]=4 5064 B13R1.42 CC=CC(=O)CCc1ccncc1 1458a_100000210699_100000723409 [0,1,0,0,0,1|2,0,0]=4 5065 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,1,0,0,0,1|1,0,0]=3 5066 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,1,0,0,0,1|1,0,0]=3 5067 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,1,0,0,0,1|1,0,0]=3 5068 B13R1.42 CC=CC(=O)NCc1ccccn1 11a_100000210449_100000210699 [0,1,0,0,0,1|2,0,0]=4 5069 B13R1.42 CC=CC(=O)NCc1ccccn1 1626a_100000210449_100000210699 [0,1,0,0,0,1|2,0,0]=4 5070 B13R1.42 CC=CC(=O)NCc1ccccn1 240690a_100000210449_100000210699 [0,1,0,0,0,1|2,0,0]=4 5071 B13R1.42 CC=CC(=O)NCc1cccnc1 11a_100000210453_100000210699 [0,1,0,0,0,1|2,0,0]=4 5072 B13R1.42 CC=CC(=O)NCc1cccnc1 240690a_100000210453_100000210699 [0,1,0,0,0,1|2,0,0]=4 5073 B13R1.42 CC=CC(=O)NCc1ccncc1 11a_100000210450_100000210699 [0,1,0,0,0,1|2,0,0]=4 5074 B13R1.42 CC=CC(=O)NCc1ccncc1 1626a_100000210450_100000210699 [0,1,0,0,0,1|2,0,0]=4 5075 B13R1.42 CC=CC(=O)NCc1ccncc1 240690a_100000210450_100000210699 [0,1,0,0,0,1|2,0,0]=4 5076 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,1,0,0,0,1|2,0,0]=4 5077 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [0,1,0,0,0,1|1,0,1]=4 5078 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,1,0,0,0,1|1,0,1]=4 5079 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,1,0,0,0,1|1,0,0]=3 5080 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,1,0,0,0,1|1,0,0]=3 5081 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,1,0,0,0,1|2,0,0]=4 5082 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,1,0,0,0,1|2,0,0]=4 5083 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,1,0,0,0,1|2,0,0]=4 5084 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,1,0,0,0,1|2,0,0]=4 5085 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,1,0,0,0,1|2,0,0]=4 5086 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,1,0,0,0,1|2,0,0]=4 5087 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,1,0,0,0,1|1,0,0]=3 5088 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,1,0,0,0,1|1,0,0]=3 5089 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [0,1,0,0,0,1|2,0,0]=4 5090 B13R1.42 CCCC(=O)COc1cccnc1 1458a_100015207166_100000210303 [0,1,0,0,0,1|2,0,0]=4 5091 B13R1.42 CCCC(=O)COc1cccnc1 7a_100000210849_100000747444 [0,1,0,0,0,1|2,0,0]=4 5092 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,1,0,0,0,1|1,0,0]=3 5093 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,1,0,0,0,1|1,0,0]=3 5094 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,1,0,0,0,1|1,0,0]=3 5095 B13R1.42 CCCC(=O)CSc1ccccn1 1458a_100000156281_100000210303 [0,1,0,0,0,1|2,0,0]=4 5096 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100000747444_100011216584 [0,1,0,0,0,1|2,0,0]=4 5097 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100011216584_100000747444 [0,1,0,0,0,1|2,0,0]=4 5098 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000210063_100000747444 [0,1,0,0,0,1|2,0,0]=4 5099 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000747444_100000210063 [0,1,0,0,0,1|2,0,0]=4 5100 B13R1.42 CCCC(=O)CSc1ccncc1 1458a_100000211328_100000210303 [0,1,0,0,0,1|2,0,0]=4 5101 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000728582_100000747444 [0,1,0,0,0,1|2,0,0]=4 5102 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000747444_100000728582 [0,1,0,0,0,1|2,0,0]=4 5103 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,1,0,0,0,1|1,0,0]=3 5104 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,1,0,0,0,1|1,0,0]=3 5105 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,1,0,0,0,1|1,0,0]=3 5106 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,1,0,0,0,1|1,0,0]=3 5107 B13R1.42 CCCC(=O)NCc1ccccn1 11a_100000210449_100000211992 [0,1,0,0,0,1|2,0,0]=4 5108 B13R1.42 CCCC(=O)NCc1ccccn1 1626a_100000210449_100000211992 [0,1,0,0,0,1|2,0,0]=4 5109 B13R1.42 CCCC(=O)NCc1ccccn1 240690a_100000210449_100000211992 [0,1,0,0,0,1|2,0,0]=4 5110 B13R1.42 CCCC(=O)NCc1ccccn1 527a_100000210449_100000211992 [0,1,0,0,0,1|2,0,0]=4 5111 B13R1.42 CCCC(=O)NCc1cccnc1 11a_100000210453_100000211992 [0,1,0,0,0,1|2,0,0]=4 5112 B13R1.42 CCCC(=O)NCc1cccnc1 240690a_100000210453_100000211992 [0,1,0,0,0,1|2,0,0]=4 5113 B13R1.42 CCCC(=O)NCc1cccnc1 527a_100000210453_100000211992 [0,1,0,0,0,1|2,0,0]=4 5114 B13R1.42 CCCC(=O)NCc1ccncc1 11a_100000210450_100000211992 [0,1,0,0,0,1|2,0,0]=4 5115 B13R1.42 CCCC(=O)NCc1ccncc1 1626a_100000210450_100000211992 [0,1,0,0,0,1|2,0,0]=4 5116 B13R1.42 CCCC(=O)NCc1ccncc1 240690a_100000210450_100000211992 [0,1,0,0,0,1|2,0,0]=4 5117 B13R1.42 CCCC(=O)NCc1ccncc1 527a_100000210450_100000211992 [0,1,0,0,0,1|2,0,0]=4 5118 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [0,1,0,0,0,1|2,0,0]=4 5119 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,1,0,0,0,1|1,0,1]=4 5120 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,1,0,0,0,1|1,0,1]=4 5121 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,1,0,0,0,1|1,0,0]=3 5122 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,1,0,0,0,1|1,0,0]=3 5123 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,1,0,0,0,1|1,0,0]=3 5124 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [0,1,0,0,0,1|2,0,0]=4 5125 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [0,1,0,0,0,1|2,0,0]=4 5126 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [0,1,0,0,0,1|2,0,0]=4 5127 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [0,1,0,0,0,1|2,0,0]=4 5128 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [0,1,0,0,0,1|2,0,0]=4 5129 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [0,1,0,0,0,1|2,0,0]=4 5130 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [0,1,0,0,0,1|2,0,0]=4 5131 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [0,1,0,0,0,1|2,0,0]=4 5132 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [0,1,0,0,0,1|2,0,0]=4 5133 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,1,0,0,0,1|1,0,0]=3 5134 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,1,0,0,0,1|1,0,0]=3 5135 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,1,0,0,0,1|1,0,0]=3 5136 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,1,0,0,0,1|1,0,0]=3 5137 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,1,0,0,0,1|1,0,0]=3 5138 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,1,0,0,0,1|1,0,0]=3 5139 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,1,0,0,0,1|2,0,0]=4 5140 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,1,0,0,0,1|2,0,0]=4 5141 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [0,1,0,0,0,1|2,0,0]=4 5142 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [0,1,0,0,0,1|2,0,0]=4 5143 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [0,1,0,0,0,1|2,0,0]=4 5144 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [0,1,0,0,0,1|2,0,0]=4 5145 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [0,1,0,0,0,1|2,0,0]=4 5146 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [0,1,0,0,0,1|2,0,0]=4 5147 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,1,0,0,0,1|1,0,0]=3 5148 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,1,0,0,0,1|1,0,0]=3 5149 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,1,0,0,0,1|1,0,0]=3 5150 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,1,0,0,0,1|1,0,0]=3 5151 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,1,0,0,0,1|1,0,0]=3 5152 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [0,1,0,0,0,1|2,0,0]=4 5153 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [0,1,0,0,0,1|2,0,0]=4 5154 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [0,1,0,0,0,1|2,0,0]=4 5155 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [0,1,0,0,0,1|2,0,0]=4 5156 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [0,1,0,0,0,1|2,0,0]=4 5157 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [0,1,0,0,0,1|2,0,0]=4 5158 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [0,1,0,0,0,1|2,0,0]=4 5159 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [0,1,0,0,0,1|2,0,0]=4 5160 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [0,1,0,0,0,1|2,0,0]=4 5161 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [0,1,0,0,0,1|2,0,0]=4 5162 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [0,1,0,0,0,1|2,0,0]=4 5163 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [0,1,0,0,0,1|2,0,0]=4 5164 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,1,0,0,0,1|1,0,0]=3 5165 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,1,0,0,0,1|1,0,0]=3 5166 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,1,0,0,0,1|1,0,0]=3 5167 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,1,0,0,0,1|1,0,0]=3 5168 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,1,0,0,0,1|1,0,0]=3 5169 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,1,0,0,0,1|1,0,0]=3 5170 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [0,1,0,0,0,1|2,0,0]=4 5171 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [0,1,0,0,0,1|2,0,0]=4 5172 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [0,1,0,0,0,1|2,0,0]=4 5173 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [0,1,0,0,0,1|2,0,0]=4 5174 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [0,1,0,0,0,1|2,0,0]=4 5175 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [0,1,0,0,0,1|2,0,0]=4 5176 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [0,1,0,0,0,1|2,0,0]=4 5177 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [0,1,0,0,0,1|2,0,0]=4 5178 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [0,1,0,0,0,1|2,0,0]=4 5179 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [0,1,0,0,0,1|2,0,0]=4 5180 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [0,1,0,0,0,1|2,0,0]=4 5181 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100000210450_100015525214 [0,1,0,0,0,1|2,0,0]=4 5182 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100015525214_100000210450 [0,1,0,0,0,1|2,0,0]=4 5183 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100000210450_100015525214 [0,1,0,0,0,1|2,0,0]=4 5184 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100015525214_100000210450 [0,1,0,0,0,1|2,0,0]=4 5185 B13R1.42 CCNC(=O)NCc1ccncc1 512a_100015525214_100000210450 [0,1,0,0,0,1|2,0,0]=4 5186 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [0,1,0,0,0,1|2,0,0]=4 5187 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [0,1,0,0,0,1|2,0,0]=4 5188 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,1,0,0,0,1|0,0,1]=3 5189 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,1,0,0,0,1|1,0,1]=4 5190 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,1,0,0,0,1|1,0,1]=4 5191 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,1,0,0,0,1|1,0,1]=4 5192 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,1,0,0,0,1|0,0,0]=2 5193 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,1,0,0,0,1|0,0,0]=2 5194 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,1,0,0,0,1|0,0,0]=2 5195 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [0,1,0,0,0,1|1,0,0]=3 5196 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [0,1,0,0,0,1|1,0,0]=3 5197 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [0,1,0,0,0,1|1,0,0]=3 5198 B13R1.42 CCOC(=O)COc1ccnnc1 34a_100015204005_100000188475 [0,1,0,0,0,1|2,0,0]=4 5199 B13R1.42 CCOC(=O)COc1cncnc1 7a_100000754086_100000188475 [0,1,0,0,0,1|2,0,0]=4 5200 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,1,0,0,0,1|0,0,0]=2 5201 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,1,0,0,0,1|0,0,0]=2 5202 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,1,0,0,0,1|1,0,0]=3 5203 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,1,0,0,0,1|1,0,0]=3 5204 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [0,1,0,0,0,1|1,0,0]=3 5205 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [0,1,0,0,0,1|1,0,0]=3 5206 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100000188475_100016991348 [0,1,0,0,0,1|2,0,0]=4 5207 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100016991348_100000188475 [0,1,0,0,0,1|2,0,0]=4 5208 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [0,1,0,0,0,1|1,0,0]=3 5209 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [0,1,0,0,0,1|1,0,0]=3 5210 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000188475_100000703185 [0,1,0,0,0,1|2,0,0]=4 5211 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000703185_100000188475 [0,1,0,0,0,1|2,0,0]=4 5212 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000188475_100000732662 [0,1,0,0,0,1|2,0,0]=4 5213 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000732662_100000188475 [0,1,0,0,0,1|2,0,0]=4 5214 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000188475_100000211759 [0,1,0,0,0,1|2,0,0]=4 5215 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000211759_100000188475 [0,1,0,0,0,1|2,0,0]=4 5216 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100000188475_100011206942 [0,1,0,0,0,1|2,0,0]=4 5217 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100011206942_100000188475 [0,1,0,0,0,1|2,0,0]=4 5218 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000188475_100000211032 [0,1,0,0,0,1|2,0,0]=4 5219 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000211032_100000188475 [0,1,0,0,0,1|2,0,0]=4 5220 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,1,0,0,0,1|1,0,1]=4 5221 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,1,0,0,0,1|1,0,1]=4 5222 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,0,0,0,1|1,0,1]=4 5223 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,0,0,0,1|1,0,1]=4 5224 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,1,0,0,0,1|1,0,0]=3 5225 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,1,0,0,0,1|1,0,0]=3 5226 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,1,0,0,0,1|1,0,0]=3 5227 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,1,0,0,0,1|1,0,0]=3 5228 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,1,0,0,0,1|1,0,0]=3 5229 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,1,0,0,0,1|1,0,0]=3 5230 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,1,0,0,0,1|1,0,0]=3 5231 B13R1.42 CNCC(=O)NCc1ccccn1 2230a_106832991635_100000684169 [0,1,0,0,0,1|2,0,0]=4 5232 B13R1.42 CNCC(=O)NCc1ccccn1 34a_100102657272_100000684169 [0,1,0,0,0,1|2,0,0]=4 5233 B13R1.42 CNCC(=O)NCc1ccccn1 7a_106832991635_100000684169 [0,1,0,0,0,1|2,0,0]=4 5234 B13R1.42 CNCC(=O)NCc1cccnc1 2230a_106832991635_100000752408 [0,1,0,0,0,1|2,0,0]=4 5235 B13R1.42 CNCC(=O)NCc1cccnc1 7a_106832991635_100000752408 [0,1,0,0,0,1|2,0,0]=4 5236 B13R1.42 CNCC(=O)NCc1ccncc1 2230a_106832991635_100011243468 [0,1,0,0,0,1|2,0,0]=4 5237 B13R1.42 CNCC(=O)NCc1ccncc1 7a_106832991635_100011243468 [0,1,0,0,0,1|2,0,0]=4 5238 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,1,0,0,0,1|1,0,0]=3 5239 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,1,0,0,0,1|1,0,0]=3 5240 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,1,0,0,0,1|1,0,0]=3 5241 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [0,1,0,0,0,1|1,0,1]=4 5242 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,1,0,0,0,1|1,0,1]=4 5243 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,1,0,0,0,1|1,0,0]=3 5244 B13R1.42 CNNC(=O)CCc1ccccn1 22a_100016993582_100015195070 [0,1,0,0,0,1|2,0,0]=4 5245 B13R1.42 CNNC(=O)CCc1cccnc1 22a_100016993582_100000198484 [0,1,0,0,0,1|2,0,0]=4 5246 B13R1.42 CNNC(=O)CCc1ccncc1 22a_100016993582_100011225043 [0,1,0,0,0,1|2,0,0]=4 5247 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,1,0,0,0,1|1,0,0]=3 5248 B13R1.42 CNNC(=O)COc1ccccn1 22a_100016993582_100102699861 [0,1,0,0,0,1|2,0,0]=4 5249 B13R1.42 CNNC(=O)COc1cccnc1 22a_100016993582_100015207166 [0,1,0,0,0,1|2,0,0]=4 5250 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,1,0,0,0,1|1,0,0]=3 5251 B13R1.42 CNNC(=O)CSc1ccccn1 22a_100016993582_100000156281 [0,1,0,0,0,1|2,0,0]=4 5252 B13R1.42 CNNC(=O)CSc1ccncc1 22a_100016993582_100000211328 [0,1,0,0,0,1|2,0,0]=4 5253 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,1,0,0,0,1|1,0,0]=3 5254 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,1,0,0,0,1|1,0,0]=3 5255 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,1,0,0,0,1|1,0,0]=3 5256 B13R1.42 CNNC(=O)NCc1ccccn1 273464a_100000210449_100016993582 [0,1,0,0,0,1|2,0,0]=4 5257 B13R1.42 CNNC(=O)NCc1ccccn1 512a_100016993582_100000210449 [0,1,0,0,0,1|2,0,0]=4 5258 B13R1.42 CNNC(=O)NCc1cccnc1 273464a_100000210453_100016993582 [0,1,0,0,0,1|2,0,0]=4 5259 B13R1.42 CNNC(=O)NCc1cccnc1 512a_100000210453_100016993582 [0,1,0,0,0,1|2,0,0]=4 5260 B13R1.42 CNNC(=O)NCc1cccnc1 512a_100016993582_100000210453 [0,1,0,0,0,1|2,0,0]=4 5261 B13R1.42 CNNC(=O)NCc1ccncc1 273464a_100000210450_100016993582 [0,1,0,0,0,1|2,0,0]=4 5262 B13R1.42 CNNC(=O)NCc1ccncc1 512a_100016993582_100000210450 [0,1,0,0,0,1|2,0,0]=4 5263 B13R1.42 CNNC(=O)NNc1ccccc1 512a_100016993582_100015195140 [0,1,0,0,0,1|2,0,0]=4 5264 B13R1.42 COCC(=NNc1ccccc1)C 4a_100015195140_100000749346 [0,1,0,0,0,1|2,0,0]=4 5265 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,1,0,0,0,1|0,0,0]=2 5266 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,1,0,0,0,1|0,0,0]=2 5267 B13R1.42 COCC(=O)CCc1ccccn1 1458a_100000210968_100015183660 [0,1,0,0,0,1|1,0,0]=3 5268 B13R1.42 COCC(=O)CCc1cccnc1 1458a_100000210968_200011713674 [0,1,0,0,0,1|1,0,0]=3 5269 B13R1.42 COCC(=O)CCc1ccncc1 1458a_100000210968_100000723409 [0,1,0,0,0,1|1,0,0]=3 5270 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,1,0,0,0,1|0,0,0]=2 5271 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,1,0,0,0,1|0,0,0]=2 5272 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,1,0,0,0,1|0,0,0]=2 5273 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,1,0,0,0,1|0,0,0]=2 5274 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,1,0,0,0,1|0,0,0]=2 5275 B13R1.42 COCC(=O)NCc1ccccn1 11a_100000210449_100000210968 [0,1,0,0,0,1|1,0,0]=3 5276 B13R1.42 COCC(=O)NCc1ccccn1 1626a_100000210449_100000210968 [0,1,0,0,0,1|1,0,0]=3 5277 B13R1.42 COCC(=O)NCc1ccccn1 240690a_100000210449_100000210968 [0,1,0,0,0,1|1,0,0]=3 5278 B13R1.42 COCC(=O)NCc1ccccn1 34a_100138415774_100000684169 [0,1,0,0,0,1|1,0,0]=3 5279 B13R1.42 COCC(=O)NCc1ccccn1 527a_100000210449_100000210968 [0,1,0,0,0,1|1,0,0]=3 5280 B13R1.42 COCC(=O)NCc1cccnc1 11a_100000210453_100000210968 [0,1,0,0,0,1|1,0,0]=3 5281 B13R1.42 COCC(=O)NCc1cccnc1 240690a_100000210453_100000210968 [0,1,0,0,0,1|1,0,0]=3 5282 B13R1.42 COCC(=O)NCc1cccnc1 527a_100000210453_100000210968 [0,1,0,0,0,1|1,0,0]=3 5283 B13R1.42 COCC(=O)NCc1cccnn1 11a_100159270163_100000210968 [0,1,0,0,0,1|2,0,0]=4 5284 B13R1.42 COCC(=O)NCc1cccnn1 240690a_100159270163_100000210968 [0,1,0,0,0,1|2,0,0]=4 5285 B13R1.42 COCC(=O)NCc1cccnn1 527a_100159270163_100000210968 [0,1,0,0,0,1|2,0,0]=4 5286 B13R1.42 COCC(=O)NCc1ccncc1 11a_100000210450_100000210968 [0,1,0,0,0,1|1,0,0]=3 5287 B13R1.42 COCC(=O)NCc1ccncc1 1626a_100000210450_100000210968 [0,1,0,0,0,1|1,0,0]=3 5288 B13R1.42 COCC(=O)NCc1ccncc1 240690a_100000210450_100000210968 [0,1,0,0,0,1|1,0,0]=3 5289 B13R1.42 COCC(=O)NCc1ccncc1 527a_100000210450_100000210968 [0,1,0,0,0,1|1,0,0]=3 5290 B13R1.42 COCC(=O)NCc1ccncn1 11a_100000736019_100000210968 [0,1,0,0,0,1|2,0,0]=4 5291 B13R1.42 COCC(=O)NCc1ccncn1 240690a_100000736019_100000210968 [0,1,0,0,0,1|2,0,0]=4 5292 B13R1.42 COCC(=O)NCc1ccncn1 527a_100000736019_100000210968 [0,1,0,0,0,1|2,0,0]=4 5293 B13R1.42 COCC(=O)NCc1cnccn1 11a_100000737960_100000210968 [0,1,0,0,0,1|2,0,0]=4 5294 B13R1.42 COCC(=O)NCc1cnccn1 240690a_100000737960_100000210968 [0,1,0,0,0,1|2,0,0]=4 5295 B13R1.42 COCC(=O)NCc1cnccn1 527a_100000737960_100000210968 [0,1,0,0,0,1|2,0,0]=4 5296 B13R1.42 COCC(=O)NCc1cncnc1 11a_100011243677_100000210968 [0,1,0,0,0,1|2,0,0]=4 5297 B13R1.42 COCC(=O)NCc1cncnc1 240690a_100011243677_100000210968 [0,1,0,0,0,1|2,0,0]=4 5298 B13R1.42 COCC(=O)NCc1cncnc1 527a_100011243677_100000210968 [0,1,0,0,0,1|2,0,0]=4 5299 B13R1.42 COCC(=O)NCc1ncccn1 11a_100015189908_100000210968 [0,1,0,0,0,1|2,0,0]=4 5300 B13R1.42 COCC(=O)NCc1ncccn1 240690a_100015189908_100000210968 [0,1,0,0,0,1|2,0,0]=4 5301 B13R1.42 COCC(=O)NCc1ncccn1 527a_100015189908_100000210968 [0,1,0,0,0,1|2,0,0]=4 5302 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,1,0,0,0,1|1,0,0]=3 5303 B13R1.42 COCC(=O)NNc1ccccn1 22a_100000183288_100000210968 [0,1,0,0,0,1|2,0,0]=4 5304 B13R1.42 COCC(=O)NNc1cccnc1 22a_100000728903_100000210968 [0,1,0,0,0,1|2,0,0]=4 5305 B13R1.42 COCC(=O)NNc1ccncc1 22a_100000698918_100000210968 [0,1,0,0,0,1|2,0,0]=4 5306 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,1,0,0,0,1|0,0,0]=2 5307 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,0,0,0,1|1,0,1]=4 5308 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,0,0,0,1|1,0,1]=4 5309 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,0,0,0,1|1,0,1]=4 5310 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,1,0,0,0,1|1,0,1]=4 5311 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,1,0,0,0,1|1,0,1]=4 5312 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,1,0,0,0,1|1,0,1]=4 5313 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,1,0,0,0,1|1,0,1]=4 5314 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,1,0,0,0,1|0,0,2]=4 5315 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,1,0,0,0,1|0,0,2]=4 5316 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,1,0,0,0,1|0,0,2]=4 5317 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,1,0,0,0,1|0,0,2]=4 5318 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,1,0,0,0,1|0,0,2]=4 5319 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,1,0,0,0,1|2,0,0]=4 5320 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,1,0,0,0,1|2,0,0]=4 5321 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,0,0,0,1|1,0,1]=4 5322 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,0,0,0,1|1,0,1]=4 5323 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,0,0,0,1|1,0,1]=4 5324 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,0,0,0,1|1,0,1]=4 5325 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,1,0,0,0,1|1,0,1]=4 5326 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,1,0,0,0,1|0,1,0]=3 5327 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,1,0,0,0,1|0,1,0]=3 5328 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,1,0,0,0,1|0,1,0]=3 5329 B13R1.42 CSCC(=O)CCc1ccccn1 1458a_100000184570_100015183660 [0,1,0,0,0,1|1,1,0]=4 5330 B13R1.42 CSCC(=O)CCc1cccnc1 1458a_100000184570_200011713674 [0,1,0,0,0,1|1,1,0]=4 5331 B13R1.42 CSCC(=O)CCc1ccncc1 1458a_100000184570_100000723409 [0,1,0,0,0,1|1,1,0]=4 5332 B13R1.42 CSCC(=O)NCc1ccccc1 11a_100015324214_100000184570 [0,1,0,0,0,1|0,1,0]=3 5333 B13R1.42 CSCC(=O)NCc1ccccc1 1626a_100015324214_100000184570 [0,1,0,0,0,1|0,1,0]=3 5334 B13R1.42 CSCC(=O)NCc1ccccc1 240690a_100015324214_100000184570 [0,1,0,0,0,1|0,1,0]=3 5335 B13R1.42 CSCC(=O)NCc1ccccc1 527a_100015324214_100000184570 [0,1,0,0,0,1|0,1,0]=3 5336 B13R1.42 CSCC(=O)NCc1ccccc1 62a_100000183539_200000210301 [0,1,0,0,0,1|0,1,0]=3 5337 B13R1.42 CSCC(=O)NCc1ccccc1 62a_200000210301_100000183539 [0,1,0,0,0,1|0,1,0]=3 5338 B13R1.42 CSCC(=O)NCc1ccccn1 11a_100000210449_100000184570 [0,1,0,0,0,1|1,1,0]=4 5339 B13R1.42 CSCC(=O)NCc1ccccn1 1626a_100000210449_100000184570 [0,1,0,0,0,1|1,1,0]=4 5340 B13R1.42 CSCC(=O)NCc1ccccn1 240690a_100000210449_100000184570 [0,1,0,0,0,1|1,1,0]=4 5341 B13R1.42 CSCC(=O)NCc1ccccn1 527a_100000210449_100000184570 [0,1,0,0,0,1|1,1,0]=4 5342 B13R1.42 CSCC(=O)NCc1ccccn1 62a_100000684169_200000210301 [0,1,0,0,0,1|1,1,0]=4 5343 B13R1.42 CSCC(=O)NCc1ccccn1 62a_200000210301_100000684169 [0,1,0,0,0,1|1,1,0]=4 5344 B13R1.42 CSCC(=O)NCc1cccnc1 11a_100000210453_100000184570 [0,1,0,0,0,1|1,1,0]=4 5345 B13R1.42 CSCC(=O)NCc1cccnc1 240690a_100000210453_100000184570 [0,1,0,0,0,1|1,1,0]=4 5346 B13R1.42 CSCC(=O)NCc1cccnc1 527a_100000210453_100000184570 [0,1,0,0,0,1|1,1,0]=4 5347 B13R1.42 CSCC(=O)NCc1cccnc1 62a_100000752408_200000210301 [0,1,0,0,0,1|1,1,0]=4 5348 B13R1.42 CSCC(=O)NCc1cccnc1 62a_200000210301_100000752408 [0,1,0,0,0,1|1,1,0]=4 5349 B13R1.42 CSCC(=O)NCc1ccncc1 11a_100000210450_100000184570 [0,1,0,0,0,1|1,1,0]=4 5350 B13R1.42 CSCC(=O)NCc1ccncc1 1626a_100000210450_100000184570 [0,1,0,0,0,1|1,1,0]=4 5351 B13R1.42 CSCC(=O)NCc1ccncc1 240690a_100000210450_100000184570 [0,1,0,0,0,1|1,1,0]=4 5352 B13R1.42 CSCC(=O)NCc1ccncc1 527a_100000210450_100000184570 [0,1,0,0,0,1|1,1,0]=4 5353 B13R1.42 CSCC(=O)NCc1ccncc1 62a_100011243468_200000210301 [0,1,0,0,0,1|1,1,0]=4 5354 B13R1.42 CSCC(=O)NCc1ccncc1 62a_200000210301_100011243468 [0,1,0,0,0,1|1,1,0]=4 5355 B13R1.42 CSCC(=O)NNc1ccccc1 22a_100015195140_100000184570 [0,1,0,0,0,1|1,1,0]=4 5356 B13R1.42 CSCC(=O)OCc1ccccc1 62a_100000753625_200000210301 [0,1,0,0,0,1|0,1,0]=3 5357 B13R1.42 CSCC(=O)OCc1ccccc1 62a_200000210301_100000753625 [0,1,0,0,0,1|0,1,0]=3 5358 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,1,0,0,0,1|1,0,1]=4 5359 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,1,0,0,0,1|1,0,1]=4 5360 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,0,0,0,1|1,0,1]=4 5361 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100000185753_100011214920 [0,1,0,0,0,1|1,0,1]=4 5362 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100051588842_100000765856 [0,1,0,0,0,1|1,0,1]=4 5363 B13R1.42 N#CCC(=O)COc1ccccc1 1458a_100000186222_100011214920 [0,1,0,0,0,1|1,0,1]=4 5364 B13R1.42 N#CCC(=O)CSc1ccccc1 1458a_100000211596_100011214920 [0,1,0,0,0,1|1,0,1]=4 5365 B13R1.42 N#CCC(=O)NCc1ccccc1 1626a_100015324214_100051588842 [0,1,0,0,0,1|1,0,1]=4 5366 B13R1.42 N#CCC(=O)NCc1ccccc1 240690a_100015324214_100051588842 [0,1,0,0,0,1|1,0,1]=4 5367 B13R1.42 O=C(C#Cc1ccccc1)CCF 1458a_100000736102_100011217306 [0,1,0,0,0,1|1,0,1]=4 5368 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,1,0,0,0,1|1,0,1]=4 5369 B13R1.42 O=C(C=CBr)CCc1ccccc1 1458a_100016273825_100000765856 [0,1,0,0,0,1|1,0,1]=4 5370 B13R1.42 O=C(C=CBr)NCc1ccccc1 1626a_100015324214_100016273825 [0,1,0,0,0,1|1,0,1]=4 5371 B13R1.42 O=C(C=CBr)NCc1ccccc1 240690a_100015324214_100016273825 [0,1,0,0,0,1|1,0,1]=4 5372 B13R1.42 O=C(C=CCl)CCc1ccccc1 1458a_200016279998_100000765856 [0,1,0,0,0,1|1,0,1]=4 5373 B13R1.42 O=C(C=CCl)NCc1ccccc1 11a_100015324214_200016279998 [0,1,0,0,0,1|1,0,1]=4 5374 B13R1.42 O=C(C=CCl)NCc1ccccc1 1626a_100015324214_200016279998 [0,1,0,0,0,1|1,0,1]=4 5375 B13R1.42 O=C(C=CCl)NCc1ccccc1 240690a_100015324214_200016279998 [0,1,0,0,0,1|1,0,1]=4 5376 B13R1.42 O=C(C=CI)CCc1ccccc1 1458a_100016256311_100000765856 [0,1,0,0,0,1|1,0,1]=4 5377 B13R1.42 O=C(C=CI)NCc1ccccc1 1626a_100015324214_100016256311 [0,1,0,0,0,1|1,0,1]=4 5378 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,1,0,0,0,1|1,0,1]=4 5379 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,1,0,0,0,1|1,0,1]=4 5380 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,1,0,0,0,1|1,0,0]=3 5381 B13R1.42 O=C(CCF)CCc1ccccn1 1458a_100015195070_100011217306 [0,1,0,0,0,1|2,0,0]=4 5382 B13R1.42 O=C(CCF)CCc1cccnc1 1458a_100000198484_100011217306 [0,1,0,0,0,1|2,0,0]=4 5383 B13R1.42 O=C(CCF)CCc1ccncc1 1458a_100011225043_100011217306 [0,1,0,0,0,1|2,0,0]=4 5384 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,1,0,0,0,1|1,0,0]=3 5385 B13R1.42 O=C(CCF)COc1ccccn1 1458a_100102699861_100011217306 [0,1,0,0,0,1|2,0,0]=4 5386 B13R1.42 O=C(CCF)COc1cccnc1 1458a_100015207166_100011217306 [0,1,0,0,0,1|2,0,0]=4 5387 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,1,0,0,0,1|1,0,0]=3 5388 B13R1.42 O=C(CCF)CSc1ccccn1 1458a_100000156281_100011217306 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.42 O=C(CCF)CSc1ccncc1 1458a_100000211328_100011217306 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,1,0,0,0,1|1,0,0]=3 5391 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,1,0,0,0,1|1,0,0]=3 5392 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [0,1,0,0,0,1|2,0,0]=4 5393 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [0,1,0,0,0,1|2,0,0]=4 5394 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011216618_100000723409 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011225043_100000211926 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,1,0,0,0,1|1,0,0]=3 5399 B13R1.42 O=C(CCO)COc1ccccn1 1458a_100102699861_100000211926 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.42 O=C(CCO)COc1cccnc1 1458a_100015207166_100000211926 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,1,0,0,0,1|1,0,0]=3 5402 B13R1.42 O=C(CCO)CSc1ccccn1 1458a_100000156281_100000211926 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.42 O=C(CCO)CSc1ccncc1 1458a_100000211328_100000211926 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,1,0,0,0,1|1,0,0]=3 5405 B13R1.42 O=C(CCO)NCc1ccccn1 240690a_100000210449_100011216618 [0,1,0,0,0,1|2,0,0]=4 5406 B13R1.42 O=C(CCO)NCc1cccnc1 240690a_100000210453_100011216618 [0,1,0,0,0,1|2,0,0]=4 5407 B13R1.42 O=C(CCO)NCc1ccncc1 240690a_100000210450_100011216618 [0,1,0,0,0,1|2,0,0]=4 5408 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,1,0,0,0,1|1,0,0]=3 5410 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,1,0,0,0,1|1,0,0]=3 5411 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,1,0,0,0,1|1,0,0]=3 5412 B13R1.42 O=C(COc1cccnc1)NCO 34a_100000210849_100000185155 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.42 O=C(COc1cccnc1)NCO 7a_100000210849_100000185155 [0,1,0,0,0,1|2,0,0]=4 5414 B13R1.42 O=C(COc1ccncc1)NCO 34a_100000212176_100000185155 [0,1,0,0,0,1|2,0,0]=4 5415 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,1,0,0,0,1|1,0,0]=3 5416 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,1,0,0,0,1|1,0,0]=3 5417 B13R1.42 O=C(CSc1ccccn1)NCO 62a_100000185155_100011216584 [0,1,0,0,0,1|2,0,0]=4 5418 B13R1.42 O=C(CSc1ccccn1)NCO 62a_100011216584_100000185155 [0,1,0,0,0,1|2,0,0]=4 5419 B13R1.42 O=C(CSc1cccnc1)NCO 62a_100000185155_100000210063 [0,1,0,0,0,1|2,0,0]=4 5420 B13R1.42 O=C(CSc1cccnc1)NCO 62a_100000210063_100000185155 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.42 O=C(CSc1ccncc1)NCO 62a_100000185155_100000728582 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.42 O=C(CSc1ccncc1)NCO 62a_100000728582_100000185155 [0,1,0,0,0,1|2,0,0]=4 5423 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,1,0,0,0,1|1,0,0]=3 5424 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,1,0,0,0,1|0,1,0]=3 5425 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,1,0,0,0,1|0,1,0]=3 5426 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_100000183539_200025704644 [0,1,0,0,0,1|0,1,0]=3 5427 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_200025704644_100000183539 [0,1,0,0,0,1|0,1,0]=3 5428 B13R1.42 [13CH3]SCC(=O)NCc1ccccn1 62a_100000684169_200025704644 [0,1,0,0,0,1|1,1,0]=4 5429 B13R1.42 [13CH3]SCC(=O)NCc1ccccn1 62a_200025704644_100000684169 [0,1,0,0,0,1|1,1,0]=4 5430 B13R1.42 [13CH3]SCC(=O)NCc1cccnc1 62a_100000752408_200025704644 [0,1,0,0,0,1|1,1,0]=4 5431 B13R1.42 [13CH3]SCC(=O)NCc1cccnc1 62a_200025704644_100000752408 [0,1,0,0,0,1|1,1,0]=4 5432 B13R1.42 [13CH3]SCC(=O)NCc1ccncc1 62a_100011243468_200025704644 [0,1,0,0,0,1|1,1,0]=4 5433 B13R1.42 [13CH3]SCC(=O)NCc1ccncc1 62a_200025704644_100011243468 [0,1,0,0,0,1|1,1,0]=4 5434 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_100000753625_200025704644 [0,1,0,0,0,1|0,1,0]=3 5435 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_200025704644_100000753625 [0,1,0,0,0,1|0,1,0]=3 5436 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,1,0,0,0,1|1,0,1]=4 5437 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,1|2,0,0]=4 5438 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,0,0,0,1|1,0,0]=3 5439 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,0,0,0,1|1,0,0]=3 5440 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,1,0,0,0,1|1,0,1]=4 5441 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000185746 [0,1,0,0,0,1|1,0,1]=4 5442 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 240690a_100000186898_200121576911 [0,1,0,0,0,1|1,0,1]=4 5443 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,1,0,0,0,1|2,0,0]=4 5444 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,1|2,0,0]=4 5445 B13R1.135 CC(Oc1ccccc1)C(=O)CF 1458a_100000188414_100015361967 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.135 CC(Sc1ccccc1)C(=O)CF 1458a_100000199063_100015361967 [0,1,0,0,0,1|2,0,0]=4 5447 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,0,0,0,1|1,0,1]=4 5448 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,0,0,0,1|1,0,1]=4 5449 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,0,0,0,1|1,0,1]=4 5450 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,0,0,0,1|1,0,1]=4 5451 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,1|1,0,0]=3 5452 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,1|1,0,0]=3 5453 B13R1.135 CCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210202 [0,1,0,0,0,1|2,0,0]=4 5454 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,1,0,0,0,1|1,0,0]=3 5455 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,1,0,0,0,1|1,0,0]=3 5456 B13R1.135 CCC(=O)C(C)Oc1cccnc1 7a_100000210849_100000742827 [0,1,0,0,0,1|2,0,0]=4 5457 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [0,1,0,0,0,1|1,0,0]=3 5458 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [0,1,0,0,0,1|1,0,0]=3 5459 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [0,1,0,0,0,1|1,0,0]=3 5460 B13R1.135 CCC(=O)C(C)Sc1ccccn1 1458a_100000156770_100000210202 [0,1,0,0,0,1|2,0,0]=4 5461 B13R1.135 CCC(=O)C(C)Sc1ccccn1 62a_100000742827_100011216584 [0,1,0,0,0,1|2,0,0]=4 5462 B13R1.135 CCC(=O)C(C)Sc1ccccn1 62a_100011216584_100000742827 [0,1,0,0,0,1|2,0,0]=4 5463 B13R1.135 CCC(=O)C(C)Sc1cccnc1 62a_100000210063_100000742827 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.135 CCC(=O)C(C)Sc1cccnc1 62a_100000742827_100000210063 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.135 CCC(=O)C(C)Sc1ccncc1 62a_100000728582_100000742827 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.135 CCC(=O)C(C)Sc1ccncc1 62a_100000742827_100000728582 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [0,1,0,0,0,1|1,0,0]=3 5468 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [0,1,0,0,0,1|1,0,0]=3 5469 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [0,1,0,0,0,1|1,0,0]=3 5470 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [0,1,0,0,0,1|1,0,0]=3 5471 B13R1.135 CCC(=O)N(C)Cc1ccccn1 11a_100000207498_100000210414 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.135 CCC(=O)N(C)Cc1ccccn1 240690a_100000207498_100000210414 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.135 CCC(=O)N(C)Cc1ccccn1 527a_100000207498_100000210414 [0,1,0,0,0,1|2,0,0]=4 5474 B13R1.135 CCC(=O)N(C)Cc1cccnc1 11a_100000184577_100000210414 [0,1,0,0,0,1|2,0,0]=4 5475 B13R1.135 CCC(=O)N(C)Cc1cccnc1 240690a_100000184577_100000210414 [0,1,0,0,0,1|2,0,0]=4 5476 B13R1.135 CCC(=O)N(C)Cc1cccnc1 527a_100000184577_100000210414 [0,1,0,0,0,1|2,0,0]=4 5477 B13R1.135 CCC(=O)N(C)Cc1ccncc1 11a_100000187231_100000210414 [0,1,0,0,0,1|2,0,0]=4 5478 B13R1.135 CCC(=O)N(C)Cc1ccncc1 240690a_100000187231_100000210414 [0,1,0,0,0,1|2,0,0]=4 5479 B13R1.135 CCC(=O)N(C)Cc1ccncc1 527a_100000187231_100000210414 [0,1,0,0,0,1|2,0,0]=4 5480 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,1|1,0,0]=3 5481 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,1,0,0,0,1|2,0,0]=4 5482 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,1,0,0,0,1|2,0,0]=4 5483 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,0,0,0,1|1,0,1]=4 5484 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,0,0,0,1|1,0,1]=4 5485 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,0,0,0,1|1,0,1]=4 5486 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,0,0,0,1|1,0,1]=4 5487 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,0,0,0,1|1,0,1]=4 5488 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,0,0,0,1|1,0,1]=4 5489 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,0,0,0,1|1,0,1]=4 5490 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,0,0,0,1|1,0,1]=4 5491 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,0,0,0,1|1,0,1]=4 5492 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,1|1,0,0]=3 5493 B13R1.135 CNC(=O)C(=O)Cc1ccccn1 1458a_100011218921_100000721315 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.135 CNC(=O)C(=O)Cc1cccnc1 1458a_100011218921_100000733263 [0,1,0,0,0,1|2,0,0]=4 5495 B13R1.135 CNC(=O)C(=O)Cc1ccncc1 1458a_100011218921_100000705612 [0,1,0,0,0,1|2,0,0]=4 5496 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,0,0,0,1|1,0,1]=4 5497 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,0,0,0,1|1,0,1]=4 5498 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,0,0,0,1|1,0,1]=4 5499 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,0,0,0,1|1,0,1]=4 5500 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,1|1,0,0]=3 5501 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,1|1,0,0]=3 5502 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,1|1,0,0]=3 5503 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,1|1,0,0]=3 5504 B13R1.135 CNC(=O)C(C)Cc1ccccn1 1626a_100102657272_100012000792 [0,1,0,0,0,1|2,0,0]=4 5505 B13R1.135 CNC(=O)C(C)Cc1ccccn1 240690a_100102657272_100012000792 [0,1,0,0,0,1|2,0,0]=4 5506 B13R1.135 CNC(=O)C(C)Cc1ccccn1 527a_100102657272_100012000792 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,0,0,0,1|1,0,0]=3 5508 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,0,0,0,1|1,0,0]=3 5509 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,0,0,0,1|1,0,0]=3 5510 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,0,0,0,1|1,0,0]=3 5511 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,0,0,0,1|1,0,0]=3 5512 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,0,0,0,1|1,0,0]=3 5513 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,0,0,0,1|1,0,0]=3 5514 B13R1.135 CNC(=O)C(C)Oc1cccnc1 34a_100000210849_100000731044 [0,1,0,0,0,1|2,0,0]=4 5515 B13R1.135 CNC(=O)C(C)Oc1cccnc1 7a_100000210849_100000209862 [0,1,0,0,0,1|2,0,0]=4 5516 B13R1.135 CNC(=O)C(C)Oc1ccncc1 34a_100000212176_100000731044 [0,1,0,0,0,1|2,0,0]=4 5517 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,0,0,0,1|1,0,0]=3 5518 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,0,0,0,1|1,0,0]=3 5519 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,0,0,0,1|1,0,0]=3 5520 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,0,0,0,1|1,0,0]=3 5521 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,0,0,0,1|1,0,0]=3 5522 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,0,0,0,1|1,0,0]=3 5523 B13R1.135 CNC(=O)C(C)Sc1ccccn1 11a_106832991635_100000156770 [0,1,0,0,0,1|2,0,0]=4 5524 B13R1.135 CNC(=O)C(C)Sc1ccccn1 1626a_100102657272_100000156770 [0,1,0,0,0,1|2,0,0]=4 5525 B13R1.135 CNC(=O)C(C)Sc1ccccn1 240690a_100102657272_100000156770 [0,1,0,0,0,1|2,0,0]=4 5526 B13R1.135 CNC(=O)C(C)Sc1ccccn1 527a_100102657272_100000156770 [0,1,0,0,0,1|2,0,0]=4 5527 B13R1.135 CNC(=O)C(C)Sc1ccccn1 62a_100000209862_100011216584 [0,1,0,0,0,1|2,0,0]=4 5528 B13R1.135 CNC(=O)C(C)Sc1ccccn1 62a_100011216584_100000731044 [0,1,0,0,0,1|2,0,0]=4 5529 B13R1.135 CNC(=O)C(C)Sc1cccnc1 62a_100000209862_100000210063 [0,1,0,0,0,1|2,0,0]=4 5530 B13R1.135 CNC(=O)C(C)Sc1cccnc1 62a_100000210063_100000731044 [0,1,0,0,0,1|2,0,0]=4 5531 B13R1.135 CNC(=O)C(C)Sc1ccncc1 62a_100000209862_100000728582 [0,1,0,0,0,1|2,0,0]=4 5532 B13R1.135 CNC(=O)C(C)Sc1ccncc1 62a_100000728582_100000731044 [0,1,0,0,0,1|2,0,0]=4 5533 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,0,0,0,1|1,0,0]=3 5534 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,0,0,0,1|1,0,0]=3 5535 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,0,0,0,1|1,0,0]=3 5536 B13R1.135 CNC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813575 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.135 CNC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813575 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.135 CNC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813575 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,0,0,0,1|1,0,0]=3 5540 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,0,0,0,1|1,0,0]=3 5541 B13R1.135 CNC(=O)C(F)Sc1ccccn1 62a_100009813575_100011216584 [0,1,0,0,0,1|2,0,0]=4 5542 B13R1.135 CNC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813575 [0,1,0,0,0,1|2,0,0]=4 5543 B13R1.135 CNC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813575 [0,1,0,0,0,1|2,0,0]=4 5544 B13R1.135 CNC(=O)C(F)Sc1cccnc1 62a_100009813575_100000210063 [0,1,0,0,0,1|2,0,0]=4 5545 B13R1.135 CNC(=O)C(F)Sc1ccncc1 62a_100000728582_100009813575 [0,1,0,0,0,1|2,0,0]=4 5546 B13R1.135 CNC(=O)C(F)Sc1ccncc1 62a_100009813575_100000728582 [0,1,0,0,0,1|2,0,0]=4 5547 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,0,0,0,1|1,0,0]=3 5548 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,0,0,0,1|1,0,0]=3 5549 B13R1.135 CNC(=O)N(C)Cc1ccccn1 2708a_100102657272_100000207498 [0,1,0,0,0,1|2,0,0]=4 5550 B13R1.135 CNC(=O)N(C)Cc1ccccn1 273464a_100102657272_100000207498 [0,1,0,0,0,1|2,0,0]=4 5551 B13R1.135 CNC(=O)N(C)Cc1cccnc1 2708a_100102657272_100000184577 [0,1,0,0,0,1|2,0,0]=4 5552 B13R1.135 CNC(=O)N(C)Cc1cccnc1 273464a_100102657272_100000184577 [0,1,0,0,0,1|2,0,0]=4 5553 B13R1.135 CNC(=O)N(C)Cc1ccncc1 2708a_100102657272_100000187231 [0,1,0,0,0,1|2,0,0]=4 5554 B13R1.135 CNC(=O)N(C)Cc1ccncc1 273464a_100102657272_100000187231 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,1|1,0,0]=3 5556 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,1|0,0,1]=3 5557 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,1|0,0,1]=3 5558 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,1|0,0,1]=3 5559 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,1|0,0,0]=2 5560 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,1|0,0,0]=2 5561 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,1|0,0,0]=2 5562 B13R1.135 COC(=O)C(C)Oc1cccnc1 34a_100000210849_100000211248 [0,1,0,0,0,1|1,0,0]=3 5563 B13R1.135 COC(=O)C(C)Oc1cccnc1 7a_100000210849_100000211248 [0,1,0,0,0,1|1,0,0]=3 5564 B13R1.135 COC(=O)C(C)Oc1ccncc1 34a_100000212176_100000211248 [0,1,0,0,0,1|1,0,0]=3 5565 B13R1.135 COC(=O)C(C)Oc1ccnnc1 34a_100015204005_100000211248 [0,1,0,0,0,1|2,0,0]=4 5566 B13R1.135 COC(=O)C(C)Oc1cncnc1 7a_100000754086_100000211248 [0,1,0,0,0,1|2,0,0]=4 5567 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,1|0,0,0]=2 5568 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,1|0,0,0]=2 5569 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100000211248_100011216584 [0,1,0,0,0,1|1,0,0]=3 5570 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100011216584_100000211248 [0,1,0,0,0,1|1,0,0]=3 5571 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000210063_100000211248 [0,1,0,0,0,1|1,0,0]=3 5572 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000211248_100000210063 [0,1,0,0,0,1|1,0,0]=3 5573 B13R1.135 COC(=O)C(C)Sc1cccnn1 62a_100000211248_100016991348 [0,1,0,0,0,1|2,0,0]=4 5574 B13R1.135 COC(=O)C(C)Sc1cccnn1 62a_100016991348_100000211248 [0,1,0,0,0,1|2,0,0]=4 5575 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000211248_100000728582 [0,1,0,0,0,1|1,0,0]=3 5576 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000728582_100000211248 [0,1,0,0,0,1|1,0,0]=3 5577 B13R1.135 COC(=O)C(C)Sc1ccncn1 62a_100000211248_100000703185 [0,1,0,0,0,1|2,0,0]=4 5578 B13R1.135 COC(=O)C(C)Sc1ccncn1 62a_100000703185_100000211248 [0,1,0,0,0,1|2,0,0]=4 5579 B13R1.135 COC(=O)C(C)Sc1ccnnc1 62a_100000211248_100000732662 [0,1,0,0,0,1|2,0,0]=4 5580 B13R1.135 COC(=O)C(C)Sc1ccnnc1 62a_100000732662_100000211248 [0,1,0,0,0,1|2,0,0]=4 5581 B13R1.135 COC(=O)C(C)Sc1cnccn1 62a_100000211248_100000211759 [0,1,0,0,0,1|2,0,0]=4 5582 B13R1.135 COC(=O)C(C)Sc1cnccn1 62a_100000211759_100000211248 [0,1,0,0,0,1|2,0,0]=4 5583 B13R1.135 COC(=O)C(C)Sc1cncnc1 62a_100000211248_100011206942 [0,1,0,0,0,1|2,0,0]=4 5584 B13R1.135 COC(=O)C(C)Sc1cncnc1 62a_100011206942_100000211248 [0,1,0,0,0,1|2,0,0]=4 5585 B13R1.135 COC(=O)C(C)Sc1ncccn1 62a_100000211032_100000211248 [0,1,0,0,0,1|2,0,0]=4 5586 B13R1.135 COC(=O)C(C)Sc1ncccn1 62a_100000211248_100000211032 [0,1,0,0,0,1|2,0,0]=4 5587 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,1|1,0,1]=4 5588 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,1,0,0,0,1|1,0,1]=4 5589 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,1,0,0,0,1|2,0,0]=4 5590 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [0,1,0,0,0,1|1,0,1]=4 5591 B13R1.254 CCS(=O)(=O)NCc1ccccc1 270084a_100015324214_100000211323 [0,1,0,0,0,1|2,0,0]=4 5592 B13R1.254 CCS(=O)(=O)NCc1ccccc1 274078a_100015324214_100000211323 [0,1,0,0,0,1|2,0,0]=4 5593 B13R1.254 CCS(=O)(=O)NCc1ccccc1 40a_100015324214_100000053943 [0,1,0,0,0,1|2,0,0]=4 5594 B13R1.254 CNS(=O)(=O)CCc1ccccc1 270084a_100102657272_100000738789 [0,1,0,0,0,1|2,0,0]=4 5595 B13R1.254 CNS(=O)(=O)CCc1ccccc1 274078a_100102657272_100000738789 [0,1,0,0,0,1|2,0,0]=4 5596 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [0,1,0,0,0,1|1,0,1]=4 5597 B13R1.254 COC(C)(C)CNc1ccccc1 34a_100000106764_100000701081 [0,1,0,0,0,1|1,0,1]=4 5598 B13R1.254 COC(C)(C)COc1ccccc1 34a_100000210340_100000701081 [0,1,0,0,0,1|1,0,1]=4 5599 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000701081_100000041952 [0,1,0,0,0,1|1,0,1]=4 5600 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000719477_100000701081 [0,1,0,0,0,1|1,0,1]=4 5601 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,1,0,0,0,1|1,0,1]=4 5602 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,1,0,0,0,1|1,0,1]=4 5603 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,1,0,0,0,1|1,0,0]=3 5604 B13R1.351 C=C(C)C(=O)CCc1ccccn1 1458a_100000185857_100015183660 [0,1,0,0,0,1|2,0,0]=4 5605 B13R1.351 C=C(C)C(=O)CCc1cccnc1 1458a_100000185857_200011713674 [0,1,0,0,0,1|2,0,0]=4 5606 B13R1.351 C=C(C)C(=O)CCc1ccncc1 1458a_100000185857_100000723409 [0,1,0,0,0,1|2,0,0]=4 5607 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,1,0,0,0,1|1,0,0]=3 5608 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,1,0,0,0,1|1,0,0]=3 5609 B13R1.351 C=C(C)C(=O)NCc1ccccn1 11a_100000210449_100000185857 [0,1,0,0,0,1|2,0,0]=4 5610 B13R1.351 C=C(C)C(=O)NCc1ccccn1 1626a_100000210449_100000185857 [0,1,0,0,0,1|2,0,0]=4 5611 B13R1.351 C=C(C)C(=O)NCc1cccnc1 11a_100000210453_100000185857 [0,1,0,0,0,1|2,0,0]=4 5612 B13R1.351 C=C(C)C(=O)NCc1ccncc1 11a_100000210450_100000185857 [0,1,0,0,0,1|2,0,0]=4 5613 B13R1.351 C=C(C)C(=O)NCc1ccncc1 1626a_100000210450_100000185857 [0,1,0,0,0,1|2,0,0]=4 5614 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,1,0,0,0,1|2,0,0]=4 5615 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,1,0,0,0,1|1,0,1]=4 5616 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,1,0,0,0,1|1,0,1]=4 5617 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,1,0,0,0,1|1,0,1]=4 5618 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,1,0,0,0,1|1,0,1]=4 5619 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,1|1,0,0]=3 5620 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,1|1,0,0]=3 5621 B13R1.351 CC(=O)C(=O)COc1cccnc1 34a_100000210849_100011261029 [0,1,0,0,0,1|2,0,0]=4 5622 B13R1.351 CC(=O)C(=O)COc1ccncc1 34a_100000212176_100011261029 [0,1,0,0,0,1|2,0,0]=4 5623 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,1|1,0,0]=3 5624 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,1|1,0,0]=3 5625 B13R1.351 CC(=O)C(=O)CSc1ccccn1 62a_100011216584_100011261029 [0,1,0,0,0,1|2,0,0]=4 5626 B13R1.351 CC(=O)C(=O)CSc1ccccn1 62a_100011261029_100011216584 [0,1,0,0,0,1|2,0,0]=4 5627 B13R1.351 CC(=O)C(=O)CSc1cccnc1 62a_100000210063_100011261029 [0,1,0,0,0,1|2,0,0]=4 5628 B13R1.351 CC(=O)C(=O)CSc1cccnc1 62a_100011261029_100000210063 [0,1,0,0,0,1|2,0,0]=4 5629 B13R1.351 CC(=O)C(=O)CSc1ccncc1 62a_100000728582_100011261029 [0,1,0,0,0,1|2,0,0]=4 5630 B13R1.351 CC(=O)C(=O)CSc1ccncc1 62a_100011261029_100000728582 [0,1,0,0,0,1|2,0,0]=4 5631 B13R1.351 CC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000210206 [0,1,0,0,0,1|1,0,1]=4 5632 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [0,1,0,0,0,1|1,0,1]=4 5633 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,1,0,0,0,1|1,0,0]=3 5634 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,1,0,0,0,1|1,0,0]=3 5635 B13R1.351 CC(C)C(=O)CCc1ccccn1 1458a_100000210198_100015183660 [0,1,0,0,0,1|2,0,0]=4 5636 B13R1.351 CC(C)C(=O)CCc1ccccn1 1458a_100015195070_100000210206 [0,1,0,0,0,1|2,0,0]=4 5637 B13R1.351 CC(C)C(=O)CCc1cccnc1 1458a_100000198484_100000210206 [0,1,0,0,0,1|2,0,0]=4 5638 B13R1.351 CC(C)C(=O)CCc1cccnc1 1458a_100000210198_200011713674 [0,1,0,0,0,1|2,0,0]=4 5639 B13R1.351 CC(C)C(=O)CCc1ccncc1 1458a_100000210198_100000723409 [0,1,0,0,0,1|2,0,0]=4 5640 B13R1.351 CC(C)C(=O)CCc1ccncc1 1458a_100011225043_100000210206 [0,1,0,0,0,1|2,0,0]=4 5641 B13R1.351 CC(C)C(=O)CNc1ccccc1 34a_100000106764_100000753385 [0,1,0,0,0,1|1,0,0]=3 5642 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [0,1,0,0,0,1|1,0,0]=3 5643 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [0,1,0,0,0,1|1,0,0]=3 5644 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [0,1,0,0,0,1|1,0,0]=3 5645 B13R1.351 CC(C)C(=O)COc1ccccn1 1458a_100102699861_100000210206 [0,1,0,0,0,1|2,0,0]=4 5646 B13R1.351 CC(C)C(=O)COc1cccnc1 1458a_100015207166_100000210206 [0,1,0,0,0,1|2,0,0]=4 5647 B13R1.351 CC(C)C(=O)COc1cccnc1 34a_100000210849_100000753385 [0,1,0,0,0,1|2,0,0]=4 5648 B13R1.351 CC(C)C(=O)COc1cccnc1 7a_100000210849_100000753385 [0,1,0,0,0,1|2,0,0]=4 5649 B13R1.351 CC(C)C(=O)COc1ccncc1 34a_100000212176_100000753385 [0,1,0,0,0,1|2,0,0]=4 5650 B13R1.351 CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000210206 [0,1,0,0,0,1|1,0,0]=3 5651 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000719477_100000753385 [0,1,0,0,0,1|1,0,0]=3 5652 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000753385_100000041952 [0,1,0,0,0,1|1,0,0]=3 5653 B13R1.351 CC(C)C(=O)CSc1ccccn1 1458a_100000156281_100000210206 [0,1,0,0,0,1|2,0,0]=4 5654 B13R1.351 CC(C)C(=O)CSc1ccccn1 62a_100000753385_100011216584 [0,1,0,0,0,1|2,0,0]=4 5655 B13R1.351 CC(C)C(=O)CSc1ccccn1 62a_100011216584_100000753385 [0,1,0,0,0,1|2,0,0]=4 5656 B13R1.351 CC(C)C(=O)CSc1cccnc1 62a_100000210063_100000753385 [0,1,0,0,0,1|2,0,0]=4 5657 B13R1.351 CC(C)C(=O)CSc1cccnc1 62a_100000753385_100000210063 [0,1,0,0,0,1|2,0,0]=4 5658 B13R1.351 CC(C)C(=O)CSc1ccncc1 1458a_100000211328_100000210206 [0,1,0,0,0,1|2,0,0]=4 5659 B13R1.351 CC(C)C(=O)CSc1ccncc1 62a_100000728582_100000753385 [0,1,0,0,0,1|2,0,0]=4 5660 B13R1.351 CC(C)C(=O)CSc1ccncc1 62a_100000753385_100000728582 [0,1,0,0,0,1|2,0,0]=4 5661 B13R1.351 CC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210198 [0,1,0,0,0,1|1,0,0]=3 5662 B13R1.351 CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210198 [0,1,0,0,0,1|1,0,0]=3 5663 B13R1.351 CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210198 [0,1,0,0,0,1|1,0,0]=3 5664 B13R1.351 CC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210198 [0,1,0,0,0,1|1,0,0]=3 5665 B13R1.351 CC(C)C(=O)NCc1ccccn1 11a_100000210449_100000210198 [0,1,0,0,0,1|2,0,0]=4 5666 B13R1.351 CC(C)C(=O)NCc1ccccn1 1626a_100000210449_100000210198 [0,1,0,0,0,1|2,0,0]=4 5667 B13R1.351 CC(C)C(=O)NCc1ccccn1 240690a_100000210449_100000210198 [0,1,0,0,0,1|2,0,0]=4 5668 B13R1.351 CC(C)C(=O)NCc1ccccn1 527a_100000210449_100000210198 [0,1,0,0,0,1|2,0,0]=4 5669 B13R1.351 CC(C)C(=O)NCc1cccnc1 11a_100000210453_100000210198 [0,1,0,0,0,1|2,0,0]=4 5670 B13R1.351 CC(C)C(=O)NCc1cccnc1 240690a_100000210453_100000210198 [0,1,0,0,0,1|2,0,0]=4 5671 B13R1.351 CC(C)C(=O)NCc1cccnc1 527a_100000210453_100000210198 [0,1,0,0,0,1|2,0,0]=4 5672 B13R1.351 CC(C)C(=O)NCc1ccncc1 11a_100000210450_100000210198 [0,1,0,0,0,1|2,0,0]=4 5673 B13R1.351 CC(C)C(=O)NCc1ccncc1 1626a_100000210450_100000210198 [0,1,0,0,0,1|2,0,0]=4 5674 B13R1.351 CC(C)C(=O)NCc1ccncc1 240690a_100000210450_100000210198 [0,1,0,0,0,1|2,0,0]=4 5675 B13R1.351 CC(C)C(=O)NCc1ccncc1 527a_100000210450_100000210198 [0,1,0,0,0,1|2,0,0]=4 5676 B13R1.351 CC(C)C(=O)NNc1ccccc1 22a_100015195140_100000210198 [0,1,0,0,0,1|2,0,0]=4 5677 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [0,1,0,0,0,1|1,0,0]=3 5678 B13R1.351 CC(F)C(=O)CCc1ccccn1 1458a_100000062450_100015183660 [0,1,0,0,0,1|2,0,0]=4 5679 B13R1.351 CC(F)C(=O)CCc1cccnc1 1458a_100000062450_200011713674 [0,1,0,0,0,1|2,0,0]=4 5680 B13R1.351 CC(F)C(=O)CCc1ccncc1 1458a_100000062450_100000723409 [0,1,0,0,0,1|2,0,0]=4 5681 B13R1.351 CC(F)C(=O)NCc1ccccc1 11a_100015324214_100000062450 [0,1,0,0,0,1|1,0,0]=3 5682 B13R1.351 CC(F)C(=O)NCc1ccccc1 1626a_100015324214_100000062450 [0,1,0,0,0,1|1,0,0]=3 5683 B13R1.351 CC(F)C(=O)NCc1ccccc1 240690a_100015324214_100000062450 [0,1,0,0,0,1|1,0,0]=3 5684 B13R1.351 CC(F)C(=O)NCc1ccccc1 527a_100015324214_100000062450 [0,1,0,0,0,1|1,0,0]=3 5685 B13R1.351 CC(F)C(=O)NCc1ccccn1 11a_100000210449_100000062450 [0,1,0,0,0,1|2,0,0]=4 5686 B13R1.351 CC(F)C(=O)NCc1ccccn1 1626a_100000210449_100000062450 [0,1,0,0,0,1|2,0,0]=4 5687 B13R1.351 CC(F)C(=O)NCc1ccccn1 240690a_100000210449_100000062450 [0,1,0,0,0,1|2,0,0]=4 5688 B13R1.351 CC(F)C(=O)NCc1ccccn1 527a_100000210449_100000062450 [0,1,0,0,0,1|2,0,0]=4 5689 B13R1.351 CC(F)C(=O)NCc1cccnc1 11a_100000210453_100000062450 [0,1,0,0,0,1|2,0,0]=4 5690 B13R1.351 CC(F)C(=O)NCc1cccnc1 240690a_100000210453_100000062450 [0,1,0,0,0,1|2,0,0]=4 5691 B13R1.351 CC(F)C(=O)NCc1cccnc1 527a_100000210453_100000062450 [0,1,0,0,0,1|2,0,0]=4 5692 B13R1.351 CC(F)C(=O)NCc1ccncc1 11a_100000210450_100000062450 [0,1,0,0,0,1|2,0,0]=4 5693 B13R1.351 CC(F)C(=O)NCc1ccncc1 1626a_100000210450_100000062450 [0,1,0,0,0,1|2,0,0]=4 5694 B13R1.351 CC(F)C(=O)NCc1ccncc1 240690a_100000210450_100000062450 [0,1,0,0,0,1|2,0,0]=4 5695 B13R1.351 CC(F)C(=O)NCc1ccncc1 527a_100000210450_100000062450 [0,1,0,0,0,1|2,0,0]=4 5696 B13R1.351 CC(F)C(=O)NNc1ccccc1 22a_100015195140_100000062450 [0,1,0,0,0,1|2,0,0]=4 5697 B13R1.351 CN(C)C(=O)C#Cc1ccccc1 240690a_100102631434_100000736102 [0,1,0,0,0,1|1,0,1]=4 5698 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [0,1,0,0,0,1|1,0,1]=4 5699 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [0,1,0,0,0,1|1,0,1]=4 5700 B13R1.351 CN(C)C(=O)CCc1ccccc1 11a_100102631434_100000185753 [0,1,0,0,0,1|1,0,0]=3 5701 B13R1.351 CN(C)C(=O)CCc1ccccc1 1626a_100102631434_100000185753 [0,1,0,0,0,1|1,0,0]=3 5702 B13R1.351 CN(C)C(=O)CCc1ccccc1 240690a_100102631434_100000185753 [0,1,0,0,0,1|1,0,0]=3 5703 B13R1.351 CN(C)C(=O)CCc1ccccc1 271570a_200010232142_100000210277 [0,1,0,0,0,1|1,0,0]=3 5704 B13R1.351 CN(C)C(=O)CCc1ccccc1 527a_100102631434_100000185753 [0,1,0,0,0,1|1,0,0]=3 5705 B13R1.351 CN(C)C(=O)CCc1ccccn1 11a_100102631434_100015195070 [0,1,0,0,0,1|2,0,0]=4 5706 B13R1.351 CN(C)C(=O)CCc1ccccn1 240690a_100102631434_100015195070 [0,1,0,0,0,1|2,0,0]=4 5707 B13R1.351 CN(C)C(=O)CCc1ccccn1 271570a_200010232142_100011216584 [0,1,0,0,0,1|2,0,0]=4 5708 B13R1.351 CN(C)C(=O)CCc1ccccn1 527a_100102631434_100015195070 [0,1,0,0,0,1|2,0,0]=4 5709 B13R1.351 CN(C)C(=O)CCc1cccnc1 11a_100102631434_100000198484 [0,1,0,0,0,1|2,0,0]=4 5710 B13R1.351 CN(C)C(=O)CCc1cccnc1 1626a_100102631434_100000198484 [0,1,0,0,0,1|2,0,0]=4 5711 B13R1.351 CN(C)C(=O)CCc1cccnc1 240690a_100102631434_100000198484 [0,1,0,0,0,1|2,0,0]=4 5712 B13R1.351 CN(C)C(=O)CCc1cccnc1 271570a_200010232142_100000752921 [0,1,0,0,0,1|2,0,0]=4 5713 B13R1.351 CN(C)C(=O)CCc1cccnc1 527a_100102631434_100000198484 [0,1,0,0,0,1|2,0,0]=4 5714 B13R1.351 CN(C)C(=O)CCc1ccncc1 11a_100102631434_100011225043 [0,1,0,0,0,1|2,0,0]=4 5715 B13R1.351 CN(C)C(=O)CCc1ccncc1 240690a_100102631434_100011225043 [0,1,0,0,0,1|2,0,0]=4 5716 B13R1.351 CN(C)C(=O)CCc1ccncc1 271570a_200010232142_100000035832 [0,1,0,0,0,1|2,0,0]=4 5717 B13R1.351 CN(C)C(=O)CCc1ccncc1 527a_100102631434_100011225043 [0,1,0,0,0,1|2,0,0]=4 5718 B13R1.351 CN(C)C(=O)CNc1ccccc1 34a_100000106764_100000692301 [0,1,0,0,0,1|1,0,0]=3 5719 B13R1.351 CN(C)C(=O)COc1ccccc1 11a_100102631434_100000186222 [0,1,0,0,0,1|1,0,0]=3 5720 B13R1.351 CN(C)C(=O)COc1ccccc1 1626a_100102631434_100000186222 [0,1,0,0,0,1|1,0,0]=3 5721 B13R1.351 CN(C)C(=O)COc1ccccc1 240690a_100102631434_100000186222 [0,1,0,0,0,1|1,0,0]=3 5722 B13R1.351 CN(C)C(=O)COc1ccccc1 34a_100000210340_100000692301 [0,1,0,0,0,1|1,0,0]=3 5723 B13R1.351 CN(C)C(=O)COc1ccccc1 527a_100102631434_100000186222 [0,1,0,0,0,1|1,0,0]=3 5724 B13R1.351 CN(C)C(=O)COc1ccccc1 7a_100000210340_100000692301 [0,1,0,0,0,1|1,0,0]=3 5725 B13R1.351 CN(C)C(=O)COc1ccccn1 1626a_100102631434_100102699861 [0,1,0,0,0,1|2,0,0]=4 5726 B13R1.351 CN(C)C(=O)COc1ccccn1 240690a_100102631434_100102699861 [0,1,0,0,0,1|2,0,0]=4 5727 B13R1.351 CN(C)C(=O)COc1ccccn1 527a_100102631434_100102699861 [0,1,0,0,0,1|2,0,0]=4 5728 B13R1.351 CN(C)C(=O)COc1cccnc1 11a_100102631434_100015207166 [0,1,0,0,0,1|2,0,0]=4 5729 B13R1.351 CN(C)C(=O)COc1cccnc1 1626a_100102631434_100015207166 [0,1,0,0,0,1|2,0,0]=4 5730 B13R1.351 CN(C)C(=O)COc1cccnc1 240690a_100102631434_100015207166 [0,1,0,0,0,1|2,0,0]=4 5731 B13R1.351 CN(C)C(=O)COc1cccnc1 34a_100000210849_100000692301 [0,1,0,0,0,1|2,0,0]=4 5732 B13R1.351 CN(C)C(=O)COc1cccnc1 527a_100102631434_100015207166 [0,1,0,0,0,1|2,0,0]=4 5733 B13R1.351 CN(C)C(=O)COc1cccnc1 7a_100000210849_100000692301 [0,1,0,0,0,1|2,0,0]=4 5734 B13R1.351 CN(C)C(=O)COc1ccncc1 34a_100000212176_100000692301 [0,1,0,0,0,1|2,0,0]=4 5735 B13R1.351 CN(C)C(=O)CSc1ccccc1 11a_100102631434_100000211596 [0,1,0,0,0,1|1,0,0]=3 5736 B13R1.351 CN(C)C(=O)CSc1ccccc1 1626a_100102631434_100000211596 [0,1,0,0,0,1|1,0,0]=3 5737 B13R1.351 CN(C)C(=O)CSc1ccccc1 240690a_100102631434_100000211596 [0,1,0,0,0,1|1,0,0]=3 5738 B13R1.351 CN(C)C(=O)CSc1ccccc1 527a_100102631434_100000211596 [0,1,0,0,0,1|1,0,0]=3 5739 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000692301_100000041952 [0,1,0,0,0,1|1,0,0]=3 5740 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000719477_100000692301 [0,1,0,0,0,1|1,0,0]=3 5741 B13R1.351 CN(C)C(=O)CSc1ccccn1 11a_100102631434_100000156281 [0,1,0,0,0,1|2,0,0]=4 5742 B13R1.351 CN(C)C(=O)CSc1ccccn1 240690a_100102631434_100000156281 [0,1,0,0,0,1|2,0,0]=4 5743 B13R1.351 CN(C)C(=O)CSc1ccccn1 527a_100102631434_100000156281 [0,1,0,0,0,1|2,0,0]=4 5744 B13R1.351 CN(C)C(=O)CSc1ccccn1 62a_100000692301_100011216584 [0,1,0,0,0,1|2,0,0]=4 5745 B13R1.351 CN(C)C(=O)CSc1ccccn1 62a_100011216584_100000692301 [0,1,0,0,0,1|2,0,0]=4 5746 B13R1.351 CN(C)C(=O)CSc1cccnc1 62a_100000210063_100000692301 [0,1,0,0,0,1|2,0,0]=4 5747 B13R1.351 CN(C)C(=O)CSc1cccnc1 62a_100000692301_100000210063 [0,1,0,0,0,1|2,0,0]=4 5748 B13R1.351 CN(C)C(=O)CSc1ccncc1 11a_100102631434_100000211328 [0,1,0,0,0,1|2,0,0]=4 5749 B13R1.351 CN(C)C(=O)CSc1ccncc1 1626a_100102631434_100000211328 [0,1,0,0,0,1|2,0,0]=4 5750 B13R1.351 CN(C)C(=O)CSc1ccncc1 240690a_100102631434_100000211328 [0,1,0,0,0,1|2,0,0]=4 5751 B13R1.351 CN(C)C(=O)CSc1ccncc1 527a_100102631434_100000211328 [0,1,0,0,0,1|2,0,0]=4 5752 B13R1.351 CN(C)C(=O)CSc1ccncc1 62a_100000692301_100000728582 [0,1,0,0,0,1|2,0,0]=4 5753 B13R1.351 CN(C)C(=O)CSc1ccncc1 62a_100000728582_100000692301 [0,1,0,0,0,1|2,0,0]=4 5754 B13R1.351 CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100102631434 [0,1,0,0,0,1|1,0,0]=3 5755 B13R1.351 CN(C)C(=O)NCc1ccccn1 2708a_100000210449_100102631434 [0,1,0,0,0,1|2,0,0]=4 5756 B13R1.351 CN(C)C(=O)NCc1cccnc1 2708a_100000210453_100102631434 [0,1,0,0,0,1|2,0,0]=4 5757 B13R1.351 CN(C)C(=O)NCc1ccncc1 2708a_100000210450_100102631434 [0,1,0,0,0,1|2,0,0]=4 5758 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,1,0,0,0,1|1,0,0]=3 5759 B13R1.351 C[C@@H](O)C(=O)CCc1ccccn1 1458a_100000717761_100015183660 [0,1,0,0,0,1|2,0,0]=4 5760 B13R1.351 C[C@@H](O)C(=O)CCc1cccnc1 1458a_100000717761_200011713674 [0,1,0,0,0,1|2,0,0]=4 5761 B13R1.351 C[C@@H](O)C(=O)CCc1ccncc1 1458a_100000717761_100000723409 [0,1,0,0,0,1|2,0,0]=4 5762 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,1,0,0,0,1|1,0,0]=3 5763 B13R1.351 C[C@@H](O)C(=O)NCc1ccccn1 240690a_100000210449_100000717761 [0,1,0,0,0,1|2,0,0]=4 5764 B13R1.351 C[C@@H](O)C(=O)NCc1cccnc1 240690a_100000210453_100000717761 [0,1,0,0,0,1|2,0,0]=4 5765 B13R1.351 C[C@@H](O)C(=O)NCc1ccncc1 240690a_100000210450_100000717761 [0,1,0,0,0,1|2,0,0]=4 5766 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [0,1,0,0,0,1|2,0,0]=4 5767 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,1,0,0,0,1|1,0,0]=3 5768 B13R1.351 C[C@H](O)C(=O)CCc1ccccn1 1458a_217856618621_100015183660 [0,1,0,0,0,1|2,0,0]=4 5769 B13R1.351 C[C@H](O)C(=O)CCc1cccnc1 1458a_217856618621_200011713674 [0,1,0,0,0,1|2,0,0]=4 5770 B13R1.351 C[C@H](O)C(=O)CCc1ccncc1 1458a_217856618621_100000723409 [0,1,0,0,0,1|2,0,0]=4 5771 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,1,0,0,0,1|1,0,0]=3 5772 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,1,0,0,0,1|1,0,0]=3 5773 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 1626a_100000210449_217856618621 [0,1,0,0,0,1|2,0,0]=4 5774 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 240690a_100000210449_217856618621 [0,1,0,0,0,1|2,0,0]=4 5775 B13R1.351 C[C@H](O)C(=O)NCc1cccnc1 240690a_100000210453_217856618621 [0,1,0,0,0,1|2,0,0]=4 5776 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 1626a_100000210450_217856618621 [0,1,0,0,0,1|2,0,0]=4 5777 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 240690a_100000210450_217856618621 [0,1,0,0,0,1|2,0,0]=4 5778 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [0,1,0,0,0,1|2,0,0]=4 5779 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,1,0,0,0,1|2,0,0]=4 5780 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,1,0,0,0,1|2,0,0]=4 5781 B13R1.351 O=C(NCc1ccccc1)C(F)F 11a_100015324214_100000210393 [0,1,0,0,0,1|2,0,0]=4 5782 B13R1.351 O=C(NCc1ccccc1)C(F)F 1626a_100015324214_100000210393 [0,1,0,0,0,1|2,0,0]=4 5783 B13R1.351 O=C(NCc1ccccc1)C(F)F 240690a_100015324214_100000210393 [0,1,0,0,0,1|2,0,0]=4 5784 B13R1.351 O=C(NCc1ccccc1)C(F)F 527a_100015324214_100000210393 [0,1,0,0,0,1|2,0,0]=4 5785 B13R1.351 O=C(NCc1ccccc1)C(O)O 240690a_100015324214_100000233687 [0,1,0,0,0,1|2,0,0]=4 5786 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,1|1,0,1]=4 5787 B13R1.417 COC(CNc1ccccc1)OC 34a_100000106764_100000211822 [0,1,0,0,0,1|0,0,2]=4 5788 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,1,0,0,0,1|0,0,2]=4 5789 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,1,0,0,0,1|0,0,2]=4 5790 B13R1.417 COC(CSc1ccccc1)OC 62a_100000719477_100000751394 [0,1,0,0,0,1|0,0,2]=4 5791 B13R1.417 COC(CSc1ccccc1)OC 62a_100000751394_100000041952 [0,1,0,0,0,1|0,0,2]=4 5792 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,1|1,0,1]=4 5793 B13R1.528 C#CC(=O)CCc1ccccc1Br 1458a_100000211873_100012161201 [0,1,0,0,0,1|1,0,1]=4 5794 B13R1.528 C#CC(=O)CCc1ccccc1C 1458a_100000211873_100011713688 [0,1,0,0,0,1|1,0,1]=4 5795 B13R1.528 C#CC(=O)CCc1ccccc1Cl 1458a_100000211873_100011713703 [0,1,0,0,0,1|1,0,1]=4 5796 B13R1.528 C#CC(=O)CCc1ccccc1F 1458a_100000211873_100000720011 [0,1,0,0,0,1|1,0,1]=4 5797 B13R1.528 C#CC(=O)CCc1ccccc1O 1458a_100000211873_100000722297 [0,1,0,0,0,1|1,0,1]=4 5798 B13R1.528 C=CC(=O)CCc1ccccc1Br 1458a_100000185746_100012161201 [0,1,0,0,0,1|1,0,1]=4 5799 B13R1.528 C=CC(=O)CCc1ccccc1C 1458a_100000185746_100011713688 [0,1,0,0,0,1|1,0,1]=4 5800 B13R1.528 C=CC(=O)CCc1ccccc1Cl 1458a_100000185746_100011713703 [0,1,0,0,0,1|1,0,1]=4 5801 B13R1.528 C=CC(=O)CCc1ccccc1F 1458a_100000185746_100000720011 [0,1,0,0,0,1|1,0,1]=4 5802 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,1,0,0,0,1|1,0,1]=4 5803 B13R1.528 C=CC(=O)NCc1ccccc1Br 1626a_100000689332_100000185746 [0,1,0,0,0,1|1,0,1]=4 5804 B13R1.528 C=CC(=O)NCc1ccccc1Br 240690a_100000689332_200121576911 [0,1,0,0,0,1|1,0,1]=4 5805 B13R1.528 C=CC(=O)NCc1ccccc1C 1626a_100000174972_100000185746 [0,1,0,0,0,1|1,0,1]=4 5806 B13R1.528 C=CC(=O)NCc1ccccc1C 240690a_100000174972_200121576911 [0,1,0,0,0,1|1,0,1]=4 5807 B13R1.528 C=CC(=O)NCc1ccccc1Cl 1626a_100000174879_100000185746 [0,1,0,0,0,1|1,0,1]=4 5808 B13R1.528 C=CC(=O)NCc1ccccc1Cl 240690a_100000174879_200121576911 [0,1,0,0,0,1|1,0,1]=4 5809 B13R1.528 C=CC(=O)NCc1ccccc1F 1626a_100000174869_100000185746 [0,1,0,0,0,1|1,0,1]=4 5810 B13R1.528 C=CC(=O)NCc1ccccc1F 240690a_100000174869_200121576911 [0,1,0,0,0,1|1,0,1]=4 5811 B13R1.528 C=CC(=O)NCc1ccccc1I 1626a_100015347259_100000185746 [0,1,0,0,0,1|1,0,1]=4 5812 B13R1.528 C=CC(=O)NCc1ccccc1I 240690a_100015347259_200121576911 [0,1,0,0,0,1|1,0,1]=4 5813 B13R1.528 C=CC(=O)NCc1ccccc1O 240690a_100000185550_200121576911 [0,1,0,0,0,1|1,0,1]=4 5814 B13R1.528 CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210202 [0,1,0,0,0,1|1,0,1]=4 5815 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,1,0,0,0,1|1,0,1]=4 5816 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,1,0,0,0,1|1,0,1]=4 5817 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,1,0,0,0,1|1,0,1]=4 5818 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,0,0,0,1|1,0,1]=4 5819 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,1,0,0,0,1|1,0,0]=3 5820 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,1,0,0,0,1|1,0,0]=3 5821 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,1,0,0,0,1|1,0,0]=3 5822 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,1,0,0,0,1|1,0,0]=3 5823 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,1,0,0,0,1|1,0,0]=3 5824 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,1,0,0,0,1|1,0,0]=3 5825 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,1,0,0,0,1|1,0,0]=3 5826 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,1,0,0,0,1|1,0,0]=3 5827 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,1,0,0,0,1|1,0,0]=3 5828 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,1,0,0,0,1|1,0,0]=3 5829 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,1,0,0,0,1|1,0,0]=3 5830 B13R1.528 CCC(=O)CCn1ccccc1=O 1458a_100000738505_100000210202 [0,1,0,0,0,1|2,0,0]=4 5831 B13R1.528 CCC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000747405 [0,1,0,0,0,1|2,0,0]=4 5832 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [0,1,0,0,0,1|1,0,0]=3 5833 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [0,1,0,0,0,1|1,0,0]=3 5834 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [0,1,0,0,0,1|1,0,0]=3 5835 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [0,1,0,0,0,1|1,0,0]=3 5836 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [0,1,0,0,0,1|1,0,0]=3 5837 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [0,1,0,0,0,1|1,0,0]=3 5838 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [0,1,0,0,0,1|1,0,0]=3 5839 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [0,1,0,0,0,1|1,0,0]=3 5840 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [0,1,0,0,0,1|1,0,0]=3 5841 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [0,1,0,0,0,1|1,0,0]=3 5842 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,1,0,0,0,1|1,0,0]=3 5843 B13R1.528 CCC(=O)COc1cccnc1Br 7a_100000744436_100000747405 [0,1,0,0,0,1|2,0,0]=4 5844 B13R1.528 CCC(=O)COc1cccnc1C 7a_100000745507_100000747405 [0,1,0,0,0,1|2,0,0]=4 5845 B13R1.528 CCC(=O)COc1cccnc1Cl 7a_100000757616_100000747405 [0,1,0,0,0,1|2,0,0]=4 5846 B13R1.528 CCC(=O)COc1cccnc1F 7a_100000061740_100000747405 [0,1,0,0,0,1|2,0,0]=4 5847 B13R1.528 CCC(=O)COc1cccnc1I 7a_100000034122_100000747405 [0,1,0,0,0,1|2,0,0]=4 5848 B13R1.528 CCC(=O)COc1cccnc1N 7a_100000211975_100000747405 [0,1,0,0,0,1|2,0,0]=4 5849 B13R1.528 CCC(=O)COc1cccoc1=O 7a_100000077404_100000747405 [0,1,0,0,0,1|2,0,0]=4 5850 B13R1.528 CCC(=O)COc1cnccc1C 7a_100011997053_100000747405 [0,1,0,0,0,1|2,0,0]=4 5851 B13R1.528 CCC(=O)CSc1c[nH]ccc1=O 62a_100000747405_100009998708 [0,1,0,0,0,1|2,0,0]=4 5852 B13R1.528 CCC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000747405 [0,1,0,0,0,1|2,0,0]=4 5853 B13R1.528 CCC(=O)CSc1c[nH]ccc1=S 62a_100000747405_200012280681 [0,1,0,0,0,1|2,0,0]=4 5854 B13R1.528 CCC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000747405 [0,1,0,0,0,1|2,0,0]=4 5855 B13R1.528 CCC(=O)CSc1cccc[n+]1C 62a_100000747405_100000212160 [0,1,0,0,0,1|2,0,0]=4 5856 B13R1.528 CCC(=O)CSc1cccc[n+]1[O-] 62a_100000747405_200000042595 [0,1,0,0,0,1|2,0,0]=4 5857 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000695589_100000747405 [0,1,0,0,0,1|1,0,0]=3 5858 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000747405_100000695589 [0,1,0,0,0,1|1,0,0]=3 5859 B13R1.528 CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210202 [0,1,0,0,0,1|1,0,0]=3 5860 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000210755_100000747405 [0,1,0,0,0,1|1,0,0]=3 5861 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000747405_100000210755 [0,1,0,0,0,1|1,0,0]=3 5862 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000747405_100000764095 [0,1,0,0,0,1|1,0,0]=3 5863 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747405 [0,1,0,0,0,1|1,0,0]=3 5864 B13R1.528 CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210202 [0,1,0,0,0,1|1,0,0]=3 5865 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100000747405_100011215700 [0,1,0,0,0,1|1,0,0]=3 5866 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100011215700_100000747405 [0,1,0,0,0,1|1,0,0]=3 5867 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000210017_100000747405 [0,1,0,0,0,1|1,0,0]=3 5868 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000747405_100000210017 [0,1,0,0,0,1|1,0,0]=3 5869 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [0,1,0,0,0,1|1,0,0]=3 5870 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [0,1,0,0,0,1|1,0,0]=3 5871 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [0,1,0,0,0,1|1,0,0]=3 5872 B13R1.528 CCC(=O)CSc1cccnc1Br 62a_100000747405_100010202626 [0,1,0,0,0,1|2,0,0]=4 5873 B13R1.528 CCC(=O)CSc1cccnc1Br 62a_100010202626_100000747405 [0,1,0,0,0,1|2,0,0]=4 5874 B13R1.528 CCC(=O)CSc1cccnc1C 62a_100000747405_100000751574 [0,1,0,0,0,1|2,0,0]=4 5875 B13R1.528 CCC(=O)CSc1cccnc1C 62a_100000751574_100000747405 [0,1,0,0,0,1|2,0,0]=4 5876 B13R1.528 CCC(=O)CSc1cccnc1Cl 62a_100000036424_100000747405 [0,1,0,0,0,1|2,0,0]=4 5877 B13R1.528 CCC(=O)CSc1cccnc1Cl 62a_100000747405_100000036424 [0,1,0,0,0,1|2,0,0]=4 5878 B13R1.528 CCC(=O)CSc1cccnc1F 62a_100000747405_100009816115 [0,1,0,0,0,1|2,0,0]=4 5879 B13R1.528 CCC(=O)CSc1cccnc1F 62a_100009816115_100000747405 [0,1,0,0,0,1|2,0,0]=4 5880 B13R1.528 CCC(=O)CSc1cccnc1N 62a_100000045569_100000747405 [0,1,0,0,0,1|2,0,0]=4 5881 B13R1.528 CCC(=O)CSc1cccnc1N 62a_100000747405_100000045569 [0,1,0,0,0,1|2,0,0]=4 5882 B13R1.528 CCC(=O)CSc1cccnc1O 62a_100000747405_100000760158 [0,1,0,0,0,1|2,0,0]=4 5883 B13R1.528 CCC(=O)CSc1cccnc1O 62a_100000760158_100000747405 [0,1,0,0,0,1|2,0,0]=4 5884 B13R1.528 CCC(=O)CSc1ccncc1Br 62a_100000726257_100000747405 [0,1,0,0,0,1|2,0,0]=4 5885 B13R1.528 CCC(=O)CSc1ccncc1Br 62a_100000747405_100000726257 [0,1,0,0,0,1|2,0,0]=4 5886 B13R1.528 CCC(=O)CSc1ccncc1C 62a_100000747405_100000765111 [0,1,0,0,0,1|2,0,0]=4 5887 B13R1.528 CCC(=O)CSc1ccncc1C 62a_100000765111_100000747405 [0,1,0,0,0,1|2,0,0]=4 5888 B13R1.528 CCC(=O)CSc1ccncc1Cl 62a_100000708259_100000747405 [0,1,0,0,0,1|2,0,0]=4 5889 B13R1.528 CCC(=O)CSc1ccncc1Cl 62a_100000747405_100000708259 [0,1,0,0,0,1|2,0,0]=4 5890 B13R1.528 CCC(=O)CSc1ccncc1F 62a_100000047030_100000747405 [0,1,0,0,0,1|2,0,0]=4 5891 B13R1.528 CCC(=O)CSc1ccncc1F 62a_100000747405_100000047030 [0,1,0,0,0,1|2,0,0]=4 5892 B13R1.528 CCC(=O)CSc1ccncc1N 62a_100000747405_100000756074 [0,1,0,0,0,1|2,0,0]=4 5893 B13R1.528 CCC(=O)CSc1ccncc1N 62a_100000756074_100000747405 [0,1,0,0,0,1|2,0,0]=4 5894 B13R1.528 CCC(=O)CSc1ccncc1O 62a_100000747405_100009817591 [0,1,0,0,0,1|2,0,0]=4 5895 B13R1.528 CCC(=O)CSc1ccncc1O 62a_100009817591_100000747405 [0,1,0,0,0,1|2,0,0]=4 5896 B13R1.528 CCC(=O)CSc1cnccc1Br 62a_100000747405_100010138639 [0,1,0,0,0,1|2,0,0]=4 5897 B13R1.528 CCC(=O)CSc1cnccc1Br 62a_100010138639_100000747405 [0,1,0,0,0,1|2,0,0]=4 5898 B13R1.528 CCC(=O)CSc1cnccc1C 62a_100000747405_100000761580 [0,1,0,0,0,1|2,0,0]=4 5899 B13R1.528 CCC(=O)CSc1cnccc1C 62a_100000761580_100000747405 [0,1,0,0,0,1|2,0,0]=4 5900 B13R1.528 CCC(=O)CSc1cnccc1Cl 62a_100000747405_100009995489 [0,1,0,0,0,1|2,0,0]=4 5901 B13R1.528 CCC(=O)CSc1cnccc1Cl 62a_100009995489_100000747405 [0,1,0,0,0,1|2,0,0]=4 5902 B13R1.528 CCC(=O)CSc1cnccc1F 62a_100000747405_100009820683 [0,1,0,0,0,1|2,0,0]=4 5903 B13R1.528 CCC(=O)CSc1cnccc1F 62a_100009820683_100000747405 [0,1,0,0,0,1|2,0,0]=4 5904 B13R1.528 CCC(=O)CSc1cnccc1N 62a_100000047001_100000747405 [0,1,0,0,0,1|2,0,0]=4 5905 B13R1.528 CCC(=O)CSc1cnccc1N 62a_100000747405_100000047001 [0,1,0,0,0,1|2,0,0]=4 5906 B13R1.528 CCC(=O)CSc1ncccc1Br 62a_100000696092_100000747405 [0,1,0,0,0,1|2,0,0]=4 5907 B13R1.528 CCC(=O)CSc1ncccc1Br 62a_100000747405_100000696092 [0,1,0,0,0,1|2,0,0]=4 5908 B13R1.528 CCC(=O)CSc1ncccc1C 62a_100000747405_100000751373 [0,1,0,0,0,1|2,0,0]=4 5909 B13R1.528 CCC(=O)CSc1ncccc1C 62a_100000751373_100000747405 [0,1,0,0,0,1|2,0,0]=4 5910 B13R1.528 CCC(=O)CSc1ncccc1Cl 62a_100000747405_100011356963 [0,1,0,0,0,1|2,0,0]=4 5911 B13R1.528 CCC(=O)CSc1ncccc1Cl 62a_100011356963_100000747405 [0,1,0,0,0,1|2,0,0]=4 5912 B13R1.528 CCC(=O)CSc1ncccc1F 62a_100000685392_100000747405 [0,1,0,0,0,1|2,0,0]=4 5913 B13R1.528 CCC(=O)CSc1ncccc1F 62a_100000747405_100000685392 [0,1,0,0,0,1|2,0,0]=4 5914 B13R1.528 CCC(=O)CSc1ncccc1N 62a_100000688686_100000747405 [0,1,0,0,0,1|2,0,0]=4 5915 B13R1.528 CCC(=O)CSc1ncccc1N 62a_100000747405_100000688686 [0,1,0,0,0,1|2,0,0]=4 5916 B13R1.528 CCC(=O)CSc1ncccc1O 62a_100000034122_100000747405 [0,1,0,0,0,1|2,0,0]=4 5917 B13R1.528 CCC(=O)CSc1ncccc1O 62a_100000747405_100000034122 [0,1,0,0,0,1|2,0,0]=4 5918 B13R1.528 CCC(=O)NCc1ccccc1Br 11a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 5919 B13R1.528 CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 5920 B13R1.528 CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 5921 B13R1.528 CCC(=O)NCc1ccccc1Br 527a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 5922 B13R1.528 CCC(=O)NCc1ccccc1C 11a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 5923 B13R1.528 CCC(=O)NCc1ccccc1C 1626a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 5924 B13R1.528 CCC(=O)NCc1ccccc1C 240690a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 5925 B13R1.528 CCC(=O)NCc1ccccc1C 527a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 5926 B13R1.528 CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 5927 B13R1.528 CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 5928 B13R1.528 CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 5929 B13R1.528 CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 5930 B13R1.528 CCC(=O)NCc1ccccc1F 11a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 5931 B13R1.528 CCC(=O)NCc1ccccc1F 1626a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 5932 B13R1.528 CCC(=O)NCc1ccccc1F 240690a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 5933 B13R1.528 CCC(=O)NCc1ccccc1F 527a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 5934 B13R1.528 CCC(=O)NCc1ccccc1I 11a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 5935 B13R1.528 CCC(=O)NCc1ccccc1I 1626a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 5936 B13R1.528 CCC(=O)NCc1ccccc1I 240690a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 5937 B13R1.528 CCC(=O)NCc1ccccc1I 527a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 5938 B13R1.528 CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210414 [0,1,0,0,0,1|1,0,0]=3 5939 B13R1.528 CCC(=O)NCc1ccccc1O 527a_100000185550_100000210414 [0,1,0,0,0,1|1,0,0]=3 5940 B13R1.528 CCC(=O)NCc1cccnc1Br 11a_100009818023_100000210414 [0,1,0,0,0,1|2,0,0]=4 5941 B13R1.528 CCC(=O)NCc1cccnc1Br 240690a_100009818023_100000210414 [0,1,0,0,0,1|2,0,0]=4 5942 B13R1.528 CCC(=O)NCc1cccnc1Br 527a_100009818023_100000210414 [0,1,0,0,0,1|2,0,0]=4 5943 B13R1.528 CCC(=O)NCc1cccnc1Cl 11a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 5944 B13R1.528 CCC(=O)NCc1cccnc1Cl 1626a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 5945 B13R1.528 CCC(=O)NCc1cccnc1Cl 240690a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 5946 B13R1.528 CCC(=O)NCc1cccnc1Cl 527a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 5947 B13R1.528 CCC(=O)NCc1cccnc1F 11a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 5948 B13R1.528 CCC(=O)NCc1cccnc1F 1626a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 5949 B13R1.528 CCC(=O)NCc1cccnc1F 240690a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 5950 B13R1.528 CCC(=O)NCc1cccnc1F 527a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 5951 B13R1.528 CCC(=O)NCc1ccncc1Br 11a_100020640021_100000210414 [0,1,0,0,0,1|2,0,0]=4 5952 B13R1.528 CCC(=O)NCc1ccncc1Br 240690a_100020640021_100000210414 [0,1,0,0,0,1|2,0,0]=4 5953 B13R1.528 CCC(=O)NCc1ccncc1Br 527a_100020640021_100000210414 [0,1,0,0,0,1|2,0,0]=4 5954 B13R1.528 CCC(=O)NCc1ccncc1C 11a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 5955 B13R1.528 CCC(=O)NCc1ccncc1C 1626a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 5956 B13R1.528 CCC(=O)NCc1ccncc1C 240690a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 5957 B13R1.528 CCC(=O)NCc1ccncc1C 527a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 5958 B13R1.528 CCC(=O)NCc1ccncc1F 11a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 5959 B13R1.528 CCC(=O)NCc1ccncc1F 1626a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 5960 B13R1.528 CCC(=O)NCc1ccncc1F 240690a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 5961 B13R1.528 CCC(=O)NCc1ccncc1F 527a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 5962 B13R1.528 CCC(=O)NCc1cnccc1C 11a_100011997553_100000210414 [0,1,0,0,0,1|2,0,0]=4 5963 B13R1.528 CCC(=O)NCc1cnccc1C 240690a_100011997553_100000210414 [0,1,0,0,0,1|2,0,0]=4 5964 B13R1.528 CCC(=O)NCc1cnccc1C 527a_100011997553_100000210414 [0,1,0,0,0,1|2,0,0]=4 5965 B13R1.528 CCC(=O)NCc1ncccc1Br 11a_100020591323_100000210414 [0,1,0,0,0,1|2,0,0]=4 5966 B13R1.528 CCC(=O)NCc1ncccc1Br 240690a_100020591323_100000210414 [0,1,0,0,0,1|2,0,0]=4 5967 B13R1.528 CCC(=O)NCc1ncccc1Br 527a_100020591323_100000210414 [0,1,0,0,0,1|2,0,0]=4 5968 B13R1.528 CCC(=O)NCc1ncccc1C 11a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 5969 B13R1.528 CCC(=O)NCc1ncccc1C 1626a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 5970 B13R1.528 CCC(=O)NCc1ncccc1C 240690a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 5971 B13R1.528 CCC(=O)NCc1ncccc1C 527a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 5972 B13R1.528 CCC(=O)NCc1ncccc1Cl 11a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 5973 B13R1.528 CCC(=O)NCc1ncccc1Cl 1626a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 5974 B13R1.528 CCC(=O)NCc1ncccc1Cl 240690a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 5975 B13R1.528 CCC(=O)NCc1ncccc1Cl 527a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 5976 B13R1.528 CCC(=O)NCc1ncccc1F 11a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 5977 B13R1.528 CCC(=O)NCc1ncccc1F 1626a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 5978 B13R1.528 CCC(=O)NCc1ncccc1F 240690a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 5979 B13R1.528 CCC(=O)NCc1ncccc1F 527a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 5980 B13R1.528 CCC(=O)NNc1ccccc1Br 22a_100000241748_100000210414 [0,1,0,0,0,1|2,0,0]=4 5981 B13R1.528 CCC(=O)NNc1ccccc1C 22a_100000184220_100000210414 [0,1,0,0,0,1|2,0,0]=4 5982 B13R1.528 CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210414 [0,1,0,0,0,1|2,0,0]=4 5983 B13R1.528 CCC(=O)NNc1ccccc1F 22a_100000239246_100000210414 [0,1,0,0,0,1|2,0,0]=4 5984 B13R1.528 CCC(=O)NNc1ccccc1I 22a_100011218156_100000210414 [0,1,0,0,0,1|2,0,0]=4 5985 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,1,0,0,0,1|1,0,1]=4 5986 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,1,0,0,0,1|1,0,1]=4 5987 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,1,0,0,0,1|1,0,1]=4 5988 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,1,0,0,0,1|1,0,1]=4 5989 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,1,0,0,0,1|1,0,1]=4 5990 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,1,0,0,0,1|1,0,1]=4 5991 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,1,0,0,0,1|1,0,1]=4 5992 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,1,0,0,0,1|1,0,1]=4 5993 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,1,0,0,0,1|1,0,1]=4 5994 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,1,0,0,0,1|1,0,1]=4 5995 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,1,0,0,0,1|1,0,0]=3 5996 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,1,0,0,0,1|1,0,0]=3 5997 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,1,0,0,0,1|1,0,0]=3 5998 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,1,0,0,0,1|1,0,0]=3 5999 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,1,0,0,0,1|1,0,0]=3 6000 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,1,0,0,0,1|1,0,0]=3 6001 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,1,0,0,0,1|1,0,0]=3 6002 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,1,0,0,0,1|1,0,0]=3 6003 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,1,0,0,0,1|1,0,0]=3 6004 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,1,0,0,0,1|1,0,0]=3 6005 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,1,0,0,0,1|1,0,0]=3 6006 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,1,0,0,0,1|1,0,0]=3 6007 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,1,0,0,0,1|1,0,0]=3 6008 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,1,0,0,0,1|1,0,0]=3 6009 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,1,0,0,0,1|1,0,0]=3 6010 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,1,0,0,0,1|1,0,0]=3 6011 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,1,0,0,0,1|1,0,0]=3 6012 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,1,0,0,0,1|1,0,0]=3 6013 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,1,0,0,0,1|1,0,0]=3 6014 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,1,0,0,0,1|1,0,0]=3 6015 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,1,0,0,0,1|1,0,0]=3 6016 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,1,0,0,0,1|1,0,0]=3 6017 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,1,0,0,0,1|1,0,0]=3 6018 B13R1.528 CNC(=O)CCn1ccccc1=O 11a_106832991635_100000738505 [0,1,0,0,0,1|2,0,0]=4 6019 B13R1.528 CNC(=O)CCn1ccccc1=O 1626a_100102657272_100000738505 [0,1,0,0,0,1|2,0,0]=4 6020 B13R1.528 CNC(=O)CCn1ccccc1=O 240690a_100102657272_100000738505 [0,1,0,0,0,1|2,0,0]=4 6021 B13R1.528 CNC(=O)CCn1ccccc1=O 527a_100102657272_100000738505 [0,1,0,0,0,1|2,0,0]=4 6022 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,1,0,0,0,1|1,0,0]=3 6023 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,1,0,0,0,1|1,0,0]=3 6024 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,1,0,0,0,1|1,0,0]=3 6025 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,1,0,0,0,1|1,0,0]=3 6026 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,1,0,0,0,1|1,0,0]=3 6027 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,1,0,0,0,1|1,0,0]=3 6028 B13R1.528 CNC(=O)CNc1ccncc1Br 27a_100000693194_100000726257 [0,1,0,0,0,1|2,0,0]=4 6029 B13R1.528 CNC(=O)CNc1ccncc1C 27a_100000693194_100000765111 [0,1,0,0,0,1|2,0,0]=4 6030 B13R1.528 CNC(=O)CNc1ccncc1F 27a_100000693194_100000035921 [0,1,0,0,0,1|2,0,0]=4 6031 B13R1.528 CNC(=O)CNc1ncccc1Br 27a_100000693194_100000696092 [0,1,0,0,0,1|2,0,0]=4 6032 B13R1.528 CNC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000183359 [0,1,0,0,0,1|2,0,0]=4 6033 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,1,0,0,0,1|1,0,0]=3 6034 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,1,0,0,0,1|1,0,0]=3 6035 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,1,0,0,0,1|1,0,0]=3 6036 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,1,0,0,0,1|1,0,0]=3 6037 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,1,0,0,0,1|1,0,0]=3 6038 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,1,0,0,0,1|1,0,0]=3 6039 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,1,0,0,0,1|1,0,0]=3 6040 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,1,0,0,0,1|1,0,0]=3 6041 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,1,0,0,0,1|1,0,0]=3 6042 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,1,0,0,0,1|1,0,0]=3 6043 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,1,0,0,0,1|1,0,0]=3 6044 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,1,0,0,0,1|1,0,0]=3 6045 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,1,0,0,0,1|1,0,0]=3 6046 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,1,0,0,0,1|1,0,0]=3 6047 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,1,0,0,0,1|1,0,0]=3 6048 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,1,0,0,0,1|1,0,0]=3 6049 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,1,0,0,0,1|1,0,0]=3 6050 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,1,0,0,0,1|1,0,0]=3 6051 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,1,0,0,0,1|1,0,0]=3 6052 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,1,0,0,0,1|1,0,0]=3 6053 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,1,0,0,0,1|1,0,0]=3 6054 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,1,0,0,0,1|1,0,0]=3 6055 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,1,0,0,0,1|1,0,0]=3 6056 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,1,0,0,0,1|1,0,0]=3 6057 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,1,0,0,0,1|1,0,0]=3 6058 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,1,0,0,0,1|1,0,0]=3 6059 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,1,0,0,0,1|1,0,0]=3 6060 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,1,0,0,0,1|1,0,0]=3 6061 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,1,0,0,0,1|1,0,0]=3 6062 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,1,0,0,0,1|1,0,0]=3 6063 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,1,0,0,0,1|1,0,0]=3 6064 B13R1.528 CNC(=O)COc1cccnc1Br 34a_100000744436_100000183359 [0,1,0,0,0,1|2,0,0]=4 6065 B13R1.528 CNC(=O)COc1cccnc1Br 7a_100000744436_100000183359 [0,1,0,0,0,1|2,0,0]=4 6066 B13R1.528 CNC(=O)COc1cccnc1C 34a_100000745507_100000183359 [0,1,0,0,0,1|2,0,0]=4 6067 B13R1.528 CNC(=O)COc1cccnc1C 7a_100000745507_100000183359 [0,1,0,0,0,1|2,0,0]=4 6068 B13R1.528 CNC(=O)COc1cccnc1Cl 34a_100000757616_100000183359 [0,1,0,0,0,1|2,0,0]=4 6069 B13R1.528 CNC(=O)COc1cccnc1Cl 7a_100000757616_100000183359 [0,1,0,0,0,1|2,0,0]=4 6070 B13R1.528 CNC(=O)COc1cccnc1F 34a_100000061740_100000183359 [0,1,0,0,0,1|2,0,0]=4 6071 B13R1.528 CNC(=O)COc1cccnc1F 7a_100000061740_100000183359 [0,1,0,0,0,1|2,0,0]=4 6072 B13R1.528 CNC(=O)COc1cccnc1I 34a_100000034122_100000183359 [0,1,0,0,0,1|2,0,0]=4 6073 B13R1.528 CNC(=O)COc1cccnc1I 7a_100000034122_100000183359 [0,1,0,0,0,1|2,0,0]=4 6074 B13R1.528 CNC(=O)COc1cccnc1N 34a_100000211975_100000183359 [0,1,0,0,0,1|2,0,0]=4 6075 B13R1.528 CNC(=O)COc1cccnc1N 7a_100000211975_100000183359 [0,1,0,0,0,1|2,0,0]=4 6076 B13R1.528 CNC(=O)COc1cccoc1=O 34a_100000077404_100000183359 [0,1,0,0,0,1|2,0,0]=4 6077 B13R1.528 CNC(=O)COc1cccoc1=O 7a_100000077404_100000183359 [0,1,0,0,0,1|2,0,0]=4 6078 B13R1.528 CNC(=O)COc1ccncc1Br 34a_100011996408_100000183359 [0,1,0,0,0,1|2,0,0]=4 6079 B13R1.528 CNC(=O)COc1ccncc1C 34a_100000694293_100000183359 [0,1,0,0,0,1|2,0,0]=4 6080 B13R1.528 CNC(=O)COc1ccncc1Cl 34a_100011997054_100000183359 [0,1,0,0,0,1|2,0,0]=4 6081 B13R1.528 CNC(=O)COc1ccncc1F 34a_200000081243_100000183359 [0,1,0,0,0,1|2,0,0]=4 6082 B13R1.528 CNC(=O)COc1cnccc1C 34a_100011997053_100000183359 [0,1,0,0,0,1|2,0,0]=4 6083 B13R1.528 CNC(=O)COc1cnccc1C 7a_100011997053_100000183359 [0,1,0,0,0,1|2,0,0]=4 6084 B13R1.528 CNC(=O)COc1cnccc1Cl 34a_100011996695_100000183359 [0,1,0,0,0,1|2,0,0]=4 6085 B13R1.528 CNC(=O)COc1cnccc1I 34a_100000050107_100000183359 [0,1,0,0,0,1|2,0,0]=4 6086 B13R1.528 CNC(=O)COc1cnccc1N 34a_100000753702_100000183359 [0,1,0,0,0,1|2,0,0]=4 6087 B13R1.528 CNC(=O)COc1coccc1=O 34a_100000060831_100000183359 [0,1,0,0,0,1|2,0,0]=4 6088 B13R1.528 CNC(=O)COc1ncccc1Cl 34a_100011290957_100000183359 [0,1,0,0,0,1|2,0,0]=4 6089 B13R1.528 CNC(=O)COc1ncccc1F 34a_100011219419_100000183359 [0,1,0,0,0,1|2,0,0]=4 6090 B13R1.528 CNC(=O)COc1ncccc1N 34a_100000746358_100000183359 [0,1,0,0,0,1|2,0,0]=4 6091 B13R1.528 CNC(=O)CSc1c[nH]ccc1=O 62a_100000183359_100009998708 [0,1,0,0,0,1|2,0,0]=4 6092 B13R1.528 CNC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000183359 [0,1,0,0,0,1|2,0,0]=4 6093 B13R1.528 CNC(=O)CSc1c[nH]ccc1=S 62a_100000183359_200012280681 [0,1,0,0,0,1|2,0,0]=4 6094 B13R1.528 CNC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000183359 [0,1,0,0,0,1|2,0,0]=4 6095 B13R1.528 CNC(=O)CSc1cccc[n+]1C 62a_100000183359_100000212160 [0,1,0,0,0,1|2,0,0]=4 6096 B13R1.528 CNC(=O)CSc1cccc[n+]1[O-] 62a_100000183359_200000042595 [0,1,0,0,0,1|2,0,0]=4 6097 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,1,0,0,0,1|1,0,0]=3 6098 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,1,0,0,0,1|1,0,0]=3 6099 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,1,0,0,0,1|1,0,0]=3 6100 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,1,0,0,0,1|1,0,0]=3 6101 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,1,0,0,0,1|1,0,0]=3 6102 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,1,0,0,0,1|1,0,0]=3 6103 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,1,0,0,0,1|1,0,0]=3 6104 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,1,0,0,0,1|1,0,0]=3 6105 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,1,0,0,0,1|1,0,0]=3 6106 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,1,0,0,0,1|1,0,0]=3 6107 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,1,0,0,0,1|1,0,0]=3 6108 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,1,0,0,0,1|1,0,0]=3 6109 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,1,0,0,0,1|1,0,0]=3 6110 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,1,0,0,0,1|1,0,0]=3 6111 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,1,0,0,0,1|1,0,0]=3 6112 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,1,0,0,0,1|1,0,0]=3 6113 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,1,0,0,0,1|1,0,0]=3 6114 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,1,0,0,0,1|1,0,0]=3 6115 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,1,0,0,0,1|1,0,0]=3 6116 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,1,0,0,0,1|1,0,0]=3 6117 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,1,0,0,0,1|1,0,0]=3 6118 B13R1.528 CNC(=O)CSc1cccnc1Br 62a_100000183359_100010202626 [0,1,0,0,0,1|2,0,0]=4 6119 B13R1.528 CNC(=O)CSc1cccnc1Br 62a_100010202626_100000183359 [0,1,0,0,0,1|2,0,0]=4 6120 B13R1.528 CNC(=O)CSc1cccnc1C 62a_100000183359_100000751574 [0,1,0,0,0,1|2,0,0]=4 6121 B13R1.528 CNC(=O)CSc1cccnc1C 62a_100000751574_100000183359 [0,1,0,0,0,1|2,0,0]=4 6122 B13R1.528 CNC(=O)CSc1cccnc1Cl 62a_100000036424_100000183359 [0,1,0,0,0,1|2,0,0]=4 6123 B13R1.528 CNC(=O)CSc1cccnc1Cl 62a_100000183359_100000036424 [0,1,0,0,0,1|2,0,0]=4 6124 B13R1.528 CNC(=O)CSc1cccnc1F 62a_100000183359_100009816115 [0,1,0,0,0,1|2,0,0]=4 6125 B13R1.528 CNC(=O)CSc1cccnc1F 62a_100009816115_100000183359 [0,1,0,0,0,1|2,0,0]=4 6126 B13R1.528 CNC(=O)CSc1cccnc1N 62a_100000045569_100000183359 [0,1,0,0,0,1|2,0,0]=4 6127 B13R1.528 CNC(=O)CSc1cccnc1N 62a_100000183359_100000045569 [0,1,0,0,0,1|2,0,0]=4 6128 B13R1.528 CNC(=O)CSc1cccnc1O 62a_100000183359_100000760158 [0,1,0,0,0,1|2,0,0]=4 6129 B13R1.528 CNC(=O)CSc1cccnc1O 62a_100000760158_100000183359 [0,1,0,0,0,1|2,0,0]=4 6130 B13R1.528 CNC(=O)CSc1ccncc1Br 62a_100000183359_100000726257 [0,1,0,0,0,1|2,0,0]=4 6131 B13R1.528 CNC(=O)CSc1ccncc1Br 62a_100000726257_100000183359 [0,1,0,0,0,1|2,0,0]=4 6132 B13R1.528 CNC(=O)CSc1ccncc1C 62a_100000183359_100000765111 [0,1,0,0,0,1|2,0,0]=4 6133 B13R1.528 CNC(=O)CSc1ccncc1C 62a_100000765111_100000183359 [0,1,0,0,0,1|2,0,0]=4 6134 B13R1.528 CNC(=O)CSc1ccncc1Cl 62a_100000183359_100000708259 [0,1,0,0,0,1|2,0,0]=4 6135 B13R1.528 CNC(=O)CSc1ccncc1Cl 62a_100000708259_100000183359 [0,1,0,0,0,1|2,0,0]=4 6136 B13R1.528 CNC(=O)CSc1ccncc1F 62a_100000047030_100000183359 [0,1,0,0,0,1|2,0,0]=4 6137 B13R1.528 CNC(=O)CSc1ccncc1F 62a_100000183359_100000047030 [0,1,0,0,0,1|2,0,0]=4 6138 B13R1.528 CNC(=O)CSc1ccncc1N 62a_100000183359_100000756074 [0,1,0,0,0,1|2,0,0]=4 6139 B13R1.528 CNC(=O)CSc1ccncc1N 62a_100000756074_100000183359 [0,1,0,0,0,1|2,0,0]=4 6140 B13R1.528 CNC(=O)CSc1ccncc1O 62a_100000183359_100009817591 [0,1,0,0,0,1|2,0,0]=4 6141 B13R1.528 CNC(=O)CSc1ccncc1O 62a_100009817591_100000183359 [0,1,0,0,0,1|2,0,0]=4 6142 B13R1.528 CNC(=O)CSc1cnccc1Br 62a_100000183359_100010138639 [0,1,0,0,0,1|2,0,0]=4 6143 B13R1.528 CNC(=O)CSc1cnccc1Br 62a_100010138639_100000183359 [0,1,0,0,0,1|2,0,0]=4 6144 B13R1.528 CNC(=O)CSc1cnccc1C 62a_100000183359_100000761580 [0,1,0,0,0,1|2,0,0]=4 6145 B13R1.528 CNC(=O)CSc1cnccc1C 62a_100000761580_100000183359 [0,1,0,0,0,1|2,0,0]=4 6146 B13R1.528 CNC(=O)CSc1cnccc1Cl 62a_100000183359_100009995489 [0,1,0,0,0,1|2,0,0]=4 6147 B13R1.528 CNC(=O)CSc1cnccc1Cl 62a_100009995489_100000183359 [0,1,0,0,0,1|2,0,0]=4 6148 B13R1.528 CNC(=O)CSc1cnccc1F 62a_100000183359_100009820683 [0,1,0,0,0,1|2,0,0]=4 6149 B13R1.528 CNC(=O)CSc1cnccc1F 62a_100009820683_100000183359 [0,1,0,0,0,1|2,0,0]=4 6150 B13R1.528 CNC(=O)CSc1cnccc1N 62a_100000047001_100000183359 [0,1,0,0,0,1|2,0,0]=4 6151 B13R1.528 CNC(=O)CSc1cnccc1N 62a_100000183359_100000047001 [0,1,0,0,0,1|2,0,0]=4 6152 B13R1.528 CNC(=O)CSc1ncccc1Br 62a_100000183359_100000696092 [0,1,0,0,0,1|2,0,0]=4 6153 B13R1.528 CNC(=O)CSc1ncccc1Br 62a_100000696092_100000183359 [0,1,0,0,0,1|2,0,0]=4 6154 B13R1.528 CNC(=O)CSc1ncccc1C 62a_100000183359_100000751373 [0,1,0,0,0,1|2,0,0]=4 6155 B13R1.528 CNC(=O)CSc1ncccc1C 62a_100000751373_100000183359 [0,1,0,0,0,1|2,0,0]=4 6156 B13R1.528 CNC(=O)CSc1ncccc1Cl 62a_100000183359_100011356963 [0,1,0,0,0,1|2,0,0]=4 6157 B13R1.528 CNC(=O)CSc1ncccc1Cl 62a_100011356963_100000183359 [0,1,0,0,0,1|2,0,0]=4 6158 B13R1.528 CNC(=O)CSc1ncccc1F 62a_100000183359_100000685392 [0,1,0,0,0,1|2,0,0]=4 6159 B13R1.528 CNC(=O)CSc1ncccc1F 62a_100000685392_100000183359 [0,1,0,0,0,1|2,0,0]=4 6160 B13R1.528 CNC(=O)CSc1ncccc1N 62a_100000183359_100000688686 [0,1,0,0,0,1|2,0,0]=4 6161 B13R1.528 CNC(=O)CSc1ncccc1N 62a_100000688686_100000183359 [0,1,0,0,0,1|2,0,0]=4 6162 B13R1.528 CNC(=O)CSc1ncccc1O 62a_100000034122_100000183359 [0,1,0,0,0,1|2,0,0]=4 6163 B13R1.528 CNC(=O)CSc1ncccc1O 62a_100000183359_100000034122 [0,1,0,0,0,1|2,0,0]=4 6164 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,1,0,0,0,1|1,0,0]=3 6165 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,1,0,0,0,1|1,0,0]=3 6166 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,1,0,0,0,1|1,0,0]=3 6167 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,1,0,0,0,1|1,0,0]=3 6168 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,1,0,0,0,1|1,0,0]=3 6169 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,1,0,0,0,1|1,0,0]=3 6170 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,1,0,0,0,1|1,0,0]=3 6171 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,1,0,0,0,1|1,0,0]=3 6172 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,1,0,0,0,1|1,0,0]=3 6173 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,1,0,0,0,1|1,0,0]=3 6174 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,1,0,0,0,1|1,0,0]=3 6175 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,1,0,0,0,1|1,0,0]=3 6176 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,1,0,0,0,1|1,0,0]=3 6177 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,1,0,0,0,1|1,0,0]=3 6178 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,1,0,0,0,1|1,0,0]=3 6179 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,1,0,0,0,1|1,0,0]=3 6180 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,1,0,0,0,1|1,0,0]=3 6181 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,1,0,0,0,1|1,0,0]=3 6182 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,1,0,0,0,1|1,0,0]=3 6183 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,1,0,0,0,1|1,0,0]=3 6184 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,1,0,0,0,1|1,0,0]=3 6185 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,1,0,0,0,1|1,0,0]=3 6186 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,1,0,0,0,1|1,0,0]=3 6187 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,1,0,0,0,1|1,0,0]=3 6188 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,1,0,0,0,1|1,0,0]=3 6189 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,1,0,0,0,1|1,0,0]=3 6190 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,1,0,0,0,1|1,0,0]=3 6191 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,1,0,0,0,1|1,0,0]=3 6192 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,1,0,0,0,1|1,0,0]=3 6193 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,1,0,0,0,1|1,0,0]=3 6194 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,1,0,0,0,1|1,0,0]=3 6195 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,1,0,0,0,1|1,0,0]=3 6196 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,1,0,0,0,1|1,0,0]=3 6197 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,1,0,0,0,1|1,0,0]=3 6198 B13R1.528 CNC(=O)NCc1cccnc1Br 2708a_100009818023_106832991635 [0,1,0,0,0,1|2,0,0]=4 6199 B13R1.528 CNC(=O)NCc1cccnc1Br 2708a_100102657272_100009818023 [0,1,0,0,0,1|2,0,0]=4 6200 B13R1.528 CNC(=O)NCc1cccnc1Br 273464a_100009818023_100102657272 [0,1,0,0,0,1|2,0,0]=4 6201 B13R1.528 CNC(=O)NCc1cccnc1Br 273464a_100102657272_100009818023 [0,1,0,0,0,1|2,0,0]=4 6202 B13R1.528 CNC(=O)NCc1cccnc1Br 512a_100009818023_100102657272 [0,1,0,0,0,1|2,0,0]=4 6203 B13R1.528 CNC(=O)NCc1cccnc1Br 512a_106832991638_100009818023 [0,1,0,0,0,1|2,0,0]=4 6204 B13R1.528 CNC(=O)NCc1cccnc1Cl 2708a_100015189234_106832991635 [0,1,0,0,0,1|2,0,0]=4 6205 B13R1.528 CNC(=O)NCc1cccnc1Cl 2708a_100102657272_100015189234 [0,1,0,0,0,1|2,0,0]=4 6206 B13R1.528 CNC(=O)NCc1cccnc1Cl 273464a_100015189234_100102657272 [0,1,0,0,0,1|2,0,0]=4 6207 B13R1.528 CNC(=O)NCc1cccnc1Cl 273464a_100102657272_100015189234 [0,1,0,0,0,1|2,0,0]=4 6208 B13R1.528 CNC(=O)NCc1cccnc1Cl 512a_100015189234_100102657272 [0,1,0,0,0,1|2,0,0]=4 6209 B13R1.528 CNC(=O)NCc1cccnc1Cl 512a_106832991638_100015189234 [0,1,0,0,0,1|2,0,0]=4 6210 B13R1.528 CNC(=O)NCc1cccnc1F 2708a_100000724633_106832991635 [0,1,0,0,0,1|2,0,0]=4 6211 B13R1.528 CNC(=O)NCc1cccnc1F 2708a_100102657272_100000724633 [0,1,0,0,0,1|2,0,0]=4 6212 B13R1.528 CNC(=O)NCc1cccnc1F 273464a_100000724633_100102657272 [0,1,0,0,0,1|2,0,0]=4 6213 B13R1.528 CNC(=O)NCc1cccnc1F 273464a_100102657272_100000724633 [0,1,0,0,0,1|2,0,0]=4 6214 B13R1.528 CNC(=O)NCc1cccnc1F 512a_100000724633_100102657272 [0,1,0,0,0,1|2,0,0]=4 6215 B13R1.528 CNC(=O)NCc1cccnc1F 512a_106832991638_100000724633 [0,1,0,0,0,1|2,0,0]=4 6216 B13R1.528 CNC(=O)NCc1ccncc1Br 2708a_100020640021_106832991635 [0,1,0,0,0,1|2,0,0]=4 6217 B13R1.528 CNC(=O)NCc1ccncc1Br 2708a_100102657272_100020640021 [0,1,0,0,0,1|2,0,0]=4 6218 B13R1.528 CNC(=O)NCc1ccncc1Br 273464a_100020640021_100102657272 [0,1,0,0,0,1|2,0,0]=4 6219 B13R1.528 CNC(=O)NCc1ccncc1Br 273464a_100102657272_100020640021 [0,1,0,0,0,1|2,0,0]=4 6220 B13R1.528 CNC(=O)NCc1ccncc1Br 512a_100020640021_100102657272 [0,1,0,0,0,1|2,0,0]=4 6221 B13R1.528 CNC(=O)NCc1ccncc1Br 512a_106832991638_100020640021 [0,1,0,0,0,1|2,0,0]=4 6222 B13R1.528 CNC(=O)NCc1ccncc1C 2708a_100000708811_106832991635 [0,1,0,0,0,1|2,0,0]=4 6223 B13R1.528 CNC(=O)NCc1ccncc1C 2708a_100102657272_100000708811 [0,1,0,0,0,1|2,0,0]=4 6224 B13R1.528 CNC(=O)NCc1ccncc1C 273464a_100000708811_100102657272 [0,1,0,0,0,1|2,0,0]=4 6225 B13R1.528 CNC(=O)NCc1ccncc1C 273464a_100102657272_100000708811 [0,1,0,0,0,1|2,0,0]=4 6226 B13R1.528 CNC(=O)NCc1ccncc1C 512a_100000708811_100102657272 [0,1,0,0,0,1|2,0,0]=4 6227 B13R1.528 CNC(=O)NCc1ccncc1C 512a_106832991638_100000708811 [0,1,0,0,0,1|2,0,0]=4 6228 B13R1.528 CNC(=O)NCc1ccncc1F 2708a_100011935246_106832991635 [0,1,0,0,0,1|2,0,0]=4 6229 B13R1.528 CNC(=O)NCc1ccncc1F 2708a_100102657272_100011935246 [0,1,0,0,0,1|2,0,0]=4 6230 B13R1.528 CNC(=O)NCc1ccncc1F 273464a_100011935246_100102657272 [0,1,0,0,0,1|2,0,0]=4 6231 B13R1.528 CNC(=O)NCc1ccncc1F 273464a_100102657272_100011935246 [0,1,0,0,0,1|2,0,0]=4 6232 B13R1.528 CNC(=O)NCc1ccncc1F 512a_100011935246_100102657272 [0,1,0,0,0,1|2,0,0]=4 6233 B13R1.528 CNC(=O)NCc1ccncc1F 512a_106832991638_100011935246 [0,1,0,0,0,1|2,0,0]=4 6234 B13R1.528 CNC(=O)NCc1cnccc1C 2708a_100011997553_106832991635 [0,1,0,0,0,1|2,0,0]=4 6235 B13R1.528 CNC(=O)NCc1cnccc1C 2708a_100102657272_100011997553 [0,1,0,0,0,1|2,0,0]=4 6236 B13R1.528 CNC(=O)NCc1cnccc1C 273464a_100011997553_100102657272 [0,1,0,0,0,1|2,0,0]=4 6237 B13R1.528 CNC(=O)NCc1cnccc1C 273464a_100102657272_100011997553 [0,1,0,0,0,1|2,0,0]=4 6238 B13R1.528 CNC(=O)NCc1cnccc1C 512a_100011997553_100102657272 [0,1,0,0,0,1|2,0,0]=4 6239 B13R1.528 CNC(=O)NCc1cnccc1C 512a_106832991638_100011997553 [0,1,0,0,0,1|2,0,0]=4 6240 B13R1.528 CNC(=O)NCc1ncccc1Br 2708a_100020591323_106832991635 [0,1,0,0,0,1|2,0,0]=4 6241 B13R1.528 CNC(=O)NCc1ncccc1Br 2708a_100102657272_100020591323 [0,1,0,0,0,1|2,0,0]=4 6242 B13R1.528 CNC(=O)NCc1ncccc1Br 273464a_100020591323_100102657272 [0,1,0,0,0,1|2,0,0]=4 6243 B13R1.528 CNC(=O)NCc1ncccc1Br 273464a_100102657272_100020591323 [0,1,0,0,0,1|2,0,0]=4 6244 B13R1.528 CNC(=O)NCc1ncccc1Br 512a_100020591323_100102657272 [0,1,0,0,0,1|2,0,0]=4 6245 B13R1.528 CNC(=O)NCc1ncccc1Br 512a_106832991638_100020591323 [0,1,0,0,0,1|2,0,0]=4 6246 B13R1.528 CNC(=O)NCc1ncccc1C 2708a_100011223789_106832991635 [0,1,0,0,0,1|2,0,0]=4 6247 B13R1.528 CNC(=O)NCc1ncccc1C 2708a_100102657272_100011223789 [0,1,0,0,0,1|2,0,0]=4 6248 B13R1.528 CNC(=O)NCc1ncccc1C 273464a_100011223789_100102657272 [0,1,0,0,0,1|2,0,0]=4 6249 B13R1.528 CNC(=O)NCc1ncccc1C 273464a_100102657272_100011223789 [0,1,0,0,0,1|2,0,0]=4 6250 B13R1.528 CNC(=O)NCc1ncccc1C 512a_100011223789_100102657272 [0,1,0,0,0,1|2,0,0]=4 6251 B13R1.528 CNC(=O)NCc1ncccc1C 512a_106832991638_100011223789 [0,1,0,0,0,1|2,0,0]=4 6252 B13R1.528 CNC(=O)NCc1ncccc1Cl 2708a_100015189233_106832991635 [0,1,0,0,0,1|2,0,0]=4 6253 B13R1.528 CNC(=O)NCc1ncccc1Cl 2708a_100102657272_100015189233 [0,1,0,0,0,1|2,0,0]=4 6254 B13R1.528 CNC(=O)NCc1ncccc1Cl 273464a_100015189233_100102657272 [0,1,0,0,0,1|2,0,0]=4 6255 B13R1.528 CNC(=O)NCc1ncccc1Cl 273464a_100102657272_100015189233 [0,1,0,0,0,1|2,0,0]=4 6256 B13R1.528 CNC(=O)NCc1ncccc1Cl 512a_100015189233_100102657272 [0,1,0,0,0,1|2,0,0]=4 6257 B13R1.528 CNC(=O)NCc1ncccc1Cl 512a_106832991638_100015189233 [0,1,0,0,0,1|2,0,0]=4 6258 B13R1.528 CNC(=O)NCc1ncccc1F 2708a_100000690088_106832991635 [0,1,0,0,0,1|2,0,0]=4 6259 B13R1.528 CNC(=O)NCc1ncccc1F 2708a_100102657272_100000690088 [0,1,0,0,0,1|2,0,0]=4 6260 B13R1.528 CNC(=O)NCc1ncccc1F 273464a_100000690088_100102657272 [0,1,0,0,0,1|2,0,0]=4 6261 B13R1.528 CNC(=O)NCc1ncccc1F 273464a_100102657272_100000690088 [0,1,0,0,0,1|2,0,0]=4 6262 B13R1.528 CNC(=O)NCc1ncccc1F 512a_100000690088_100102657272 [0,1,0,0,0,1|2,0,0]=4 6263 B13R1.528 CNC(=O)NCc1ncccc1F 512a_106832991638_100000690088 [0,1,0,0,0,1|2,0,0]=4 6264 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,1,0,0,0,1|2,0,0]=4 6265 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,1,0,0,0,1|2,0,0]=4 6266 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,1,0,0,0,1|2,0,0]=4 6267 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,1,0,0,0,1|2,0,0]=4 6268 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,1,0,0,0,1|2,0,0]=4 6269 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,1,0,0,0,1|2,0,0]=4 6270 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,1,0,0,0,1|2,0,0]=4 6271 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,1,0,0,0,1|2,0,0]=4 6272 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,1,0,0,0,1|2,0,0]=4 6273 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,1,0,0,0,1|2,0,0]=4 6274 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,0,0,0,1|0,0,1]=3 6275 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,1,0,0,0,1|0,0,0]=2 6276 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,1,0,0,0,1|0,0,0]=2 6277 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,1,0,0,0,1|0,0,0]=2 6278 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,1,0,0,0,1|0,0,0]=2 6279 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,1,0,0,0,1|0,0,0]=2 6280 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,1,0,0,0,1|0,0,0]=2 6281 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,1,0,0,0,1|0,0,0]=2 6282 B13R1.528 COC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000747449 [0,1,0,0,0,1|1,0,0]=3 6283 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,1,0,0,0,1|0,0,0]=2 6284 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,1,0,0,0,1|0,0,0]=2 6285 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,1,0,0,0,1|0,0,0]=2 6286 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,1,0,0,0,1|0,0,0]=2 6287 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,1,0,0,0,1|0,0,0]=2 6288 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,1,0,0,0,1|0,0,0]=2 6289 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,1,0,0,0,1|0,0,0]=2 6290 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,1,0,0,0,1|0,0,0]=2 6291 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,1,0,0,0,1|0,0,0]=2 6292 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,1,0,0,0,1|0,0,0]=2 6293 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,1,0,0,0,1|0,0,0]=2 6294 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,1,0,0,0,1|0,0,0]=2 6295 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,1,0,0,0,1|0,0,0]=2 6296 B13R1.528 COC(=O)COc1cccnc1Br 34a_100000744436_100000747449 [0,1,0,0,0,1|1,0,0]=3 6297 B13R1.528 COC(=O)COc1cccnc1Br 7a_100000744436_100000747449 [0,1,0,0,0,1|1,0,0]=3 6298 B13R1.528 COC(=O)COc1cccnc1C 34a_100000745507_100000747449 [0,1,0,0,0,1|1,0,0]=3 6299 B13R1.528 COC(=O)COc1cccnc1C 7a_100000745507_100000747449 [0,1,0,0,0,1|1,0,0]=3 6300 B13R1.528 COC(=O)COc1cccnc1Cl 34a_100000757616_100000747449 [0,1,0,0,0,1|1,0,0]=3 6301 B13R1.528 COC(=O)COc1cccnc1Cl 7a_100000757616_100000747449 [0,1,0,0,0,1|1,0,0]=3 6302 B13R1.528 COC(=O)COc1cccnc1F 34a_100000061740_100000747449 [0,1,0,0,0,1|1,0,0]=3 6303 B13R1.528 COC(=O)COc1cccnc1F 7a_100000061740_100000747449 [0,1,0,0,0,1|1,0,0]=3 6304 B13R1.528 COC(=O)COc1cccnc1I 34a_100000034122_100000747449 [0,1,0,0,0,1|1,0,0]=3 6305 B13R1.528 COC(=O)COc1cccnc1I 7a_100000034122_100000747449 [0,1,0,0,0,1|1,0,0]=3 6306 B13R1.528 COC(=O)COc1cccnc1N 34a_100000211975_100000747449 [0,1,0,0,0,1|1,0,0]=3 6307 B13R1.528 COC(=O)COc1cccnc1N 7a_100000211975_100000747449 [0,1,0,0,0,1|1,0,0]=3 6308 B13R1.528 COC(=O)COc1cccoc1=O 34a_100000077404_100000747449 [0,1,0,0,0,1|1,0,0]=3 6309 B13R1.528 COC(=O)COc1cccoc1=O 7a_100000077404_100000747449 [0,1,0,0,0,1|1,0,0]=3 6310 B13R1.528 COC(=O)COc1ccncc1Br 34a_100011996408_100000747449 [0,1,0,0,0,1|1,0,0]=3 6311 B13R1.528 COC(=O)COc1ccncc1C 34a_100000694293_100000747449 [0,1,0,0,0,1|1,0,0]=3 6312 B13R1.528 COC(=O)COc1ccncc1Cl 34a_100011997054_100000747449 [0,1,0,0,0,1|1,0,0]=3 6313 B13R1.528 COC(=O)COc1ccncc1F 34a_200000081243_100000747449 [0,1,0,0,0,1|1,0,0]=3 6314 B13R1.528 COC(=O)COc1cnccc1C 34a_100011997053_100000747449 [0,1,0,0,0,1|1,0,0]=3 6315 B13R1.528 COC(=O)COc1cnccc1C 7a_100011997053_100000747449 [0,1,0,0,0,1|1,0,0]=3 6316 B13R1.528 COC(=O)COc1cnccc1Cl 34a_100011996695_100000747449 [0,1,0,0,0,1|1,0,0]=3 6317 B13R1.528 COC(=O)COc1cnccc1I 34a_100000050107_100000747449 [0,1,0,0,0,1|1,0,0]=3 6318 B13R1.528 COC(=O)COc1cnccc1N 34a_100000753702_100000747449 [0,1,0,0,0,1|1,0,0]=3 6319 B13R1.528 COC(=O)COc1cncnc1N 7a_100000112926_100000747449 [0,1,0,0,0,1|2,0,0]=4 6320 B13R1.528 COC(=O)COc1coccc1=O 34a_100000060831_100000747449 [0,1,0,0,0,1|1,0,0]=3 6321 B13R1.528 COC(=O)COc1ncccc1Cl 34a_100011290957_100000747449 [0,1,0,0,0,1|1,0,0]=3 6322 B13R1.528 COC(=O)COc1ncccc1F 34a_100011219419_100000747449 [0,1,0,0,0,1|1,0,0]=3 6323 B13R1.528 COC(=O)COc1ncccc1N 34a_100000746358_100000747449 [0,1,0,0,0,1|1,0,0]=3 6324 B13R1.528 COC(=O)COc1nccnc1C 34a_100000766352_100000747449 [0,1,0,0,0,1|2,0,0]=4 6325 B13R1.528 COC(=O)CSc1c[nH]ccc1=O 62a_100000747449_100009998708 [0,1,0,0,0,1|1,0,0]=3 6326 B13R1.528 COC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000747449 [0,1,0,0,0,1|1,0,0]=3 6327 B13R1.528 COC(=O)CSc1c[nH]ccc1=S 62a_100000747449_200012280681 [0,1,0,0,0,1|1,0,0]=3 6328 B13R1.528 COC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000747449 [0,1,0,0,0,1|1,0,0]=3 6329 B13R1.528 COC(=O)CSc1cccc[n+]1C 62a_100000747449_100000212160 [0,1,0,0,0,1|1,0,0]=3 6330 B13R1.528 COC(=O)CSc1cccc[n+]1[O-] 62a_100000747449_200000042595 [0,1,0,0,0,1|1,0,0]=3 6331 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,1,0,0,0,1|0,0,0]=2 6332 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,1,0,0,0,1|0,0,0]=2 6333 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,1,0,0,0,1|0,0,0]=2 6334 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,1,0,0,0,1|0,0,0]=2 6335 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,1,0,0,0,1|0,0,0]=2 6336 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,1,0,0,0,1|0,0,0]=2 6337 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,1,0,0,0,1|0,0,0]=2 6338 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,1,0,0,0,1|0,0,0]=2 6339 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,1,0,0,0,1|0,0,0]=2 6340 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,1,0,0,0,1|0,0,0]=2 6341 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,1,0,0,0,1|0,0,0]=2 6342 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,1,0,0,0,1|0,0,0]=2 6343 B13R1.528 COC(=O)CSc1cccnc1Br 62a_100000747449_100010202626 [0,1,0,0,0,1|1,0,0]=3 6344 B13R1.528 COC(=O)CSc1cccnc1Br 62a_100010202626_100000747449 [0,1,0,0,0,1|1,0,0]=3 6345 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000747449_100000751574 [0,1,0,0,0,1|1,0,0]=3 6346 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000751574_100000747449 [0,1,0,0,0,1|1,0,0]=3 6347 B13R1.528 COC(=O)CSc1cccnc1Cl 62a_100000036424_100000747449 [0,1,0,0,0,1|1,0,0]=3 6348 B13R1.528 COC(=O)CSc1cccnc1Cl 62a_100000747449_100000036424 [0,1,0,0,0,1|1,0,0]=3 6349 B13R1.528 COC(=O)CSc1cccnc1F 62a_100000747449_100009816115 [0,1,0,0,0,1|1,0,0]=3 6350 B13R1.528 COC(=O)CSc1cccnc1F 62a_100009816115_100000747449 [0,1,0,0,0,1|1,0,0]=3 6351 B13R1.528 COC(=O)CSc1cccnc1N 62a_100000045569_100000747449 [0,1,0,0,0,1|1,0,0]=3 6352 B13R1.528 COC(=O)CSc1cccnc1N 62a_100000747449_100000045569 [0,1,0,0,0,1|1,0,0]=3 6353 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000747449_100000760158 [0,1,0,0,0,1|1,0,0]=3 6354 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000760158_100000747449 [0,1,0,0,0,1|1,0,0]=3 6355 B13R1.528 COC(=O)CSc1ccn[nH]c1=O 62a_100000747449_100000087129 [0,1,0,0,0,1|2,0,0]=4 6356 B13R1.528 COC(=O)CSc1ccncc1Br 62a_100000726257_100000747449 [0,1,0,0,0,1|1,0,0]=3 6357 B13R1.528 COC(=O)CSc1ccncc1Br 62a_100000747449_100000726257 [0,1,0,0,0,1|1,0,0]=3 6358 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000747449_100000765111 [0,1,0,0,0,1|1,0,0]=3 6359 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000765111_100000747449 [0,1,0,0,0,1|1,0,0]=3 6360 B13R1.528 COC(=O)CSc1ccncc1Cl 62a_100000708259_100000747449 [0,1,0,0,0,1|1,0,0]=3 6361 B13R1.528 COC(=O)CSc1ccncc1Cl 62a_100000747449_100000708259 [0,1,0,0,0,1|1,0,0]=3 6362 B13R1.528 COC(=O)CSc1ccncc1F 62a_100000047030_100000747449 [0,1,0,0,0,1|1,0,0]=3 6363 B13R1.528 COC(=O)CSc1ccncc1F 62a_100000747449_100000047030 [0,1,0,0,0,1|1,0,0]=3 6364 B13R1.528 COC(=O)CSc1ccncc1N 62a_100000747449_100000756074 [0,1,0,0,0,1|1,0,0]=3 6365 B13R1.528 COC(=O)CSc1ccncc1N 62a_100000756074_100000747449 [0,1,0,0,0,1|1,0,0]=3 6366 B13R1.528 COC(=O)CSc1ccncc1O 62a_100000747449_100009817591 [0,1,0,0,0,1|1,0,0]=3 6367 B13R1.528 COC(=O)CSc1ccncc1O 62a_100009817591_100000747449 [0,1,0,0,0,1|1,0,0]=3 6368 B13R1.528 COC(=O)CSc1cnccc1Br 62a_100000747449_100010138639 [0,1,0,0,0,1|1,0,0]=3 6369 B13R1.528 COC(=O)CSc1cnccc1Br 62a_100010138639_100000747449 [0,1,0,0,0,1|1,0,0]=3 6370 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000747449_100000761580 [0,1,0,0,0,1|1,0,0]=3 6371 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000761580_100000747449 [0,1,0,0,0,1|1,0,0]=3 6372 B13R1.528 COC(=O)CSc1cnccc1Cl 62a_100000747449_100009995489 [0,1,0,0,0,1|1,0,0]=3 6373 B13R1.528 COC(=O)CSc1cnccc1Cl 62a_100009995489_100000747449 [0,1,0,0,0,1|1,0,0]=3 6374 B13R1.528 COC(=O)CSc1cnccc1F 62a_100000747449_100009820683 [0,1,0,0,0,1|1,0,0]=3 6375 B13R1.528 COC(=O)CSc1cnccc1F 62a_100009820683_100000747449 [0,1,0,0,0,1|1,0,0]=3 6376 B13R1.528 COC(=O)CSc1cnccc1N 62a_100000047001_100000747449 [0,1,0,0,0,1|1,0,0]=3 6377 B13R1.528 COC(=O)CSc1cnccc1N 62a_100000747449_100000047001 [0,1,0,0,0,1|1,0,0]=3 6378 B13R1.528 COC(=O)CSc1cncnc1Br 62a_100000747449_200012461658 [0,1,0,0,0,1|2,0,0]=4 6379 B13R1.528 COC(=O)CSc1cncnc1Br 62a_200012461658_100000747449 [0,1,0,0,0,1|2,0,0]=4 6380 B13R1.528 COC(=O)CSc1cncnc1C 62a_100000747449_100009819671 [0,1,0,0,0,1|2,0,0]=4 6381 B13R1.528 COC(=O)CSc1cncnc1C 62a_100009819671_100000747449 [0,1,0,0,0,1|2,0,0]=4 6382 B13R1.528 COC(=O)CSc1cncnc1Cl 62a_100000747449_100000758962 [0,1,0,0,0,1|2,0,0]=4 6383 B13R1.528 COC(=O)CSc1cncnc1Cl 62a_100000758962_100000747449 [0,1,0,0,0,1|2,0,0]=4 6384 B13R1.528 COC(=O)CSc1cncnc1N 62a_100000747449_100011996079 [0,1,0,0,0,1|2,0,0]=4 6385 B13R1.528 COC(=O)CSc1cncnc1N 62a_100011996079_100000747449 [0,1,0,0,0,1|2,0,0]=4 6386 B13R1.528 COC(=O)CSc1cncnc1O 62a_100000747449_100000751107 [0,1,0,0,0,1|2,0,0]=4 6387 B13R1.528 COC(=O)CSc1cncnc1O 62a_100000751107_100000747449 [0,1,0,0,0,1|2,0,0]=4 6388 B13R1.528 COC(=O)CSc1cnncc1N 62a_100000747449_100009829405 [0,1,0,0,0,1|2,0,0]=4 6389 B13R1.528 COC(=O)CSc1cnncc1N 62a_100009829405_100000747449 [0,1,0,0,0,1|2,0,0]=4 6390 B13R1.528 COC(=O)CSc1ncc[nH]c1=O 62a_100000747449_100000763361 [0,1,0,0,0,1|2,0,0]=4 6391 B13R1.528 COC(=O)CSc1ncccc1Br 62a_100000696092_100000747449 [0,1,0,0,0,1|1,0,0]=3 6392 B13R1.528 COC(=O)CSc1ncccc1Br 62a_100000747449_100000696092 [0,1,0,0,0,1|1,0,0]=3 6393 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000747449_100000751373 [0,1,0,0,0,1|1,0,0]=3 6394 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000751373_100000747449 [0,1,0,0,0,1|1,0,0]=3 6395 B13R1.528 COC(=O)CSc1ncccc1Cl 62a_100000747449_100011356963 [0,1,0,0,0,1|1,0,0]=3 6396 B13R1.528 COC(=O)CSc1ncccc1Cl 62a_100011356963_100000747449 [0,1,0,0,0,1|1,0,0]=3 6397 B13R1.528 COC(=O)CSc1ncccc1F 62a_100000685392_100000747449 [0,1,0,0,0,1|1,0,0]=3 6398 B13R1.528 COC(=O)CSc1ncccc1F 62a_100000747449_100000685392 [0,1,0,0,0,1|1,0,0]=3 6399 B13R1.528 COC(=O)CSc1ncccc1N 62a_100000688686_100000747449 [0,1,0,0,0,1|1,0,0]=3 6400 B13R1.528 COC(=O)CSc1ncccc1N 62a_100000747449_100000688686 [0,1,0,0,0,1|1,0,0]=3 6401 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000034122_100000747449 [0,1,0,0,0,1|1,0,0]=3 6402 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000747449_100000034122 [0,1,0,0,0,1|1,0,0]=3 6403 B13R1.528 COC(=O)CSc1nccnc1C 62a_100000747449_100011999405 [0,1,0,0,0,1|2,0,0]=4 6404 B13R1.528 COC(=O)CSc1nccnc1C 62a_100011999405_100000747449 [0,1,0,0,0,1|2,0,0]=4 6405 B13R1.528 COC(=O)CSc1nccnc1Cl 62a_100000747449_100010886584 [0,1,0,0,0,1|2,0,0]=4 6406 B13R1.528 COC(=O)CSc1nccnc1Cl 62a_100010886584_100000747449 [0,1,0,0,0,1|2,0,0]=4 6407 B13R1.528 COC(=O)CSc1nccnc1F 62a_100000747449_200010125657 [0,1,0,0,0,1|2,0,0]=4 6408 B13R1.528 COC(=O)CSc1nccnc1F 62a_200010125657_100000747449 [0,1,0,0,0,1|2,0,0]=4 6409 B13R1.528 COC(=O)CSc1nccnc1N 62a_100000747449_100000747729 [0,1,0,0,0,1|2,0,0]=4 6410 B13R1.528 COC(=O)CSc1nccnc1N 62a_100000747729_100000747449 [0,1,0,0,0,1|2,0,0]=4 6411 B13R1.528 COC(=O)CSc1ncncc1C 62a_100000747449_100011998708 [0,1,0,0,0,1|2,0,0]=4 6412 B13R1.528 COC(=O)CSc1ncncc1C 62a_100011998708_100000747449 [0,1,0,0,0,1|2,0,0]=4 6413 B13R1.528 COC(=O)CSc1ncncc1F 62a_100000069762_100000747449 [0,1,0,0,0,1|2,0,0]=4 6414 B13R1.528 COC(=O)CSc1ncncc1F 62a_100000747449_100000069762 [0,1,0,0,0,1|2,0,0]=4 6415 B13R1.528 COC(=O)CSc1ncncc1N 62a_100000709731_100000747449 [0,1,0,0,0,1|2,0,0]=4 6416 B13R1.528 COC(=O)CSc1ncncc1N 62a_100000747449_100000709731 [0,1,0,0,0,1|2,0,0]=4 6417 B13R1.528 COC(=O)CSc1nnccc1C 62a_100000747449_100000089043 [0,1,0,0,0,1|2,0,0]=4 6418 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,1,0,0,0,1|1,0,1]=4 6419 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,1,0,0,0,1|1,0,1]=4 6420 B13R1.528 COC(C)SCc1ccccc1Br 62a_100000184730_100009879195 [0,1,0,0,0,1|1,0,1]=4 6421 B13R1.528 COC(C)SCc1ccccc1Br 62a_100009879195_100000184730 [0,1,0,0,0,1|1,0,1]=4 6422 B13R1.528 COC(C)SCc1ccccc1C 62a_100000211839_100009879195 [0,1,0,0,0,1|1,0,1]=4 6423 B13R1.528 COC(C)SCc1ccccc1C 62a_100009879195_100000211839 [0,1,0,0,0,1|1,0,1]=4 6424 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100000187162_100009879195 [0,1,0,0,0,1|1,0,1]=4 6425 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100009879195_100000187162 [0,1,0,0,0,1|1,0,1]=4 6426 B13R1.528 COC(C)SCc1ccccc1F 62a_100000211605_100009879195 [0,1,0,0,0,1|1,0,1]=4 6427 B13R1.528 COC(C)SCc1ccccc1F 62a_100009879195_100000211605 [0,1,0,0,0,1|1,0,1]=4 6428 B13R1.528 COC(C)SCc1ccccc1I 62a_100009879195_100011216222 [0,1,0,0,0,1|1,0,1]=4 6429 B13R1.528 COC(C)SCc1ccccc1I 62a_100011216222_100009879195 [0,1,0,0,0,1|1,0,1]=4 6430 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [0,1,0,0,0,1|2,0,0]=4 6431 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,1,0,0,0,1|2,0,0]=4 6432 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,1,0,0,0,1|2,0,0]=4 6433 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,1,0,0,0,1|2,0,0]=4 6434 B13R1.528 Cc1ccccc1OCC(=O)CF 1458a_100000182418_100015361967 [0,1,0,0,0,1|2,0,0]=4 6435 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,1,0,0,0,1|1,0,1]=4 6436 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,1,0,0,0,1|1,0,1]=4 6437 B13R1.528 Cc1ccccc1SCC(=O)CF 1458a_100000183026_100015361967 [0,1,0,0,0,1|2,0,0]=4 6438 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [0,1,0,0,0,1|2,0,0]=4 6439 B13R1.528 O=C(CF)CCc1ccccc1Br 1458a_100000740810_100015361967 [0,1,0,0,0,1|2,0,0]=4 6440 B13R1.528 O=C(CF)CCc1ccccc1Cl 1458a_100000184300_100015361967 [0,1,0,0,0,1|2,0,0]=4 6441 B13R1.528 O=C(CF)CCc1ccccc1F 1458a_100000189703_100015361967 [0,1,0,0,0,1|2,0,0]=4 6442 B13R1.528 O=C(CF)CCc1ccccc1I 1458a_100000037306_100015361967 [0,1,0,0,0,1|2,0,0]=4 6443 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,1,0,0,0,1|2,0,0]=4 6444 B13R1.528 O=C(CF)COc1ccccc1Br 1458a_100000216496_100015361967 [0,1,0,0,0,1|2,0,0]=4 6445 B13R1.528 O=C(CF)COc1ccccc1Cl 1458a_100000185159_100015361967 [0,1,0,0,0,1|2,0,0]=4 6446 B13R1.528 O=C(CF)COc1ccccc1F 1458a_100000182486_100015361967 [0,1,0,0,0,1|2,0,0]=4 6447 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [0,1,0,0,0,1|2,0,0]=4 6448 B13R1.528 O=C(CF)CSc1ccccc1F 1458a_100000179528_100015361967 [0,1,0,0,0,1|2,0,0]=4 6449 B13R1.528 O=C(CF)CSc1ccccc1O 1458a_100000695322_100015361967 [0,1,0,0,0,1|2,0,0]=4 6450 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,1,0,0,0,1|2,0,0]=4 6451 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,1,0,0,0,1|2,0,0]=4 6452 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,1,0,0,0,1|2,0,0]=4 6453 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,1,0,0,0,1|2,0,0]=4 6454 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,1,0,0,0,1|2,0,0]=4 6455 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,1,0,0,0,1|2,0,0]=4 6456 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,1,0,0,0,1|2,0,0]=4 6457 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,1,0,0,0,1|2,0,0]=4 6458 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,1,0,0,0,1|2,0,0]=4 6459 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,1,0,0,0,1|2,0,0]=4 6460 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,1,0,0,0,1|2,0,0]=4 6461 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,1,0,0,0,1|2,0,0]=4 6462 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,1,0,0,0,1|2,0,0]=4 6463 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,1,0,0,0,1|2,0,0]=4 6464 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000184674 [0,2,0,0,0,0|1,0,1]=4 6465 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Br 1458a_100011220946_100000189115 [0,2,0,0,0,0|1,0,1]=4 6466 B13R1.19 C#CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000184674 [0,2,0,0,0,0|1,0,1]=4 6467 B13R1.19 C#CCC(=O)Cc1ccc(cc1)C 1458a_100011220946_100000210814 [0,2,0,0,0,0|1,0,1]=4 6468 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000184674 [0,2,0,0,0,0|1,0,1]=4 6469 B13R1.19 C#CCC(=O)Cc1ccc(cc1)Cl 1458a_100011220946_100000694040 [0,2,0,0,0,0|1,0,1]=4 6470 B13R1.19 C#CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000184674 [0,2,0,0,0,0|1,0,1]=4 6471 B13R1.19 C#CCC(=O)Cc1ccc(cc1)F 1458a_100011220946_100000198546 [0,2,0,0,0,0|1,0,1]=4 6472 B13R1.19 C#CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000184674 [0,2,0,0,0,0|1,0,1]=4 6473 B13R1.19 C#CCC(=O)Cc1ccc(cc1)I 1458a_100011220946_100000189116 [0,2,0,0,0,0|1,0,1]=4 6474 B13R1.19 C#CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000184674 [0,2,0,0,0,0|1,0,1]=4 6475 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210623 [0,2,0,0,0,0|1,0,1]=4 6476 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000210193_100000189115 [0,2,0,0,0,0|1,0,1]=4 6477 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000210193_100000210814 [0,2,0,0,0,0|1,0,1]=4 6478 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210623 [0,2,0,0,0,0|1,0,1]=4 6479 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210193_100000694040 [0,2,0,0,0,0|1,0,1]=4 6480 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210623 [0,2,0,0,0,0|1,0,1]=4 6481 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210193_100000198546 [0,2,0,0,0,0|1,0,1]=4 6482 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210623 [0,2,0,0,0,0|1,0,1]=4 6483 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000210193_100000189116 [0,2,0,0,0,0|1,0,1]=4 6484 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210623 [0,2,0,0,0,0|1,0,1]=4 6485 B13R1.19 C=CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210623 [0,2,0,0,0,0|1,0,1]=4 6486 B13R1.19 CC#CC(=O)Cc1ccc(cc1)Br 1458a_100000763181_100000189115 [0,2,0,0,0,0|1,0,0]=3 6487 B13R1.19 CC#CC(=O)Cc1ccc(cc1)C 1458a_100000763181_100000210814 [0,2,0,0,0,0|1,0,0]=3 6488 B13R1.19 CC#CC(=O)Cc1ccc(cc1)Cl 1458a_100000763181_100000694040 [0,2,0,0,0,0|1,0,0]=3 6489 B13R1.19 CC#CC(=O)Cc1ccc(cc1)F 1458a_100000763181_100000198546 [0,2,0,0,0,0|1,0,0]=3 6490 B13R1.19 CC#CC(=O)Cc1ccc(cc1)I 1458a_100000763181_100000189116 [0,2,0,0,0,0|1,0,0]=3 6491 B13R1.19 CC#CC(=O)Cc1ccc(cn1)Br 1458a_100000763181_100000702658 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.19 CC#CC(=O)Cc1ccc(cn1)C 1458a_100000763181_100000691093 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.19 CC#CC(=O)Cc1ccc(cn1)Cl 1458a_100000763181_100012066911 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.19 CC#CC(=O)Cc1ccc(cn1)F 1458a_100000763181_100000703193 [0,2,0,0,0,0|2,0,0]=4 6495 B13R1.19 CC#CC(=O)Cc1ccc(nc1)Br 1458a_100000763181_100009831999 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.19 CC#CC(=O)Cc1ccc(nc1)C 1458a_100000763181_100016987292 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.19 CC#CC(=O)Cc1ccc(nc1)Cl 1458a_100000763181_100000735431 [0,2,0,0,0,0|2,0,0]=4 6498 B13R1.19 CC#CC(=O)Cc1ccc(nc1)F 1458a_100000763181_100009820150 [0,2,0,0,0,0|2,0,0]=4 6499 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000763181 [0,2,0,0,0,0|2,0,0]=4 6500 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000763181 [0,2,0,0,0,0|2,0,0]=4 6501 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000763181 [0,2,0,0,0,0|2,0,0]=4 6502 B13R1.19 CC#CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000763181 [0,2,0,0,0,0|2,0,0]=4 6503 B13R1.19 CC#CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000763181 [0,2,0,0,0,0|2,0,0]=4 6504 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000763181 [0,2,0,0,0,0|2,0,0]=4 6505 B13R1.19 CC(Cc1ccc(cc1)F)OCF 34a_100011351027_100015361967 [0,2,0,0,0,0|1,0,1]=4 6506 B13R1.19 CC(Cc1ccc(cc1)F)OCF 7a_100011351027_100015361967 [0,2,0,0,0,0|1,0,1]=4 6507 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Br 1458a_100000210699_100000189115 [0,2,0,0,0,0|1,0,0]=3 6508 B13R1.19 CC=CC(=O)Cc1ccc(cc1)C 1458a_100000210699_100000210814 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000210699_100000694040 [0,2,0,0,0,0|1,0,0]=3 6510 B13R1.19 CC=CC(=O)Cc1ccc(cc1)F 1458a_100000210699_100000198546 [0,2,0,0,0,0|1,0,0]=3 6511 B13R1.19 CC=CC(=O)Cc1ccc(cc1)I 1458a_100000210699_100000189116 [0,2,0,0,0,0|1,0,0]=3 6512 B13R1.19 CC=CC(=O)Cc1ccc(cn1)Br 1458a_100000210699_100000702658 [0,2,0,0,0,0|2,0,0]=4 6513 B13R1.19 CC=CC(=O)Cc1ccc(cn1)C 1458a_100000210699_100000691093 [0,2,0,0,0,0|2,0,0]=4 6514 B13R1.19 CC=CC(=O)Cc1ccc(cn1)Cl 1458a_100000210699_100012066911 [0,2,0,0,0,0|2,0,0]=4 6515 B13R1.19 CC=CC(=O)Cc1ccc(cn1)F 1458a_100000210699_100000703193 [0,2,0,0,0,0|2,0,0]=4 6516 B13R1.19 CC=CC(=O)Cc1ccc(nc1)Br 1458a_100000210699_100009831999 [0,2,0,0,0,0|2,0,0]=4 6517 B13R1.19 CC=CC(=O)Cc1ccc(nc1)C 1458a_100000210699_100016987292 [0,2,0,0,0,0|2,0,0]=4 6518 B13R1.19 CC=CC(=O)Cc1ccc(nc1)Cl 1458a_100000210699_100000735431 [0,2,0,0,0,0|2,0,0]=4 6519 B13R1.19 CC=CC(=O)Cc1ccc(nc1)F 1458a_100000210699_100009820150 [0,2,0,0,0,0|2,0,0]=4 6520 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210699 [0,2,0,0,0,0|2,0,0]=4 6521 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210699 [0,2,0,0,0,0|2,0,0]=4 6522 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210699 [0,2,0,0,0,0|2,0,0]=4 6523 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210699 [0,2,0,0,0,0|2,0,0]=4 6524 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210699 [0,2,0,0,0,0|2,0,0]=4 6525 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210699 [0,2,0,0,0,0|2,0,0]=4 6526 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210699 [0,2,0,0,0,0|2,0,0]=4 6527 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210699 [0,2,0,0,0,0|2,0,0]=4 6528 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210699 [0,2,0,0,0,0|2,0,0]=4 6529 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210699 [0,2,0,0,0,0|2,0,0]=4 6530 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210699 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210699 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210699 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210699 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210699 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210303 [0,2,0,0,0,0|1,0,0]=3 6537 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000211992_100000189115 [0,2,0,0,0,0|1,0,0]=3 6538 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000211992_100000210814 [0,2,0,0,0,0|1,0,0]=3 6539 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210303 [0,2,0,0,0,0|1,0,0]=3 6540 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,2,0,0,0,0|1,0,0]=3 6541 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,2,0,0,0,0|1,0,0]=3 6542 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210303 [0,2,0,0,0,0|1,0,0]=3 6543 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000211992_100000198546 [0,2,0,0,0,0|1,0,0]=3 6544 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000211992_100000189116 [0,2,0,0,0,0|1,0,0]=3 6545 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210303 [0,2,0,0,0,0|1,0,0]=3 6546 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,2,0,0,0,0|1,0,0]=3 6547 B13R1.19 CCCC(=O)Cc1ccc(cn1)Br 1458a_100000211992_100000702658 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.19 CCCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210303 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.19 CCCC(=O)Cc1ccc(cn1)C 1458a_100000211992_100000691093 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.19 CCCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210303 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.19 CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000211992_100012066911 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.19 CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210303 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.19 CCCC(=O)Cc1ccc(cn1)F 1458a_100000211992_100000703193 [0,2,0,0,0,0|2,0,0]=4 6554 B13R1.19 CCCC(=O)Cc1ccc(nc1)Br 1458a_100000211992_100009831999 [0,2,0,0,0,0|2,0,0]=4 6555 B13R1.19 CCCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210303 [0,2,0,0,0,0|2,0,0]=4 6556 B13R1.19 CCCC(=O)Cc1ccc(nc1)C 1458a_100000211992_100016987292 [0,2,0,0,0,0|2,0,0]=4 6557 B13R1.19 CCCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210303 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.19 CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210303 [0,2,0,0,0,0|2,0,0]=4 6559 B13R1.19 CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000211992_100000735431 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.19 CCCC(=O)Cc1ccc(nc1)F 1458a_100000211992_100009820150 [0,2,0,0,0,0|2,0,0]=4 6561 B13R1.19 CCCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210303 [0,2,0,0,0,0|2,0,0]=4 6562 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6565 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000211992 [0,2,0,0,0,0|2,0,0]=4 6566 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000211992 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000211992 [0,2,0,0,0,0|2,0,0]=4 6568 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000211992 [0,2,0,0,0,0|2,0,0]=4 6569 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000211992 [0,2,0,0,0,0|2,0,0]=4 6570 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 6573 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 6574 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000211992 [0,2,0,0,0,0|2,0,0]=4 6575 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000211992 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000211992 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000211992 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000211992 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000211992 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000211992 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000211992 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.19 CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211992 [0,2,0,0,0,0|2,0,0]=4 6583 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 11a_100015525214_100000198978 [0,2,0,0,0,0|1,0,0]=3 6584 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 240690a_100015525214_100000198978 [0,2,0,0,0,0|1,0,0]=3 6585 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 527a_100015525214_100000198978 [0,2,0,0,0,0|1,0,0]=3 6586 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 11a_100015525214_100000212244 [0,2,0,0,0,0|1,0,0]=3 6587 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 240690a_100015525214_100000212244 [0,2,0,0,0,0|1,0,0]=3 6588 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 527a_100015525214_100000212244 [0,2,0,0,0,0|1,0,0]=3 6589 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 11a_100015525214_100000211027 [0,2,0,0,0,0|1,0,0]=3 6590 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 240690a_100015525214_100000211027 [0,2,0,0,0,0|1,0,0]=3 6591 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 527a_100015525214_100000211027 [0,2,0,0,0,0|1,0,0]=3 6592 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 11a_100015525214_100000210951 [0,2,0,0,0,0|1,0,0]=3 6593 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 240690a_100015525214_100000210951 [0,2,0,0,0,0|1,0,0]=3 6594 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 527a_100015525214_100000210951 [0,2,0,0,0,0|1,0,0]=3 6595 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 11a_100015525214_100000688869 [0,2,0,0,0,0|1,0,0]=3 6596 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 240690a_100015525214_100000688869 [0,2,0,0,0,0|1,0,0]=3 6597 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 527a_100015525214_100000688869 [0,2,0,0,0,0|1,0,0]=3 6598 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 240690a_100015525214_100000198540 [0,2,0,0,0,0|1,0,0]=3 6599 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 527a_100015525214_100000198540 [0,2,0,0,0,0|1,0,0]=3 6600 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br 11a_100015525214_100020629044 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br 240690a_100015525214_100020629044 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.19 CCNC(=O)Cc1ccc(cn1)C 11a_100015525214_100025705728 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.19 CCNC(=O)Cc1ccc(cn1)C 240690a_100015525214_100025705728 [0,2,0,0,0,0|2,0,0]=4 6604 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 11a_100015525214_100000728320 [0,2,0,0,0,0|2,0,0]=4 6605 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 240690a_100015525214_100000728320 [0,2,0,0,0,0|2,0,0]=4 6606 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 527a_100015525214_100000728320 [0,2,0,0,0,0|2,0,0]=4 6607 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br 11a_100015525214_100010067268 [0,2,0,0,0,0|2,0,0]=4 6608 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br 240690a_100015525214_100010067268 [0,2,0,0,0,0|2,0,0]=4 6609 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br 527a_100015525214_100010067268 [0,2,0,0,0,0|2,0,0]=4 6610 B13R1.19 CCNC(=O)Cc1ccc(nc1)C 11a_100015525214_100000740413 [0,2,0,0,0,0|2,0,0]=4 6611 B13R1.19 CCNC(=O)Cc1ccc(nc1)C 240690a_100015525214_100000740413 [0,2,0,0,0,0|2,0,0]=4 6612 B13R1.19 CCNC(=O)Cc1ccc(nc1)C 527a_100015525214_100000740413 [0,2,0,0,0,0|2,0,0]=4 6613 B13R1.19 CCNC(=O)Cc1ccc(nc1)Cl 11a_100015525214_100000061944 [0,2,0,0,0,0|2,0,0]=4 6614 B13R1.19 CCNC(=O)Cc1ccc(nc1)Cl 240690a_100015525214_100000061944 [0,2,0,0,0,0|2,0,0]=4 6615 B13R1.19 CCNC(=O)Cc1ccc(nc1)Cl 527a_100015525214_100000061944 [0,2,0,0,0,0|2,0,0]=4 6616 B13R1.19 CCNC(=O)Cn1ccc(=O)cc1 11a_100015525214_200000238563 [0,2,0,0,0,0|2,0,0]=4 6617 B13R1.19 CCNC(=O)Cn1ccc(=O)cc1 240690a_100015525214_200000238563 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.19 CCNC(=O)Cn1ccc(=O)cc1 527a_100015525214_200000238563 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.19 CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100015525214 [0,2,0,0,0,0|2,0,0]=4 6620 B13R1.19 CCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100015525214 [0,2,0,0,0,0|2,0,0]=4 6621 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100015525214 [0,2,0,0,0,0|2,0,0]=4 6622 B13R1.19 CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100015525214 [0,2,0,0,0,0|2,0,0]=4 6623 B13R1.19 CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100015525214 [0,2,0,0,0,0|2,0,0]=4 6624 B13R1.19 CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100015525214 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.19 CCOC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000170549 [0,2,0,0,0,0|0,0,0]=2 6626 B13R1.19 CCOC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012359163 [0,2,0,0,0,0|1,0,0]=3 6627 B13R1.19 CCOC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071673 [0,2,0,0,0,0|1,0,0]=3 6628 B13R1.19 CCOC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010214908 [0,2,0,0,0,0|2,0,0]=4 6629 B13R1.19 CCOC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000158341 [0,2,0,0,0,0|1,0,0]=3 6630 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,2,0,0,0,0|1,0,1]=4 6631 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,2,0,0,0,0|1,0,1]=4 6632 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200000210301 [0,2,0,0,0,0|2,0,0]=4 6633 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_106832991635_100000183692 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 34a_100102657272_100000183692 [0,2,0,0,0,0|2,0,0]=4 6635 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 7a_106832991635_100000183692 [0,2,0,0,0,0|2,0,0]=4 6636 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 2230a_106832991635_100000182914 [0,2,0,0,0,0|2,0,0]=4 6637 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 34a_100102657272_100000182914 [0,2,0,0,0,0|2,0,0]=4 6638 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 7a_106832991635_100000182914 [0,2,0,0,0,0|2,0,0]=4 6639 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 2230a_106832991635_100000182960 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 34a_100102657272_100000182960 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 7a_106832991635_100000182960 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200000210301 [0,2,0,0,0,0|2,0,0]=4 6643 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_106832991635_100000181725 [0,2,0,0,0,0|2,0,0]=4 6644 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100025683178_200000210301 [0,2,0,0,0,0|2,0,0]=4 6645 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100102657272_100000181725 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 7a_106832991635_100000181725 [0,2,0,0,0,0|2,0,0]=4 6647 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 2230a_106832991635_100000183000 [0,2,0,0,0,0|2,0,0]=4 6648 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 34a_100102657272_100000183000 [0,2,0,0,0,0|2,0,0]=4 6649 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 7a_106832991635_100000183000 [0,2,0,0,0,0|2,0,0]=4 6650 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100000233757 [0,2,0,0,0,0|2,0,0]=4 6651 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 34a_100102657272_100000233757 [0,2,0,0,0,0|2,0,0]=4 6652 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 7a_106832991635_100000233757 [0,2,0,0,0,0|2,0,0]=4 6653 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 2230a_106832991635_200010760497 [0,2,0,0,0,0|2,0,0]=4 6654 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 34a_100102657272_200010760497 [0,2,0,0,0,0|2,0,0]=4 6655 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 7a_106832991635_200010760497 [0,2,0,0,0,0|2,0,0]=4 6656 B13R1.19 CNNC(=O)Cc1ccc(cc1)Br 22a_100016993582_100000198978 [0,2,0,0,0,0|1,0,0]=3 6657 B13R1.19 CNNC(=O)Cc1ccc(cc1)C 22a_100016993582_100000212244 [0,2,0,0,0,0|1,0,0]=3 6658 B13R1.19 CNNC(=O)Cc1ccc(cc1)Cl 22a_100016993582_100000211027 [0,2,0,0,0,0|1,0,0]=3 6659 B13R1.19 CNNC(=O)Cc1ccc(cc1)F 22a_100016993582_100000210951 [0,2,0,0,0,0|1,0,0]=3 6660 B13R1.19 CNNC(=O)Cc1ccc(cc1)I 22a_100016993582_100000688869 [0,2,0,0,0,0|1,0,0]=3 6661 B13R1.19 CNNC(=O)Cc1ccc(cc1)O 22a_100016993582_100000198540 [0,2,0,0,0,0|1,0,0]=3 6662 B13R1.19 CNNC(=O)Cc1ccc(cn1)Br 22a_100016993582_100020629044 [0,2,0,0,0,0|2,0,0]=4 6663 B13R1.19 CNNC(=O)Cc1ccc(cn1)C 22a_100016993582_100025705728 [0,2,0,0,0,0|2,0,0]=4 6664 B13R1.19 CNNC(=O)Cc1ccc(cn1)Cl 22a_100016993582_100000728320 [0,2,0,0,0,0|2,0,0]=4 6665 B13R1.19 CNNC(=O)Cc1ccc(nc1)Br 22a_100016993582_100010067268 [0,2,0,0,0,0|2,0,0]=4 6666 B13R1.19 CNNC(=O)Cc1ccc(nc1)C 22a_100016993582_100000740413 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.19 CNNC(=O)Cc1ccc(nc1)Cl 22a_100016993582_100000061944 [0,2,0,0,0,0|2,0,0]=4 6668 B13R1.19 CNNC(=O)Cn1ccc(=O)cc1 22a_100016993582_200000238563 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.19 COCC(=O)Cc1ccc(cc1)Br 1458a_100000210968_100000189115 [0,2,0,0,0,0|0,0,0]=2 6670 B13R1.19 COCC(=O)Cc1ccc(cc1)C 1458a_100000210968_100000210814 [0,2,0,0,0,0|0,0,0]=2 6671 B13R1.19 COCC(=O)Cc1ccc(cc1)Cl 1458a_100000210968_100000694040 [0,2,0,0,0,0|0,0,0]=2 6672 B13R1.19 COCC(=O)Cc1ccc(cc1)F 1458a_100000210968_100000198546 [0,2,0,0,0,0|0,0,0]=2 6673 B13R1.19 COCC(=O)Cc1ccc(cc1)I 1458a_100000210968_100000189116 [0,2,0,0,0,0|0,0,0]=2 6674 B13R1.19 COCC(=O)Cc1ccc(cn1)Br 1458a_100000210968_100000702658 [0,2,0,0,0,0|1,0,0]=3 6675 B13R1.19 COCC(=O)Cc1ccc(cn1)C 1458a_100000210968_100000691093 [0,2,0,0,0,0|1,0,0]=3 6676 B13R1.19 COCC(=O)Cc1ccc(cn1)Cl 1458a_100000210968_100012066911 [0,2,0,0,0,0|1,0,0]=3 6677 B13R1.19 COCC(=O)Cc1ccc(cn1)F 1458a_100000210968_100000703193 [0,2,0,0,0,0|1,0,0]=3 6678 B13R1.19 COCC(=O)Cc1ccc(nc1)Br 1458a_100000210968_100009831999 [0,2,0,0,0,0|1,0,0]=3 6679 B13R1.19 COCC(=O)Cc1ccc(nc1)C 1458a_100000210968_100016987292 [0,2,0,0,0,0|1,0,0]=3 6680 B13R1.19 COCC(=O)Cc1ccc(nc1)Cl 1458a_100000210968_100000735431 [0,2,0,0,0,0|1,0,0]=3 6681 B13R1.19 COCC(=O)Cc1ccc(nc1)F 1458a_100000210968_100009820150 [0,2,0,0,0,0|1,0,0]=3 6682 B13R1.19 COCC(=O)Cc1ccc(nn1)Cl 1458a_100000210968_100016992710 [0,2,0,0,0,0|2,0,0]=4 6683 B13R1.19 COCC(=O)Cc1cnc(cn1)C 1458a_100000210968_100000752025 [0,2,0,0,0,0|2,0,0]=4 6684 B13R1.19 COCC(=O)Cc1ncc(cn1)Br 1458a_100000210968_100010064664 [0,2,0,0,0,0|2,0,0]=4 6685 B13R1.19 COCC(=O)Cc1ncc(cn1)C 1458a_100000210968_100000685645 [0,2,0,0,0,0|2,0,0]=4 6686 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210968 [0,2,0,0,0,0|1,0,0]=3 6687 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210968 [0,2,0,0,0,0|1,0,0]=3 6688 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210968 [0,2,0,0,0,0|1,0,0]=3 6689 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 34a_100138415774_100000183692 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210968 [0,2,0,0,0,0|1,0,0]=3 6691 B13R1.19 COCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210968 [0,2,0,0,0,0|1,0,0]=3 6692 B13R1.19 COCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210968 [0,2,0,0,0,0|1,0,0]=3 6693 B13R1.19 COCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210968 [0,2,0,0,0,0|1,0,0]=3 6694 B13R1.19 COCC(=O)Nc1ccc(cc1)C 34a_100138415774_100000182914 [0,2,0,0,0,0|1,0,0]=3 6695 B13R1.19 COCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210968 [0,2,0,0,0,0|1,0,0]=3 6696 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210968 [0,2,0,0,0,0|1,0,0]=3 6697 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210968 [0,2,0,0,0,0|1,0,0]=3 6698 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210968 [0,2,0,0,0,0|1,0,0]=3 6699 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 34a_100138415774_100000182960 [0,2,0,0,0,0|1,0,0]=3 6700 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210968 [0,2,0,0,0,0|1,0,0]=3 6701 B13R1.19 COCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210968 [0,2,0,0,0,0|1,0,0]=3 6702 B13R1.19 COCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210968 [0,2,0,0,0,0|1,0,0]=3 6703 B13R1.19 COCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210968 [0,2,0,0,0,0|1,0,0]=3 6704 B13R1.19 COCC(=O)Nc1ccc(cc1)F 34a_100138415774_100000181725 [0,2,0,0,0,0|1,0,0]=3 6705 B13R1.19 COCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210968 [0,2,0,0,0,0|1,0,0]=3 6706 B13R1.19 COCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210968 [0,2,0,0,0,0|1,0,0]=3 6707 B13R1.19 COCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210968 [0,2,0,0,0,0|1,0,0]=3 6708 B13R1.19 COCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210968 [0,2,0,0,0,0|1,0,0]=3 6709 B13R1.19 COCC(=O)Nc1ccc(cc1)I 34a_100138415774_100000183000 [0,2,0,0,0,0|1,0,0]=3 6710 B13R1.19 COCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210968 [0,2,0,0,0,0|1,0,0]=3 6711 B13R1.19 COCC(=O)Nc1ccc(cc1)N 34a_100011269904_200000210301 [0,2,0,0,0,0|1,0,0]=3 6712 B13R1.19 COCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210968 [0,2,0,0,0,0|1,0,0]=3 6713 B13R1.19 COCC(=O)Nc1ccc(cc1)O 34a_100138415774_100000233757 [0,2,0,0,0,0|1,0,0]=3 6714 B13R1.19 COCC(=O)Nc1ccc(nc1)Cl 34a_100138415774_100020591235 [0,2,0,0,0,0|2,0,0]=4 6715 B13R1.19 COCC(=O)Oc1ccc(cc1)Br 34a_100138415774_200010760497 [0,2,0,0,0,0|1,0,0]=3 6716 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|1,0,1]=4 6717 B13R1.19 COCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000766300 [0,2,0,0,0,0|2,0,0]=4 6718 B13R1.19 COCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000766300 [0,2,0,0,0,0|2,0,0]=4 6719 B13R1.19 COCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000766300 [0,2,0,0,0,0|2,0,0]=4 6720 B13R1.19 COCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000766300 [0,2,0,0,0,0|2,0,0]=4 6721 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 6722 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 6723 B13R1.19 COCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000766300 [0,2,0,0,0,0|2,0,0]=4 6724 B13R1.19 COCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000766300 [0,2,0,0,0,0|2,0,0]=4 6725 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 6726 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.19 CSCC(=O)Cc1ccc(cc1)Br 1458a_100000184570_100000189115 [0,2,0,0,0,0|0,1,0]=3 6728 B13R1.19 CSCC(=O)Cc1ccc(cc1)C 1458a_100000184570_100000210814 [0,2,0,0,0,0|0,1,0]=3 6729 B13R1.19 CSCC(=O)Cc1ccc(cc1)Cl 1458a_100000184570_100000694040 [0,2,0,0,0,0|0,1,0]=3 6730 B13R1.19 CSCC(=O)Cc1ccc(cc1)F 1458a_100000184570_100000198546 [0,2,0,0,0,0|0,1,0]=3 6731 B13R1.19 CSCC(=O)Cc1ccc(cc1)I 1458a_100000184570_100000189116 [0,2,0,0,0,0|0,1,0]=3 6732 B13R1.19 CSCC(=O)Cc1ccc(cn1)Br 1458a_100000184570_100000702658 [0,2,0,0,0,0|1,1,0]=4 6733 B13R1.19 CSCC(=O)Cc1ccc(cn1)C 1458a_100000184570_100000691093 [0,2,0,0,0,0|1,1,0]=4 6734 B13R1.19 CSCC(=O)Cc1ccc(cn1)Cl 1458a_100000184570_100012066911 [0,2,0,0,0,0|1,1,0]=4 6735 B13R1.19 CSCC(=O)Cc1ccc(cn1)F 1458a_100000184570_100000703193 [0,2,0,0,0,0|1,1,0]=4 6736 B13R1.19 CSCC(=O)Cc1ccc(nc1)Br 1458a_100000184570_100009831999 [0,2,0,0,0,0|1,1,0]=4 6737 B13R1.19 CSCC(=O)Cc1ccc(nc1)C 1458a_100000184570_100016987292 [0,2,0,0,0,0|1,1,0]=4 6738 B13R1.19 CSCC(=O)Cc1ccc(nc1)Cl 1458a_100000184570_100000735431 [0,2,0,0,0,0|1,1,0]=4 6739 B13R1.19 CSCC(=O)Cc1ccc(nc1)F 1458a_100000184570_100009820150 [0,2,0,0,0,0|1,1,0]=4 6740 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000184570 [0,2,0,0,0,0|1,1,0]=4 6741 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000184570 [0,2,0,0,0,0|1,1,0]=4 6742 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000184570 [0,2,0,0,0,0|1,1,0]=4 6743 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000184570 [0,2,0,0,0,0|1,1,0]=4 6744 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 62a_100000183692_200000210301 [0,2,0,0,0,0|1,1,0]=4 6745 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 62a_200000210301_100000183692 [0,2,0,0,0,0|1,1,0]=4 6746 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000184570 [0,2,0,0,0,0|1,1,0]=4 6747 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000184570 [0,2,0,0,0,0|1,1,0]=4 6748 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000184570 [0,2,0,0,0,0|1,1,0]=4 6749 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000184570 [0,2,0,0,0,0|1,1,0]=4 6750 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 62a_200000210301_100000182914 [0,2,0,0,0,0|1,1,0]=4 6751 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000184570 [0,2,0,0,0,0|1,1,0]=4 6752 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000184570 [0,2,0,0,0,0|1,1,0]=4 6753 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000184570 [0,2,0,0,0,0|1,1,0]=4 6754 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000184570 [0,2,0,0,0,0|1,1,0]=4 6755 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 62a_200000210301_100000182960 [0,2,0,0,0,0|1,1,0]=4 6756 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_200000210301 [0,2,0,0,0,0|1,1,0]=4 6757 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000184570 [0,2,0,0,0,0|1,1,0]=4 6758 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000184570 [0,2,0,0,0,0|1,1,0]=4 6759 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000184570 [0,2,0,0,0,0|1,1,0]=4 6760 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000184570 [0,2,0,0,0,0|1,1,0]=4 6761 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 62a_200000210301_100000181725 [0,2,0,0,0,0|1,1,0]=4 6762 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 62a_200000243717_200000210301 [0,2,0,0,0,0|1,1,0]=4 6763 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000184570 [0,2,0,0,0,0|1,1,0]=4 6764 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000184570 [0,2,0,0,0,0|1,1,0]=4 6765 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000184570 [0,2,0,0,0,0|1,1,0]=4 6766 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000184570 [0,2,0,0,0,0|1,1,0]=4 6767 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 62a_100000183000_200000210301 [0,2,0,0,0,0|1,1,0]=4 6768 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 62a_200000210301_100000183000 [0,2,0,0,0,0|1,1,0]=4 6769 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000184570 [0,2,0,0,0,0|1,1,0]=4 6770 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 62a_200000210301_100000233757 [0,2,0,0,0,0|1,1,0]=4 6771 B13R1.19 CSCC(=O)Oc1ccc(cc1)Br 62a_200000210301_200010760497 [0,2,0,0,0,0|1,1,0]=4 6772 B13R1.19 CSCC(=O)Oc1ccc(cc1)Br 62a_200010760497_200000210301 [0,2,0,0,0,0|1,1,0]=4 6773 B13R1.19 Cc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000210814 [0,2,0,0,0,0|1,0,1]=4 6774 B13R1.19 Cc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000210814 [0,2,0,0,0,0|1,0,1]=4 6775 B13R1.19 Cc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000210814 [0,2,0,0,0,0|1,0,1]=4 6776 B13R1.19 Cc1ccc(cc1)CC(=O)CC#N 1458a_100000212244_100011214920 [0,2,0,0,0,0|1,0,1]=4 6777 B13R1.19 Cc1ccc(cc1)CC(=O)CC#N 1458a_100051588842_100000210814 [0,2,0,0,0,0|1,0,1]=4 6778 B13R1.19 Cc1ccc(cc1)CC(=O)CCF 1458a_100000212244_100011217306 [0,2,0,0,0,0|1,0,0]=3 6779 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100000212244_100000211926 [0,2,0,0,0,0|1,0,0]=3 6780 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000210814 [0,2,0,0,0,0|1,0,0]=3 6781 B13R1.19 Cc1ccc(cc1)NC(=O)CCO 22a_100000124888_100011216618 [0,2,0,0,0,0|2,0,0]=4 6782 B13R1.19 Cc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000182914 [0,2,0,0,0,0|1,1,0]=4 6783 B13R1.19 Cc1ccc(cn1)CC(=O)CCF 1458a_100000740413_100011217306 [0,2,0,0,0,0|2,0,0]=4 6784 B13R1.19 Cc1ccc(cn1)CC(=O)CCO 1458a_100000740413_100000211926 [0,2,0,0,0,0|2,0,0]=4 6785 B13R1.19 Cc1ccc(cn1)CC(=O)CCO 1458a_100011216618_100016987292 [0,2,0,0,0,0|2,0,0]=4 6786 B13R1.19 Cc1ccc(nc1)CC(=O)CCF 1458a_100025705728_100011217306 [0,2,0,0,0,0|2,0,0]=4 6787 B13R1.19 Cc1ccc(nc1)CC(=O)CCO 1458a_100011216618_100000691093 [0,2,0,0,0,0|2,0,0]=4 6788 B13R1.19 Cc1ccc(nc1)CC(=O)CCO 1458a_100025705728_100000211926 [0,2,0,0,0,0|2,0,0]=4 6789 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100011214920 [0,2,0,0,0,0|1,0,1]=4 6790 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Br 1458a_100051588842_100000189115 [0,2,0,0,0,0|1,0,1]=4 6791 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011214920 [0,2,0,0,0,0|1,0,1]=4 6792 B13R1.19 N#CCC(=O)Cc1ccc(cc1)Cl 1458a_100051588842_100000694040 [0,2,0,0,0,0|1,0,1]=4 6793 B13R1.19 N#CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100011214920 [0,2,0,0,0,0|1,0,1]=4 6794 B13R1.19 N#CCC(=O)Cc1ccc(cc1)F 1458a_100051588842_100000198546 [0,2,0,0,0,0|1,0,1]=4 6795 B13R1.19 N#CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100011214920 [0,2,0,0,0,0|1,0,1]=4 6796 B13R1.19 N#CCC(=O)Cc1ccc(cc1)I 1458a_100051588842_100000189116 [0,2,0,0,0,0|1,0,1]=4 6797 B13R1.19 N#CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011214920 [0,2,0,0,0,0|1,0,1]=4 6798 B13R1.19 NCCC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000743120 [0,2,0,0,0,0|2,0,0]=4 6799 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Br 1458a_100016273825_100000189115 [0,2,0,0,0,0|1,0,1]=4 6800 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Cl 1458a_100016273825_100000694040 [0,2,0,0,0,0|1,0,1]=4 6801 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)F 1458a_100016273825_100000198546 [0,2,0,0,0,0|1,0,1]=4 6802 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)I 1458a_100016273825_100000189116 [0,2,0,0,0,0|1,0,1]=4 6803 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Br 1458a_200016279998_100000189115 [0,2,0,0,0,0|1,0,1]=4 6804 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Cl 1458a_200016279998_100000694040 [0,2,0,0,0,0|1,0,1]=4 6805 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)F 1458a_200016279998_100000198546 [0,2,0,0,0,0|1,0,1]=4 6806 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)I 1458a_200016279998_100000189116 [0,2,0,0,0,0|1,0,1]=4 6807 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Br 1458a_100016256311_100000189115 [0,2,0,0,0,0|1,0,1]=4 6808 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Cl 1458a_100016256311_100000694040 [0,2,0,0,0,0|1,0,1]=4 6809 B13R1.19 O=C(C=CI)Cc1ccc(cc1)F 1458a_100016256311_100000198546 [0,2,0,0,0,0|1,0,1]=4 6810 B13R1.19 O=C(C=CI)Cc1ccc(cc1)I 1458a_100016256311_100000189116 [0,2,0,0,0,0|1,0,1]=4 6811 B13R1.19 O=C(CCF)Cc1ccc(cc1)Br 1458a_100000198978_100011217306 [0,2,0,0,0,0|1,0,0]=3 6812 B13R1.19 O=C(CCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011217306 [0,2,0,0,0,0|1,0,0]=3 6813 B13R1.19 O=C(CCF)Cc1ccc(cc1)F 1458a_100000210951_100011217306 [0,2,0,0,0,0|1,0,0]=3 6814 B13R1.19 O=C(CCF)Cc1ccc(cc1)I 1458a_100000688869_100011217306 [0,2,0,0,0,0|1,0,0]=3 6815 B13R1.19 O=C(CCF)Cc1ccc(cc1)O 1458a_100000198540_100011217306 [0,2,0,0,0,0|1,0,0]=3 6816 B13R1.19 O=C(CCF)Cc1ccc(cn1)Br 1458a_100020629044_100011217306 [0,2,0,0,0,0|2,0,0]=4 6817 B13R1.19 O=C(CCF)Cc1ccc(cn1)Cl 1458a_100000728320_100011217306 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.19 O=C(CCF)Cc1ccc(nc1)Br 1458a_100010067268_100011217306 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.19 O=C(CCF)Cc1ccc(nc1)Cl 1458a_100000061944_100011217306 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.19 O=C(CCF)Cn1ccc(=O)cc1 1458a_200000238563_100011217306 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100000198978_100000211926 [0,2,0,0,0,0|1,0,0]=3 6822 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100011216618_100000189115 [0,2,0,0,0,0|1,0,0]=3 6823 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [0,2,0,0,0,0|1,0,0]=3 6824 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [0,2,0,0,0,0|1,0,0]=3 6825 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100000210951_100000211926 [0,2,0,0,0,0|1,0,0]=3 6826 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100011216618_100000198546 [0,2,0,0,0,0|1,0,0]=3 6827 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100000688869_100000211926 [0,2,0,0,0,0|1,0,0]=3 6828 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100011216618_100000189116 [0,2,0,0,0,0|1,0,0]=3 6829 B13R1.19 O=C(CCO)Cc1ccc(cc1)O 1458a_100000198540_100000211926 [0,2,0,0,0,0|1,0,0]=3 6830 B13R1.19 O=C(CCO)Cc1ccc(cn1)Br 1458a_100011216618_100000702658 [0,2,0,0,0,0|2,0,0]=4 6831 B13R1.19 O=C(CCO)Cc1ccc(cn1)Br 1458a_100020629044_100000211926 [0,2,0,0,0,0|2,0,0]=4 6832 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100000728320_100000211926 [0,2,0,0,0,0|2,0,0]=4 6833 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100011216618_100012066911 [0,2,0,0,0,0|2,0,0]=4 6834 B13R1.19 O=C(CCO)Cc1ccc(cn1)F 1458a_100011216618_100000703193 [0,2,0,0,0,0|2,0,0]=4 6835 B13R1.19 O=C(CCO)Cc1ccc(nc1)Br 1458a_100010067268_100000211926 [0,2,0,0,0,0|2,0,0]=4 6836 B13R1.19 O=C(CCO)Cc1ccc(nc1)Br 1458a_100011216618_100009831999 [0,2,0,0,0,0|2,0,0]=4 6837 B13R1.19 O=C(CCO)Cc1ccc(nc1)Cl 1458a_100000061944_100000211926 [0,2,0,0,0,0|2,0,0]=4 6838 B13R1.19 O=C(CCO)Cc1ccc(nc1)Cl 1458a_100011216618_100000735431 [0,2,0,0,0,0|2,0,0]=4 6839 B13R1.19 O=C(CCO)Cc1ccc(nc1)F 1458a_100011216618_100009820150 [0,2,0,0,0,0|2,0,0]=4 6840 B13R1.19 O=C(CCO)Cn1ccc(=O)cc1 1458a_200000238563_100000211926 [0,2,0,0,0,0|2,0,0]=4 6841 B13R1.19 O=C(CCO)Nc1ccc(cc1)Br 22a_100000210018_100011216618 [0,2,0,0,0,0|2,0,0]=4 6842 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl 22a_100000210052_100011216618 [0,2,0,0,0,0|2,0,0]=4 6843 B13R1.19 O=C(CCO)Nc1ccc(cc1)F 22a_100000185862_100011216618 [0,2,0,0,0,0|2,0,0]=4 6844 B13R1.19 O=C(CCO)Nc1ccc(cc1)I 22a_100000185761_100011216618 [0,2,0,0,0,0|2,0,0]=4 6845 B13R1.19 O=C(CCO)Nc1ccc(cc1)O 22a_100000185829_100011216618 [0,2,0,0,0,0|2,0,0]=4 6846 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200025704644 [0,2,0,0,0,0|2,0,0]=4 6847 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200025704644 [0,2,0,0,0,0|2,0,0]=4 6848 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 34a_100025683178_200025704644 [0,2,0,0,0,0|2,0,0]=4 6849 B13R1.19 [13CH3]OCC(=O)Nc1ccc(cc1)N 34a_100011269904_200025704644 [0,2,0,0,0,0|1,0,0]=3 6850 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|1,0,1]=4 6851 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Br 62a_100000183692_200025704644 [0,2,0,0,0,0|1,1,0]=4 6852 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Br 62a_200025704644_100000183692 [0,2,0,0,0,0|1,1,0]=4 6853 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_200025704644 [0,2,0,0,0,0|1,1,0]=4 6854 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Cl 62a_200025704644_100000182960 [0,2,0,0,0,0|1,1,0]=4 6855 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)F 62a_200000243717_200025704644 [0,2,0,0,0,0|1,1,0]=4 6856 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)F 62a_200025704644_100000181725 [0,2,0,0,0,0|1,1,0]=4 6857 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)I 62a_100000183000_200025704644 [0,2,0,0,0,0|1,1,0]=4 6858 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)I 62a_200025704644_100000183000 [0,2,0,0,0,0|1,1,0]=4 6859 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)O 62a_200025704644_100000233757 [0,2,0,0,0,0|1,1,0]=4 6860 B13R1.19 [13CH3]SCC(=O)Oc1ccc(cc1)Br 62a_200010760497_200025704644 [0,2,0,0,0,0|1,1,0]=4 6861 B13R1.19 [13CH3]SCC(=O)Oc1ccc(cc1)Br 62a_200025704644_200010760497 [0,2,0,0,0,0|1,1,0]=4 6862 B13R1.20 C#CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000184674 [0,2,0,0,0,0|1,0,1]=4 6863 B13R1.20 C#CCC(=O)Cc1cccc(c1)Br 1458a_100011220946_100000211773 [0,2,0,0,0,0|1,0,1]=4 6864 B13R1.20 C#CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000184674 [0,2,0,0,0,0|1,0,1]=4 6865 B13R1.20 C#CCC(=O)Cc1cccc(c1)C 1458a_100011220946_100000211840 [0,2,0,0,0,0|1,0,1]=4 6866 B13R1.20 C#CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000184674 [0,2,0,0,0,0|1,0,1]=4 6867 B13R1.20 C#CCC(=O)Cc1cccc(c1)Cl 1458a_100011220946_100000181238 [0,2,0,0,0,0|1,0,1]=4 6868 B13R1.20 C#CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000184674 [0,2,0,0,0,0|1,0,1]=4 6869 B13R1.20 C#CCC(=O)Cc1cccc(c1)F 1458a_100011220946_100000230114 [0,2,0,0,0,0|1,0,1]=4 6870 B13R1.20 C#CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000184674 [0,2,0,0,0,0|1,0,1]=4 6871 B13R1.20 C#CCC(=O)Cc1cccc(c1)I 1458a_100011220946_100011218688 [0,2,0,0,0,0|1,0,1]=4 6872 B13R1.20 C#CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000184674 [0,2,0,0,0,0|1,0,1]=4 6873 B13R1.20 C#CCC(=O)Cc1cccc(c1)O 1458a_100011220946_100011660834 [0,2,0,0,0,0|1,0,1]=4 6874 B13R1.20 C=CCC(=O)Cc1cccc(c1)Br 1458a_100000210193_100000211773 [0,2,0,0,0,0|1,0,1]=4 6875 B13R1.20 C=CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210623 [0,2,0,0,0,0|1,0,1]=4 6876 B13R1.20 C=CCC(=O)Cc1cccc(c1)C 1458a_100000210193_100000211840 [0,2,0,0,0,0|1,0,1]=4 6877 B13R1.20 C=CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210623 [0,2,0,0,0,0|1,0,1]=4 6878 B13R1.20 C=CCC(=O)Cc1cccc(c1)Cl 1458a_100000210193_100000181238 [0,2,0,0,0,0|1,0,1]=4 6879 B13R1.20 C=CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210623 [0,2,0,0,0,0|1,0,1]=4 6880 B13R1.20 C=CCC(=O)Cc1cccc(c1)F 1458a_100000210193_100000230114 [0,2,0,0,0,0|1,0,1]=4 6881 B13R1.20 C=CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210623 [0,2,0,0,0,0|1,0,1]=4 6882 B13R1.20 C=CCC(=O)Cc1cccc(c1)I 1458a_100000210193_100011218688 [0,2,0,0,0,0|1,0,1]=4 6883 B13R1.20 C=CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210623 [0,2,0,0,0,0|1,0,1]=4 6884 B13R1.20 C=CCC(=O)Cc1cccc(c1)O 1458a_100000210193_100011660834 [0,2,0,0,0,0|1,0,1]=4 6885 B13R1.20 C=CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210623 [0,2,0,0,0,0|1,0,1]=4 6886 B13R1.20 CC#CC(=O)Cc1cc(ccn1)Br 1458a_100000763181_100010173614 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.20 CC#CC(=O)Cc1cc(ccn1)C 1458a_100000763181_100000718516 [0,2,0,0,0,0|2,0,0]=4 6888 B13R1.20 CC#CC(=O)Cc1cc(ccn1)Cl 1458a_100000763181_100016988179 [0,2,0,0,0,0|2,0,0]=4 6889 B13R1.20 CC#CC(=O)Cc1cccc(c1)Br 1458a_100000763181_100000211773 [0,2,0,0,0,0|1,0,0]=3 6890 B13R1.20 CC#CC(=O)Cc1cccc(c1)C 1458a_100000763181_100000211840 [0,2,0,0,0,0|1,0,0]=3 6891 B13R1.20 CC#CC(=O)Cc1cccc(c1)Cl 1458a_100000763181_100000181238 [0,2,0,0,0,0|1,0,0]=3 6892 B13R1.20 CC#CC(=O)Cc1cccc(c1)F 1458a_100000763181_100000230114 [0,2,0,0,0,0|1,0,0]=3 6893 B13R1.20 CC#CC(=O)Cc1cccc(c1)I 1458a_100000763181_100011218688 [0,2,0,0,0,0|1,0,0]=3 6894 B13R1.20 CC#CC(=O)Cc1cccc(c1)O 1458a_100000763181_100011660834 [0,2,0,0,0,0|1,0,0]=3 6895 B13R1.20 CC#CC(=O)Cc1cccc(n1)Br 1458a_100000763181_100009889011 [0,2,0,0,0,0|2,0,0]=4 6896 B13R1.20 CC#CC(=O)Cc1cccc(n1)C 1458a_100000763181_100000757606 [0,2,0,0,0,0|2,0,0]=4 6897 B13R1.20 CC#CC(=O)Cc1cccc(n1)Cl 1458a_100000763181_100000086093 [0,2,0,0,0,0|2,0,0]=4 6898 B13R1.20 CC#CC(=O)Cc1cccc(n1)F 1458a_100000763181_100009819644 [0,2,0,0,0,0|2,0,0]=4 6899 B13R1.20 CC#CC(=O)Cc1ccnc(c1)Br 1458a_100000763181_100010243470 [0,2,0,0,0,0|2,0,0]=4 6900 B13R1.20 CC#CC(=O)Cc1ccnc(c1)C 1458a_100000763181_200020672517 [0,2,0,0,0,0|2,0,0]=4 6901 B13R1.20 CC#CC(=O)Cc1ccnc(c1)Cl 1458a_100000763181_100000764220 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.20 CC#CC(=O)Cc1cncc(c1)Br 1458a_100000763181_100011740620 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.20 CC#CC(=O)Cc1cncc(c1)C 1458a_100000763181_100000716715 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.20 CC#CC(=O)Cc1cncc(c1)Cl 1458a_100000763181_100016992070 [0,2,0,0,0,0|2,0,0]=4 6905 B13R1.20 CC#CC(=O)Cc1cncc(c1)F 1458a_100000763181_100000725299 [0,2,0,0,0,0|2,0,0]=4 6906 B13R1.20 CC#CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000763181 [0,2,0,0,0,0|2,0,0]=4 6907 B13R1.20 CC#CC(=O)Nc1cccc(c1)C 22a_100000188690_100000763181 [0,2,0,0,0,0|2,0,0]=4 6908 B13R1.20 CC#CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000763181 [0,2,0,0,0,0|2,0,0]=4 6909 B13R1.20 CC#CC(=O)Nc1cccc(c1)F 22a_100000210047_100000763181 [0,2,0,0,0,0|2,0,0]=4 6910 B13R1.20 CC#CC(=O)Nc1cccc(c1)I 22a_100000211102_100000763181 [0,2,0,0,0,0|2,0,0]=4 6911 B13R1.20 CC#CC(=O)Nc1cccc(c1)O 22a_100000210217_100000763181 [0,2,0,0,0,0|2,0,0]=4 6912 B13R1.20 CC=CC(=O)Cc1cc(ccn1)Br 1458a_100000210699_100010173614 [0,2,0,0,0,0|2,0,0]=4 6913 B13R1.20 CC=CC(=O)Cc1cc(ccn1)C 1458a_100000210699_100000718516 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.20 CC=CC(=O)Cc1cc(ccn1)Cl 1458a_100000210699_100016988179 [0,2,0,0,0,0|2,0,0]=4 6915 B13R1.20 CC=CC(=O)Cc1cccc(c1)Br 1458a_100000210699_100000211773 [0,2,0,0,0,0|1,0,0]=3 6916 B13R1.20 CC=CC(=O)Cc1cccc(c1)C 1458a_100000210699_100000211840 [0,2,0,0,0,0|1,0,0]=3 6917 B13R1.20 CC=CC(=O)Cc1cccc(c1)Cl 1458a_100000210699_100000181238 [0,2,0,0,0,0|1,0,0]=3 6918 B13R1.20 CC=CC(=O)Cc1cccc(c1)F 1458a_100000210699_100000230114 [0,2,0,0,0,0|1,0,0]=3 6919 B13R1.20 CC=CC(=O)Cc1cccc(c1)I 1458a_100000210699_100011218688 [0,2,0,0,0,0|1,0,0]=3 6920 B13R1.20 CC=CC(=O)Cc1cccc(c1)O 1458a_100000210699_100011660834 [0,2,0,0,0,0|1,0,0]=3 6921 B13R1.20 CC=CC(=O)Cc1cccc(n1)Br 1458a_100000210699_100009889011 [0,2,0,0,0,0|2,0,0]=4 6922 B13R1.20 CC=CC(=O)Cc1cccc(n1)C 1458a_100000210699_100000757606 [0,2,0,0,0,0|2,0,0]=4 6923 B13R1.20 CC=CC(=O)Cc1cccc(n1)Cl 1458a_100000210699_100000086093 [0,2,0,0,0,0|2,0,0]=4 6924 B13R1.20 CC=CC(=O)Cc1cccc(n1)F 1458a_100000210699_100009819644 [0,2,0,0,0,0|2,0,0]=4 6925 B13R1.20 CC=CC(=O)Cc1ccnc(c1)Br 1458a_100000210699_100010243470 [0,2,0,0,0,0|2,0,0]=4 6926 B13R1.20 CC=CC(=O)Cc1ccnc(c1)C 1458a_100000210699_200020672517 [0,2,0,0,0,0|2,0,0]=4 6927 B13R1.20 CC=CC(=O)Cc1ccnc(c1)Cl 1458a_100000210699_100000764220 [0,2,0,0,0,0|2,0,0]=4 6928 B13R1.20 CC=CC(=O)Cc1cncc(c1)Br 1458a_100000210699_100011740620 [0,2,0,0,0,0|2,0,0]=4 6929 B13R1.20 CC=CC(=O)Cc1cncc(c1)C 1458a_100000210699_100000716715 [0,2,0,0,0,0|2,0,0]=4 6930 B13R1.20 CC=CC(=O)Cc1cncc(c1)Cl 1458a_100000210699_100016992070 [0,2,0,0,0,0|2,0,0]=4 6931 B13R1.20 CC=CC(=O)Cc1cncc(c1)F 1458a_100000210699_100000725299 [0,2,0,0,0,0|2,0,0]=4 6932 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210699 [0,2,0,0,0,0|2,0,0]=4 6933 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210699 [0,2,0,0,0,0|2,0,0]=4 6934 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210699 [0,2,0,0,0,0|2,0,0]=4 6935 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,2,0,0,0,0|2,0,0]=4 6936 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,2,0,0,0,0|2,0,0]=4 6937 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,2,0,0,0,0|2,0,0]=4 6938 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210699 [0,2,0,0,0,0|2,0,0]=4 6939 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210699 [0,2,0,0,0,0|2,0,0]=4 6940 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210699 [0,2,0,0,0,0|2,0,0]=4 6941 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000210699 [0,2,0,0,0,0|2,0,0]=4 6942 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210699 [0,2,0,0,0,0|2,0,0]=4 6943 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000210699 [0,2,0,0,0,0|2,0,0]=4 6944 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000210699 [0,2,0,0,0,0|2,0,0]=4 6945 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210699 [0,2,0,0,0,0|2,0,0]=4 6946 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000210699 [0,2,0,0,0,0|2,0,0]=4 6947 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,2,0,0,0,0|2,0,0]=4 6948 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,2,0,0,0,0|2,0,0]=4 6949 B13R1.20 CCCC(=O)Cc1cc(ccn1)Br 1458a_100000211992_100010173614 [0,2,0,0,0,0|2,0,0]=4 6950 B13R1.20 CCCC(=O)Cc1cc(ccn1)C 1458a_100000211992_100000718516 [0,2,0,0,0,0|2,0,0]=4 6951 B13R1.20 CCCC(=O)Cc1cc(ccn1)Cl 1458a_100000211992_100016988179 [0,2,0,0,0,0|2,0,0]=4 6952 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,2,0,0,0,0|1,0,0]=3 6953 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,2,0,0,0,0|1,0,0]=3 6954 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,2,0,0,0,0|1,0,0]=3 6955 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,2,0,0,0,0|1,0,0]=3 6956 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,2,0,0,0,0|1,0,0]=3 6957 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,2,0,0,0,0|1,0,0]=3 6958 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,2,0,0,0,0|1,0,0]=3 6959 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,2,0,0,0,0|1,0,0]=3 6960 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,2,0,0,0,0|1,0,0]=3 6961 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,2,0,0,0,0|1,0,0]=3 6962 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,2,0,0,0,0|1,0,0]=3 6963 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,2,0,0,0,0|1,0,0]=3 6964 B13R1.20 CCCC(=O)Cc1cccc(n1)Br 1458a_100000211992_100009889011 [0,2,0,0,0,0|2,0,0]=4 6965 B13R1.20 CCCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210303 [0,2,0,0,0,0|2,0,0]=4 6966 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100000211992_100000757606 [0,2,0,0,0,0|2,0,0]=4 6967 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210303 [0,2,0,0,0,0|2,0,0]=4 6968 B13R1.20 CCCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210303 [0,2,0,0,0,0|2,0,0]=4 6969 B13R1.20 CCCC(=O)Cc1cccc(n1)Cl 1458a_100000211992_100000086093 [0,2,0,0,0,0|2,0,0]=4 6970 B13R1.20 CCCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210303 [0,2,0,0,0,0|2,0,0]=4 6971 B13R1.20 CCCC(=O)Cc1cccc(n1)F 1458a_100000211992_100009819644 [0,2,0,0,0,0|2,0,0]=4 6972 B13R1.20 CCCC(=O)Cc1ccnc(c1)Br 1458a_100000211992_100010243470 [0,2,0,0,0,0|2,0,0]=4 6973 B13R1.20 CCCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210303 [0,2,0,0,0,0|2,0,0]=4 6974 B13R1.20 CCCC(=O)Cc1ccnc(c1)C 1458a_100000211992_200020672517 [0,2,0,0,0,0|2,0,0]=4 6975 B13R1.20 CCCC(=O)Cc1ccnc(c1)Cl 1458a_100000211992_100000764220 [0,2,0,0,0,0|2,0,0]=4 6976 B13R1.20 CCCC(=O)Cc1cncc(c1)Br 1458a_100000211992_100011740620 [0,2,0,0,0,0|2,0,0]=4 6977 B13R1.20 CCCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210303 [0,2,0,0,0,0|2,0,0]=4 6978 B13R1.20 CCCC(=O)Cc1cncc(c1)C 1458a_100000211992_100000716715 [0,2,0,0,0,0|2,0,0]=4 6979 B13R1.20 CCCC(=O)Cc1cncc(c1)Cl 1458a_100000211992_100016992070 [0,2,0,0,0,0|2,0,0]=4 6980 B13R1.20 CCCC(=O)Cc1cncc(c1)F 1458a_100000211992_100000725299 [0,2,0,0,0,0|2,0,0]=4 6981 B13R1.20 CCCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210303 [0,2,0,0,0,0|2,0,0]=4 6982 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211992 [0,2,0,0,0,0|2,0,0]=4 6983 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211992 [0,2,0,0,0,0|2,0,0]=4 6984 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211992 [0,2,0,0,0,0|2,0,0]=4 6985 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211992 [0,2,0,0,0,0|2,0,0]=4 6986 B13R1.20 CCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211992 [0,2,0,0,0,0|2,0,0]=4 6987 B13R1.20 CCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211992 [0,2,0,0,0,0|2,0,0]=4 6988 B13R1.20 CCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211992 [0,2,0,0,0,0|2,0,0]=4 6989 B13R1.20 CCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211992 [0,2,0,0,0,0|2,0,0]=4 6990 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211992 [0,2,0,0,0,0|2,0,0]=4 6991 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211992 [0,2,0,0,0,0|2,0,0]=4 6992 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211992 [0,2,0,0,0,0|2,0,0]=4 6993 B13R1.20 CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211992 [0,2,0,0,0,0|2,0,0]=4 6994 B13R1.20 CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211992 [0,2,0,0,0,0|2,0,0]=4 6995 B13R1.20 CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211992 [0,2,0,0,0,0|2,0,0]=4 6996 B13R1.20 CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211992 [0,2,0,0,0,0|2,0,0]=4 6997 B13R1.20 CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211992 [0,2,0,0,0,0|2,0,0]=4 6998 B13R1.20 CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211992 [0,2,0,0,0,0|2,0,0]=4 6999 B13R1.20 CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211992 [0,2,0,0,0,0|2,0,0]=4 7000 B13R1.20 CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211992 [0,2,0,0,0,0|2,0,0]=4 7001 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [0,2,0,0,0,0|2,0,0]=4 7002 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [0,2,0,0,0,0|2,0,0]=4 7003 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [0,2,0,0,0,0|2,0,0]=4 7004 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 11a_100015525214_100000747190 [0,2,0,0,0,0|1,0,0]=3 7005 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 240690a_100015525214_100000747190 [0,2,0,0,0,0|1,0,0]=3 7006 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 527a_100015525214_100000747190 [0,2,0,0,0,0|1,0,0]=3 7007 B13R1.20 CCNC(=O)Cc1cccc(c1)C 11a_100015525214_100011206899 [0,2,0,0,0,0|1,0,0]=3 7008 B13R1.20 CCNC(=O)Cc1cccc(c1)C 240690a_100015525214_100011206899 [0,2,0,0,0,0|1,0,0]=3 7009 B13R1.20 CCNC(=O)Cc1cccc(c1)C 527a_100015525214_100011206899 [0,2,0,0,0,0|1,0,0]=3 7010 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 11a_100015525214_100000749307 [0,2,0,0,0,0|1,0,0]=3 7011 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 240690a_100015525214_100000749307 [0,2,0,0,0,0|1,0,0]=3 7012 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 527a_100015525214_100000749307 [0,2,0,0,0,0|1,0,0]=3 7013 B13R1.20 CCNC(=O)Cc1cccc(c1)F 11a_100015525214_100000211661 [0,2,0,0,0,0|1,0,0]=3 7014 B13R1.20 CCNC(=O)Cc1cccc(c1)F 240690a_100015525214_100000211661 [0,2,0,0,0,0|1,0,0]=3 7015 B13R1.20 CCNC(=O)Cc1cccc(c1)F 527a_100015525214_100000211661 [0,2,0,0,0,0|1,0,0]=3 7016 B13R1.20 CCNC(=O)Cc1cccc(c1)I 11a_100015525214_100000238430 [0,2,0,0,0,0|1,0,0]=3 7017 B13R1.20 CCNC(=O)Cc1cccc(c1)I 240690a_100015525214_100000238430 [0,2,0,0,0,0|1,0,0]=3 7018 B13R1.20 CCNC(=O)Cc1cccc(c1)I 527a_100015525214_100000238430 [0,2,0,0,0,0|1,0,0]=3 7019 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [0,2,0,0,0,0|1,0,0]=3 7020 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [0,2,0,0,0,0|1,0,0]=3 7021 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 11a_100015525214_100010201708 [0,2,0,0,0,0|2,0,0]=4 7022 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 240690a_100015525214_100010201708 [0,2,0,0,0,0|2,0,0]=4 7023 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 527a_100015525214_100010201708 [0,2,0,0,0,0|2,0,0]=4 7024 B13R1.20 CCNC(=O)Cc1cccc(n1)C 11a_100015525214_100012001110 [0,2,0,0,0,0|2,0,0]=4 7025 B13R1.20 CCNC(=O)Cc1cccc(n1)C 240690a_100015525214_100012001110 [0,2,0,0,0,0|2,0,0]=4 7026 B13R1.20 CCNC(=O)Cc1cccc(n1)C 527a_100015525214_100012001110 [0,2,0,0,0,0|2,0,0]=4 7027 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 11a_100015525214_100000090259 [0,2,0,0,0,0|2,0,0]=4 7028 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 240690a_100015525214_100000090259 [0,2,0,0,0,0|2,0,0]=4 7029 B13R1.20 CCNC(=O)Cc1cccc(n1)F 11a_100015525214_100000096803 [0,2,0,0,0,0|2,0,0]=4 7030 B13R1.20 CCNC(=O)Cc1cccc(n1)F 240690a_100015525214_100000096803 [0,2,0,0,0,0|2,0,0]=4 7031 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 11a_100015525214_100010126891 [0,2,0,0,0,0|2,0,0]=4 7032 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 240690a_100015525214_100010126891 [0,2,0,0,0,0|2,0,0]=4 7033 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 527a_100015525214_100010126891 [0,2,0,0,0,0|2,0,0]=4 7034 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 11a_100015525214_100000085289 [0,2,0,0,0,0|2,0,0]=4 7035 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 240690a_100015525214_100000085289 [0,2,0,0,0,0|2,0,0]=4 7036 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 527a_100015525214_100000085289 [0,2,0,0,0,0|2,0,0]=4 7037 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 11a_100015525214_100000239331 [0,2,0,0,0,0|2,0,0]=4 7038 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 240690a_100015525214_100000239331 [0,2,0,0,0,0|2,0,0]=4 7039 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 527a_100015525214_100000239331 [0,2,0,0,0,0|2,0,0]=4 7040 B13R1.20 CCNC(=O)Cc1cncc(c1)F 11a_100015525214_100011667516 [0,2,0,0,0,0|2,0,0]=4 7041 B13R1.20 CCNC(=O)Cc1cncc(c1)F 240690a_100015525214_100011667516 [0,2,0,0,0,0|2,0,0]=4 7042 B13R1.20 CCNC(=O)Cc1cncc(c1)F 527a_100015525214_100011667516 [0,2,0,0,0,0|2,0,0]=4 7043 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100015525214 [0,2,0,0,0,0|2,0,0]=4 7044 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100015525214 [0,2,0,0,0,0|2,0,0]=4 7045 B13R1.20 CCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100015525214 [0,2,0,0,0,0|2,0,0]=4 7046 B13R1.20 CCNC(=O)Nc1cccc(c1)C 512a_100000188690_100015525214 [0,2,0,0,0,0|2,0,0]=4 7047 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100015525214 [0,2,0,0,0,0|2,0,0]=4 7048 B13R1.20 CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100015525214 [0,2,0,0,0,0|2,0,0]=4 7049 B13R1.20 CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100015525214 [0,2,0,0,0,0|2,0,0]=4 7050 B13R1.20 CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100015525214 [0,2,0,0,0,0|2,0,0]=4 7051 B13R1.20 CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100015525214 [0,2,0,0,0,0|2,0,0]=4 7052 B13R1.20 CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100015525214 [0,2,0,0,0,0|2,0,0]=4 7053 B13R1.20 CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100015525214 [0,2,0,0,0,0|2,0,0]=4 7054 B13R1.20 CCOC(=O)Cc1cc(ccn1)O 271570a_203496583355_100000716784 [0,2,0,0,0,0|1,0,0]=3 7055 B13R1.20 CCOC(=O)Cc1cc(ncn1)O 271570a_203496583355_100010155067 [0,2,0,0,0,0|2,0,0]=4 7056 B13R1.20 CCOC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586817 [0,2,0,0,0,0|0,0,0]=2 7057 B13R1.20 CCOC(=O)Cc1cccc(n1)O 271570a_203496583355_100010230180 [0,2,0,0,0,0|1,0,0]=3 7058 B13R1.20 CCOC(=O)Cc1ccnc(c1)O 271570a_203496583355_100000696486 [0,2,0,0,0,0|1,0,0]=3 7059 B13R1.20 CCOC(=O)Cc1cncc(n1)O 271570a_203496583355_200010173988 [0,2,0,0,0,0|2,0,0]=4 7060 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 2230a_106832991635_100000183509 [0,2,0,0,0,0|2,0,0]=4 7061 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 34a_100102657272_100000183509 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 7a_106832991635_100000183509 [0,2,0,0,0,0|2,0,0]=4 7063 B13R1.20 CNCC(=O)Nc1cccc(c1)C 2230a_106832991635_100000182861 [0,2,0,0,0,0|2,0,0]=4 7064 B13R1.20 CNCC(=O)Nc1cccc(c1)C 34a_100102657272_100000182861 [0,2,0,0,0,0|2,0,0]=4 7065 B13R1.20 CNCC(=O)Nc1cccc(c1)C 7a_106832991635_100000182861 [0,2,0,0,0,0|2,0,0]=4 7066 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200000210301 [0,2,0,0,0,0|2,0,0]=4 7067 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000182995 [0,2,0,0,0,0|2,0,0]=4 7068 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 34a_100102657272_100000182995 [0,2,0,0,0,0|2,0,0]=4 7069 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 7a_106832991635_100000182995 [0,2,0,0,0,0|2,0,0]=4 7070 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_100000168492_200000210301 [0,2,0,0,0,0|2,0,0]=4 7071 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_106832991635_100000183335 [0,2,0,0,0,0|2,0,0]=4 7072 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100000168492_200000210301 [0,2,0,0,0,0|2,0,0]=4 7073 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100102657272_100000183335 [0,2,0,0,0,0|2,0,0]=4 7074 B13R1.20 CNCC(=O)Nc1cccc(c1)F 7a_106832991635_100000183335 [0,2,0,0,0,0|2,0,0]=4 7075 B13R1.20 CNCC(=O)Nc1cccc(c1)O 2230a_106832991635_100011236192 [0,2,0,0,0,0|2,0,0]=4 7076 B13R1.20 CNCC(=O)Nc1cccc(c1)O 34a_100102657272_100011236192 [0,2,0,0,0,0|2,0,0]=4 7077 B13R1.20 CNCC(=O)Nc1cccc(c1)O 7a_106832991635_100011236192 [0,2,0,0,0,0|2,0,0]=4 7078 B13R1.20 CNNC(=O)Cc1cccc(c1)Br 22a_100016993582_100000747190 [0,2,0,0,0,0|1,0,0]=3 7079 B13R1.20 CNNC(=O)Cc1cccc(c1)C 22a_100016993582_100011206899 [0,2,0,0,0,0|1,0,0]=3 7080 B13R1.20 CNNC(=O)Cc1cccc(c1)Cl 22a_100016993582_100000749307 [0,2,0,0,0,0|1,0,0]=3 7081 B13R1.20 CNNC(=O)Cc1cccc(c1)F 22a_100016993582_100000211661 [0,2,0,0,0,0|1,0,0]=3 7082 B13R1.20 CNNC(=O)Cc1cccc(c1)I 22a_100016993582_100000238430 [0,2,0,0,0,0|1,0,0]=3 7083 B13R1.20 CNNC(=O)Cc1cccc(c1)O 22a_100016993582_100000745134 [0,2,0,0,0,0|1,0,0]=3 7084 B13R1.20 CNNC(=O)Cc1cccc(n1)Br 22a_100016993582_100010201708 [0,2,0,0,0,0|2,0,0]=4 7085 B13R1.20 CNNC(=O)Cc1cccc(n1)C 22a_100016993582_100012001110 [0,2,0,0,0,0|2,0,0]=4 7086 B13R1.20 CNNC(=O)Cc1cccc(n1)Cl 22a_100016993582_100000090259 [0,2,0,0,0,0|2,0,0]=4 7087 B13R1.20 CNNC(=O)Cc1ccnc(c1)Br 22a_100016993582_100010126891 [0,2,0,0,0,0|2,0,0]=4 7088 B13R1.20 CNNC(=O)Cc1ccnc(c1)Cl 22a_100016993582_100000085289 [0,2,0,0,0,0|2,0,0]=4 7089 B13R1.20 CNNC(=O)Cc1cncc(c1)Br 22a_100016993582_100000239331 [0,2,0,0,0,0|2,0,0]=4 7090 B13R1.20 CNNC(=O)Cc1cncc(c1)F 22a_100016993582_100011667516 [0,2,0,0,0,0|2,0,0]=4 7091 B13R1.20 CNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100016993582 [0,2,0,0,0,0|2,0,0]=4 7092 B13R1.20 CNNC(=O)Nc1cccc(c1)C 512a_100000188690_100016993582 [0,2,0,0,0,0|2,0,0]=4 7093 B13R1.20 CNNC(=O)Nc1cccc(c1)F 512a_100000210047_100016993582 [0,2,0,0,0,0|2,0,0]=4 7094 B13R1.20 CNNC(=O)Nc1cccc(c1)I 512a_100000211102_100016993582 [0,2,0,0,0,0|2,0,0]=4 7095 B13R1.20 CNNC(=O)Nc1cccc(c1)O 512a_100000210217_100016993582 [0,2,0,0,0,0|2,0,0]=4 7096 B13R1.20 COCC(=O)Cc1cc(ccn1)Br 1458a_100000210968_100010173614 [0,2,0,0,0,0|1,0,0]=3 7097 B13R1.20 COCC(=O)Cc1cc(ccn1)C 1458a_100000210968_100000718516 [0,2,0,0,0,0|1,0,0]=3 7098 B13R1.20 COCC(=O)Cc1cc(ccn1)Cl 1458a_100000210968_100016988179 [0,2,0,0,0,0|1,0,0]=3 7099 B13R1.20 COCC(=O)Cc1cccc(c1)Br 1458a_100000210968_100000211773 [0,2,0,0,0,0|0,0,0]=2 7100 B13R1.20 COCC(=O)Cc1cccc(c1)C 1458a_100000210968_100000211840 [0,2,0,0,0,0|0,0,0]=2 7101 B13R1.20 COCC(=O)Cc1cccc(c1)Cl 1458a_100000210968_100000181238 [0,2,0,0,0,0|0,0,0]=2 7102 B13R1.20 COCC(=O)Cc1cccc(c1)F 1458a_100000210968_100000230114 [0,2,0,0,0,0|0,0,0]=2 7103 B13R1.20 COCC(=O)Cc1cccc(c1)I 1458a_100000210968_100011218688 [0,2,0,0,0,0|0,0,0]=2 7104 B13R1.20 COCC(=O)Cc1cccc(c1)O 1458a_100000210968_100011660834 [0,2,0,0,0,0|0,0,0]=2 7105 B13R1.20 COCC(=O)Cc1cccc(n1)Br 1458a_100000210968_100009889011 [0,2,0,0,0,0|1,0,0]=3 7106 B13R1.20 COCC(=O)Cc1cccc(n1)C 1458a_100000210968_100000757606 [0,2,0,0,0,0|1,0,0]=3 7107 B13R1.20 COCC(=O)Cc1cccc(n1)Cl 1458a_100000210968_100000086093 [0,2,0,0,0,0|1,0,0]=3 7108 B13R1.20 COCC(=O)Cc1cccc(n1)F 1458a_100000210968_100009819644 [0,2,0,0,0,0|1,0,0]=3 7109 B13R1.20 COCC(=O)Cc1ccnc(c1)Br 1458a_100000210968_100010243470 [0,2,0,0,0,0|1,0,0]=3 7110 B13R1.20 COCC(=O)Cc1ccnc(c1)C 1458a_100000210968_200020672517 [0,2,0,0,0,0|1,0,0]=3 7111 B13R1.20 COCC(=O)Cc1ccnc(c1)Cl 1458a_100000210968_100000764220 [0,2,0,0,0,0|1,0,0]=3 7112 B13R1.20 COCC(=O)Cc1ccnc(n1)Cl 1458a_100000210968_100000099655 [0,2,0,0,0,0|2,0,0]=4 7113 B13R1.20 COCC(=O)Cc1cncc(c1)Br 1458a_100000210968_100011740620 [0,2,0,0,0,0|1,0,0]=3 7114 B13R1.20 COCC(=O)Cc1cncc(c1)C 1458a_100000210968_100000716715 [0,2,0,0,0,0|1,0,0]=3 7115 B13R1.20 COCC(=O)Cc1cncc(c1)Cl 1458a_100000210968_100016992070 [0,2,0,0,0,0|1,0,0]=3 7116 B13R1.20 COCC(=O)Cc1cncc(c1)F 1458a_100000210968_100000725299 [0,2,0,0,0,0|1,0,0]=3 7117 B13R1.20 COCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210968 [0,2,0,0,0,0|1,0,0]=3 7118 B13R1.20 COCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210968 [0,2,0,0,0,0|1,0,0]=3 7119 B13R1.20 COCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210968 [0,2,0,0,0,0|1,0,0]=3 7120 B13R1.20 COCC(=O)Nc1cccc(c1)Br 34a_100138415774_100000183509 [0,2,0,0,0,0|1,0,0]=3 7121 B13R1.20 COCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210968 [0,2,0,0,0,0|1,0,0]=3 7122 B13R1.20 COCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210968 [0,2,0,0,0,0|1,0,0]=3 7123 B13R1.20 COCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210968 [0,2,0,0,0,0|1,0,0]=3 7124 B13R1.20 COCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210968 [0,2,0,0,0,0|1,0,0]=3 7125 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100000749660_200000210301 [0,2,0,0,0,0|1,0,0]=3 7126 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100138415774_100000182861 [0,2,0,0,0,0|1,0,0]=3 7127 B13R1.20 COCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210968 [0,2,0,0,0,0|1,0,0]=3 7128 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210968 [0,2,0,0,0,0|1,0,0]=3 7129 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210968 [0,2,0,0,0,0|1,0,0]=3 7130 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210968 [0,2,0,0,0,0|1,0,0]=3 7131 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 34a_100138415774_100000182995 [0,2,0,0,0,0|1,0,0]=3 7132 B13R1.20 COCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210968 [0,2,0,0,0,0|1,0,0]=3 7133 B13R1.20 COCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210968 [0,2,0,0,0,0|1,0,0]=3 7134 B13R1.20 COCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210968 [0,2,0,0,0,0|1,0,0]=3 7135 B13R1.20 COCC(=O)Nc1cccc(c1)F 34a_100138415774_100000183335 [0,2,0,0,0,0|1,0,0]=3 7136 B13R1.20 COCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210968 [0,2,0,0,0,0|1,0,0]=3 7137 B13R1.20 COCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210968 [0,2,0,0,0,0|1,0,0]=3 7138 B13R1.20 COCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210968 [0,2,0,0,0,0|1,0,0]=3 7139 B13R1.20 COCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210968 [0,2,0,0,0,0|1,0,0]=3 7140 B13R1.20 COCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210968 [0,2,0,0,0,0|1,0,0]=3 7141 B13R1.20 COCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210968 [0,2,0,0,0,0|1,0,0]=3 7142 B13R1.20 COCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210968 [0,2,0,0,0,0|1,0,0]=3 7143 B13R1.20 COCC(=O)Nc1cccc(c1)O 271570a_203496583355_100000158352 [0,2,0,0,0,0|1,0,0]=3 7144 B13R1.20 COCC(=O)Nc1cccc(c1)O 34a_100138415774_100011236192 [0,2,0,0,0,0|1,0,0]=3 7145 B13R1.20 COCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210968 [0,2,0,0,0,0|1,0,0]=3 7146 B13R1.20 COCC(=O)Nc1cccc(n1)C 34a_100138415774_103633700106 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|1,0,1]=4 7148 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|1,0,1]=4 7149 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|1,0,1]=4 7150 B13R1.20 COCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000766300 [0,2,0,0,0,0|2,0,0]=4 7151 B13R1.20 COCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000766300 [0,2,0,0,0,0|2,0,0]=4 7152 B13R1.20 COCN(C)Cc1cccc(c1)C 2230a_102495364743_100000766300 [0,2,0,0,0,0|2,0,0]=4 7153 B13R1.20 COCN(C)Cc1cccc(c1)C 269982a_102495364743_100000766300 [0,2,0,0,0,0|2,0,0]=4 7154 B13R1.20 COCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000766300 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.20 COCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000766300 [0,2,0,0,0,0|2,0,0]=4 7156 B13R1.20 COCN(C)Cc1cccc(c1)F 2230a_100000184398_100000766300 [0,2,0,0,0,0|2,0,0]=4 7157 B13R1.20 COCN(C)Cc1cccc(c1)F 269982a_100000184398_100000766300 [0,2,0,0,0,0|2,0,0]=4 7158 B13R1.20 COCN(C)Cc1cccc(c1)O 2230a_100000207540_100000766300 [0,2,0,0,0,0|2,0,0]=4 7159 B13R1.20 COCN(C)Cc1cccc(c1)O 269982a_100000207540_100000766300 [0,2,0,0,0,0|2,0,0]=4 7160 B13R1.20 CSCC(=O)Cc1cc(ccn1)Br 1458a_100000184570_100010173614 [0,2,0,0,0,0|1,1,0]=4 7161 B13R1.20 CSCC(=O)Cc1cc(ccn1)C 1458a_100000184570_100000718516 [0,2,0,0,0,0|1,1,0]=4 7162 B13R1.20 CSCC(=O)Cc1cc(ccn1)Cl 1458a_100000184570_100016988179 [0,2,0,0,0,0|1,1,0]=4 7163 B13R1.20 CSCC(=O)Cc1cccc(c1)Br 1458a_100000184570_100000211773 [0,2,0,0,0,0|0,1,0]=3 7164 B13R1.20 CSCC(=O)Cc1cccc(c1)C 1458a_100000184570_100000211840 [0,2,0,0,0,0|0,1,0]=3 7165 B13R1.20 CSCC(=O)Cc1cccc(c1)Cl 1458a_100000184570_100000181238 [0,2,0,0,0,0|0,1,0]=3 7166 B13R1.20 CSCC(=O)Cc1cccc(c1)F 1458a_100000184570_100000230114 [0,2,0,0,0,0|0,1,0]=3 7167 B13R1.20 CSCC(=O)Cc1cccc(c1)I 1458a_100000184570_100011218688 [0,2,0,0,0,0|0,1,0]=3 7168 B13R1.20 CSCC(=O)Cc1cccc(c1)O 1458a_100000184570_100011660834 [0,2,0,0,0,0|0,1,0]=3 7169 B13R1.20 CSCC(=O)Cc1cccc(n1)Br 1458a_100000184570_100009889011 [0,2,0,0,0,0|1,1,0]=4 7170 B13R1.20 CSCC(=O)Cc1cccc(n1)C 1458a_100000184570_100000757606 [0,2,0,0,0,0|1,1,0]=4 7171 B13R1.20 CSCC(=O)Cc1cccc(n1)Cl 1458a_100000184570_100000086093 [0,2,0,0,0,0|1,1,0]=4 7172 B13R1.20 CSCC(=O)Cc1cccc(n1)F 1458a_100000184570_100009819644 [0,2,0,0,0,0|1,1,0]=4 7173 B13R1.20 CSCC(=O)Cc1ccnc(c1)Br 1458a_100000184570_100010243470 [0,2,0,0,0,0|1,1,0]=4 7174 B13R1.20 CSCC(=O)Cc1ccnc(c1)C 1458a_100000184570_200020672517 [0,2,0,0,0,0|1,1,0]=4 7175 B13R1.20 CSCC(=O)Cc1ccnc(c1)Cl 1458a_100000184570_100000764220 [0,2,0,0,0,0|1,1,0]=4 7176 B13R1.20 CSCC(=O)Cc1cncc(c1)Br 1458a_100000184570_100011740620 [0,2,0,0,0,0|1,1,0]=4 7177 B13R1.20 CSCC(=O)Cc1cncc(c1)C 1458a_100000184570_100000716715 [0,2,0,0,0,0|1,1,0]=4 7178 B13R1.20 CSCC(=O)Cc1cncc(c1)Cl 1458a_100000184570_100016992070 [0,2,0,0,0,0|1,1,0]=4 7179 B13R1.20 CSCC(=O)Cc1cncc(c1)F 1458a_100000184570_100000725299 [0,2,0,0,0,0|1,1,0]=4 7180 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000184570 [0,2,0,0,0,0|1,1,0]=4 7181 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000184570 [0,2,0,0,0,0|1,1,0]=4 7182 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000184570 [0,2,0,0,0,0|1,1,0]=4 7183 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000184570 [0,2,0,0,0,0|1,1,0]=4 7184 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 62a_100000183509_200000210301 [0,2,0,0,0,0|1,1,0]=4 7185 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 62a_200000210301_100000183509 [0,2,0,0,0,0|1,1,0]=4 7186 B13R1.20 CSCC(=O)Nc1cccc(c1)C 11a_100000188690_100000184570 [0,2,0,0,0,0|1,1,0]=4 7187 B13R1.20 CSCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000184570 [0,2,0,0,0,0|1,1,0]=4 7188 B13R1.20 CSCC(=O)Nc1cccc(c1)C 22a_100000188690_100000184570 [0,2,0,0,0,0|1,1,0]=4 7189 B13R1.20 CSCC(=O)Nc1cccc(c1)C 527a_100000188690_100000184570 [0,2,0,0,0,0|1,1,0]=4 7190 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_100000243722_200000210301 [0,2,0,0,0,0|1,1,0]=4 7191 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_200000210301_100000182861 [0,2,0,0,0,0|1,1,0]=4 7192 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000184570 [0,2,0,0,0,0|1,1,0]=4 7193 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000184570 [0,2,0,0,0,0|1,1,0]=4 7194 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000184570 [0,2,0,0,0,0|1,1,0]=4 7195 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 62a_200000210301_100000182995 [0,2,0,0,0,0|1,1,0]=4 7196 B13R1.20 CSCC(=O)Nc1cccc(c1)F 11a_100000210047_100000184570 [0,2,0,0,0,0|1,1,0]=4 7197 B13R1.20 CSCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000184570 [0,2,0,0,0,0|1,1,0]=4 7198 B13R1.20 CSCC(=O)Nc1cccc(c1)F 22a_100000210047_100000184570 [0,2,0,0,0,0|1,1,0]=4 7199 B13R1.20 CSCC(=O)Nc1cccc(c1)F 527a_100000210047_100000184570 [0,2,0,0,0,0|1,1,0]=4 7200 B13R1.20 CSCC(=O)Nc1cccc(c1)F 62a_100000183335_200000210301 [0,2,0,0,0,0|1,1,0]=4 7201 B13R1.20 CSCC(=O)Nc1cccc(c1)F 62a_200000210301_100000183335 [0,2,0,0,0,0|1,1,0]=4 7202 B13R1.20 CSCC(=O)Nc1cccc(c1)I 11a_100000211102_100000184570 [0,2,0,0,0,0|1,1,0]=4 7203 B13R1.20 CSCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000184570 [0,2,0,0,0,0|1,1,0]=4 7204 B13R1.20 CSCC(=O)Nc1cccc(c1)I 22a_100000211102_100000184570 [0,2,0,0,0,0|1,1,0]=4 7205 B13R1.20 CSCC(=O)Nc1cccc(c1)I 527a_100000211102_100000184570 [0,2,0,0,0,0|1,1,0]=4 7206 B13R1.20 CSCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000184570 [0,2,0,0,0,0|1,1,0]=4 7207 B13R1.20 CSCC(=O)Nc1cccc(c1)O 22a_100000210217_100000184570 [0,2,0,0,0,0|1,1,0]=4 7208 B13R1.20 CSCC(=O)Nc1cccc(c1)O 527a_100000210217_100000184570 [0,2,0,0,0,0|1,1,0]=4 7209 B13R1.20 CSCC(=O)Nc1cccc(c1)O 62a_200000210301_100011236192 [0,2,0,0,0,0|1,1,0]=4 7210 B13R1.20 Cc1cc(ccn1)CC(=O)CCO 1458a_100011216618_200020672517 [0,2,0,0,0,0|2,0,0]=4 7211 B13R1.20 Cc1cccc(c1)CC(=O)C=CBr 1458a_100016273825_100000211840 [0,2,0,0,0,0|1,0,1]=4 7212 B13R1.20 Cc1cccc(c1)CC(=O)C=CCl 1458a_200016279998_100000211840 [0,2,0,0,0,0|1,0,1]=4 7213 B13R1.20 Cc1cccc(c1)CC(=O)C=CI 1458a_100016256311_100000211840 [0,2,0,0,0,0|1,0,1]=4 7214 B13R1.20 Cc1cccc(c1)CC(=O)CC#N 1458a_100011206899_100011214920 [0,2,0,0,0,0|1,0,1]=4 7215 B13R1.20 Cc1cccc(c1)CC(=O)CC#N 1458a_100051588842_100000211840 [0,2,0,0,0,0|1,0,1]=4 7216 B13R1.20 Cc1cccc(c1)CC(=O)CCF 1458a_100011206899_100011217306 [0,2,0,0,0,0|1,0,0]=3 7217 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011206899_100000211926 [0,2,0,0,0,0|1,0,0]=3 7218 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211840 [0,2,0,0,0,0|1,0,0]=3 7219 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|1,0,1]=4 7220 B13R1.20 Cc1cccc(c1)NC(=O)CCO 22a_100000188690_100011216618 [0,2,0,0,0,0|2,0,0]=4 7221 B13R1.20 Cc1cccc(c1)NC(=O)CO[13CH3] 34a_100000749660_200025704644 [0,2,0,0,0,0|1,0,0]=3 7222 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_100000243722_200025704644 [0,2,0,0,0,0|1,1,0]=4 7223 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_200025704644_100000182861 [0,2,0,0,0,0|1,1,0]=4 7224 B13R1.20 Cc1cccc(n1)CC(=O)CCF 1458a_100012001110_100011217306 [0,2,0,0,0,0|2,0,0]=4 7225 B13R1.20 Cc1cccc(n1)CC(=O)CCO 1458a_100011216618_100000757606 [0,2,0,0,0,0|2,0,0]=4 7226 B13R1.20 Cc1cccc(n1)CC(=O)CCO 1458a_100012001110_100000211926 [0,2,0,0,0,0|2,0,0]=4 7227 B13R1.20 Cc1ccnc(c1)CC(=O)CCO 1458a_100011216618_100000718516 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.20 Cc1cncc(c1)CC(=O)CCO 1458a_100011216618_100000716715 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.20 N#CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100011214920 [0,2,0,0,0,0|1,0,1]=4 7230 B13R1.20 N#CCC(=O)Cc1cccc(c1)Br 1458a_100051588842_100000211773 [0,2,0,0,0,0|1,0,1]=4 7231 B13R1.20 N#CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100011214920 [0,2,0,0,0,0|1,0,1]=4 7232 B13R1.20 N#CCC(=O)Cc1cccc(c1)Cl 1458a_100051588842_100000181238 [0,2,0,0,0,0|1,0,1]=4 7233 B13R1.20 N#CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100011214920 [0,2,0,0,0,0|1,0,1]=4 7234 B13R1.20 N#CCC(=O)Cc1cccc(c1)F 1458a_100051588842_100000230114 [0,2,0,0,0,0|1,0,1]=4 7235 B13R1.20 N#CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100011214920 [0,2,0,0,0,0|1,0,1]=4 7236 B13R1.20 N#CCC(=O)Cc1cccc(c1)I 1458a_100051588842_100011218688 [0,2,0,0,0,0|1,0,1]=4 7237 B13R1.20 N#CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100011214920 [0,2,0,0,0,0|1,0,1]=4 7238 B13R1.20 N#CCC(=O)Cc1cccc(c1)O 1458a_100051588842_100011660834 [0,2,0,0,0,0|1,0,1]=4 7239 B13R1.20 O=C(C=CBr)Cc1cccc(c1)Br 1458a_100016273825_100000211773 [0,2,0,0,0,0|1,0,1]=4 7240 B13R1.20 O=C(C=CBr)Cc1cccc(c1)Cl 1458a_100016273825_100000181238 [0,2,0,0,0,0|1,0,1]=4 7241 B13R1.20 O=C(C=CBr)Cc1cccc(c1)F 1458a_100016273825_100000230114 [0,2,0,0,0,0|1,0,1]=4 7242 B13R1.20 O=C(C=CBr)Cc1cccc(c1)I 1458a_100016273825_100011218688 [0,2,0,0,0,0|1,0,1]=4 7243 B13R1.20 O=C(C=CBr)Cc1cccc(c1)O 1458a_100016273825_100011660834 [0,2,0,0,0,0|1,0,1]=4 7244 B13R1.20 O=C(C=CCl)Cc1cccc(c1)Br 1458a_200016279998_100000211773 [0,2,0,0,0,0|1,0,1]=4 7245 B13R1.20 O=C(C=CCl)Cc1cccc(c1)Cl 1458a_200016279998_100000181238 [0,2,0,0,0,0|1,0,1]=4 7246 B13R1.20 O=C(C=CCl)Cc1cccc(c1)F 1458a_200016279998_100000230114 [0,2,0,0,0,0|1,0,1]=4 7247 B13R1.20 O=C(C=CCl)Cc1cccc(c1)I 1458a_200016279998_100011218688 [0,2,0,0,0,0|1,0,1]=4 7248 B13R1.20 O=C(C=CCl)Cc1cccc(c1)O 1458a_200016279998_100011660834 [0,2,0,0,0,0|1,0,1]=4 7249 B13R1.20 O=C(C=CI)Cc1cccc(c1)Br 1458a_100016256311_100000211773 [0,2,0,0,0,0|1,0,1]=4 7250 B13R1.20 O=C(C=CI)Cc1cccc(c1)Cl 1458a_100016256311_100000181238 [0,2,0,0,0,0|1,0,1]=4 7251 B13R1.20 O=C(C=CI)Cc1cccc(c1)F 1458a_100016256311_100000230114 [0,2,0,0,0,0|1,0,1]=4 7252 B13R1.20 O=C(C=CI)Cc1cccc(c1)I 1458a_100016256311_100011218688 [0,2,0,0,0,0|1,0,1]=4 7253 B13R1.20 O=C(C=CI)Cc1cccc(c1)O 1458a_100016256311_100011660834 [0,2,0,0,0,0|1,0,1]=4 7254 B13R1.20 O=C(CCF)Cc1cccc(c1)Br 1458a_100000747190_100011217306 [0,2,0,0,0,0|1,0,0]=3 7255 B13R1.20 O=C(CCF)Cc1cccc(c1)Cl 1458a_100000749307_100011217306 [0,2,0,0,0,0|1,0,0]=3 7256 B13R1.20 O=C(CCF)Cc1cccc(c1)F 1458a_100000211661_100011217306 [0,2,0,0,0,0|1,0,0]=3 7257 B13R1.20 O=C(CCF)Cc1cccc(c1)I 1458a_100000238430_100011217306 [0,2,0,0,0,0|1,0,0]=3 7258 B13R1.20 O=C(CCF)Cc1cccc(c1)O 1458a_100000745134_100011217306 [0,2,0,0,0,0|1,0,0]=3 7259 B13R1.20 O=C(CCF)Cc1cccc(n1)Br 1458a_100010201708_100011217306 [0,2,0,0,0,0|2,0,0]=4 7260 B13R1.20 O=C(CCF)Cc1cccc(n1)Cl 1458a_100000090259_100011217306 [0,2,0,0,0,0|2,0,0]=4 7261 B13R1.20 O=C(CCF)Cc1cccc(n1)F 1458a_100000096803_100011217306 [0,2,0,0,0,0|2,0,0]=4 7262 B13R1.20 O=C(CCF)Cc1ccnc(c1)Br 1458a_100010126891_100011217306 [0,2,0,0,0,0|2,0,0]=4 7263 B13R1.20 O=C(CCF)Cc1cncc(c1)Br 1458a_100000239331_100011217306 [0,2,0,0,0,0|2,0,0]=4 7264 B13R1.20 O=C(CCF)Cc1cncc(c1)F 1458a_100011667516_100011217306 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.20 O=C(CCO)Cc1cc(ccn1)Br 1458a_100011216618_100010173614 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.20 O=C(CCO)Cc1cc(ccn1)Cl 1458a_100011216618_100016988179 [0,2,0,0,0,0|2,0,0]=4 7267 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100000747190_100000211926 [0,2,0,0,0,0|1,0,0]=3 7268 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100011216618_100000211773 [0,2,0,0,0,0|1,0,0]=3 7269 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100000749307_100000211926 [0,2,0,0,0,0|1,0,0]=3 7270 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100011216618_100000181238 [0,2,0,0,0,0|1,0,0]=3 7271 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100000211661_100000211926 [0,2,0,0,0,0|1,0,0]=3 7272 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100011216618_100000230114 [0,2,0,0,0,0|1,0,0]=3 7273 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100000238430_100000211926 [0,2,0,0,0,0|1,0,0]=3 7274 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100011216618_100011218688 [0,2,0,0,0,0|1,0,0]=3 7275 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100000745134_100000211926 [0,2,0,0,0,0|1,0,0]=3 7276 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100011216618_100011660834 [0,2,0,0,0,0|1,0,0]=3 7277 B13R1.20 O=C(CCO)Cc1cccc(n1)Br 1458a_100010201708_100000211926 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.20 O=C(CCO)Cc1cccc(n1)Br 1458a_100011216618_100009889011 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.20 O=C(CCO)Cc1cccc(n1)Cl 1458a_100000090259_100000211926 [0,2,0,0,0,0|2,0,0]=4 7280 B13R1.20 O=C(CCO)Cc1cccc(n1)Cl 1458a_100011216618_100000086093 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.20 O=C(CCO)Cc1cccc(n1)F 1458a_100000096803_100000211926 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.20 O=C(CCO)Cc1cccc(n1)F 1458a_100011216618_100009819644 [0,2,0,0,0,0|2,0,0]=4 7283 B13R1.20 O=C(CCO)Cc1ccnc(c1)Br 1458a_100010126891_100000211926 [0,2,0,0,0,0|2,0,0]=4 7284 B13R1.20 O=C(CCO)Cc1ccnc(c1)Br 1458a_100011216618_100010243470 [0,2,0,0,0,0|2,0,0]=4 7285 B13R1.20 O=C(CCO)Cc1ccnc(c1)Cl 1458a_100011216618_100000764220 [0,2,0,0,0,0|2,0,0]=4 7286 B13R1.20 O=C(CCO)Cc1cncc(c1)Br 1458a_100000239331_100000211926 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.20 O=C(CCO)Cc1cncc(c1)Br 1458a_100011216618_100011740620 [0,2,0,0,0,0|2,0,0]=4 7288 B13R1.20 O=C(CCO)Cc1cncc(c1)Cl 1458a_100011216618_100016992070 [0,2,0,0,0,0|2,0,0]=4 7289 B13R1.20 O=C(CCO)Cc1cncc(c1)F 1458a_100011216618_100000725299 [0,2,0,0,0,0|2,0,0]=4 7290 B13R1.20 O=C(CCO)Cc1cncc(c1)F 1458a_100011667516_100000211926 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.20 O=C(CCO)Nc1cccc(c1)Br 22a_100000210019_100011216618 [0,2,0,0,0,0|2,0,0]=4 7292 B13R1.20 O=C(CCO)Nc1cccc(c1)Cl 22a_100000185859_100011216618 [0,2,0,0,0,0|2,0,0]=4 7293 B13R1.20 O=C(CCO)Nc1cccc(c1)F 22a_100000210047_100011216618 [0,2,0,0,0,0|2,0,0]=4 7294 B13R1.20 O=C(CCO)Nc1cccc(c1)I 22a_100000211102_100011216618 [0,2,0,0,0,0|2,0,0]=4 7295 B13R1.20 O=C(CCO)Nc1cccc(c1)O 22a_100000210217_100011216618 [0,2,0,0,0,0|2,0,0]=4 7296 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200025704644 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 2230a_100000168492_200025704644 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 34a_100000168492_200025704644 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|1,0,1]=4 7300 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|1,0,1]=4 7301 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Br 62a_100000183509_200025704644 [0,2,0,0,0,0|1,1,0]=4 7302 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Br 62a_200025704644_100000183509 [0,2,0,0,0,0|1,1,0]=4 7303 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Cl 62a_200025704644_100000182995 [0,2,0,0,0,0|1,1,0]=4 7304 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)F 62a_100000183335_200025704644 [0,2,0,0,0,0|1,1,0]=4 7305 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)F 62a_200025704644_100000183335 [0,2,0,0,0,0|1,1,0]=4 7306 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)O 62a_200025704644_100011236192 [0,2,0,0,0,0|1,1,0]=4 7307 B13R1.44 C#CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000753159 [0,2,0,0,0,0|2,0,0]=4 7308 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [0,2,0,0,0,0|1,0,0]=3 7309 B13R1.44 C#CCCC(=O)Cc1ccccn1 1458a_100000233486_100000753159 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.44 C#CCCC(=O)Cc1ccccn1 1458a_100000692101_100000721315 [0,2,0,0,0,0|2,0,0]=4 7311 B13R1.44 C#CCCC(=O)Cc1cccnc1 1458a_100000692101_100000733263 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.44 C#CCCC(=O)Cc1cccnc1 1458a_100000737805_100000753159 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.44 C#CCCC(=O)Cc1ccncc1 1458a_100000692101_100000705612 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.44 C#CCCC(=O)Nc1ccccc1 11a_100000106764_100000692101 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.44 C#CCCC(=O)Nc1ccccc1 1626a_100000106764_100000692101 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.44 C#CCCC(=O)Nc1ccccc1 22a_100000106764_100000692101 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.44 C#CCCC(=O)Nc1ccccc1 527a_100000106764_100000692101 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.44 C#CCNC(=O)C[n+]1ccccc1 11a_100000212058_200000086051 [0,2,0,0,0,0|2,0,0]=4 7319 B13R1.44 C#CCNC(=O)C[n+]1ccccc1 240690a_100000212058_200000086051 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.44 C#CCNC(=O)C[n+]1ccccc1 527a_100000212058_200000086051 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.44 C#CCNC(=O)Cc1ccccn1 11a_100000212058_100000233486 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.44 C#CCNC(=O)Cc1cccnc1 11a_100000212058_100000737805 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.44 C#CCNC(=O)Cc1cccnc1 240690a_100000212058_100000737805 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.44 C#CCNC(=O)Cc1cccnc1 527a_100000212058_100000737805 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.44 C#CCNC(=O)Cc1ccncc1 11a_100000212058_100011201483 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.44 C#CCNC(=O)Cc1ccncc1 240690a_100000212058_100011201483 [0,2,0,0,0,0|2,0,0]=4 7327 B13R1.44 C#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000212058 [0,2,0,0,0,0|2,0,0]=4 7328 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,2,0,0,0,0|1,0,1]=4 7329 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,2,0,0,0,0|1,0,1]=4 7330 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,2,0,0,0,0|1,0,1]=4 7331 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [0,2,0,0,0,0|1,0,1]=4 7332 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [0,2,0,0,0,0|1,0,1]=4 7333 B13R1.44 C/C=C/CC(=O)C[n+]1ccccc1 1458a_200000086051_100102629194 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.44 C/C=C/CC(=O)Cc1ccccn1 1458a_100000233486_100102629194 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.44 C/C=C/CC(=O)Cc1cccnc1 1458a_100000737805_100102629194 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [0,2,0,0,0,0|1,0,1]=4 7337 B13R1.44 C=CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000754431 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,2,0,0,0,0|1,0,0]=3 7339 B13R1.44 C=CCCC(=O)Cc1ccccn1 1458a_100000233486_100000754431 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.44 C=CCCC(=O)Cc1ccccn1 1458a_100000749702_100000721315 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.44 C=CCCC(=O)Cc1cccnc1 1458a_100000737805_100000754431 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.44 C=CCCC(=O)Cc1cccnc1 1458a_100000749702_100000733263 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.44 C=CCCC(=O)Cc1ccncc1 1458a_100000749702_100000705612 [0,2,0,0,0,0|2,0,0]=4 7344 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,2,0,0,0,0|2,0,0]=4 7345 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,2,0,0,0,0|2,0,0]=4 7347 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,2,0,0,0,0|2,0,0]=4 7348 B13R1.44 C=CCNC(=O)C[n+]1ccccc1 240690a_100020586998_200000086051 [0,2,0,0,0,0|2,0,0]=4 7349 B13R1.44 C=CCNC(=O)C[n+]1ccccc1 527a_100020586998_200000086051 [0,2,0,0,0,0|2,0,0]=4 7350 B13R1.44 C=CCNC(=O)Cc1cccnc1 240690a_100020586998_100000737805 [0,2,0,0,0,0|2,0,0]=4 7351 B13R1.44 C=CCNC(=O)Cc1cccnc1 527a_100020586998_100000737805 [0,2,0,0,0,0|2,0,0]=4 7352 B13R1.44 C=CCNC(=O)Cc1ccncc1 240690a_100020586998_100011201483 [0,2,0,0,0,0|2,0,0]=4 7353 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,2,0,0,0,0|2,0,0]=4 7354 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,2,0,0,0,0|1,0,1]=4 7355 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,2,0,0,0,0|1,0,1]=4 7356 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,2,0,0,0,0|1,0,1]=4 7357 B13R1.44 CC#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000748600 [0,2,0,0,0,0|2,0,0]=4 7358 B13R1.44 CC#CCC(=O)Cc1ccccn1 1458a_100000233486_100000748600 [0,2,0,0,0,0|2,0,0]=4 7359 B13R1.44 CC#CCC(=O)Cc1cccnc1 1458a_100000737805_100000748600 [0,2,0,0,0,0|2,0,0]=4 7360 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,2,0,0,0,0|1,0,1]=4 7361 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,2,0,0,0,0|1,0,1]=4 7362 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,2,0,0,0,0|1,0,1]=4 7363 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,2,0,0,0,0|1,0,1]=4 7364 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,2,0,0,0,0|1,0,1]=4 7365 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,2,0,0,0,0|1,0,1]=4 7366 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,2,0,0,0,0|1,0,1]=4 7367 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,2,0,0,0,0|1,0,1]=4 7368 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,2,0,0,0,0|1,0,1]=4 7369 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,2,0,0,0,0|1,0,1]=4 7370 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,2,0,0,0,0|1,0,1]=4 7371 B13R1.44 CC=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000070051 [0,2,0,0,0,0|2,0,0]=4 7372 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,2,0,0,0,0|1,0,0]=3 7373 B13R1.44 CC=CCC(=O)Cc1ccccn1 1458a_100000233486_100000070051 [0,2,0,0,0,0|2,0,0]=4 7374 B13R1.44 CC=CCC(=O)Cc1ccccn1 1458a_100121576822_100000721315 [0,2,0,0,0,0|2,0,0]=4 7375 B13R1.44 CC=CCC(=O)Cc1cccnc1 1458a_100000737805_100000070051 [0,2,0,0,0,0|2,0,0]=4 7376 B13R1.44 CC=CCC(=O)Cc1cccnc1 1458a_100121576822_100000733263 [0,2,0,0,0,0|2,0,0]=4 7377 B13R1.44 CC=CCC(=O)Cc1ccncc1 1458a_100121576822_100000705612 [0,2,0,0,0,0|2,0,0]=4 7378 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,2,0,0,0,0|2,0,0]=4 7382 B13R1.44 CC=NNC(=O)C[n+]1ccccc1 4a_100000199085_200000210099 [0,2,0,0,0,0|2,0,0]=4 7383 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [0,2,0,0,0,0|1,0,0]=3 7384 B13R1.44 CC=NNC(=O)Cc1ccccn1 4a_200000059813_200000210099 [0,2,0,0,0,0|2,0,0]=4 7385 B13R1.44 CC=NNC(=O)Cc1ccncc1 4a_100000766356_200000210099 [0,2,0,0,0,0|2,0,0]=4 7386 B13R1.44 CCC#CC(=O)Cc1ccccc1 1458a_100011827653_100015291786 [0,2,0,0,0,0|1,0,0]=3 7387 B13R1.44 CCC#CC(=O)Cc1ccccn1 1458a_100011827653_100000721315 [0,2,0,0,0,0|2,0,0]=4 7388 B13R1.44 CCC#CC(=O)Cc1cccnc1 1458a_100011827653_100000733263 [0,2,0,0,0,0|2,0,0]=4 7389 B13R1.44 CCC#CC(=O)Cc1ccncc1 1458a_100011827653_100000705612 [0,2,0,0,0,0|2,0,0]=4 7390 B13R1.44 CCC#CC(=O)Nc1ccccc1 22a_100000106764_100011827653 [0,2,0,0,0,0|2,0,0]=4 7391 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [0,2,0,0,0,0|1,0,0]=3 7392 B13R1.44 CCC=CC(=O)Cc1ccccn1 1458a_100000212282_100000721315 [0,2,0,0,0,0|2,0,0]=4 7393 B13R1.44 CCC=CC(=O)Cc1cccnc1 1458a_100000212282_100000733263 [0,2,0,0,0,0|2,0,0]=4 7394 B13R1.44 CCC=CC(=O)Cc1ccncc1 1458a_100000212282_100000705612 [0,2,0,0,0,0|2,0,0]=4 7395 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [0,2,0,0,0,0|2,0,0]=4 7396 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [0,2,0,0,0,0|2,0,0]=4 7397 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [0,2,0,0,0,0|2,0,0]=4 7398 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,2,0,0,0,0|2,0,0]=4 7399 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,2,0,0,0,0|1,0,0]=3 7400 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,2,0,0,0,0|2,0,0]=4 7401 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,2,0,0,0,0|2,0,0]=4 7402 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,2,0,0,0,0|2,0,0]=4 7403 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,2,0,0,0,0|2,0,0]=4 7404 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,2,0,0,0,0|2,0,0]=4 7405 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,2,0,0,0,0|2,0,0]=4 7406 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.44 CCCNC(=O)C[n+]1ccccc1 11a_100020643023_200000086051 [0,2,0,0,0,0|2,0,0]=4 7410 B13R1.44 CCCNC(=O)C[n+]1ccccc1 240690a_100020643023_200000086051 [0,2,0,0,0,0|2,0,0]=4 7411 B13R1.44 CCCNC(=O)C[n+]1ccccc1 527a_100020643023_200000086051 [0,2,0,0,0,0|2,0,0]=4 7412 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [0,2,0,0,0,0|2,0,0]=4 7413 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [0,2,0,0,0,0|2,0,0]=4 7414 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [0,2,0,0,0,0|2,0,0]=4 7415 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [0,2,0,0,0,0|2,0,0]=4 7416 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [0,2,0,0,0,0|2,0,0]=4 7417 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [0,2,0,0,0,0|2,0,0]=4 7418 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [0,2,0,0,0,0|2,0,0]=4 7419 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,2,0,0,0,0|1,0,1]=4 7420 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,2,0,0,0,0|1,0,1]=4 7421 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,2,0,0,0,0|1,0,1]=4 7422 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,2,0,0,0,0|1,0,0]=3 7423 B13R1.44 CCNCC(=O)Nc1ccccc1 2230a_100015525214_100000182850 [0,2,0,0,0,0|2,0,0]=4 7424 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [0,2,0,0,0,0|2,0,0]=4 7425 B13R1.44 CCNNC(=O)C[n+]1ccccc1 22a_100000756455_200000086051 [0,2,0,0,0,0|2,0,0]=4 7426 B13R1.44 CCNNC(=O)Cc1ccccn1 22a_100000756455_100000233486 [0,2,0,0,0,0|2,0,0]=4 7427 B13R1.44 CCNNC(=O)Cc1cccnc1 22a_100000756455_100000737805 [0,2,0,0,0,0|2,0,0]=4 7428 B13R1.44 CCNNC(=O)Cc1ccncc1 22a_100000756455_100011201483 [0,2,0,0,0,0|2,0,0]=4 7429 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [0,2,0,0,0,0|1,0,1]=4 7430 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [0,2,0,0,0,0|1,0,1]=4 7431 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,2,0,0,0,0|0,0,0]=2 7432 B13R1.44 CCOCC(=O)Cc1ccccn1 1458a_100000211967_100000721315 [0,2,0,0,0,0|1,0,0]=3 7433 B13R1.44 CCOCC(=O)Cc1cccnc1 1458a_100000211967_100000733263 [0,2,0,0,0,0|1,0,0]=3 7434 B13R1.44 CCOCC(=O)Cc1cccnn1 1458a_100000211967_100016990269 [0,2,0,0,0,0|2,0,0]=4 7435 B13R1.44 CCOCC(=O)Cc1ccncc1 1458a_100000211967_100000705612 [0,2,0,0,0,0|1,0,0]=3 7436 B13R1.44 CCOCC(=O)Cc1cnccn1 1458a_100000211967_100016995436 [0,2,0,0,0,0|2,0,0]=4 7437 B13R1.44 CCOCC(=O)Cc1cncnc1 1458a_100000211967_100015196519 [0,2,0,0,0,0|2,0,0]=4 7438 B13R1.44 CCOCC(=O)Cc1ncccn1 1458a_100000211967_100000703007 [0,2,0,0,0,0|2,0,0]=4 7439 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [0,2,0,0,0,0|1,0,0]=3 7440 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [0,2,0,0,0,0|1,0,0]=3 7441 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [0,2,0,0,0,0|1,0,0]=3 7442 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [0,2,0,0,0,0|1,0,0]=3 7443 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [0,2,0,0,0,0|1,0,0]=3 7444 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [0,2,0,0,0,0|1,0,0]=3 7445 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [0,2,0,0,0,0|1,0,0]=3 7446 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,2,0,0,0,0|1,0,1]=4 7447 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,2,0,0,0,0|1,0,1]=4 7448 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,2,0,0,0,0|1,0,1]=4 7449 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,2,0,0,0,0|2,0,0]=4 7450 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,2,0,0,0,0|0,0,2]=4 7451 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,2,0,0,0,0|0,1,0]=3 7452 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,2,0,0,0,0|0,1,0]=3 7453 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,2,0,0,0,0|0,1,0]=3 7454 B13R1.44 CCSCC(=O)Cc1ccccn1 1458a_100000230394_100000721315 [0,2,0,0,0,0|1,1,0]=4 7455 B13R1.44 CCSCC(=O)Cc1cccnc1 1458a_100000230394_100000733263 [0,2,0,0,0,0|1,1,0]=4 7456 B13R1.44 CCSCC(=O)Cc1ccncc1 1458a_100000230394_100000705612 [0,2,0,0,0,0|1,1,0]=4 7457 B13R1.44 CCSCC(=O)Nc1ccccc1 11a_100000106764_100000230394 [0,2,0,0,0,0|1,1,0]=4 7458 B13R1.44 CCSCC(=O)Nc1ccccc1 1626a_100000106764_100000230394 [0,2,0,0,0,0|1,1,0]=4 7459 B13R1.44 CCSCC(=O)Nc1ccccc1 22a_100000106764_100000230394 [0,2,0,0,0,0|1,1,0]=4 7460 B13R1.44 CCSCC(=O)Nc1ccccc1 527a_100000106764_100000230394 [0,2,0,0,0,0|1,1,0]=4 7461 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100000210202_100000182850 [0,2,0,0,0,0|1,1,0]=4 7462 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210202 [0,2,0,0,0,0|1,1,0]=4 7463 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100000210202_100009813826 [0,2,0,0,0,0|1,1,0]=4 7464 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210202 [0,2,0,0,0,0|1,1,0]=4 7465 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [0,2,0,0,0,0|2,0,0]=4 7466 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [0,2,0,0,0,0|2,0,0]=4 7467 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [0,2,0,0,0,0|2,0,0]=4 7468 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,2,0,0,0,0|2,0,0]=4 7469 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,2,0,0,0,0|2,0,0]=4 7470 B13R1.44 COC=CC(=O)Cc1ccccc1 1458a_100016268678_100015291786 [0,2,0,0,0,0|0,0,0]=2 7471 B13R1.44 COC=CC(=O)Cc1ccccn1 1458a_100016268678_100000721315 [0,2,0,0,0,0|1,0,0]=3 7472 B13R1.44 COC=CC(=O)Cc1cccnc1 1458a_100016268678_100000733263 [0,2,0,0,0,0|1,0,0]=3 7473 B13R1.44 COC=CC(=O)Cc1cccnn1 1458a_100016268678_100016990269 [0,2,0,0,0,0|2,0,0]=4 7474 B13R1.44 COC=CC(=O)Cc1ccncc1 1458a_100016268678_100000705612 [0,2,0,0,0,0|1,0,0]=3 7475 B13R1.44 COC=CC(=O)Cc1cnccn1 1458a_100016268678_100016995436 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.44 COC=CC(=O)Cc1cncnc1 1458a_100016268678_100015196519 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.44 COC=CC(=O)Cc1ncccn1 1458a_100016268678_100000703007 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [0,2,0,0,0,0|1,0,0]=3 7479 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [0,2,0,0,0,0|1,0,0]=3 7480 B13R1.44 COCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000233755 [0,2,0,0,0,0|1,0,0]=3 7481 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,2,0,0,0,0|0,0,0]=2 7482 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000233486_100000233755 [0,2,0,0,0,0|1,0,0]=3 7483 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000749529_100000721315 [0,2,0,0,0,0|1,0,0]=3 7484 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000737805_100000233755 [0,2,0,0,0,0|1,0,0]=3 7485 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000749529_100000733263 [0,2,0,0,0,0|1,0,0]=3 7486 B13R1.44 COCCC(=O)Cc1cccnn1 1458a_100000749529_100016990269 [0,2,0,0,0,0|2,0,0]=4 7487 B13R1.44 COCCC(=O)Cc1ccncc1 1458a_100000749529_100000705612 [0,2,0,0,0,0|1,0,0]=3 7488 B13R1.44 COCCC(=O)Cc1cnccn1 1458a_100000749529_100016995436 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.44 COCCC(=O)Cc1cncnc1 1458a_100000721575_100000233755 [0,2,0,0,0,0|2,0,0]=4 7490 B13R1.44 COCCC(=O)Cc1cncnc1 1458a_100000749529_100015196519 [0,2,0,0,0,0|2,0,0]=4 7491 B13R1.44 COCCC(=O)Cc1ncccn1 1458a_100000749529_100000703007 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.44 COCCC(=O)Nc1ccccc1 11a_100000106764_100000749529 [0,2,0,0,0,0|1,0,0]=3 7493 B13R1.44 COCCC(=O)Nc1ccccc1 1626a_100000106764_100000749529 [0,2,0,0,0,0|1,0,0]=3 7494 B13R1.44 COCCC(=O)Nc1ccccc1 22a_100000106764_100000749529 [0,2,0,0,0,0|1,0,0]=3 7495 B13R1.44 COCCC(=O)Nc1ccccc1 34a_100138415774_100000242058 [0,2,0,0,0,0|1,0,0]=3 7496 B13R1.44 COCCC(=O)Nc1ccccc1 527a_100000106764_100000749529 [0,2,0,0,0,0|1,0,0]=3 7497 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,2,0,0,0,0|2,0,0]=4 7499 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,2,0,0,0,0|2,0,0]=4 7501 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,2,0,0,0,0|2,0,0]=4 7502 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,2,0,0,0,0|1,0,1]=4 7504 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,2,0,0,0,0|1,0,1]=4 7505 B13R1.44 CSCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000751147 [0,2,0,0,0,0|1,1,0]=4 7506 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,2,0,0,0,0|0,1,0]=3 7507 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000174002_100000721315 [0,2,0,0,0,0|1,1,0]=4 7508 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000233486_100000751147 [0,2,0,0,0,0|1,1,0]=4 7509 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000174002_100000733263 [0,2,0,0,0,0|1,1,0]=4 7510 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000737805_100000751147 [0,2,0,0,0,0|1,1,0]=4 7511 B13R1.44 CSCCC(=O)Cc1ccncc1 1458a_100000174002_100000705612 [0,2,0,0,0,0|1,1,0]=4 7512 B13R1.44 CSCCC(=O)Nc1ccccc1 11a_100000106764_100000174002 [0,2,0,0,0,0|1,1,0]=4 7513 B13R1.44 CSCCC(=O)Nc1ccccc1 1626a_100000106764_100000174002 [0,2,0,0,0,0|1,1,0]=4 7514 B13R1.44 CSCCC(=O)Nc1ccccc1 22a_100000106764_100000174002 [0,2,0,0,0,0|1,1,0]=4 7515 B13R1.44 CSCCC(=O)Nc1ccccc1 527a_100000106764_100000174002 [0,2,0,0,0,0|1,1,0]=4 7516 B13R1.44 CSCCC(=O)Nc1ccccc1 62a_200000210301_100000242058 [0,2,0,0,0,0|1,1,0]=4 7517 B13R1.44 CSCCC(=O)Oc1ccccc1 62a_200000210301_200000035796 [0,2,0,0,0,0|1,1,0]=4 7518 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,2,0,0,0,0|1,0,1]=4 7519 B13R1.44 N#CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011215226 [0,2,0,0,0,0|2,0,0]=4 7520 B13R1.44 N#CCCC(=O)Cc1ccccc1 1458a_100011934036_100015291786 [0,2,0,0,0,0|1,0,0]=3 7521 B13R1.44 N#CCCC(=O)Cc1ccccn1 1458a_100000233486_100011215226 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.44 N#CCCC(=O)Cc1ccccn1 1458a_100011934036_100000721315 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.44 N#CCCC(=O)Cc1cccnc1 1458a_100000737805_100011215226 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.44 N#CCCC(=O)Cc1cccnc1 1458a_100011934036_100000733263 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.44 N#CCCC(=O)Cc1ccncc1 1458a_100011934036_100000705612 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.44 N#CCCC(=O)Nc1ccccc1 11a_100000106764_100011934036 [0,2,0,0,0,0|2,0,0]=4 7527 B13R1.44 N#CCCC(=O)Nc1ccccc1 1626a_100000106764_100011934036 [0,2,0,0,0,0|2,0,0]=4 7528 B13R1.44 N#CCCC(=O)Nc1ccccc1 22a_100000106764_100011934036 [0,2,0,0,0,0|2,0,0]=4 7529 B13R1.44 N#CCCC(=O)Nc1ccccc1 527a_100000106764_100011934036 [0,2,0,0,0,0|2,0,0]=4 7530 B13R1.44 N#CCNC(=O)C[n+]1ccccc1 527a_100000734998_200000086051 [0,2,0,0,0,0|2,0,0]=4 7531 B13R1.44 N#CCNC(=O)Cc1cccnc1 527a_100000734998_100000737805 [0,2,0,0,0,0|2,0,0]=4 7532 B13R1.44 N#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000734998 [0,2,0,0,0,0|2,0,0]=4 7533 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,2,0,0,0,0|1,0,1]=4 7534 B13R1.44 O=C(C#CCO)Cc1ccccc1 1458a_100000049017_100015291786 [0,2,0,0,0,0|1,0,0]=3 7535 B13R1.44 O=C(C#CCO)Cc1ccccn1 1458a_100000049017_100000721315 [0,2,0,0,0,0|2,0,0]=4 7536 B13R1.44 O=C(C#CCO)Cc1cccnc1 1458a_100000049017_100000733263 [0,2,0,0,0,0|2,0,0]=4 7537 B13R1.44 O=C(C#CCO)Cc1ccncc1 1458a_100000049017_100000705612 [0,2,0,0,0,0|2,0,0]=4 7538 B13R1.44 O=C(CCCF)C[n+]1ccccc1 1458a_200000086051_100011934791 [0,2,0,0,0,0|2,0,0]=4 7539 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,2,0,0,0,0|2,0,0]=4 7541 B13R1.44 O=C(CCCO)C[n+]1ccccc1 1458a_200000086051_100011215043 [0,2,0,0,0,0|2,0,0]=4 7542 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,2,0,0,0,0|2,0,0]=4 7543 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,2,0,0,0,0|2,0,0]=4 7544 B13R1.44 O=C(COCF)Nc1ccccc1 34a_100000246334_100015361967 [0,2,0,0,0,0|1,0,0]=3 7545 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100000233483_100015361967 [0,2,0,0,0,0|0,1,0]=3 7546 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100015361967_100000233483 [0,2,0,0,0,0|0,1,0]=3 7547 B13R1.44 O=C(CSCF)Nc1ccccc1 62a_100012148978_100015361967 [0,2,0,0,0,0|1,1,0]=4 7548 B13R1.44 O=C(CSCF)Nc1ccccc1 62a_100015361967_100000182850 [0,2,0,0,0,0|1,1,0]=4 7549 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100009813826_100015361967 [0,2,0,0,0,0|1,1,0]=4 7550 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100015361967_100009813826 [0,2,0,0,0,0|1,1,0]=4 7551 B13R1.44 O=C(C[n+]1ccccc1)NCCF 11a_100000724931_200000086051 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.44 O=C(C[n+]1ccccc1)NCCF 240690a_100000724931_200000086051 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.44 O=C(C[n+]1ccccc1)NCCF 527a_100000724931_200000086051 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.44 O=C(C[n+]1ccccc1)NCCO 240690a_100000210304_200000086051 [0,2,0,0,0,0|2,0,0]=4 7555 B13R1.44 O=C(C[n+]1ccccc1)NCCO 527a_100000210304_200000086051 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.44 O=C(Cc1ccccn1)NCCF 11a_100000724931_100000233486 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.44 O=C(Cc1cccnc1)NCCF 11a_100000724931_100000737805 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.44 O=C(Cc1cccnc1)NCCF 240690a_100000724931_100000737805 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.44 O=C(Cc1cccnc1)NCCF 527a_100000724931_100000737805 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.44 O=C(Cc1cccnc1)NCCO 240690a_100000210304_100000737805 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.44 O=C(Cc1cccnc1)NCCO 527a_100000210304_100000737805 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.44 O=C(Cc1ccncc1)NCCF 11a_100000724931_100011201483 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.44 O=C(Cc1ccncc1)NCCF 240690a_100000724931_100011201483 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [0,2,0,0,0,0|2,0,0]=4 7565 B13R1.44 O=C(NCCF)Nc1ccccc1 2430a_100000106764_100000724931 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.44 O=C(NCCO)Nc1ccccc1 2430a_100000106764_100000210304 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.44 [13CH3]SCCC(=O)Nc1ccccc1 62a_200025704644_100000242058 [0,2,0,0,0,0|1,1,0]=4 7568 B13R1.44 [13CH3]SCCC(=O)Oc1ccccc1 62a_200025704644_200000035796 [0,2,0,0,0,0|1,1,0]=4 7569 B13R1.47 C#CCC(=O)C(C)c1ccccc1 1458a_100011220946_100000230085 [0,2,0,0,0,0|1,0,1]=4 7570 B13R1.47 C#CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000184674 [0,2,0,0,0,0|1,0,1]=4 7571 B13R1.47 C#CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000184674 [0,2,0,0,0,0|1,0,1]=4 7572 B13R1.47 C#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000184674 [0,2,0,0,0,0|1,0,1]=4 7573 B13R1.47 C=C(C(=O)CCC)c1ccccc1 1458a_100000065200_100000210303 [0,2,0,0,0,0|1,0,1]=4 7574 B13R1.47 C=C(C(=O)CCF)c1ccccc1 1458a_100000065200_100011217306 [0,2,0,0,0,0|1,0,1]=4 7575 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,2,0,0,0,0|1,0,1]=4 7576 B13R1.47 C=C(C(=O)NNC)c1ccccc1 22a_100016993582_100000065200 [0,2,0,0,0,0|1,0,1]=4 7577 B13R1.47 C=CCC(=O)C(C)c1ccccc1 1458a_100000210193_100000230085 [0,2,0,0,0,0|1,0,1]=4 7578 B13R1.47 C=CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210623 [0,2,0,0,0,0|1,0,1]=4 7579 B13R1.47 C=CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210623 [0,2,0,0,0,0|1,0,1]=4 7580 B13R1.47 C=CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210623 [0,2,0,0,0,0|1,0,1]=4 7581 B13R1.47 CC#CC(=O)C(C)c1ccccc1 1458a_100000763181_100000230085 [0,2,0,0,0,0|1,0,0]=3 7582 B13R1.47 CC#CC(=O)N(C)c1ccccc1 22a_100000210012_100000763181 [0,2,0,0,0,0|2,0,0]=4 7583 B13R1.47 CC(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000230085 [0,2,0,0,0,0|1,0,1]=4 7584 B13R1.47 CC(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000230085 [0,2,0,0,0,0|1,0,1]=4 7585 B13R1.47 CC(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000230085 [0,2,0,0,0,0|1,0,1]=4 7586 B13R1.47 CC(C(=O)CC#N)c1ccccc1 1458a_100051588842_100000230085 [0,2,0,0,0,0|1,0,1]=4 7587 B13R1.47 CC(C(=O)CCF)c1ccccn1 1458a_100000722050_100011217306 [0,2,0,0,0,0|2,0,0]=4 7588 B13R1.47 CC(C(=O)CCO)c1ccccc1 1458a_100011216618_100000230085 [0,2,0,0,0,0|1,0,0]=3 7589 B13R1.47 CC(C(=O)CCO)c1ccccn1 1458a_100000722050_100000211926 [0,2,0,0,0,0|2,0,0]=4 7590 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [0,2,0,0,0,0|1,0,0]=3 7591 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [0,2,0,0,0,0|2,0,0]=4 7592 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [0,2,0,0,0,0|2,0,0]=4 7593 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [0,2,0,0,0,0|2,0,0]=4 7594 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,2,0,0,0,0|1,0,0]=3 7595 B13R1.47 CCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210303 [0,2,0,0,0,0|2,0,0]=4 7596 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,2,0,0,0,0|1,0,0]=3 7597 B13R1.47 CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211992 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.47 CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211992 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.47 CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211992 [0,2,0,0,0,0|2,0,0]=4 7600 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,2,0,0,0,0|1,0,0]=3 7601 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,2,0,0,0,0|1,0,0]=3 7602 B13R1.47 CCNC(=O)C(C)c1ccccn1 11a_100015525214_100000722050 [0,2,0,0,0,0|2,0,0]=4 7603 B13R1.47 CCNC(=O)C(C)c1ccccn1 240690a_100015525214_100000722050 [0,2,0,0,0,0|2,0,0]=4 7604 B13R1.47 CCNC(=O)C(C)c1ccccn1 527a_100015525214_100000722050 [0,2,0,0,0,0|2,0,0]=4 7605 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,2,0,0,0,0|1,0,0]=3 7606 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,2,0,0,0,0|1,0,0]=3 7607 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,2,0,0,0,0|1,0,0]=3 7608 B13R1.47 CCNC(=O)N(C)c1ccccc1 512a_100015525214_100000210012 [0,2,0,0,0,0|2,0,0]=4 7609 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,2,0,0,0,0|1,0,0]=3 7610 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,2,0,0,0,0|1,0,0]=3 7611 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,2,0,0,0,0|1,0,0]=3 7612 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,2,0,0,0,0|1,0,0]=3 7613 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,2,0,0,0,0|1,0,1]=4 7614 B13R1.47 CN(C(=O)CCO)c1ccccc1 22a_100000210012_100011216618 [0,2,0,0,0,0|2,0,0]=4 7615 B13R1.47 CN(C(=O)CN[13CH3])c1ccccc1 2230a_200000174886_200025704644 [0,2,0,0,0,0|2,0,0]=4 7616 B13R1.47 CN(C(=O)CS[13CH3])c1ccccc1 62a_100000183487_200025704644 [0,2,0,0,0,0|1,1,0]=4 7617 B13R1.47 CN(C(=O)CS[13CH3])c1ccccc1 62a_200025704644_100000183487 [0,2,0,0,0,0|1,1,0]=4 7618 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_106832991635_100000183487 [0,2,0,0,0,0|2,0,0]=4 7619 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_200000174886_200000210301 [0,2,0,0,0,0|2,0,0]=4 7620 B13R1.47 CNCC(=O)N(C)c1ccccc1 34a_100102657272_100000183487 [0,2,0,0,0,0|2,0,0]=4 7621 B13R1.47 CNCC(=O)N(C)c1ccccc1 7a_106832991635_100000183487 [0,2,0,0,0,0|2,0,0]=4 7622 B13R1.47 CNNC(=O)C(C)c1ccccn1 22a_100016993582_100000722050 [0,2,0,0,0,0|2,0,0]=4 7623 B13R1.47 CNNC(=O)C(F)c1ccccc1 22a_100016993582_100000698975 [0,2,0,0,0,0|1,0,0]=3 7624 B13R1.47 CNNC(=O)N(C)c1ccccc1 512a_100016993582_100000210012 [0,2,0,0,0,0|2,0,0]=4 7625 B13R1.47 CNNC(=O)[C@@H](C)c1ccccc1 22a_100016993582_100000751047 [0,2,0,0,0,0|1,0,0]=3 7626 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,2,0,0,0,0|1,0,0]=3 7627 B13R1.47 COCC(=O)C(C)c1ccccc1 1458a_100000210968_100000230085 [0,2,0,0,0,0|0,0,0]=2 7628 B13R1.47 COCC(=O)C(C)c1cnccn1 1458a_100000210968_200000703233 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.47 COCC(=O)N(C)c1ccccc1 11a_100000210012_100000210968 [0,2,0,0,0,0|1,0,0]=3 7630 B13R1.47 COCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210968 [0,2,0,0,0,0|1,0,0]=3 7631 B13R1.47 COCC(=O)N(C)c1ccccc1 22a_100000210012_100000210968 [0,2,0,0,0,0|1,0,0]=3 7632 B13R1.47 COCC(=O)N(C)c1ccccc1 34a_100138415774_100000183487 [0,2,0,0,0,0|1,0,0]=3 7633 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,2,0,0,0,0|2,0,0]=4 7635 B13R1.47 CSCC(=O)C(C)c1ccccc1 1458a_100000184570_100000230085 [0,2,0,0,0,0|0,1,0]=3 7636 B13R1.47 CSCC(=O)N(C)c1ccccc1 11a_100000210012_100000184570 [0,2,0,0,0,0|1,1,0]=4 7637 B13R1.47 CSCC(=O)N(C)c1ccccc1 1626a_100000210012_100000184570 [0,2,0,0,0,0|1,1,0]=4 7638 B13R1.47 CSCC(=O)N(C)c1ccccc1 22a_100000210012_100000184570 [0,2,0,0,0,0|1,1,0]=4 7639 B13R1.47 CSCC(=O)N(C)c1ccccc1 62a_100000183487_200000210301 [0,2,0,0,0,0|1,1,0]=4 7640 B13R1.47 CSCC(=O)N(C)c1ccccc1 62a_200000210301_100000183487 [0,2,0,0,0,0|1,1,0]=4 7641 B13R1.47 C[C@H](C(=O)CC#N)c1ccccc1 1458a_100000751047_100011214920 [0,2,0,0,0,0|1,0,1]=4 7642 B13R1.47 C[C@H](C(=O)CCF)c1ccccc1 1458a_100000751047_100011217306 [0,2,0,0,0,0|1,0,0]=3 7643 B13R1.47 C[C@H](C(=O)CCO)c1ccccc1 1458a_100000751047_100000211926 [0,2,0,0,0,0|1,0,0]=3 7644 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,2,0,0,0,0|1,0,1]=4 7645 B13R1.47 N#CCC(=O)C(F)c1ccccc1 1458a_100000698975_100011214920 [0,2,0,0,0,0|1,0,1]=4 7646 B13R1.47 N#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011214920 [0,2,0,0,0,0|1,0,1]=4 7647 B13R1.47 O=C(CCF)C(F)c1ccccc1 1458a_100000698975_100011217306 [0,2,0,0,0,0|1,0,0]=3 7648 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,2,0,0,0,0|1,0,0]=3 7649 B13R1.47 O=C(CCO)C(F)c1ccccc1 1458a_100000698975_100000211926 [0,2,0,0,0,0|1,0,0]=3 7650 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,2,0,0,0,0|1,0,0]=3 7651 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,2,0,0,0,0|1,0,1]=4 7652 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,2,0,0,0,0|1,0,1]=4 7653 B13R1.79 C#CC(Cc1ccccc1)OCF 34a_100000685211_100015361967 [0,2,0,0,0,0|1,0,1]=4 7654 B13R1.79 C#CC(Cc1ccccc1)OCF 7a_100000685211_100015361967 [0,2,0,0,0,0|1,0,1]=4 7655 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,2,0,0,0,0|1,0,1]=4 7656 B13R1.79 CCN(CC=O)Cc1ccccc1 2230a_100000186914_200015260668 [0,2,0,0,0,0|2,0,0]=4 7657 B13R1.79 CCN(CC=O)Cc1ccccc1 269982a_100000186914_200015260668 [0,2,0,0,0,0|2,0,0]=4 7658 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,2,0,0,0,0|2,0,0]=4 7659 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,2,0,0,0,0|2,0,0]=4 7660 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,2,0,0,0,0|1,0,1]=4 7661 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,2,0,0,0,0|1,0,1]=4 7662 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,2,0,0,0,0|1,0,1]=4 7663 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,2,0,0,0,0|1,0,1]=4 7664 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,2,0,0,0,0|1,0,1]=4 7665 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,2,0,0,0,0|1,0,1]=4 7666 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,2,0,0,0,0|1,0,1]=4 7667 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,2,0,0,0,0|1,0,1]=4 7668 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|1,0,1]=4 7669 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,2,0,0,0,0|1,0,1]=4 7670 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,2,0,0,0,0|1,0,1]=4 7671 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,2,0,0,0,0|1,0,1]=4 7672 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,2,0,0,0,0|1,0,1]=4 7673 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,2,0,0,0,0|1,0,1]=4 7674 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|1,0,1]=4 7675 B13R1.348 C=C(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000748629 [0,2,0,0,0,0|2,0,0]=4 7676 B13R1.348 C=C(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000748629 [0,2,0,0,0,0|2,0,0]=4 7677 B13R1.348 C=C(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000748629 [0,2,0,0,0,0|2,0,0]=4 7678 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,2,0,0,0,0|1,0,0]=3 7679 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,2,0,0,0,0|1,0,0]=3 7680 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,2,0,0,0,0|1,0,0]=3 7681 B13R1.348 CC(=CC(=O)Cc1ccccn1)C 1458a_100000211388_100000721315 [0,2,0,0,0,0|2,0,0]=4 7682 B13R1.348 CC(=CC(=O)Cc1ccccn1)Cl 1458a_200042562850_100000721315 [0,2,0,0,0,0|2,0,0]=4 7683 B13R1.348 CC(=CC(=O)Cc1ccccn1)I 1458a_100025716642_100000721315 [0,2,0,0,0,0|2,0,0]=4 7684 B13R1.348 CC(=CC(=O)Cc1cccnc1)C 1458a_100000211388_100000733263 [0,2,0,0,0,0|2,0,0]=4 7685 B13R1.348 CC(=CC(=O)Cc1cccnc1)Cl 1458a_200042562850_100000733263 [0,2,0,0,0,0|2,0,0]=4 7686 B13R1.348 CC(=CC(=O)Cc1cccnc1)I 1458a_100025716642_100000733263 [0,2,0,0,0,0|2,0,0]=4 7687 B13R1.348 CC(=CC(=O)Cc1ccncc1)C 1458a_100000211388_100000705612 [0,2,0,0,0,0|2,0,0]=4 7688 B13R1.348 CC(=CC(=O)Cc1ccncc1)Cl 1458a_200042562850_100000705612 [0,2,0,0,0,0|2,0,0]=4 7689 B13R1.348 CC(=CC(=O)Cc1ccncc1)I 1458a_100025716642_100000705612 [0,2,0,0,0,0|2,0,0]=4 7690 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,2,0,0,0,0|2,0,0]=4 7691 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,2,0,0,0,0|2,0,0]=4 7692 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,2,0,0,0,0|2,0,0]=4 7693 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,2,0,0,0,0|2,0,0]=4 7694 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,2,0,0,0,0|2,0,0]=4 7695 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,2,0,0,0,0|2,0,0]=4 7696 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,2,0,0,0,0|2,0,0]=4 7697 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,2,0,0,0,0|2,0,0]=4 7698 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,2,0,0,0,0|1,0,0]=3 7699 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,2,0,0,0,0|2,0,0]=4 7700 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,2,0,0,0,0|2,0,0]=4 7701 B13R1.348 CC(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000210624 [0,2,0,0,0,0|2,0,0]=4 7702 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,2,0,0,0,0|1,0,0]=3 7703 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000210554_100000721315 [0,2,0,0,0,0|2,0,0]=4 7704 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000210624 [0,2,0,0,0,0|2,0,0]=4 7705 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000210554_100000733263 [0,2,0,0,0,0|2,0,0]=4 7706 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000210624 [0,2,0,0,0,0|2,0,0]=4 7707 B13R1.348 CC(C)CC(=O)Cc1ccncc1 1458a_100000210554_100000705612 [0,2,0,0,0,0|2,0,0]=4 7708 B13R1.348 CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000210554 [0,2,0,0,0,0|2,0,0]=4 7709 B13R1.348 CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000210554 [0,2,0,0,0,0|2,0,0]=4 7710 B13R1.348 CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000210554 [0,2,0,0,0,0|2,0,0]=4 7711 B13R1.348 CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000210554 [0,2,0,0,0,0|2,0,0]=4 7712 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 11a_100138425928_200000086051 [0,2,0,0,0,0|2,0,0]=4 7713 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 240690a_100138425928_200000086051 [0,2,0,0,0,0|2,0,0]=4 7714 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 527a_100138425928_200000086051 [0,2,0,0,0,0|2,0,0]=4 7715 B13R1.348 CC(C)NC(=O)Cc1ccccn1 11a_100138425928_100000233486 [0,2,0,0,0,0|2,0,0]=4 7716 B13R1.348 CC(C)NC(=O)Cc1cccnc1 11a_100138425928_100000737805 [0,2,0,0,0,0|2,0,0]=4 7717 B13R1.348 CC(C)NC(=O)Cc1cccnc1 240690a_100138425928_100000737805 [0,2,0,0,0,0|2,0,0]=4 7718 B13R1.348 CC(C)NC(=O)Cc1cccnc1 527a_100138425928_100000737805 [0,2,0,0,0,0|2,0,0]=4 7719 B13R1.348 CC(C)NC(=O)Cc1ccncc1 11a_100138425928_100011201483 [0,2,0,0,0,0|2,0,0]=4 7720 B13R1.348 CC(C)NC(=O)Cc1ccncc1 240690a_100138425928_100011201483 [0,2,0,0,0,0|2,0,0]=4 7721 B13R1.348 CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100138425928 [0,2,0,0,0,0|2,0,0]=4 7722 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,2,0,0,0,0|1,0,1]=4 7723 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,2,0,0,0,0|1,0,1]=4 7724 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,2,0,0,0,0|1,0,1]=4 7725 B13R1.348 CC(O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011218427 [0,2,0,0,0,0|2,0,0]=4 7726 B13R1.348 CC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218427 [0,2,0,0,0,0|2,0,0]=4 7727 B13R1.348 CC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218427 [0,2,0,0,0,0|2,0,0]=4 7728 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,2,0,0,0,0|1,0,0]=3 7729 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,2,0,0,0,0|1,0,0]=3 7730 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,2,0,0,0,0|1,0,0]=3 7731 B13R1.348 CN(C)CC(=O)Cc1ccccn1 1458a_100000750896_100000721315 [0,2,0,0,0,0|2,0,0]=4 7732 B13R1.348 CN(C)CC(=O)Cc1cccnc1 1458a_100000750896_100000733263 [0,2,0,0,0,0|2,0,0]=4 7733 B13R1.348 CN(C)CC(=O)Cc1ccncc1 1458a_100000750896_100000705612 [0,2,0,0,0,0|2,0,0]=4 7734 B13R1.348 CN(C)CC(=O)Nc1ccccc1 11a_100000106764_100000750896 [0,2,0,0,0,0|2,0,0]=4 7735 B13R1.348 CN(C)CC(=O)Nc1ccccc1 2230a_100102631434_100000182850 [0,2,0,0,0,0|2,0,0]=4 7736 B13R1.348 CN(C)CC(=O)Nc1ccccc1 22a_100000106764_100000750896 [0,2,0,0,0,0|2,0,0]=4 7737 B13R1.348 CN(C)CC(=O)Nc1ccccc1 269982a_100102631434_100000182850 [0,2,0,0,0,0|2,0,0]=4 7738 B13R1.348 CN(C)CC(=O)Nc1ccccc1 527a_100000106764_100000750896 [0,2,0,0,0,0|2,0,0]=4 7739 B13R1.348 CN(C)CC(=O)Oc1ccccc1 2230a_100102631434_100009813826 [0,2,0,0,0,0|2,0,0]=4 7740 B13R1.348 CN(C)CC(=O)Oc1ccccc1 269982a_100102631434_100009813826 [0,2,0,0,0,0|2,0,0]=4 7741 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,2,0,0,0,0|1,0,0]=3 7742 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccn1 1458a_100011933948_100000721315 [0,2,0,0,0,0|2,0,0]=4 7743 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnc1 1458a_100011933948_100000733263 [0,2,0,0,0,0|2,0,0]=4 7744 B13R1.348 C[C@@H](O)CC(=O)Cc1ccncc1 1458a_100011933948_100000705612 [0,2,0,0,0,0|2,0,0]=4 7745 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,2,0,0,0,0|2,0,0]=4 7746 B13R1.348 C[S+](C)CC(=O)Cc1ccccc1 1458a_200159257847_100015291786 [0,2,0,0,0,0|0,1,0]=3 7747 B13R1.348 C[S+](C)CC(=O)Cc1ccccn1 1458a_200159257847_100000721315 [0,2,0,0,0,0|1,1,0]=4 7748 B13R1.348 C[S+](C)CC(=O)Cc1cccnc1 1458a_200159257847_100000733263 [0,2,0,0,0,0|1,1,0]=4 7749 B13R1.348 C[S+](C)CC(=O)Cc1ccncc1 1458a_200159257847_100000705612 [0,2,0,0,0,0|1,1,0]=4 7750 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 11a_100000106764_200159257847 [0,2,0,0,0,0|1,1,0]=4 7751 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 1626a_100000106764_200159257847 [0,2,0,0,0,0|1,1,0]=4 7752 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 22a_100000106764_200159257847 [0,2,0,0,0,0|1,1,0]=4 7753 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 527a_100000106764_200159257847 [0,2,0,0,0,0|1,1,0]=4 7754 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,2,0,0,0,0|1,0,1]=4 7755 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccc1 1458a_100000137448_100015291786 [0,2,0,0,0,0|1,0,1]=4 7756 B13R1.348 O=C(CC(F)F)C[n+]1ccccc1 1458a_200000086051_100011934356 [0,2,0,0,0,0|2,0,0]=4 7757 B13R1.348 O=C(Cc1ccccn1)CC(F)F 1458a_100000233486_100011934356 [0,2,0,0,0,0|2,0,0]=4 7758 B13R1.348 O=C(Cc1cccnc1)CC(F)F 1458a_100000737805_100011934356 [0,2,0,0,0,0|2,0,0]=4 7759 B13R1.470 C#CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000184674 [0,2,0,0,0,0|1,0,1]=4 7760 B13R1.470 C#CCC(=O)Cc1ccccc1Br 1458a_100011220946_100000184730 [0,2,0,0,0,0|1,0,1]=4 7761 B13R1.470 C#CCC(=O)Cc1ccccc1C 1458a_100000212180_100000184674 [0,2,0,0,0,0|1,0,1]=4 7762 B13R1.470 C#CCC(=O)Cc1ccccc1C 1458a_100011220946_100000211839 [0,2,0,0,0,0|1,0,1]=4 7763 B13R1.470 C#CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000184674 [0,2,0,0,0,0|1,0,1]=4 7764 B13R1.470 C#CCC(=O)Cc1ccccc1Cl 1458a_100011220946_100000187162 [0,2,0,0,0,0|1,0,1]=4 7765 B13R1.470 C#CCC(=O)Cc1ccccc1F 1458a_100000212012_100000184674 [0,2,0,0,0,0|1,0,1]=4 7766 B13R1.470 C#CCC(=O)Cc1ccccc1F 1458a_100011220946_100000187165 [0,2,0,0,0,0|1,0,1]=4 7767 B13R1.470 C#CCC(=O)Cc1ccccc1I 1458a_100000036491_100000184674 [0,2,0,0,0,0|1,0,1]=4 7768 B13R1.470 C#CCC(=O)Cc1ccccc1I 1458a_100011220946_100011216222 [0,2,0,0,0,0|1,0,1]=4 7769 B13R1.470 C#CCC(=O)Cc1ccccc1O 1458a_100000743006_100000184674 [0,2,0,0,0,0|1,0,1]=4 7770 B13R1.470 C=CCC(=O)Cc1ccccc1Br 1458a_100000210193_100000184730 [0,2,0,0,0,0|1,0,1]=4 7771 B13R1.470 C=CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210623 [0,2,0,0,0,0|1,0,1]=4 7772 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000210193_100000211839 [0,2,0,0,0,0|1,0,1]=4 7773 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210623 [0,2,0,0,0,0|1,0,1]=4 7774 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210623 [0,2,0,0,0,0|1,0,1]=4 7775 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000210193_100000187162 [0,2,0,0,0,0|1,0,1]=4 7776 B13R1.470 C=CCC(=O)Cc1ccccc1F 1458a_100000210193_100000187165 [0,2,0,0,0,0|1,0,1]=4 7777 B13R1.470 C=CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210623 [0,2,0,0,0,0|1,0,1]=4 7778 B13R1.470 C=CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210623 [0,2,0,0,0,0|1,0,1]=4 7779 B13R1.470 C=CCC(=O)Cc1ccccc1I 1458a_100000210193_100011216222 [0,2,0,0,0,0|1,0,1]=4 7780 B13R1.470 C=CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210623 [0,2,0,0,0,0|1,0,1]=4 7781 B13R1.470 CC#CC(=O)Cc1ccccc1Br 1458a_100000763181_100000184730 [0,2,0,0,0,0|1,0,0]=3 7782 B13R1.470 CC#CC(=O)Cc1ccccc1C 1458a_100000763181_100000211839 [0,2,0,0,0,0|1,0,0]=3 7783 B13R1.470 CC#CC(=O)Cc1ccccc1Cl 1458a_100000763181_100000187162 [0,2,0,0,0,0|1,0,0]=3 7784 B13R1.470 CC#CC(=O)Cc1ccccc1F 1458a_100000763181_100000187165 [0,2,0,0,0,0|1,0,0]=3 7785 B13R1.470 CC#CC(=O)Cc1ccccc1I 1458a_100000763181_100011216222 [0,2,0,0,0,0|1,0,0]=3 7786 B13R1.470 CC#CC(=O)Cc1cccnc1Br 1458a_100000763181_100010140945 [0,2,0,0,0,0|2,0,0]=4 7787 B13R1.470 CC#CC(=O)Cc1cccnc1C 1458a_100000763181_100000732876 [0,2,0,0,0,0|2,0,0]=4 7788 B13R1.470 CC#CC(=O)Cc1cccnc1Cl 1458a_100000763181_100000045678 [0,2,0,0,0,0|2,0,0]=4 7789 B13R1.470 CC#CC(=O)Cc1cccnc1F 1458a_100000763181_100000099810 [0,2,0,0,0,0|2,0,0]=4 7790 B13R1.470 CC#CC(=O)Cc1ccncc1C 1458a_100000763181_100020672808 [0,2,0,0,0,0|2,0,0]=4 7791 B13R1.470 CC#CC(=O)Cc1ccncc1Cl 1458a_100000763181_100000763264 [0,2,0,0,0,0|2,0,0]=4 7792 B13R1.470 CC#CC(=O)Cc1cnccc1C 1458a_100000763181_100000690890 [0,2,0,0,0,0|2,0,0]=4 7793 B13R1.470 CC#CC(=O)Cc1ncccc1Br 1458a_100000763181_100025702911 [0,2,0,0,0,0|2,0,0]=4 7794 B13R1.470 CC#CC(=O)Cc1ncccc1C 1458a_100000763181_100000696600 [0,2,0,0,0,0|2,0,0]=4 7795 B13R1.470 CC#CC(=O)Cc1ncccc1Cl 1458a_100000763181_100000099807 [0,2,0,0,0,0|2,0,0]=4 7796 B13R1.470 CC#CC(=O)Cc1ncccc1F 1458a_100000763181_100000104219 [0,2,0,0,0,0|2,0,0]=4 7797 B13R1.470 CC#CC(=O)Cc1ncccc1O 1458a_100000763181_200020655725 [0,2,0,0,0,0|2,0,0]=4 7798 B13R1.470 CC#CC(=O)Nc1ccccc1C 22a_100015192222_100000763181 [0,2,0,0,0,0|2,0,0]=4 7799 B13R1.470 CC#CC(=O)Nc1ccccc1Cl 22a_100000185783_100000763181 [0,2,0,0,0,0|2,0,0]=4 7800 B13R1.470 CC#CC(=O)Nc1ccccc1F 22a_100000210422_100000763181 [0,2,0,0,0,0|2,0,0]=4 7801 B13R1.470 CC#CC(=O)Nc1ccccc1O 22a_100000185747_100000763181 [0,2,0,0,0,0|2,0,0]=4 7802 B13R1.470 CC=CC(=O)Cc1ccccc1Br 1458a_100000210699_100000184730 [0,2,0,0,0,0|1,0,0]=3 7803 B13R1.470 CC=CC(=O)Cc1ccccc1C 1458a_100000210699_100000211839 [0,2,0,0,0,0|1,0,0]=3 7804 B13R1.470 CC=CC(=O)Cc1ccccc1Cl 1458a_100000210699_100000187162 [0,2,0,0,0,0|1,0,0]=3 7805 B13R1.470 CC=CC(=O)Cc1ccccc1F 1458a_100000210699_100000187165 [0,2,0,0,0,0|1,0,0]=3 7806 B13R1.470 CC=CC(=O)Cc1ccccc1I 1458a_100000210699_100011216222 [0,2,0,0,0,0|1,0,0]=3 7807 B13R1.470 CC=CC(=O)Cc1cccnc1Br 1458a_100000210699_100010140945 [0,2,0,0,0,0|2,0,0]=4 7808 B13R1.470 CC=CC(=O)Cc1cccnc1C 1458a_100000210699_100000732876 [0,2,0,0,0,0|2,0,0]=4 7809 B13R1.470 CC=CC(=O)Cc1cccnc1Cl 1458a_100000210699_100000045678 [0,2,0,0,0,0|2,0,0]=4 7810 B13R1.470 CC=CC(=O)Cc1cccnc1F 1458a_100000210699_100000099810 [0,2,0,0,0,0|2,0,0]=4 7811 B13R1.470 CC=CC(=O)Cc1ccncc1C 1458a_100000210699_100020672808 [0,2,0,0,0,0|2,0,0]=4 7812 B13R1.470 CC=CC(=O)Cc1ccncc1Cl 1458a_100000210699_100000763264 [0,2,0,0,0,0|2,0,0]=4 7813 B13R1.470 CC=CC(=O)Cc1cnccc1C 1458a_100000210699_100000690890 [0,2,0,0,0,0|2,0,0]=4 7814 B13R1.470 CC=CC(=O)Cc1ncccc1Br 1458a_100000210699_100025702911 [0,2,0,0,0,0|2,0,0]=4 7815 B13R1.470 CC=CC(=O)Cc1ncccc1C 1458a_100000210699_100000696600 [0,2,0,0,0,0|2,0,0]=4 7816 B13R1.470 CC=CC(=O)Cc1ncccc1Cl 1458a_100000210699_100000099807 [0,2,0,0,0,0|2,0,0]=4 7817 B13R1.470 CC=CC(=O)Cc1ncccc1F 1458a_100000210699_100000104219 [0,2,0,0,0,0|2,0,0]=4 7818 B13R1.470 CC=CC(=O)Cc1ncccc1O 1458a_100000210699_200020655725 [0,2,0,0,0,0|2,0,0]=4 7819 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,2,0,0,0,0|2,0,0]=4 7820 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,2,0,0,0,0|2,0,0]=4 7821 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,2,0,0,0,0|2,0,0]=4 7822 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,2,0,0,0,0|2,0,0]=4 7823 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,2,0,0,0,0|2,0,0]=4 7824 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,2,0,0,0,0|2,0,0]=4 7825 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,2,0,0,0,0|2,0,0]=4 7826 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,2,0,0,0,0|2,0,0]=4 7827 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,2,0,0,0,0|2,0,0]=4 7828 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,2,0,0,0,0|2,0,0]=4 7829 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,2,0,0,0,0|2,0,0]=4 7830 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,2,0,0,0,0|2,0,0]=4 7831 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,2,0,0,0,0|2,0,0]=4 7832 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,2,0,0,0,0|2,0,0]=4 7833 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,2,0,0,0,0|1,0,0]=3 7834 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,2,0,0,0,0|1,0,0]=3 7835 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,2,0,0,0,0|1,0,0]=3 7836 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,2,0,0,0,0|1,0,0]=3 7837 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,2,0,0,0,0|1,0,0]=3 7838 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,2,0,0,0,0|1,0,0]=3 7839 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,2,0,0,0,0|1,0,0]=3 7840 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,2,0,0,0,0|1,0,0]=3 7841 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,2,0,0,0,0|1,0,0]=3 7842 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,2,0,0,0,0|1,0,0]=3 7843 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,2,0,0,0,0|1,0,0]=3 7844 B13R1.470 CCCC(=O)Cc1cccnc1Br 1458a_100000211992_100010140945 [0,2,0,0,0,0|2,0,0]=4 7845 B13R1.470 CCCC(=O)Cc1cccnc1C 1458a_100000211992_100000732876 [0,2,0,0,0,0|2,0,0]=4 7846 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210303 [0,2,0,0,0,0|2,0,0]=4 7847 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000211992_100000045678 [0,2,0,0,0,0|2,0,0]=4 7848 B13R1.470 CCCC(=O)Cc1cccnc1F 1458a_100000211992_100000099810 [0,2,0,0,0,0|2,0,0]=4 7849 B13R1.470 CCCC(=O)Cc1ccncc1C 1458a_100000211992_100020672808 [0,2,0,0,0,0|2,0,0]=4 7850 B13R1.470 CCCC(=O)Cc1ccncc1Cl 1458a_100000211992_100000763264 [0,2,0,0,0,0|2,0,0]=4 7851 B13R1.470 CCCC(=O)Cc1cnccc1C 1458a_100000211992_100000690890 [0,2,0,0,0,0|2,0,0]=4 7852 B13R1.470 CCCC(=O)Cc1ncccc1Br 1458a_100000211992_100025702911 [0,2,0,0,0,0|2,0,0]=4 7853 B13R1.470 CCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210303 [0,2,0,0,0,0|2,0,0]=4 7854 B13R1.470 CCCC(=O)Cc1ncccc1C 1458a_100000211992_100000696600 [0,2,0,0,0,0|2,0,0]=4 7855 B13R1.470 CCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210303 [0,2,0,0,0,0|2,0,0]=4 7856 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100000211992_100000099807 [0,2,0,0,0,0|2,0,0]=4 7857 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210303 [0,2,0,0,0,0|2,0,0]=4 7858 B13R1.470 CCCC(=O)Cc1ncccc1F 1458a_100000211992_100000104219 [0,2,0,0,0,0|2,0,0]=4 7859 B13R1.470 CCCC(=O)Cc1ncccc1O 1458a_100000211992_200020655725 [0,2,0,0,0,0|2,0,0]=4 7860 B13R1.470 CCCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210303 [0,2,0,0,0,0|2,0,0]=4 7861 B13R1.470 CCCC(=O)Nc1ccccc1Br 11a_100000210017_100000211992 [0,2,0,0,0,0|2,0,0]=4 7862 B13R1.470 CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000211992 [0,2,0,0,0,0|2,0,0]=4 7863 B13R1.470 CCCC(=O)Nc1ccccc1C 11a_100015192222_100000211992 [0,2,0,0,0,0|2,0,0]=4 7864 B13R1.470 CCCC(=O)Nc1ccccc1C 1626a_100015192222_100000211992 [0,2,0,0,0,0|2,0,0]=4 7865 B13R1.470 CCCC(=O)Nc1ccccc1C 22a_100015192222_100000211992 [0,2,0,0,0,0|2,0,0]=4 7866 B13R1.470 CCCC(=O)Nc1ccccc1C 527a_100015192222_100000211992 [0,2,0,0,0,0|2,0,0]=4 7867 B13R1.470 CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211992 [0,2,0,0,0,0|2,0,0]=4 7868 B13R1.470 CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211992 [0,2,0,0,0,0|2,0,0]=4 7869 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211992 [0,2,0,0,0,0|2,0,0]=4 7870 B13R1.470 CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211992 [0,2,0,0,0,0|2,0,0]=4 7871 B13R1.470 CCCC(=O)Nc1ccccc1F 11a_100000210422_100000211992 [0,2,0,0,0,0|2,0,0]=4 7872 B13R1.470 CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000211992 [0,2,0,0,0,0|2,0,0]=4 7873 B13R1.470 CCCC(=O)Nc1ccccc1F 22a_100000210422_100000211992 [0,2,0,0,0,0|2,0,0]=4 7874 B13R1.470 CCCC(=O)Nc1ccccc1F 527a_100000210422_100000211992 [0,2,0,0,0,0|2,0,0]=4 7875 B13R1.470 CCCC(=O)Nc1ccccc1I 11a_100000210053_100000211992 [0,2,0,0,0,0|2,0,0]=4 7876 B13R1.470 CCCC(=O)Nc1ccccc1I 1626a_100000210053_100000211992 [0,2,0,0,0,0|2,0,0]=4 7877 B13R1.470 CCCC(=O)Nc1ccccc1O 22a_100000185747_100000211992 [0,2,0,0,0,0|2,0,0]=4 7878 B13R1.470 CCCC(=O)Nc1ccccc1O 271570a_203496583355_100000153530 [0,2,0,0,0,0|2,0,0]=4 7879 B13R1.470 CCCC(=O)Nc1ccccc1O 527a_100000185747_100000211992 [0,2,0,0,0,0|2,0,0]=4 7880 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,2,0,0,0,0|1,0,0]=3 7881 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,2,0,0,0,0|1,0,0]=3 7882 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,2,0,0,0,0|1,0,0]=3 7883 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,2,0,0,0,0|1,0,0]=3 7884 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,2,0,0,0,0|1,0,0]=3 7885 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,2,0,0,0,0|1,0,0]=3 7886 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,2,0,0,0,0|1,0,0]=3 7887 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,2,0,0,0,0|1,0,0]=3 7888 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,2,0,0,0,0|1,0,0]=3 7889 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,2,0,0,0,0|1,0,0]=3 7890 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,2,0,0,0,0|1,0,0]=3 7891 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,2,0,0,0,0|1,0,0]=3 7892 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,2,0,0,0,0|1,0,0]=3 7893 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,2,0,0,0,0|1,0,0]=3 7894 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,2,0,0,0,0|1,0,0]=3 7895 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,2,0,0,0,0|1,0,0]=3 7896 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,2,0,0,0,0|1,0,0]=3 7897 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,2,0,0,0,0|1,0,0]=3 7898 B13R1.470 CCNC(=O)Cc1cccnc1Cl 11a_100015525214_100000093521 [0,2,0,0,0,0|2,0,0]=4 7899 B13R1.470 CCNC(=O)Cc1cccnc1Cl 240690a_100015525214_100000093521 [0,2,0,0,0,0|2,0,0]=4 7900 B13R1.470 CCNC(=O)Cc1cccnc1Cl 527a_100015525214_100000093521 [0,2,0,0,0,0|2,0,0]=4 7901 B13R1.470 CCNC(=O)Cc1ncccc1Br 11a_100015525214_200012357574 [0,2,0,0,0,0|2,0,0]=4 7902 B13R1.470 CCNC(=O)Cc1ncccc1Br 240690a_100015525214_200012357574 [0,2,0,0,0,0|2,0,0]=4 7903 B13R1.470 CCNC(=O)Cc1ncccc1C 11a_100015525214_200000722269 [0,2,0,0,0,0|2,0,0]=4 7904 B13R1.470 CCNC(=O)Cc1ncccc1C 240690a_100015525214_200000722269 [0,2,0,0,0,0|2,0,0]=4 7905 B13R1.470 CCNC(=O)Cc1ncccc1Cl 11a_100015525214_100011998755 [0,2,0,0,0,0|2,0,0]=4 7906 B13R1.470 CCNC(=O)Cc1ncccc1Cl 240690a_100015525214_100011998755 [0,2,0,0,0,0|2,0,0]=4 7907 B13R1.470 CCNC(=O)Cc1ncccc1Cl 527a_100015525214_100011998755 [0,2,0,0,0,0|2,0,0]=4 7908 B13R1.470 CCNC(=O)Cn1ccccc1=O 240690a_100015525214_100000189665 [0,2,0,0,0,0|2,0,0]=4 7909 B13R1.470 CCNC(=O)Cn1ccccc1=O 527a_100015525214_100000189665 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,2,0,0,0,0|2,0,0]=4 7911 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,2,0,0,0,0|2,0,0]=4 7912 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,2,0,0,0,0|2,0,0]=4 7913 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,2,0,0,0,0|2,0,0]=4 7914 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,2,0,0,0,0|2,0,0]=4 7915 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,2,0,0,0,0|2,0,0]=4 7916 B13R1.470 CCOC(=O)Cc1ccccc1O 271570a_203496583355_100011218996 [0,2,0,0,0,0|0,0,0]=2 7917 B13R1.470 CCOC(=O)Cc1cccnc1O 271570a_203496583355_100009886914 [0,2,0,0,0,0|1,0,0]=3 7918 B13R1.470 CCOC(=O)Cc1ccncc1O 271570a_203496583355_100010089795 [0,2,0,0,0,0|1,0,0]=3 7919 B13R1.470 CCOC(=O)Cc1ncccc1O 271570a_203496583355_100016306959 [0,2,0,0,0,0|1,0,0]=3 7920 B13R1.470 CCOC(=O)Cc1ncncc1O 271570a_203496583355_100010009764 [0,2,0,0,0,0|2,0,0]=4 7921 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,2,0,0,0,0|1,0,0]=3 7922 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,2,0,0,0,0|1,0,0]=3 7923 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,2,0,0,0,0|1,0,0]=3 7924 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,2,0,0,0,0|1,0,0]=3 7925 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,2,0,0,0,0|1,0,0]=3 7926 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,2,0,0,0,0|2,0,0]=4 7927 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,2,0,0,0,0|2,0,0]=4 7929 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,2,0,0,0,0|2,0,0]=4 7930 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,2,0,0,0,0|2,0,0]=4 7931 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,2,0,0,0,0|2,0,0]=4 7932 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,2,0,0,0,0|2,0,0]=4 7933 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,2,0,0,0,0|2,0,0]=4 7934 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,2,0,0,0,0|2,0,0]=4 7935 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,2,0,0,0,0|2,0,0]=4 7936 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,2,0,0,0,0|2,0,0]=4 7937 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,2,0,0,0,0|2,0,0]=4 7938 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,2,0,0,0,0|2,0,0]=4 7939 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,2,0,0,0,0|2,0,0]=4 7940 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,2,0,0,0,0|2,0,0]=4 7941 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,2,0,0,0,0|2,0,0]=4 7942 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,2,0,0,0,0|2,0,0]=4 7943 B13R1.470 CNNC(=O)Cc1ccccc1Br 22a_100016993582_100000751119 [0,2,0,0,0,0|1,0,0]=3 7944 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,2,0,0,0,0|1,0,0]=3 7945 B13R1.470 CNNC(=O)Cc1ccccc1Cl 22a_100016993582_100000183793 [0,2,0,0,0,0|1,0,0]=3 7946 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,2,0,0,0,0|1,0,0]=3 7947 B13R1.470 CNNC(=O)Cc1ccccc1I 22a_100016993582_100000036491 [0,2,0,0,0,0|1,0,0]=3 7948 B13R1.470 CNNC(=O)Cc1ccccc1O 22a_100016993582_100000743006 [0,2,0,0,0,0|1,0,0]=3 7949 B13R1.470 CNNC(=O)Cc1cccnc1Cl 22a_100016993582_100000093521 [0,2,0,0,0,0|2,0,0]=4 7950 B13R1.470 CNNC(=O)Cc1ncccc1Br 22a_100016993582_200012357574 [0,2,0,0,0,0|2,0,0]=4 7951 B13R1.470 CNNC(=O)Cn1ccccc1=O 22a_100016993582_100000189665 [0,2,0,0,0,0|2,0,0]=4 7952 B13R1.470 COCC(=O)Cc1ccccc1Br 1458a_100000210968_100000184730 [0,2,0,0,0,0|0,0,0]=2 7953 B13R1.470 COCC(=O)Cc1ccccc1Br 34a_100138415774_100000700504 [0,2,0,0,0,0|0,0,0]=2 7954 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,2,0,0,0,0|0,0,0]=2 7955 B13R1.470 COCC(=O)Cc1ccccc1Cl 1458a_100000210968_100000187162 [0,2,0,0,0,0|0,0,0]=2 7956 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,2,0,0,0,0|0,0,0]=2 7957 B13R1.470 COCC(=O)Cc1ccccc1I 1458a_100000210968_100011216222 [0,2,0,0,0,0|0,0,0]=2 7958 B13R1.470 COCC(=O)Cc1cccnc1Br 1458a_100000210968_100010140945 [0,2,0,0,0,0|1,0,0]=3 7959 B13R1.470 COCC(=O)Cc1cccnc1C 1458a_100000210968_100000732876 [0,2,0,0,0,0|1,0,0]=3 7960 B13R1.470 COCC(=O)Cc1cccnc1Cl 1458a_100000210968_100000045678 [0,2,0,0,0,0|1,0,0]=3 7961 B13R1.470 COCC(=O)Cc1cccnc1F 1458a_100000210968_100000099810 [0,2,0,0,0,0|1,0,0]=3 7962 B13R1.470 COCC(=O)Cc1ccncc1C 1458a_100000210968_100020672808 [0,2,0,0,0,0|1,0,0]=3 7963 B13R1.470 COCC(=O)Cc1ccncc1Cl 1458a_100000210968_100000763264 [0,2,0,0,0,0|1,0,0]=3 7964 B13R1.470 COCC(=O)Cc1cnccc1C 1458a_100000210968_100000690890 [0,2,0,0,0,0|1,0,0]=3 7965 B13R1.470 COCC(=O)Cc1ncccc1Br 1458a_100000210968_100025702911 [0,2,0,0,0,0|1,0,0]=3 7966 B13R1.470 COCC(=O)Cc1ncccc1C 1458a_100000210968_100000696600 [0,2,0,0,0,0|1,0,0]=3 7967 B13R1.470 COCC(=O)Cc1ncccc1Cl 1458a_100000210968_100000099807 [0,2,0,0,0,0|1,0,0]=3 7968 B13R1.470 COCC(=O)Cc1ncccc1F 1458a_100000210968_100000104219 [0,2,0,0,0,0|1,0,0]=3 7969 B13R1.470 COCC(=O)Cc1ncccc1O 1458a_100000210968_200020655725 [0,2,0,0,0,0|1,0,0]=3 7970 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,2,0,0,0,0|1,0,0]=3 7971 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,2,0,0,0,0|1,0,0]=3 7972 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 7973 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 7974 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 7975 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,2,0,0,0,0|1,0,0]=3 7976 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 7977 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 7978 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 7979 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 7980 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,2,0,0,0,0|1,0,0]=3 7981 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 7982 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 7983 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 7984 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 7985 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,2,0,0,0,0|1,0,0]=3 7986 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 7987 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,2,0,0,0,0|1,0,0]=3 7988 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,2,0,0,0,0|1,0,0]=3 7989 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,2,0,0,0,0|1,0,0]=3 7990 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,2,0,0,0,0|1,0,0]=3 7991 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,2,0,0,0,0|1,0,0]=3 7992 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,2,0,0,0,0|1,0,0]=3 7993 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|1,0,1]=4 7994 B13R1.470 COCN(C)Cc1ccccc1Br 2230a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 7995 B13R1.470 COCN(C)Cc1ccccc1Br 269982a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 7996 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 7997 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 7998 B13R1.470 COCN(C)Cc1ccccc1Cl 2230a_100000184507_100000766300 [0,2,0,0,0,0|2,0,0]=4 7999 B13R1.470 COCN(C)Cc1ccccc1Cl 269982a_100000184507_100000766300 [0,2,0,0,0,0|2,0,0]=4 8000 B13R1.470 COCN(C)Cc1ccccc1F 2230a_100000742528_100000766300 [0,2,0,0,0,0|2,0,0]=4 8001 B13R1.470 COCN(C)Cc1ccccc1F 269982a_100000742528_100000766300 [0,2,0,0,0,0|2,0,0]=4 8002 B13R1.470 COCN(C)Cc1ccccc1O 2230a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 8003 B13R1.470 COCN(C)Cc1ccccc1O 269982a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 8004 B13R1.470 CSCC(=O)Cc1ccccc1Br 1458a_100000184570_100000184730 [0,2,0,0,0,0|0,1,0]=3 8005 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_100000700504_200000210301 [0,2,0,0,0,0|0,1,0]=3 8006 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_200000210301_100000700504 [0,2,0,0,0,0|0,1,0]=3 8007 B13R1.470 CSCC(=O)Cc1ccccc1C 1458a_100000184570_100000211839 [0,2,0,0,0,0|0,1,0]=3 8008 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_100011223134_200000210301 [0,2,0,0,0,0|0,1,0]=3 8009 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_200000210301_100011223134 [0,2,0,0,0,0|0,1,0]=3 8010 B13R1.470 CSCC(=O)Cc1ccccc1Cl 1458a_100000184570_100000187162 [0,2,0,0,0,0|0,1,0]=3 8011 B13R1.470 CSCC(=O)Cc1ccccc1F 1458a_100000184570_100000187165 [0,2,0,0,0,0|0,1,0]=3 8012 B13R1.470 CSCC(=O)Cc1ccccc1I 1458a_100000184570_100011216222 [0,2,0,0,0,0|0,1,0]=3 8013 B13R1.470 CSCC(=O)Cc1cccnc1Br 1458a_100000184570_100010140945 [0,2,0,0,0,0|1,1,0]=4 8014 B13R1.470 CSCC(=O)Cc1cccnc1C 1458a_100000184570_100000732876 [0,2,0,0,0,0|1,1,0]=4 8015 B13R1.470 CSCC(=O)Cc1cccnc1Cl 1458a_100000184570_100000045678 [0,2,0,0,0,0|1,1,0]=4 8016 B13R1.470 CSCC(=O)Cc1cccnc1F 1458a_100000184570_100000099810 [0,2,0,0,0,0|1,1,0]=4 8017 B13R1.470 CSCC(=O)Cc1ccncc1C 1458a_100000184570_100020672808 [0,2,0,0,0,0|1,1,0]=4 8018 B13R1.470 CSCC(=O)Cc1ccncc1Cl 1458a_100000184570_100000763264 [0,2,0,0,0,0|1,1,0]=4 8019 B13R1.470 CSCC(=O)Cc1cnccc1C 1458a_100000184570_100000690890 [0,2,0,0,0,0|1,1,0]=4 8020 B13R1.470 CSCC(=O)Cc1ncccc1Br 1458a_100000184570_100025702911 [0,2,0,0,0,0|1,1,0]=4 8021 B13R1.470 CSCC(=O)Cc1ncccc1C 1458a_100000184570_100000696600 [0,2,0,0,0,0|1,1,0]=4 8022 B13R1.470 CSCC(=O)Cc1ncccc1Cl 1458a_100000184570_100000099807 [0,2,0,0,0,0|1,1,0]=4 8023 B13R1.470 CSCC(=O)Cc1ncccc1F 1458a_100000184570_100000104219 [0,2,0,0,0,0|1,1,0]=4 8024 B13R1.470 CSCC(=O)Cc1ncccc1O 1458a_100000184570_200020655725 [0,2,0,0,0,0|1,1,0]=4 8025 B13R1.470 CSCC(=O)Nc1ccccc1Br 11a_100000210017_100000184570 [0,2,0,0,0,0|1,1,0]=4 8026 B13R1.470 CSCC(=O)Nc1ccccc1Br 1626a_100000210017_100000184570 [0,2,0,0,0,0|1,1,0]=4 8027 B13R1.470 CSCC(=O)Nc1ccccc1Br 62a_100000182372_200000210301 [0,2,0,0,0,0|1,1,0]=4 8028 B13R1.470 CSCC(=O)Nc1ccccc1Br 62a_200000210301_100000182372 [0,2,0,0,0,0|1,1,0]=4 8029 B13R1.470 CSCC(=O)Nc1ccccc1C 11a_100015192222_100000184570 [0,2,0,0,0,0|1,1,0]=4 8030 B13R1.470 CSCC(=O)Nc1ccccc1C 1626a_100015192222_100000184570 [0,2,0,0,0,0|1,1,0]=4 8031 B13R1.470 CSCC(=O)Nc1ccccc1C 22a_100015192222_100000184570 [0,2,0,0,0,0|1,1,0]=4 8032 B13R1.470 CSCC(=O)Nc1ccccc1C 527a_100015192222_100000184570 [0,2,0,0,0,0|1,1,0]=4 8033 B13R1.470 CSCC(=O)Nc1ccccc1C 62a_200000210301_100000183529 [0,2,0,0,0,0|1,1,0]=4 8034 B13R1.470 CSCC(=O)Nc1ccccc1Cl 11a_100000185783_100000184570 [0,2,0,0,0,0|1,1,0]=4 8035 B13R1.470 CSCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000184570 [0,2,0,0,0,0|1,1,0]=4 8036 B13R1.470 CSCC(=O)Nc1ccccc1Cl 22a_100000185783_100000184570 [0,2,0,0,0,0|1,1,0]=4 8037 B13R1.470 CSCC(=O)Nc1ccccc1Cl 527a_100000185783_100000184570 [0,2,0,0,0,0|1,1,0]=4 8038 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200000210301_100000182448 [0,2,0,0,0,0|1,1,0]=4 8039 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200011202291_200000210301 [0,2,0,0,0,0|1,1,0]=4 8040 B13R1.470 CSCC(=O)Nc1ccccc1F 11a_100000210422_100000184570 [0,2,0,0,0,0|1,1,0]=4 8041 B13R1.470 CSCC(=O)Nc1ccccc1F 1626a_100000210422_100000184570 [0,2,0,0,0,0|1,1,0]=4 8042 B13R1.470 CSCC(=O)Nc1ccccc1F 22a_100000210422_100000184570 [0,2,0,0,0,0|1,1,0]=4 8043 B13R1.470 CSCC(=O)Nc1ccccc1F 527a_100000210422_100000184570 [0,2,0,0,0,0|1,1,0]=4 8044 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_100000182988_200000210301 [0,2,0,0,0,0|1,1,0]=4 8045 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_200000210301_100000182988 [0,2,0,0,0,0|1,1,0]=4 8046 B13R1.470 CSCC(=O)Nc1ccccc1I 11a_100000210053_100000184570 [0,2,0,0,0,0|1,1,0]=4 8047 B13R1.470 CSCC(=O)Nc1ccccc1I 1626a_100000210053_100000184570 [0,2,0,0,0,0|1,1,0]=4 8048 B13R1.470 CSCC(=O)Nc1ccccc1I 62a_100000180142_200000210301 [0,2,0,0,0,0|1,1,0]=4 8049 B13R1.470 CSCC(=O)Nc1ccccc1I 62a_200000210301_100000180142 [0,2,0,0,0,0|1,1,0]=4 8050 B13R1.470 CSCC(=O)Nc1ccccc1O 22a_100000185747_100000184570 [0,2,0,0,0,0|1,1,0]=4 8051 B13R1.470 CSCC(=O)Nc1ccccc1O 527a_100000185747_100000184570 [0,2,0,0,0,0|1,1,0]=4 8052 B13R1.470 CSCC(=O)Nc1ccccc1O 62a_200000210301_100000014494 [0,2,0,0,0,0|1,1,0]=4 8053 B13R1.470 Cc1ccccc1CC(=O)C=CBr 1458a_100016273825_100000211839 [0,2,0,0,0,0|1,0,1]=4 8054 B13R1.470 Cc1ccccc1CC(=O)C=CCl 1458a_200016279998_100000211839 [0,2,0,0,0,0|1,0,1]=4 8055 B13R1.470 Cc1ccccc1CC(=O)C=CI 1458a_100016256311_100000211839 [0,2,0,0,0,0|1,0,1]=4 8056 B13R1.470 Cc1ccccc1CC(=O)CC#N 1458a_100000212180_100011214920 [0,2,0,0,0,0|1,0,1]=4 8057 B13R1.470 Cc1ccccc1CC(=O)CC#N 1458a_100051588842_100000211839 [0,2,0,0,0,0|1,0,1]=4 8058 B13R1.470 Cc1ccccc1CC(=O)CCF 1458a_100000212180_100011217306 [0,2,0,0,0,0|1,0,0]=3 8059 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,2,0,0,0,0|1,0,0]=3 8060 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,2,0,0,0,0|1,0,0]=3 8061 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_100011223134_200025704644 [0,2,0,0,0,0|0,1,0]=3 8062 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_200025704644_100011223134 [0,2,0,0,0,0|0,1,0]=3 8063 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,2,0,0,0,0|2,0,0]=4 8064 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,2,0,0,0,0|2,0,0]=4 8065 B13R1.470 Cc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000183529 [0,2,0,0,0,0|1,1,0]=4 8066 B13R1.470 Cc1cccnc1CC(=O)CCF 1458a_200000722269_100011217306 [0,2,0,0,0,0|2,0,0]=4 8067 B13R1.470 Cc1cccnc1CC(=O)CCO 1458a_100011216618_100000696600 [0,2,0,0,0,0|2,0,0]=4 8068 B13R1.470 Cc1cccnc1CC(=O)CCO 1458a_200000722269_100000211926 [0,2,0,0,0,0|2,0,0]=4 8069 B13R1.470 Cc1ccncc1CC(=O)CCO 1458a_100011216618_100000690890 [0,2,0,0,0,0|2,0,0]=4 8070 B13R1.470 Cc1cnccc1CC(=O)CCO 1458a_100011216618_100020672808 [0,2,0,0,0,0|2,0,0]=4 8071 B13R1.470 Cc1ncccc1CC(=O)CCO 1458a_100011216618_100000732876 [0,2,0,0,0,0|2,0,0]=4 8072 B13R1.470 N#CCC(=O)Cc1ccccc1Br 1458a_100000751119_100011214920 [0,2,0,0,0,0|1,0,1]=4 8073 B13R1.470 N#CCC(=O)Cc1ccccc1Br 1458a_100051588842_100000184730 [0,2,0,0,0,0|1,0,1]=4 8074 B13R1.470 N#CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100011214920 [0,2,0,0,0,0|1,0,1]=4 8075 B13R1.470 N#CCC(=O)Cc1ccccc1Cl 1458a_100051588842_100000187162 [0,2,0,0,0,0|1,0,1]=4 8076 B13R1.470 N#CCC(=O)Cc1ccccc1F 1458a_100000212012_100011214920 [0,2,0,0,0,0|1,0,1]=4 8077 B13R1.470 N#CCC(=O)Cc1ccccc1F 1458a_100051588842_100000187165 [0,2,0,0,0,0|1,0,1]=4 8078 B13R1.470 N#CCC(=O)Cc1ccccc1I 1458a_100000036491_100011214920 [0,2,0,0,0,0|1,0,1]=4 8079 B13R1.470 N#CCC(=O)Cc1ccccc1I 1458a_100051588842_100011216222 [0,2,0,0,0,0|1,0,1]=4 8080 B13R1.470 N#CCC(=O)Cc1ccccc1O 1458a_100000743006_100011214920 [0,2,0,0,0,0|1,0,1]=4 8081 B13R1.470 O=C(C=CBr)Cc1ccccc1Br 1458a_100016273825_100000184730 [0,2,0,0,0,0|1,0,1]=4 8082 B13R1.470 O=C(C=CBr)Cc1ccccc1Cl 1458a_100016273825_100000187162 [0,2,0,0,0,0|1,0,1]=4 8083 B13R1.470 O=C(C=CBr)Cc1ccccc1F 1458a_100016273825_100000187165 [0,2,0,0,0,0|1,0,1]=4 8084 B13R1.470 O=C(C=CBr)Cc1ccccc1I 1458a_100016273825_100011216222 [0,2,0,0,0,0|1,0,1]=4 8085 B13R1.470 O=C(C=CCl)Cc1ccccc1Br 1458a_200016279998_100000184730 [0,2,0,0,0,0|1,0,1]=4 8086 B13R1.470 O=C(C=CCl)Cc1ccccc1Cl 1458a_200016279998_100000187162 [0,2,0,0,0,0|1,0,1]=4 8087 B13R1.470 O=C(C=CCl)Cc1ccccc1F 1458a_200016279998_100000187165 [0,2,0,0,0,0|1,0,1]=4 8088 B13R1.470 O=C(C=CCl)Cc1ccccc1I 1458a_200016279998_100011216222 [0,2,0,0,0,0|1,0,1]=4 8089 B13R1.470 O=C(C=CI)Cc1ccccc1Br 1458a_100016256311_100000184730 [0,2,0,0,0,0|1,0,1]=4 8090 B13R1.470 O=C(C=CI)Cc1ccccc1Cl 1458a_100016256311_100000187162 [0,2,0,0,0,0|1,0,1]=4 8091 B13R1.470 O=C(C=CI)Cc1ccccc1F 1458a_100016256311_100000187165 [0,2,0,0,0,0|1,0,1]=4 8092 B13R1.470 O=C(C=CI)Cc1ccccc1I 1458a_100016256311_100011216222 [0,2,0,0,0,0|1,0,1]=4 8093 B13R1.470 O=C(CCF)Cc1ccccc1Br 1458a_100000751119_100011217306 [0,2,0,0,0,0|1,0,0]=3 8094 B13R1.470 O=C(CCF)Cc1ccccc1Cl 1458a_100000183793_100011217306 [0,2,0,0,0,0|1,0,0]=3 8095 B13R1.470 O=C(CCF)Cc1ccccc1F 1458a_100000212012_100011217306 [0,2,0,0,0,0|1,0,0]=3 8096 B13R1.470 O=C(CCF)Cc1ccccc1I 1458a_100000036491_100011217306 [0,2,0,0,0,0|1,0,0]=3 8097 B13R1.470 O=C(CCF)Cc1ccccc1O 1458a_100000743006_100011217306 [0,2,0,0,0,0|1,0,0]=3 8098 B13R1.470 O=C(CCF)Cc1cccnc1Cl 1458a_100000093521_100011217306 [0,2,0,0,0,0|2,0,0]=4 8099 B13R1.470 O=C(CCF)Cc1ncccc1Br 1458a_200012357574_100011217306 [0,2,0,0,0,0|2,0,0]=4 8100 B13R1.470 O=C(CCF)Cc1ncccc1Cl 1458a_100011998755_100011217306 [0,2,0,0,0,0|2,0,0]=4 8101 B13R1.470 O=C(CCF)Cn1ccccc1=O 1458a_100000189665_100011217306 [0,2,0,0,0,0|2,0,0]=4 8102 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100000751119_100000211926 [0,2,0,0,0,0|1,0,0]=3 8103 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100011216618_100000184730 [0,2,0,0,0,0|1,0,0]=3 8104 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,2,0,0,0,0|1,0,0]=3 8105 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,2,0,0,0,0|1,0,0]=3 8106 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,2,0,0,0,0|1,0,0]=3 8107 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,2,0,0,0,0|1,0,0]=3 8108 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100000036491_100000211926 [0,2,0,0,0,0|1,0,0]=3 8109 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100011216618_100011216222 [0,2,0,0,0,0|1,0,0]=3 8110 B13R1.470 O=C(CCO)Cc1ccccc1O 1458a_100000743006_100000211926 [0,2,0,0,0,0|1,0,0]=3 8111 B13R1.470 O=C(CCO)Cc1cccnc1Br 1458a_100011216618_100010140945 [0,2,0,0,0,0|2,0,0]=4 8112 B13R1.470 O=C(CCO)Cc1cccnc1Cl 1458a_100000093521_100000211926 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.470 O=C(CCO)Cc1cccnc1Cl 1458a_100011216618_100000045678 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.470 O=C(CCO)Cc1cccnc1F 1458a_100011216618_100000099810 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.470 O=C(CCO)Cc1ccncc1Cl 1458a_100011216618_100000763264 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.470 O=C(CCO)Cc1ncccc1Br 1458a_100011216618_100025702911 [0,2,0,0,0,0|2,0,0]=4 8117 B13R1.470 O=C(CCO)Cc1ncccc1Br 1458a_200012357574_100000211926 [0,2,0,0,0,0|2,0,0]=4 8118 B13R1.470 O=C(CCO)Cc1ncccc1Cl 1458a_100011216618_100000099807 [0,2,0,0,0,0|2,0,0]=4 8119 B13R1.470 O=C(CCO)Cc1ncccc1Cl 1458a_100011998755_100000211926 [0,2,0,0,0,0|2,0,0]=4 8120 B13R1.470 O=C(CCO)Cc1ncccc1F 1458a_100011216618_100000104219 [0,2,0,0,0,0|2,0,0]=4 8121 B13R1.470 O=C(CCO)Cc1ncccc1O 1458a_100011216618_200020655725 [0,2,0,0,0,0|2,0,0]=4 8122 B13R1.470 O=C(CCO)Cn1ccccc1=O 1458a_100000189665_100000211926 [0,2,0,0,0,0|2,0,0]=4 8123 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,2,0,0,0,0|2,0,0]=4 8124 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,2,0,0,0,0|2,0,0]=4 8125 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,2,0,0,0,0|2,0,0]=4 8126 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,2,0,0,0,0|2,0,0]=4 8127 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|1,0,1]=4 8128 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_100000700504_200025704644 [0,2,0,0,0,0|0,1,0]=3 8129 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_200025704644_100000700504 [0,2,0,0,0,0|0,1,0]=3 8130 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Br 62a_100000182372_200025704644 [0,2,0,0,0,0|1,1,0]=4 8131 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Br 62a_200025704644_100000182372 [0,2,0,0,0,0|1,1,0]=4 8132 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200011202291_200025704644 [0,2,0,0,0,0|1,1,0]=4 8133 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200025704644_100000182448 [0,2,0,0,0,0|1,1,0]=4 8134 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_100000182988_200025704644 [0,2,0,0,0,0|1,1,0]=4 8135 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_200025704644_100000182988 [0,2,0,0,0,0|1,1,0]=4 8136 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1I 62a_100000180142_200025704644 [0,2,0,0,0,0|1,1,0]=4 8137 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1I 62a_200025704644_100000180142 [0,2,0,0,0,0|1,1,0]=4 8138 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1O 62a_200025704644_100000014494 [0,2,0,0,0,0|1,1,0]=4 8139 B13R1.1327 CC(C)(Cc1ccccc1)OCF 7a_100011215222_100015361967 [0,2,0,0,0,0|1,0,1]=4 8140 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 270084a_100015525214_100000211737 [0,2,0,0,0,0|2,0,0]=4 8141 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 274078a_100015525214_100000211737 [0,2,0,0,0,0|2,0,0]=4 8142 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 40a_100015525214_100000235865 [0,2,0,0,0,0|2,0,0]=4 8143 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,2,0,0,0,0|1,0,1]=4 8144 B13R1.1327 CNNS(=O)(=O)Cc1ccccc1 40a_100016993582_100000235865 [0,2,0,0,0,0|2,0,0]=4 8145 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Br 1458a_100000211873_100000755118 [0,2,0,0,0,0|1,0,1]=4 8146 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)C 1458a_100000211873_100011261388 [0,2,0,0,0,0|1,0,1]=4 8147 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000211873_100000684792 [0,2,0,0,0,0|1,0,1]=4 8148 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)F 1458a_100000211873_100000743420 [0,2,0,0,0,0|1,0,1]=4 8149 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Br 1458a_100000185746_100000755118 [0,2,0,0,0,0|1,0,1]=4 8150 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)C 1458a_100000185746_100011261388 [0,2,0,0,0,0|1,0,1]=4 8151 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000185746_100000684792 [0,2,0,0,0,0|1,0,1]=4 8152 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)F 1458a_100000185746_100000743420 [0,2,0,0,0,0|1,0,1]=4 8153 B13R1.21 CC(C(=O)CF)c1ccc(cc1)Cl 1458a_100011216001_100015361967 [0,2,0,0,0,0|2,0,0]=4 8154 B13R1.21 CC(C(=O)CF)c1ccc(cc1)F 1458a_100011435297_100015361967 [0,2,0,0,0,0|2,0,0]=4 8155 B13R1.21 CC(C(=O)CF)c1ccc(cc1)O 1458a_100000031422_100015361967 [0,2,0,0,0,0|2,0,0]=4 8156 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Br 1458a_100000210174_100000755118 [0,2,0,0,0,0|2,0,0]=4 8157 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,2,0,0,0,0|2,0,0]=4 8158 B13R1.21 CC(C(=O)CO)c1ccc(cc1)F 1458a_100000210174_100000743420 [0,2,0,0,0,0|2,0,0]=4 8159 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Br 1458a_100000210414_100000755118 [0,2,0,0,0,0|1,0,0]=3 8160 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000210414_100011261388 [0,2,0,0,0,0|1,0,0]=3 8161 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000210202 [0,2,0,0,0,0|1,0,0]=3 8162 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100000210414_100000684792 [0,2,0,0,0,0|1,0,0]=3 8163 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_100000210202 [0,2,0,0,0,0|1,0,0]=3 8164 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100000210414_100000743420 [0,2,0,0,0,0|1,0,0]=3 8165 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_100000210202 [0,2,0,0,0,0|1,0,0]=3 8166 B13R1.21 CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210202 [0,2,0,0,0,0|1,0,0]=3 8167 B13R1.21 CCC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_100000210202 [0,2,0,0,0,0|1,0,0]=3 8168 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,2,0,0,0,0|1,0,0]=3 8169 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,2,0,0,0,0|1,0,0]=3 8170 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,2,0,0,0,0|1,0,0]=3 8171 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100000210414 [0,2,0,0,0,0|2,0,0]=4 8172 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100000210414 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000210414 [0,2,0,0,0,0|2,0,0]=4 8174 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100000210414 [0,2,0,0,0,0|2,0,0]=4 8175 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100000210414 [0,2,0,0,0,0|2,0,0]=4 8176 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000210414 [0,2,0,0,0,0|2,0,0]=4 8177 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100000210414 [0,2,0,0,0,0|2,0,0]=4 8178 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100000210414 [0,2,0,0,0,0|2,0,0]=4 8179 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000210414 [0,2,0,0,0,0|2,0,0]=4 8180 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100000210414 [0,2,0,0,0,0|2,0,0]=4 8181 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100000210414 [0,2,0,0,0,0|2,0,0]=4 8182 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000210414 [0,2,0,0,0,0|2,0,0]=4 8183 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100000210414 [0,2,0,0,0,0|2,0,0]=4 8184 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100000210414 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000210414 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000210414 [0,2,0,0,0,0|2,0,0]=4 8187 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000210414 [0,2,0,0,0,0|2,0,0]=4 8188 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,2,0,0,0,0|1,0,0]=3 8189 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,2,0,0,0,0|1,0,0]=3 8190 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,2,0,0,0,0|1,0,0]=3 8191 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,2,0,0,0,0|1,0,0]=3 8192 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,2,0,0,0,0|1,0,0]=3 8193 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,2,0,0,0,0|1,0,0]=3 8194 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,2,0,0,0,0|1,0,0]=3 8195 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,2,0,0,0,0|1,0,0]=3 8196 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,2,0,0,0,0|1,0,0]=3 8197 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,2,0,0,0,0|1,0,0]=3 8198 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,2,0,0,0,0|1,0,0]=3 8199 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,2,0,0,0,0|1,0,0]=3 8200 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,2,0,0,0,0|1,0,0]=3 8201 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,2,0,0,0,0|1,0,0]=3 8202 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,2,0,0,0,0|1,0,0]=3 8203 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,2,0,0,0,0|1,0,0]=3 8204 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,2,0,0,0,0|1,0,0]=3 8205 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,2,0,0,0,0|1,0,0]=3 8206 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,2,0,0,0,0|1,0,0]=3 8207 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,2,0,0,0,0|1,0,0]=3 8208 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,2,0,0,0,0|1,0,0]=3 8209 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,2,0,0,0,0|1,0,0]=3 8210 B13R1.21 CNC(=O)N(C)c1ccc(cc1)Br 512a_106832991638_100000219623 [0,2,0,0,0,0|2,0,0]=4 8211 B13R1.21 CNC(=O)N(C)c1ccc(cc1)C 512a_106832991638_100000219977 [0,2,0,0,0,0|2,0,0]=4 8212 B13R1.21 CNC(=O)N(C)c1ccc(cc1)I 512a_100000743151_100102657272 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,2,0,0,0,0|1,0,0]=3 8214 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,2,0,0,0,0|1,0,0]=3 8215 B13R1.21 COC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100012339527 [0,2,0,0,0,0|0,0,1]=3 8216 B13R1.21 COC(=O)C(N)c1ccc(cc1)O 271570a_203496583355_100000747369 [0,2,0,0,0,0|0,0,0]=2 8217 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CF 1458a_100000751627_100015361967 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CO 1458a_100000210174_100011261388 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.21 Cc1ccc(cc1)[C@@H](O)C(=O)CF 1458a_100009815954_100015361967 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.21 O=C(CF)C(F)c1ccc(cc1)Cl 1458a_100012277543_100015361967 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.21 O=C(CF)C(O)c1ccc(cc1)Br 1458a_100000756554_100015361967 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.21 O=C(CF)C(O)c1ccc(cc1)F 1458a_100000209909_100015361967 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.21 O=C(CF)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100015361967 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.22 CC(C(=O)CF)c1cccc(c1)Br 1458a_100000722698_100015361967 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.22 CC(C(=O)CF)c1cccc(c1)Cl 1458a_100000762818_100015361967 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.22 CC(C(=O)CF)c1cccc(c1)F 1458a_100000762896_100015361967 [0,2,0,0,0,0|2,0,0]=4 8228 B13R1.22 CCC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_100000210202 [0,2,0,0,0,0|1,0,0]=3 8229 B13R1.22 CCC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_100000210202 [0,2,0,0,0,0|1,0,0]=3 8230 B13R1.22 CCC(=O)C(C)c1cccc(c1)F 1458a_100000762896_100000210202 [0,2,0,0,0,0|1,0,0]=3 8231 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,2,0,0,0,0|1,0,0]=3 8232 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,2,0,0,0,0|1,0,0]=3 8233 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,2,0,0,0,0|1,0,0]=3 8234 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100000210414 [0,2,0,0,0,0|2,0,0]=4 8235 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100000210414 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000210414 [0,2,0,0,0,0|2,0,0]=4 8237 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100000210414 [0,2,0,0,0,0|2,0,0]=4 8238 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 11a_100000219674_100000210414 [0,2,0,0,0,0|2,0,0]=4 8239 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000210414 [0,2,0,0,0,0|2,0,0]=4 8240 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000210414 [0,2,0,0,0,0|2,0,0]=4 8241 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100000210414 [0,2,0,0,0,0|2,0,0]=4 8242 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100000210414 [0,2,0,0,0,0|2,0,0]=4 8243 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000210414 [0,2,0,0,0,0|2,0,0]=4 8244 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 11a_100020633736_100000210414 [0,2,0,0,0,0|2,0,0]=4 8245 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000210414 [0,2,0,0,0,0|2,0,0]=4 8246 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000210414 [0,2,0,0,0,0|2,0,0]=4 8247 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 11a_100000221217_100000210414 [0,2,0,0,0,0|2,0,0]=4 8248 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100000210414 [0,2,0,0,0,0|2,0,0]=4 8249 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000210414 [0,2,0,0,0,0|2,0,0]=4 8250 B13R1.22 CCC(=O)N(C)c1cccc(c1)O 527a_100000756613_100000210414 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.22 CCC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_100000210202 [0,2,0,0,0,0|1,0,0]=3 8252 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,2,0,0,0,0|1,0,0]=3 8253 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,2,0,0,0,0|1,0,0]=3 8254 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,2,0,0,0,0|1,0,0]=3 8255 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,2,0,0,0,0|1,0,0]=3 8256 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,2,0,0,0,0|1,0,0]=3 8257 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,2,0,0,0,0|1,0,0]=3 8258 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,2,0,0,0,0|1,0,0]=3 8259 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,2,0,0,0,0|1,0,0]=3 8260 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,2,0,0,0,0|1,0,0]=3 8261 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,2,0,0,0,0|1,0,0]=3 8262 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,2,0,0,0,0|1,0,0]=3 8263 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,2,0,0,0,0|1,0,0]=3 8264 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,2,0,0,0,0|1,0,0]=3 8265 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,2,0,0,0,0|1,0,0]=3 8266 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,2,0,0,0,0|1,0,0]=3 8267 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_100000219648_100102657272 [0,2,0,0,0,0|2,0,0]=4 8268 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_106832991638_100000219648 [0,2,0,0,0,0|2,0,0]=4 8269 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_100000219674_100102657272 [0,2,0,0,0,0|2,0,0]=4 8270 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_106832991638_100000219674 [0,2,0,0,0,0|2,0,0]=4 8271 B13R1.22 CNC(=O)N(C)c1cccc(c1)Cl 512a_100000220044_100102657272 [0,2,0,0,0,0|2,0,0]=4 8272 B13R1.22 CNC(=O)N(C)c1cccc(c1)F 512a_100020633736_100102657272 [0,2,0,0,0,0|2,0,0]=4 8273 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_100000221217_100102657272 [0,2,0,0,0,0|2,0,0]=4 8274 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_106832991638_100000221217 [0,2,0,0,0,0|2,0,0]=4 8275 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,2,0,0,0,0|2,0,0]=4 8276 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,2,0,0,0,0|1,0,0]=3 8277 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,2,0,0,0,0|1,0,0]=3 8278 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,2,0,0,0,0|1,0,0]=3 8279 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,2,0,0,0,0|1,0,0]=3 8280 B13R1.22 COC(=O)C(=O)c1cccc(c1)O 271570a_203496583355_100000699548 [0,2,0,0,0,0|0,0,1]=3 8281 B13R1.22 COC(=O)C(C)c1cccc(c1)O 271570a_203496583355_100010077029 [0,2,0,0,0,0|0,0,0]=2 8282 B13R1.22 COC(=O)C(N)c1cccc(c1)O 271570a_203496583355_100015207118 [0,2,0,0,0,0|0,0,0]=2 8283 B13R1.22 Cc1cccc(c1)C(O)C(=O)CF 1458a_100011434945_100015361967 [0,2,0,0,0,0|2,0,0]=4 8284 B13R1.22 Cc1cccc(c1)[C@@H](C)C(=O)CF 1458a_200009911544_100015361967 [0,2,0,0,0,0|2,0,0]=4 8285 B13R1.22 O=C(CF)C(O)c1cccc(c1)Cl 1458a_100011216955_100015361967 [0,2,0,0,0,0|2,0,0]=4 8286 B13R1.22 O=C(CF)C(O)c1cccc(c1)F 1458a_100011434943_100015361967 [0,2,0,0,0,0|2,0,0]=4 8287 B13R1.152 C=C(C(=O)C(C)C)c1ccccc1 1458a_100000065200_100000210206 [0,2,0,0,0,0|1,0,1]=4 8288 B13R1.152 C=C(C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000065200 [0,2,0,0,0,0|1,0,1]=4 8289 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,2,0,0,0,0|1,0,0]=3 8290 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,2,0,0,0,0|2,0,0]=4 8291 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,2,0,0,0,0|2,0,0]=4 8292 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,2,0,0,0,0|2,0,0]=4 8293 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,2,0,0,0,0|2,0,0]=4 8294 B13R1.152 CC(C(=O)C(O)O)c1ccccc1 1458a_100000233687_100000230085 [0,2,0,0,0,0|2,0,0]=4 8295 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 11a_100102631434_100000722050 [0,2,0,0,0,0|2,0,0]=4 8296 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 1626a_100102631434_100000722050 [0,2,0,0,0,0|2,0,0]=4 8297 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 240690a_100102631434_100000722050 [0,2,0,0,0,0|2,0,0]=4 8298 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 527a_100102631434_100000722050 [0,2,0,0,0,0|2,0,0]=4 8299 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,2,0,0,0,0|1,0,0]=3 8300 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,2,0,0,0,0|1,0,0]=3 8301 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,2,0,0,0,0|1,0,0]=3 8302 B13R1.152 CC(C)C(=O)C(C)c1ccccn1 1458a_100000722050_100000210206 [0,2,0,0,0,0|2,0,0]=4 8303 B13R1.152 CC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000210206 [0,2,0,0,0,0|1,0,0]=3 8304 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000210198 [0,2,0,0,0,0|2,0,0]=4 8305 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000210198 [0,2,0,0,0,0|2,0,0]=4 8306 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000210198 [0,2,0,0,0,0|2,0,0]=4 8307 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,2,0,0,0,0|1,0,0]=3 8308 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,2,0,0,0,0|1,0,0]=3 8309 B13R1.152 CC(F)C(=O)C(C)c1ccccc1 1458a_100000062450_100000230085 [0,2,0,0,0,0|1,0,0]=3 8310 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000062450 [0,2,0,0,0,0|2,0,0]=4 8311 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000062450 [0,2,0,0,0,0|2,0,0]=4 8312 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000062450 [0,2,0,0,0,0|2,0,0]=4 8313 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,2,0,0,0,0|2,0,0]=4 8314 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 11a_100102631434_100000698975 [0,2,0,0,0,0|1,0,0]=3 8315 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 1626a_100102631434_100000698975 [0,2,0,0,0,0|1,0,0]=3 8316 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 240690a_100102631434_100000698975 [0,2,0,0,0,0|1,0,0]=3 8317 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 527a_100102631434_100000698975 [0,2,0,0,0,0|1,0,0]=3 8318 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,2,0,0,0,0|1,0,0]=3 8319 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,2,0,0,0,0|2,0,0]=4 8320 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [0,2,0,0,0,0|1,0,0]=3 8321 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [0,2,0,0,0,0|1,0,0]=3 8322 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [0,2,0,0,0,0|1,0,0]=3 8323 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [0,2,0,0,0,0|1,0,0]=3 8324 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,2,0,0,0,0|2,0,0]=4 8325 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,2,0,0,0,0|2,0,0]=4 8326 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,2,0,0,0,0|1,0,0]=3 8327 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,2,0,0,0,0|1,0,0]=3 8328 B13R1.532 CCC(=O)N(CC)c1ccccc1 11a_100000210013_100000210414 [0,2,0,0,0,0|2,0,0]=4 8329 B13R1.532 CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210414 [0,2,0,0,0,0|2,0,0]=4 8330 B13R1.532 CCC(=O)N(CC)c1ccccc1 22a_100000210013_100000210414 [0,2,0,0,0,0|2,0,0]=4 8331 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,0]=3 8332 B13R1.532 CCC(C(=O)CF)c1ccccc1 1458a_100000211302_100015361967 [0,2,0,0,0,0|2,0,0]=4 8333 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,2,0,0,0,0|1,0,0]=3 8334 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,2,0,0,0,0|1,0,0]=3 8335 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,2,0,0,0,0|1,0,0]=3 8336 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,2,0,0,0,0|1,0,0]=3 8337 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [0,2,0,0,0,0|1,0,0]=3 8338 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,2,0,0,0,0|1,0,0]=3 8339 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,2,0,0,0,0|1,0,0]=3 8340 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,2,0,0,0,0|1,0,0]=3 8341 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,2,0,0,0,0|1,0,0]=3 8342 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|1,0,0]=3 8343 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|1,0,0]=3 8344 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|1,0,0]=3 8345 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 8346 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 8347 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 8348 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [0,2,0,0,0,0|0,0,0]=2 8349 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [0,2,0,0,0,0|0,0,0]=2 8350 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [0,2,0,0,0,0|0,0,0]=2 8351 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|0,0,0]=2 8352 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [0,2,0,0,0,0|0,0,0]=2 8353 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [0,2,0,0,0,0|0,0,0]=2 8354 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [0,2,0,0,0,0|0,0,0]=2 8355 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [0,2,0,0,0,0|0,0,0]=2 8356 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|0,0,0]=2 8357 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|0,0,0]=2 8358 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,2,0,0,0,0|2,0,0]=4 8359 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,2,0,0,0,0|2,0,0]=4 8360 B13R1.532 O=C(CF)C(CO)c1ccccc1 1458a_100011218805_100015361967 [0,2,0,0,0,0|2,0,0]=4 8361 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,2,0,0,0,0|2,0,0]=4 8362 B13R1.696 C#CC(=O)C(C)c1ccccc1Cl 1458a_100000211873_100000181259 [0,2,0,0,0,0|1,0,1]=4 8363 B13R1.696 C#CC(=O)C(C)c1ccccc1F 1458a_100000211873_200000741388 [0,2,0,0,0,0|1,0,1]=4 8364 B13R1.696 C=CC(=O)C(C)c1ccccc1Cl 1458a_100000185746_100000181259 [0,2,0,0,0,0|1,0,1]=4 8365 B13R1.696 C=CC(=O)C(C)c1ccccc1F 1458a_100000185746_200000741388 [0,2,0,0,0,0|1,0,1]=4 8366 B13R1.696 CC(C(=O)CF)c1ccccc1Br 1458a_100012359601_100015361967 [0,2,0,0,0,0|2,0,0]=4 8367 B13R1.696 CC(C(=O)CF)c1ccccc1Cl 1458a_100011667492_100015361967 [0,2,0,0,0,0|2,0,0]=4 8368 B13R1.696 CC(C(=O)CO)c1ccccc1Cl 1458a_100000210174_100000181259 [0,2,0,0,0,0|2,0,0]=4 8369 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,2,0,0,0,0|2,0,0]=4 8370 B13R1.696 CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000210202 [0,2,0,0,0,0|1,0,0]=3 8371 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100000210414_100000181259 [0,2,0,0,0,0|1,0,0]=3 8372 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000210202 [0,2,0,0,0,0|1,0,0]=3 8373 B13R1.696 CCC(=O)C(C)c1ccccc1F 1458a_100000210414_200000741388 [0,2,0,0,0,0|1,0,0]=3 8374 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,2,0,0,0,0|1,0,0]=3 8375 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,2,0,0,0,0|1,0,0]=3 8376 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,2,0,0,0,0|1,0,0]=3 8377 B13R1.696 CCC(=O)N(C)c1ccccc1Br 11a_100020606079_100000210414 [0,2,0,0,0,0|2,0,0]=4 8378 B13R1.696 CCC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000210414 [0,2,0,0,0,0|2,0,0]=4 8379 B13R1.696 CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210414 [0,2,0,0,0,0|2,0,0]=4 8380 B13R1.696 CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210414 [0,2,0,0,0,0|2,0,0]=4 8381 B13R1.696 CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210414 [0,2,0,0,0,0|2,0,0]=4 8382 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210414 [0,2,0,0,0,0|2,0,0]=4 8383 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210414 [0,2,0,0,0,0|2,0,0]=4 8384 B13R1.696 CCC(=O)N(C)c1ccccc1F 11a_100000220357_100000210414 [0,2,0,0,0,0|2,0,0]=4 8385 B13R1.696 CCC(=O)N(C)c1ccccc1F 1626a_100000220357_100000210414 [0,2,0,0,0,0|2,0,0]=4 8386 B13R1.696 CCC(=O)N(C)c1ccccc1F 22a_100000220357_100000210414 [0,2,0,0,0,0|2,0,0]=4 8387 B13R1.696 CCC(=O)N(C)c1ccccc1O 22a_100000033821_100000210414 [0,2,0,0,0,0|2,0,0]=4 8388 B13R1.696 CCC(=O)N(C)c1ccccc1O 527a_100000033821_100000210414 [0,2,0,0,0,0|2,0,0]=4 8389 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,2,0,0,0,0|1,0,0]=3 8390 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,2,0,0,0,0|1,0,0]=3 8391 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,2,0,0,0,0|1,0,0]=3 8392 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,2,0,0,0,0|1,0,0]=3 8393 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,2,0,0,0,0|1,0,0]=3 8394 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,2,0,0,0,0|1,0,0]=3 8395 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,2,0,0,0,0|1,0,0]=3 8396 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,2,0,0,0,0|1,0,0]=3 8397 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|1,0,0]=3 8398 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|1,0,0]=3 8399 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|1,0,0]=3 8400 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,2,0,0,0,0|2,0,0]=4 8401 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,2,0,0,0,0|2,0,0]=4 8402 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,2,0,0,0,0|2,0,0]=4 8403 B13R1.696 COC(=O)C(=O)c1ccccc1O 271570a_203496583355_200010133017 [0,2,0,0,0,0|0,0,1]=3 8404 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,2,0,0,0,0|0,0,0]=2 8405 B13R1.696 O=C(CF)C(O)c1ccccc1Br 1458a_200011356456_100015361967 [0,2,0,0,0,0|2,0,0]=4 8406 B13R1.696 O=C(CF)C(O)c1ccccc1Cl 1458a_100011217820_100015361967 [0,2,0,0,0,0|2,0,0]=4 8407 B13R1.696 O=C(CF)C(O)c1ccccc1F 1458a_100011219519_100015361967 [0,2,0,0,0,0|2,0,0]=4 8408 B13R1.708 C#CC(=O)C(C)(C)c1ccccc1 1458a_100000211873_100000034625 [0,2,0,0,0,0|1,0,1]=4 8409 B13R1.708 C#CC(=O)C(F)(F)c1ccccc1 1458a_100000211873_100000036403 [0,2,0,0,0,0|1,0,1]=4 8410 B13R1.708 C=CC(=O)C(C)(C)c1ccccc1 1458a_100000185746_100000034625 [0,2,0,0,0,0|1,0,1]=4 8411 B13R1.708 C=CC(=O)C(F)(F)c1ccccc1 1458a_100000185746_100000036403 [0,2,0,0,0,0|1,0,1]=4 8412 B13R1.708 CC(C)(C(=O)CF)c1ccccc1 1458a_100000211857_100015361967 [0,2,0,0,0,0|2,0,0]=4 8413 B13R1.708 CC(C)(C(=O)CO)c1ccccc1 1458a_100000210174_100000034625 [0,2,0,0,0,0|2,0,0]=4 8414 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000210414_100000034625 [0,2,0,0,0,0|1,0,0]=3 8415 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210202 [0,2,0,0,0,0|1,0,0]=3 8416 B13R1.708 CCC(=O)C(F)(F)c1ccccc1 1458a_100000210414_100000036403 [0,2,0,0,0,0|1,0,0]=3 8417 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,2,0,0,0,0|1,0,0]=3 8418 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 11a_106832991635_100000211857 [0,2,0,0,0,0|1,0,0]=3 8419 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 1626a_100102657272_100000211857 [0,2,0,0,0,0|1,0,0]=3 8420 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 240690a_100102657272_100000211857 [0,2,0,0,0,0|1,0,0]=3 8421 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 527a_100102657272_100000211857 [0,2,0,0,0,0|1,0,0]=3 8422 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 11a_106832991635_100000182030 [0,2,0,0,0,0|1,0,0]=3 8423 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 1626a_100102657272_100000182030 [0,2,0,0,0,0|1,0,0]=3 8424 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 240690a_100102657272_100000182030 [0,2,0,0,0,0|1,0,0]=3 8425 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 527a_100102657272_100000182030 [0,2,0,0,0,0|1,0,0]=3 8426 B13R1.708 CNC(=O)C(F)(F)c1ccccn1 11a_106832991635_100000690563 [0,2,0,0,0,0|2,0,0]=4 8427 B13R1.708 CNC(=O)C(F)(F)c1ccccn1 1626a_100102657272_100000690563 [0,2,0,0,0,0|2,0,0]=4 8428 B13R1.708 CNC(=O)C(F)(F)c1ccccn1 527a_100102657272_100000690563 [0,2,0,0,0,0|2,0,0]=4 8429 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,2,0,0,0,0|1,0,0]=3 8430 B13R1.708 C[C@](O)(C(=O)CF)c1ccccc1 1458a_100000753667_100015361967 [0,2,0,0,0,0|2,0,0]=4 8431 B13R1.708 O=C(CO)C(F)(F)c1ccccc1 1458a_100000210174_100000036403 [0,2,0,0,0,0|2,0,0]=4 8432 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Br 1458a_100000185857_100000189115 [0,2,0,0,0,0|1,0,0]=3 8433 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)C 1458a_100000185857_100000210814 [0,2,0,0,0,0|1,0,0]=3 8434 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000185857_100000694040 [0,2,0,0,0,0|1,0,0]=3 8435 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)F 1458a_100000185857_100000198546 [0,2,0,0,0,0|1,0,0]=3 8436 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,2,0,0,0,0|1,0,0]=3 8437 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)Br 1458a_100000185857_100000702658 [0,2,0,0,0,0|2,0,0]=4 8438 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)C 1458a_100000185857_100000691093 [0,2,0,0,0,0|2,0,0]=4 8439 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)Cl 1458a_100000185857_100012066911 [0,2,0,0,0,0|2,0,0]=4 8440 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)F 1458a_100000185857_100000703193 [0,2,0,0,0,0|2,0,0]=4 8441 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)Br 1458a_100000185857_100009831999 [0,2,0,0,0,0|2,0,0]=4 8442 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)C 1458a_100000185857_100016987292 [0,2,0,0,0,0|2,0,0]=4 8443 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)Cl 1458a_100000185857_100000735431 [0,2,0,0,0,0|2,0,0]=4 8444 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)F 1458a_100000185857_100009820150 [0,2,0,0,0,0|2,0,0]=4 8445 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,2,0,0,0,0|2,0,0]=4 8446 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,2,0,0,0,0|2,0,0]=4 8447 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,2,0,0,0,0|2,0,0]=4 8448 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,2,0,0,0,0|2,0,0]=4 8449 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,2,0,0,0,0|2,0,0]=4 8450 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,2,0,0,0,0|2,0,0]=4 8451 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,2,0,0,0,0|2,0,0]=4 8452 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,2,0,0,0,0|2,0,0]=4 8453 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,2,0,0,0,0|2,0,0]=4 8454 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,2,0,0,0,0|2,0,0]=4 8455 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,2,0,0,0,0|2,0,0]=4 8456 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,2,0,0,0,0|2,0,0]=4 8457 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,2,0,0,0,0|2,0,0]=4 8458 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,2,0,0,0,0|2,0,0]=4 8459 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,2,0,0,0,0|2,0,0]=4 8460 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,2,0,0,0,0|2,0,0]=4 8461 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,2,0,0,0,0|2,0,0]=4 8462 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210206 [0,2,0,0,0,0|1,0,0]=3 8463 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000210198_100000189115 [0,2,0,0,0,0|1,0,0]=3 8464 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000210198_100000694040 [0,2,0,0,0,0|1,0,0]=3 8465 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210206 [0,2,0,0,0,0|1,0,0]=3 8466 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)F 1458a_100000210198_100000198546 [0,2,0,0,0,0|1,0,0]=3 8467 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210206 [0,2,0,0,0,0|1,0,0]=3 8468 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)I 1458a_100000210198_100000189116 [0,2,0,0,0,0|1,0,0]=3 8469 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210206 [0,2,0,0,0,0|1,0,0]=3 8470 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210206 [0,2,0,0,0,0|1,0,0]=3 8471 B13R1.133 CC(C)C(=O)Cc1ccc(cn1)Br 1458a_100000210198_100000702658 [0,2,0,0,0,0|2,0,0]=4 8472 B13R1.133 CC(C)C(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210206 [0,2,0,0,0,0|2,0,0]=4 8473 B13R1.133 CC(C)C(=O)Cc1ccc(cn1)Cl 1458a_100000210198_100012066911 [0,2,0,0,0,0|2,0,0]=4 8474 B13R1.133 CC(C)C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210206 [0,2,0,0,0,0|2,0,0]=4 8475 B13R1.133 CC(C)C(=O)Cc1ccc(cn1)F 1458a_100000210198_100000703193 [0,2,0,0,0,0|2,0,0]=4 8476 B13R1.133 CC(C)C(=O)Cc1ccc(nc1)Br 1458a_100000210198_100009831999 [0,2,0,0,0,0|2,0,0]=4 8477 B13R1.133 CC(C)C(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210206 [0,2,0,0,0,0|2,0,0]=4 8478 B13R1.133 CC(C)C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210206 [0,2,0,0,0,0|2,0,0]=4 8479 B13R1.133 CC(C)C(=O)Cc1ccc(nc1)Cl 1458a_100000210198_100000735431 [0,2,0,0,0,0|2,0,0]=4 8480 B13R1.133 CC(C)C(=O)Cc1ccc(nc1)F 1458a_100000210198_100009820150 [0,2,0,0,0,0|2,0,0]=4 8481 B13R1.133 CC(C)C(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210206 [0,2,0,0,0,0|2,0,0]=4 8482 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210198 [0,2,0,0,0,0|2,0,0]=4 8483 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210198 [0,2,0,0,0,0|2,0,0]=4 8484 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210198 [0,2,0,0,0,0|2,0,0]=4 8485 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210198 [0,2,0,0,0,0|2,0,0]=4 8486 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210198 [0,2,0,0,0,0|2,0,0]=4 8487 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210198 [0,2,0,0,0,0|2,0,0]=4 8488 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210198 [0,2,0,0,0,0|2,0,0]=4 8489 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210198 [0,2,0,0,0,0|2,0,0]=4 8490 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000210198 [0,2,0,0,0,0|2,0,0]=4 8491 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210198 [0,2,0,0,0,0|2,0,0]=4 8492 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000210198 [0,2,0,0,0,0|2,0,0]=4 8493 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)F 527a_100000185862_100000210198 [0,2,0,0,0,0|2,0,0]=4 8494 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000210198 [0,2,0,0,0,0|2,0,0]=4 8495 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210198 [0,2,0,0,0,0|2,0,0]=4 8496 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000210198 [0,2,0,0,0,0|2,0,0]=4 8497 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)I 527a_100000185761_100000210198 [0,2,0,0,0,0|2,0,0]=4 8498 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000210198 [0,2,0,0,0,0|2,0,0]=4 8499 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)O 271570a_203496583355_200000153573 [0,2,0,0,0,0|2,0,0]=4 8500 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)Br 1458a_100000062450_100000189115 [0,2,0,0,0,0|1,0,0]=3 8501 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)Cl 1458a_100000062450_100000694040 [0,2,0,0,0,0|1,0,0]=3 8502 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)F 1458a_100000062450_100000198546 [0,2,0,0,0,0|1,0,0]=3 8503 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)I 1458a_100000062450_100000189116 [0,2,0,0,0,0|1,0,0]=3 8504 B13R1.133 CC(F)C(=O)Cc1ccc(cn1)Br 1458a_100000062450_100000702658 [0,2,0,0,0,0|2,0,0]=4 8505 B13R1.133 CC(F)C(=O)Cc1ccc(cn1)Cl 1458a_100000062450_100012066911 [0,2,0,0,0,0|2,0,0]=4 8506 B13R1.133 CC(F)C(=O)Cc1ccc(cn1)F 1458a_100000062450_100000703193 [0,2,0,0,0,0|2,0,0]=4 8507 B13R1.133 CC(F)C(=O)Cc1ccc(nc1)Br 1458a_100000062450_100009831999 [0,2,0,0,0,0|2,0,0]=4 8508 B13R1.133 CC(F)C(=O)Cc1ccc(nc1)Cl 1458a_100000062450_100000735431 [0,2,0,0,0,0|2,0,0]=4 8509 B13R1.133 CC(F)C(=O)Cc1ccc(nc1)F 1458a_100000062450_100009820150 [0,2,0,0,0,0|2,0,0]=4 8510 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000062450 [0,2,0,0,0,0|2,0,0]=4 8511 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000062450 [0,2,0,0,0,0|2,0,0]=4 8512 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000062450 [0,2,0,0,0,0|2,0,0]=4 8513 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100000062450 [0,2,0,0,0,0|2,0,0]=4 8514 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000062450 [0,2,0,0,0,0|2,0,0]=4 8515 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000062450 [0,2,0,0,0,0|2,0,0]=4 8516 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000062450 [0,2,0,0,0,0|2,0,0]=4 8517 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000062450 [0,2,0,0,0,0|2,0,0]=4 8518 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000062450 [0,2,0,0,0,0|2,0,0]=4 8519 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000062450 [0,2,0,0,0,0|2,0,0]=4 8520 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000062450 [0,2,0,0,0,0|2,0,0]=4 8521 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)F 527a_100000185862_100000062450 [0,2,0,0,0,0|2,0,0]=4 8522 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000062450 [0,2,0,0,0,0|2,0,0]=4 8523 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000062450 [0,2,0,0,0,0|2,0,0]=4 8524 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000062450 [0,2,0,0,0,0|2,0,0]=4 8525 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)I 527a_100000185761_100000062450 [0,2,0,0,0,0|2,0,0]=4 8526 B13R1.133 CC(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000062450 [0,2,0,0,0,0|2,0,0]=4 8527 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 11a_100102631434_100000198978 [0,2,0,0,0,0|1,0,0]=3 8528 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 240690a_100102631434_100000198978 [0,2,0,0,0,0|1,0,0]=3 8529 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 527a_100102631434_100000198978 [0,2,0,0,0,0|1,0,0]=3 8530 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 11a_100102631434_100000211027 [0,2,0,0,0,0|1,0,0]=3 8531 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 240690a_100102631434_100000211027 [0,2,0,0,0,0|1,0,0]=3 8532 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 527a_100102631434_100000211027 [0,2,0,0,0,0|1,0,0]=3 8533 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 11a_100102631434_100000210951 [0,2,0,0,0,0|1,0,0]=3 8534 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 1626a_100102631434_100000210951 [0,2,0,0,0,0|1,0,0]=3 8535 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 240690a_100102631434_100000210951 [0,2,0,0,0,0|1,0,0]=3 8536 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 527a_100102631434_100000210951 [0,2,0,0,0,0|1,0,0]=3 8537 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 11a_100102631434_100000688869 [0,2,0,0,0,0|1,0,0]=3 8538 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 1626a_100102631434_100000688869 [0,2,0,0,0,0|1,0,0]=3 8539 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 240690a_100102631434_100000688869 [0,2,0,0,0,0|1,0,0]=3 8540 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 527a_100102631434_100000688869 [0,2,0,0,0,0|1,0,0]=3 8541 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 1626a_100102631434_100000198540 [0,2,0,0,0,0|1,0,0]=3 8542 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 240690a_100102631434_100000198540 [0,2,0,0,0,0|1,0,0]=3 8543 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 271570a_203496583355_100000159674 [0,2,0,0,0,0|1,0,0]=3 8544 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 527a_100102631434_100000198540 [0,2,0,0,0,0|1,0,0]=3 8545 B13R1.133 CN(C)C(=O)Cc1ccc(cn1)Br 11a_100102631434_100020629044 [0,2,0,0,0,0|2,0,0]=4 8546 B13R1.133 CN(C)C(=O)Cc1ccc(cn1)Br 240690a_100102631434_100020629044 [0,2,0,0,0,0|2,0,0]=4 8547 B13R1.133 CN(C)C(=O)Cc1ccc(cn1)Cl 11a_100102631434_100000728320 [0,2,0,0,0,0|2,0,0]=4 8548 B13R1.133 CN(C)C(=O)Cc1ccc(cn1)Cl 1626a_100102631434_100000728320 [0,2,0,0,0,0|2,0,0]=4 8549 B13R1.133 CN(C)C(=O)Cc1ccc(cn1)Cl 240690a_100102631434_100000728320 [0,2,0,0,0,0|2,0,0]=4 8550 B13R1.133 CN(C)C(=O)Cc1ccc(cn1)Cl 527a_100102631434_100000728320 [0,2,0,0,0,0|2,0,0]=4 8551 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Br 11a_100102631434_100010067268 [0,2,0,0,0,0|2,0,0]=4 8552 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Br 240690a_100102631434_100010067268 [0,2,0,0,0,0|2,0,0]=4 8553 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Br 527a_100102631434_100010067268 [0,2,0,0,0,0|2,0,0]=4 8554 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Cl 11a_100102631434_100000061944 [0,2,0,0,0,0|2,0,0]=4 8555 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Cl 1626a_100102631434_100000061944 [0,2,0,0,0,0|2,0,0]=4 8556 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Cl 240690a_100102631434_100000061944 [0,2,0,0,0,0|2,0,0]=4 8557 B13R1.133 CN(C)C(=O)Cc1ccc(nc1)Cl 527a_100102631434_100000061944 [0,2,0,0,0,0|2,0,0]=4 8558 B13R1.133 CN(C)C(=O)Cn1ccc(=O)cc1 11a_100102631434_200000238563 [0,2,0,0,0,0|2,0,0]=4 8559 B13R1.133 CN(C)C(=O)Cn1ccc(=O)cc1 1626a_100102631434_200000238563 [0,2,0,0,0,0|2,0,0]=4 8560 B13R1.133 CN(C)C(=O)Cn1ccc(=O)cc1 240690a_100102631434_200000238563 [0,2,0,0,0,0|2,0,0]=4 8561 B13R1.133 CN(C)C(=O)Cn1ccc(=O)cc1 527a_100102631434_200000238563 [0,2,0,0,0,0|2,0,0]=4 8562 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102631434 [0,2,0,0,0,0|2,0,0]=4 8563 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102631434 [0,2,0,0,0,0|2,0,0]=4 8564 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)F 2430a_100000185862_100102631434 [0,2,0,0,0,0|2,0,0]=4 8565 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)I 2430a_100000185761_100102631434 [0,2,0,0,0,0|2,0,0]=4 8566 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)O 2430a_100000185829_100102631434 [0,2,0,0,0,0|2,0,0]=4 8567 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Br 1458a_100000717761_100000189115 [0,2,0,0,0,0|1,0,0]=3 8568 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [0,2,0,0,0,0|1,0,0]=3 8569 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)F 1458a_100000717761_100000198546 [0,2,0,0,0,0|1,0,0]=3 8570 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)I 1458a_100000717761_100000189116 [0,2,0,0,0,0|1,0,0]=3 8571 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)Br 1458a_100000717761_100000702658 [0,2,0,0,0,0|2,0,0]=4 8572 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)Cl 1458a_100000717761_100012066911 [0,2,0,0,0,0|2,0,0]=4 8573 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)F 1458a_100000717761_100000703193 [0,2,0,0,0,0|2,0,0]=4 8574 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)Br 1458a_100000717761_100009831999 [0,2,0,0,0,0|2,0,0]=4 8575 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)Cl 1458a_100000717761_100000735431 [0,2,0,0,0,0|2,0,0]=4 8576 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)F 1458a_100000717761_100009820150 [0,2,0,0,0,0|2,0,0]=4 8577 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000717761 [0,2,0,0,0,0|2,0,0]=4 8578 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [0,2,0,0,0,0|2,0,0]=4 8579 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000717761 [0,2,0,0,0,0|2,0,0]=4 8580 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000717761 [0,2,0,0,0,0|2,0,0]=4 8581 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000717761 [0,2,0,0,0,0|2,0,0]=4 8582 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Br 1458a_217856618621_100000189115 [0,2,0,0,0,0|1,0,0]=3 8583 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [0,2,0,0,0,0|1,0,0]=3 8584 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)F 1458a_217856618621_100000198546 [0,2,0,0,0,0|1,0,0]=3 8585 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)I 1458a_217856618621_100000189116 [0,2,0,0,0,0|1,0,0]=3 8586 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)Br 1458a_217856618621_100000702658 [0,2,0,0,0,0|2,0,0]=4 8587 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)Cl 1458a_217856618621_100012066911 [0,2,0,0,0,0|2,0,0]=4 8588 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)F 1458a_217856618621_100000703193 [0,2,0,0,0,0|2,0,0]=4 8589 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)Br 1458a_217856618621_100009831999 [0,2,0,0,0,0|2,0,0]=4 8590 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)Cl 1458a_217856618621_100000735431 [0,2,0,0,0,0|2,0,0]=4 8591 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)F 1458a_217856618621_100009820150 [0,2,0,0,0,0|2,0,0]=4 8592 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_217856618621 [0,2,0,0,0,0|2,0,0]=4 8593 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_217856618621 [0,2,0,0,0,0|2,0,0]=4 8594 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [0,2,0,0,0,0|2,0,0]=4 8595 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [0,2,0,0,0,0|2,0,0]=4 8596 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_217856618621 [0,2,0,0,0,0|2,0,0]=4 8597 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_217856618621 [0,2,0,0,0,0|2,0,0]=4 8598 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_217856618621 [0,2,0,0,0,0|2,0,0]=4 8599 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_217856618621 [0,2,0,0,0,0|2,0,0]=4 8600 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_217856618621 [0,2,0,0,0,0|2,0,0]=4 8601 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)C 1458a_100000210198_100000210814 [0,2,0,0,0,0|1,0,0]=3 8602 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)C 1458a_100000212244_100000210206 [0,2,0,0,0,0|1,0,0]=3 8603 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)F 1458a_100000062450_100000210814 [0,2,0,0,0,0|1,0,0]=3 8604 B13R1.133 Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000210814 [0,2,0,0,0,0|2,0,0]=4 8605 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 11a_100102631434_100000212244 [0,2,0,0,0,0|1,0,0]=3 8606 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 240690a_100102631434_100000212244 [0,2,0,0,0,0|1,0,0]=3 8607 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 527a_100102631434_100000212244 [0,2,0,0,0,0|1,0,0]=3 8608 B13R1.133 Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000210814 [0,2,0,0,0,0|1,0,0]=3 8609 B13R1.133 Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000210814 [0,2,0,0,0,0|1,0,0]=3 8610 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,2,0,0,0,0|2,0,0]=4 8611 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)C 11a_100000124888_100000210198 [0,2,0,0,0,0|2,0,0]=4 8612 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)C 1626a_100000124888_100000210198 [0,2,0,0,0,0|2,0,0]=4 8613 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)C 22a_100000124888_100000210198 [0,2,0,0,0,0|2,0,0]=4 8614 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)C 527a_100000124888_100000210198 [0,2,0,0,0,0|2,0,0]=4 8615 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)F 11a_100000124888_100000062450 [0,2,0,0,0,0|2,0,0]=4 8616 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)F 1626a_100000124888_100000062450 [0,2,0,0,0,0|2,0,0]=4 8617 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)F 22a_100000124888_100000062450 [0,2,0,0,0,0|2,0,0]=4 8618 B13R1.133 Cc1ccc(cc1)NC(=O)C(C)F 527a_100000124888_100000062450 [0,2,0,0,0,0|2,0,0]=4 8619 B13R1.133 Cc1ccc(cc1)NC(=O)N(C)C 2430a_100000124888_100102631434 [0,2,0,0,0,0|2,0,0]=4 8620 B13R1.133 Cc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000124888_100000717761 [0,2,0,0,0,0|2,0,0]=4 8621 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000124888_217856618621 [0,2,0,0,0,0|2,0,0]=4 8622 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000124888_217856618621 [0,2,0,0,0,0|2,0,0]=4 8623 B13R1.133 Cc1ccc(cn1)CC(=O)C(C)C 1458a_100000210198_100016987292 [0,2,0,0,0,0|2,0,0]=4 8624 B13R1.133 Cc1ccc(cn1)CC(=O)C(C)C 1458a_100000740413_100000210206 [0,2,0,0,0,0|2,0,0]=4 8625 B13R1.133 Cc1ccc(cn1)CC(=O)C(C)F 1458a_100000062450_100016987292 [0,2,0,0,0,0|2,0,0]=4 8626 B13R1.133 Cc1ccc(cn1)CC(=O)N(C)C 11a_100102631434_100000740413 [0,2,0,0,0,0|2,0,0]=4 8627 B13R1.133 Cc1ccc(cn1)CC(=O)N(C)C 1626a_100102631434_100000740413 [0,2,0,0,0,0|2,0,0]=4 8628 B13R1.133 Cc1ccc(cn1)CC(=O)N(C)C 240690a_100102631434_100000740413 [0,2,0,0,0,0|2,0,0]=4 8629 B13R1.133 Cc1ccc(cn1)CC(=O)N(C)C 527a_100102631434_100000740413 [0,2,0,0,0,0|2,0,0]=4 8630 B13R1.133 Cc1ccc(cn1)CC(=O)[C@@H](C)O 1458a_100000717761_100016987292 [0,2,0,0,0,0|2,0,0]=4 8631 B13R1.133 Cc1ccc(cn1)CC(=O)[C@H](C)O 1458a_217856618621_100016987292 [0,2,0,0,0,0|2,0,0]=4 8632 B13R1.133 Cc1ccc(nc1)CC(=O)C(C)C 1458a_100000210198_100000691093 [0,2,0,0,0,0|2,0,0]=4 8633 B13R1.133 Cc1ccc(nc1)CC(=O)C(C)C 1458a_100025705728_100000210206 [0,2,0,0,0,0|2,0,0]=4 8634 B13R1.133 Cc1ccc(nc1)CC(=O)C(C)F 1458a_100000062450_100000691093 [0,2,0,0,0,0|2,0,0]=4 8635 B13R1.133 Cc1ccc(nc1)CC(=O)N(C)C 11a_100102631434_100025705728 [0,2,0,0,0,0|2,0,0]=4 8636 B13R1.133 Cc1ccc(nc1)CC(=O)N(C)C 1626a_100102631434_100025705728 [0,2,0,0,0,0|2,0,0]=4 8637 B13R1.133 Cc1ccc(nc1)CC(=O)N(C)C 240690a_100102631434_100025705728 [0,2,0,0,0,0|2,0,0]=4 8638 B13R1.133 Cc1ccc(nc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000691093 [0,2,0,0,0,0|2,0,0]=4 8639 B13R1.133 Cc1ccc(nc1)CC(=O)[C@H](C)O 1458a_217856618621_100000691093 [0,2,0,0,0,0|2,0,0]=4 8640 B13R1.133 O=C(Cc1ccc(cc1)Br)C(O)O 1458a_100000233687_100000189115 [0,2,0,0,0,0|2,0,0]=4 8641 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [0,2,0,0,0,0|2,0,0]=4 8642 B13R1.133 O=C(Cc1ccc(cc1)F)C(O)O 1458a_100000233687_100000198546 [0,2,0,0,0,0|2,0,0]=4 8643 B13R1.133 O=C(Cc1ccc(cc1)I)C(O)O 1458a_100000233687_100000189116 [0,2,0,0,0,0|2,0,0]=4 8644 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)Br 1458a_100000185857_100010173614 [0,2,0,0,0,0|2,0,0]=4 8645 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)C 1458a_100000185857_100000718516 [0,2,0,0,0,0|2,0,0]=4 8646 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)Cl 1458a_100000185857_100016988179 [0,2,0,0,0,0|2,0,0]=4 8647 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Br 1458a_100000185857_100000211773 [0,2,0,0,0,0|1,0,0]=3 8648 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,2,0,0,0,0|1,0,0]=3 8649 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Cl 1458a_100000185857_100000181238 [0,2,0,0,0,0|1,0,0]=3 8650 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)F 1458a_100000185857_100000230114 [0,2,0,0,0,0|1,0,0]=3 8651 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)I 1458a_100000185857_100011218688 [0,2,0,0,0,0|1,0,0]=3 8652 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,2,0,0,0,0|1,0,0]=3 8653 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)Br 1458a_100000185857_100009889011 [0,2,0,0,0,0|2,0,0]=4 8654 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)C 1458a_100000185857_100000757606 [0,2,0,0,0,0|2,0,0]=4 8655 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)Cl 1458a_100000185857_100000086093 [0,2,0,0,0,0|2,0,0]=4 8656 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)F 1458a_100000185857_100009819644 [0,2,0,0,0,0|2,0,0]=4 8657 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)Br 1458a_100000185857_100010243470 [0,2,0,0,0,0|2,0,0]=4 8658 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)C 1458a_100000185857_200020672517 [0,2,0,0,0,0|2,0,0]=4 8659 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)Cl 1458a_100000185857_100000764220 [0,2,0,0,0,0|2,0,0]=4 8660 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)Br 1458a_100000185857_100011740620 [0,2,0,0,0,0|2,0,0]=4 8661 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)C 1458a_100000185857_100000716715 [0,2,0,0,0,0|2,0,0]=4 8662 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)Cl 1458a_100000185857_100016992070 [0,2,0,0,0,0|2,0,0]=4 8663 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)F 1458a_100000185857_100000725299 [0,2,0,0,0,0|2,0,0]=4 8664 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,2,0,0,0,0|2,0,0]=4 8665 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,2,0,0,0,0|2,0,0]=4 8666 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,2,0,0,0,0|2,0,0]=4 8667 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,2,0,0,0,0|2,0,0]=4 8668 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,2,0,0,0,0|2,0,0]=4 8669 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,2,0,0,0,0|2,0,0]=4 8670 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,2,0,0,0,0|2,0,0]=4 8671 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,2,0,0,0,0|2,0,0]=4 8672 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,2,0,0,0,0|2,0,0]=4 8673 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,2,0,0,0,0|2,0,0]=4 8674 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,2,0,0,0,0|2,0,0]=4 8675 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,2,0,0,0,0|2,0,0]=4 8676 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,2,0,0,0,0|2,0,0]=4 8677 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,2,0,0,0,0|2,0,0]=4 8678 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,2,0,0,0,0|2,0,0]=4 8679 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,2,0,0,0,0|2,0,0]=4 8680 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,2,0,0,0,0|2,0,0]=4 8681 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,2,0,0,0,0|2,0,0]=4 8682 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,2,0,0,0,0|2,0,0]=4 8683 B13R1.148 CC(C)C(=O)Cc1cc(ccn1)Br 1458a_100000210198_100010173614 [0,2,0,0,0,0|2,0,0]=4 8684 B13R1.148 CC(C)C(=O)Cc1cc(ccn1)Cl 1458a_100000210198_100016988179 [0,2,0,0,0,0|2,0,0]=4 8685 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Br 1458a_100000210198_100000211773 [0,2,0,0,0,0|1,0,0]=3 8686 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210206 [0,2,0,0,0,0|1,0,0]=3 8687 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000210198_100000181238 [0,2,0,0,0,0|1,0,0]=3 8688 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210206 [0,2,0,0,0,0|1,0,0]=3 8689 B13R1.148 CC(C)C(=O)Cc1cccc(c1)F 1458a_100000210198_100000230114 [0,2,0,0,0,0|1,0,0]=3 8690 B13R1.148 CC(C)C(=O)Cc1cccc(c1)F 1458a_100000211661_100000210206 [0,2,0,0,0,0|1,0,0]=3 8691 B13R1.148 CC(C)C(=O)Cc1cccc(c1)I 1458a_100000210198_100011218688 [0,2,0,0,0,0|1,0,0]=3 8692 B13R1.148 CC(C)C(=O)Cc1cccc(c1)I 1458a_100000238430_100000210206 [0,2,0,0,0,0|1,0,0]=3 8693 B13R1.148 CC(C)C(=O)Cc1cccc(c1)O 1458a_100000210198_100011660834 [0,2,0,0,0,0|1,0,0]=3 8694 B13R1.148 CC(C)C(=O)Cc1cccc(c1)O 1458a_100000745134_100000210206 [0,2,0,0,0,0|1,0,0]=3 8695 B13R1.148 CC(C)C(=O)Cc1cccc(n1)Br 1458a_100000210198_100009889011 [0,2,0,0,0,0|2,0,0]=4 8696 B13R1.148 CC(C)C(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210206 [0,2,0,0,0,0|2,0,0]=4 8697 B13R1.148 CC(C)C(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210206 [0,2,0,0,0,0|2,0,0]=4 8698 B13R1.148 CC(C)C(=O)Cc1cccc(n1)Cl 1458a_100000210198_100000086093 [0,2,0,0,0,0|2,0,0]=4 8699 B13R1.148 CC(C)C(=O)Cc1cccc(n1)F 1458a_100000096803_100000210206 [0,2,0,0,0,0|2,0,0]=4 8700 B13R1.148 CC(C)C(=O)Cc1cccc(n1)F 1458a_100000210198_100009819644 [0,2,0,0,0,0|2,0,0]=4 8701 B13R1.148 CC(C)C(=O)Cc1ccnc(c1)Br 1458a_100000210198_100010243470 [0,2,0,0,0,0|2,0,0]=4 8702 B13R1.148 CC(C)C(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210206 [0,2,0,0,0,0|2,0,0]=4 8703 B13R1.148 CC(C)C(=O)Cc1ccnc(c1)Cl 1458a_100000210198_100000764220 [0,2,0,0,0,0|2,0,0]=4 8704 B13R1.148 CC(C)C(=O)Cc1cncc(c1)Br 1458a_100000210198_100011740620 [0,2,0,0,0,0|2,0,0]=4 8705 B13R1.148 CC(C)C(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210206 [0,2,0,0,0,0|2,0,0]=4 8706 B13R1.148 CC(C)C(=O)Cc1cncc(c1)Cl 1458a_100000210198_100016992070 [0,2,0,0,0,0|2,0,0]=4 8707 B13R1.148 CC(C)C(=O)Cc1cncc(c1)F 1458a_100000210198_100000725299 [0,2,0,0,0,0|2,0,0]=4 8708 B13R1.148 CC(C)C(=O)Cc1cncc(c1)F 1458a_100011667516_100000210206 [0,2,0,0,0,0|2,0,0]=4 8709 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000210198 [0,2,0,0,0,0|2,0,0]=4 8710 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210198 [0,2,0,0,0,0|2,0,0]=4 8711 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000210198 [0,2,0,0,0,0|2,0,0]=4 8712 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Br 527a_100000210019_100000210198 [0,2,0,0,0,0|2,0,0]=4 8713 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210198 [0,2,0,0,0,0|2,0,0]=4 8714 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210198 [0,2,0,0,0,0|2,0,0]=4 8715 B13R1.148 CC(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210198 [0,2,0,0,0,0|2,0,0]=4 8716 B13R1.148 CC(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8717 B13R1.148 CC(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8718 B13R1.148 CC(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8719 B13R1.148 CC(C)C(=O)Nc1cccc(c1)F 527a_100000210047_100000210198 [0,2,0,0,0,0|2,0,0]=4 8720 B13R1.148 CC(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000210198 [0,2,0,0,0,0|2,0,0]=4 8721 B13R1.148 CC(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000210198 [0,2,0,0,0,0|2,0,0]=4 8722 B13R1.148 CC(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000210198 [0,2,0,0,0,0|2,0,0]=4 8723 B13R1.148 CC(C)C(=O)Nc1cccc(c1)I 527a_100000211102_100000210198 [0,2,0,0,0,0|2,0,0]=4 8724 B13R1.148 CC(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000210198 [0,2,0,0,0,0|2,0,0]=4 8725 B13R1.148 CC(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000210198 [0,2,0,0,0,0|2,0,0]=4 8726 B13R1.148 CC(C)C(=O)Nc1cccc(c1)O 271570a_203496583355_200000153619 [0,2,0,0,0,0|2,0,0]=4 8727 B13R1.148 CC(C)C(=O)Nc1cccc(c1)O 527a_100000210217_100000210198 [0,2,0,0,0,0|2,0,0]=4 8728 B13R1.148 CC(F)C(=O)Cc1cc(ccn1)Br 1458a_100000062450_100010173614 [0,2,0,0,0,0|2,0,0]=4 8729 B13R1.148 CC(F)C(=O)Cc1cc(ccn1)Cl 1458a_100000062450_100016988179 [0,2,0,0,0,0|2,0,0]=4 8730 B13R1.148 CC(F)C(=O)Cc1cccc(c1)Br 1458a_100000062450_100000211773 [0,2,0,0,0,0|1,0,0]=3 8731 B13R1.148 CC(F)C(=O)Cc1cccc(c1)Cl 1458a_100000062450_100000181238 [0,2,0,0,0,0|1,0,0]=3 8732 B13R1.148 CC(F)C(=O)Cc1cccc(c1)F 1458a_100000062450_100000230114 [0,2,0,0,0,0|1,0,0]=3 8733 B13R1.148 CC(F)C(=O)Cc1cccc(c1)I 1458a_100000062450_100011218688 [0,2,0,0,0,0|1,0,0]=3 8734 B13R1.148 CC(F)C(=O)Cc1cccc(c1)O 1458a_100000062450_100011660834 [0,2,0,0,0,0|1,0,0]=3 8735 B13R1.148 CC(F)C(=O)Cc1cccc(n1)Br 1458a_100000062450_100009889011 [0,2,0,0,0,0|2,0,0]=4 8736 B13R1.148 CC(F)C(=O)Cc1cccc(n1)Cl 1458a_100000062450_100000086093 [0,2,0,0,0,0|2,0,0]=4 8737 B13R1.148 CC(F)C(=O)Cc1cccc(n1)F 1458a_100000062450_100009819644 [0,2,0,0,0,0|2,0,0]=4 8738 B13R1.148 CC(F)C(=O)Cc1ccnc(c1)Br 1458a_100000062450_100010243470 [0,2,0,0,0,0|2,0,0]=4 8739 B13R1.148 CC(F)C(=O)Cc1ccnc(c1)Cl 1458a_100000062450_100000764220 [0,2,0,0,0,0|2,0,0]=4 8740 B13R1.148 CC(F)C(=O)Cc1cncc(c1)Br 1458a_100000062450_100011740620 [0,2,0,0,0,0|2,0,0]=4 8741 B13R1.148 CC(F)C(=O)Cc1cncc(c1)Cl 1458a_100000062450_100016992070 [0,2,0,0,0,0|2,0,0]=4 8742 B13R1.148 CC(F)C(=O)Cc1cncc(c1)F 1458a_100000062450_100000725299 [0,2,0,0,0,0|2,0,0]=4 8743 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000062450 [0,2,0,0,0,0|2,0,0]=4 8744 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000062450 [0,2,0,0,0,0|2,0,0]=4 8745 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000062450 [0,2,0,0,0,0|2,0,0]=4 8746 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Br 527a_100000210019_100000062450 [0,2,0,0,0,0|2,0,0]=4 8747 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000062450 [0,2,0,0,0,0|2,0,0]=4 8748 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000062450 [0,2,0,0,0,0|2,0,0]=4 8749 B13R1.148 CC(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000062450 [0,2,0,0,0,0|2,0,0]=4 8750 B13R1.148 CC(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000062450 [0,2,0,0,0,0|2,0,0]=4 8751 B13R1.148 CC(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000062450 [0,2,0,0,0,0|2,0,0]=4 8752 B13R1.148 CC(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000062450 [0,2,0,0,0,0|2,0,0]=4 8753 B13R1.148 CC(F)C(=O)Nc1cccc(c1)F 527a_100000210047_100000062450 [0,2,0,0,0,0|2,0,0]=4 8754 B13R1.148 CC(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000062450 [0,2,0,0,0,0|2,0,0]=4 8755 B13R1.148 CC(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000062450 [0,2,0,0,0,0|2,0,0]=4 8756 B13R1.148 CC(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000062450 [0,2,0,0,0,0|2,0,0]=4 8757 B13R1.148 CC(F)C(=O)Nc1cccc(c1)I 527a_100000211102_100000062450 [0,2,0,0,0,0|2,0,0]=4 8758 B13R1.148 CC(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000062450 [0,2,0,0,0,0|2,0,0]=4 8759 B13R1.148 CC(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000062450 [0,2,0,0,0,0|2,0,0]=4 8760 B13R1.148 CC(F)C(=O)Nc1cccc(c1)O 527a_100000210217_100000062450 [0,2,0,0,0,0|2,0,0]=4 8761 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 11a_100102631434_100000747190 [0,2,0,0,0,0|1,0,0]=3 8762 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 240690a_100102631434_100000747190 [0,2,0,0,0,0|1,0,0]=3 8763 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 527a_100102631434_100000747190 [0,2,0,0,0,0|1,0,0]=3 8764 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 11a_100102631434_100000749307 [0,2,0,0,0,0|1,0,0]=3 8765 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 1626a_100102631434_100000749307 [0,2,0,0,0,0|1,0,0]=3 8766 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 240690a_100102631434_100000749307 [0,2,0,0,0,0|1,0,0]=3 8767 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 527a_100102631434_100000749307 [0,2,0,0,0,0|1,0,0]=3 8768 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 11a_100102631434_100000211661 [0,2,0,0,0,0|1,0,0]=3 8769 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 1626a_100102631434_100000211661 [0,2,0,0,0,0|1,0,0]=3 8770 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 240690a_100102631434_100000211661 [0,2,0,0,0,0|1,0,0]=3 8771 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 527a_100102631434_100000211661 [0,2,0,0,0,0|1,0,0]=3 8772 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 11a_100102631434_100000238430 [0,2,0,0,0,0|1,0,0]=3 8773 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 1626a_100102631434_100000238430 [0,2,0,0,0,0|1,0,0]=3 8774 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 240690a_100102631434_100000238430 [0,2,0,0,0,0|1,0,0]=3 8775 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 527a_100102631434_100000238430 [0,2,0,0,0,0|1,0,0]=3 8776 B13R1.148 CN(C)C(=O)Cc1cccc(c1)O 240690a_100102631434_100000745134 [0,2,0,0,0,0|1,0,0]=3 8777 B13R1.148 CN(C)C(=O)Cc1cccc(c1)O 527a_100102631434_100000745134 [0,2,0,0,0,0|1,0,0]=3 8778 B13R1.148 CN(C)C(=O)Cc1cccc(n1)Br 11a_100102631434_100010201708 [0,2,0,0,0,0|2,0,0]=4 8779 B13R1.148 CN(C)C(=O)Cc1cccc(n1)Br 240690a_100102631434_100010201708 [0,2,0,0,0,0|2,0,0]=4 8780 B13R1.148 CN(C)C(=O)Cc1cccc(n1)Br 527a_100102631434_100010201708 [0,2,0,0,0,0|2,0,0]=4 8781 B13R1.148 CN(C)C(=O)Cc1cccc(n1)Cl 11a_100102631434_100000090259 [0,2,0,0,0,0|2,0,0]=4 8782 B13R1.148 CN(C)C(=O)Cc1cccc(n1)Cl 1626a_100102631434_100000090259 [0,2,0,0,0,0|2,0,0]=4 8783 B13R1.148 CN(C)C(=O)Cc1cccc(n1)Cl 240690a_100102631434_100000090259 [0,2,0,0,0,0|2,0,0]=4 8784 B13R1.148 CN(C)C(=O)Cc1cccc(n1)F 11a_100102631434_100000096803 [0,2,0,0,0,0|2,0,0]=4 8785 B13R1.148 CN(C)C(=O)Cc1cccc(n1)F 1626a_100102631434_100000096803 [0,2,0,0,0,0|2,0,0]=4 8786 B13R1.148 CN(C)C(=O)Cc1cccc(n1)F 240690a_100102631434_100000096803 [0,2,0,0,0,0|2,0,0]=4 8787 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Br 11a_100102631434_100010126891 [0,2,0,0,0,0|2,0,0]=4 8788 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Br 240690a_100102631434_100010126891 [0,2,0,0,0,0|2,0,0]=4 8789 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Br 527a_100102631434_100010126891 [0,2,0,0,0,0|2,0,0]=4 8790 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Cl 11a_100102631434_100000085289 [0,2,0,0,0,0|2,0,0]=4 8791 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Cl 1626a_100102631434_100000085289 [0,2,0,0,0,0|2,0,0]=4 8792 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Cl 240690a_100102631434_100000085289 [0,2,0,0,0,0|2,0,0]=4 8793 B13R1.148 CN(C)C(=O)Cc1ccnc(c1)Cl 527a_100102631434_100000085289 [0,2,0,0,0,0|2,0,0]=4 8794 B13R1.148 CN(C)C(=O)Cc1cncc(c1)Br 11a_100102631434_100000239331 [0,2,0,0,0,0|2,0,0]=4 8795 B13R1.148 CN(C)C(=O)Cc1cncc(c1)Br 240690a_100102631434_100000239331 [0,2,0,0,0,0|2,0,0]=4 8796 B13R1.148 CN(C)C(=O)Cc1cncc(c1)Br 527a_100102631434_100000239331 [0,2,0,0,0,0|2,0,0]=4 8797 B13R1.148 CN(C)C(=O)Cc1cncc(c1)F 11a_100102631434_100011667516 [0,2,0,0,0,0|2,0,0]=4 8798 B13R1.148 CN(C)C(=O)Cc1cncc(c1)F 240690a_100102631434_100011667516 [0,2,0,0,0,0|2,0,0]=4 8799 B13R1.148 CN(C)C(=O)Cc1cncc(c1)F 527a_100102631434_100011667516 [0,2,0,0,0,0|2,0,0]=4 8800 B13R1.148 CN(C)C(=O)Nc1cccc(c1)Br 2430a_100000210019_100102631434 [0,2,0,0,0,0|2,0,0]=4 8801 B13R1.148 CN(C)C(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102631434 [0,2,0,0,0,0|2,0,0]=4 8802 B13R1.148 CN(C)C(=O)Nc1cccc(c1)F 2430a_100000210047_100102631434 [0,2,0,0,0,0|2,0,0]=4 8803 B13R1.148 CN(C)C(=O)Nc1cccc(c1)I 2430a_100000211102_100102631434 [0,2,0,0,0,0|2,0,0]=4 8804 B13R1.148 CN(C)C(=O)Nc1cccc(c1)O 2430a_100000210217_100102631434 [0,2,0,0,0,0|2,0,0]=4 8805 B13R1.148 C[C@@H](O)C(=O)Cc1cc(ccn1)Br 1458a_100000717761_100010173614 [0,2,0,0,0,0|2,0,0]=4 8806 B13R1.148 C[C@@H](O)C(=O)Cc1cc(ccn1)Cl 1458a_100000717761_100016988179 [0,2,0,0,0,0|2,0,0]=4 8807 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Br 1458a_100000717761_100000211773 [0,2,0,0,0,0|1,0,0]=3 8808 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Cl 1458a_100000717761_100000181238 [0,2,0,0,0,0|1,0,0]=3 8809 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)F 1458a_100000717761_100000230114 [0,2,0,0,0,0|1,0,0]=3 8810 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)I 1458a_100000717761_100011218688 [0,2,0,0,0,0|1,0,0]=3 8811 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)O 1458a_100000717761_100011660834 [0,2,0,0,0,0|1,0,0]=3 8812 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)Br 1458a_100000717761_100009889011 [0,2,0,0,0,0|2,0,0]=4 8813 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)Cl 1458a_100000717761_100000086093 [0,2,0,0,0,0|2,0,0]=4 8814 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)F 1458a_100000717761_100009819644 [0,2,0,0,0,0|2,0,0]=4 8815 B13R1.148 C[C@@H](O)C(=O)Cc1ccnc(c1)Br 1458a_100000717761_100010243470 [0,2,0,0,0,0|2,0,0]=4 8816 B13R1.148 C[C@@H](O)C(=O)Cc1ccnc(c1)Cl 1458a_100000717761_100000764220 [0,2,0,0,0,0|2,0,0]=4 8817 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)Br 1458a_100000717761_100011740620 [0,2,0,0,0,0|2,0,0]=4 8818 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)Cl 1458a_100000717761_100016992070 [0,2,0,0,0,0|2,0,0]=4 8819 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)F 1458a_100000717761_100000725299 [0,2,0,0,0,0|2,0,0]=4 8820 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000717761 [0,2,0,0,0,0|2,0,0]=4 8821 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000717761 [0,2,0,0,0,0|2,0,0]=4 8822 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_100000717761 [0,2,0,0,0,0|2,0,0]=4 8823 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_100000717761 [0,2,0,0,0,0|2,0,0]=4 8824 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_100000717761 [0,2,0,0,0,0|2,0,0]=4 8825 B13R1.148 C[C@H](O)C(=O)Cc1cc(ccn1)Br 1458a_217856618621_100010173614 [0,2,0,0,0,0|2,0,0]=4 8826 B13R1.148 C[C@H](O)C(=O)Cc1cc(ccn1)Cl 1458a_217856618621_100016988179 [0,2,0,0,0,0|2,0,0]=4 8827 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Br 1458a_217856618621_100000211773 [0,2,0,0,0,0|1,0,0]=3 8828 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Cl 1458a_217856618621_100000181238 [0,2,0,0,0,0|1,0,0]=3 8829 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)F 1458a_217856618621_100000230114 [0,2,0,0,0,0|1,0,0]=3 8830 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)I 1458a_217856618621_100011218688 [0,2,0,0,0,0|1,0,0]=3 8831 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)O 1458a_217856618621_100011660834 [0,2,0,0,0,0|1,0,0]=3 8832 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)Br 1458a_217856618621_100009889011 [0,2,0,0,0,0|2,0,0]=4 8833 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)Cl 1458a_217856618621_100000086093 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)F 1458a_217856618621_100009819644 [0,2,0,0,0,0|2,0,0]=4 8835 B13R1.148 C[C@H](O)C(=O)Cc1ccnc(c1)Br 1458a_217856618621_100010243470 [0,2,0,0,0,0|2,0,0]=4 8836 B13R1.148 C[C@H](O)C(=O)Cc1ccnc(c1)Cl 1458a_217856618621_100000764220 [0,2,0,0,0,0|2,0,0]=4 8837 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)Br 1458a_217856618621_100011740620 [0,2,0,0,0,0|2,0,0]=4 8838 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)Cl 1458a_217856618621_100016992070 [0,2,0,0,0,0|2,0,0]=4 8839 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)F 1458a_217856618621_100000725299 [0,2,0,0,0,0|2,0,0]=4 8840 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_217856618621 [0,2,0,0,0,0|2,0,0]=4 8841 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_217856618621 [0,2,0,0,0,0|2,0,0]=4 8842 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_217856618621 [0,2,0,0,0,0|2,0,0]=4 8843 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_217856618621 [0,2,0,0,0,0|2,0,0]=4 8844 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 1626a_100000210047_217856618621 [0,2,0,0,0,0|2,0,0]=4 8845 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_217856618621 [0,2,0,0,0,0|2,0,0]=4 8846 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 1626a_100000211102_217856618621 [0,2,0,0,0,0|2,0,0]=4 8847 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_217856618621 [0,2,0,0,0,0|2,0,0]=4 8848 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 1626a_100000210217_217856618621 [0,2,0,0,0,0|2,0,0]=4 8849 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_217856618621 [0,2,0,0,0,0|2,0,0]=4 8850 B13R1.148 Cc1cc(ccn1)CC(=O)C(C)C 1458a_100000210198_200020672517 [0,2,0,0,0,0|2,0,0]=4 8851 B13R1.148 Cc1cc(ccn1)CC(=O)C(C)F 1458a_100000062450_200020672517 [0,2,0,0,0,0|2,0,0]=4 8852 B13R1.148 Cc1cc(ccn1)CC(=O)[C@@H](C)O 1458a_100000717761_200020672517 [0,2,0,0,0,0|2,0,0]=4 8853 B13R1.148 Cc1cc(ccn1)CC(=O)[C@H](C)O 1458a_217856618621_200020672517 [0,2,0,0,0,0|2,0,0]=4 8854 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100000210198_100000211840 [0,2,0,0,0,0|1,0,0]=3 8855 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100011206899_100000210206 [0,2,0,0,0,0|1,0,0]=3 8856 B13R1.148 Cc1cccc(c1)CC(=O)C(C)F 1458a_100000062450_100000211840 [0,2,0,0,0,0|1,0,0]=3 8857 B13R1.148 Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211840 [0,2,0,0,0,0|2,0,0]=4 8858 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 11a_100102631434_100011206899 [0,2,0,0,0,0|1,0,0]=3 8859 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 1626a_100102631434_100011206899 [0,2,0,0,0,0|1,0,0]=3 8860 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 240690a_100102631434_100011206899 [0,2,0,0,0,0|1,0,0]=3 8861 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 527a_100102631434_100011206899 [0,2,0,0,0,0|1,0,0]=3 8862 B13R1.148 Cc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211840 [0,2,0,0,0,0|1,0,0]=3 8863 B13R1.148 Cc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211840 [0,2,0,0,0,0|1,0,0]=3 8864 B13R1.148 Cc1cccc(c1)NC(=O)C(C)C 11a_100000188690_100000210198 [0,2,0,0,0,0|2,0,0]=4 8865 B13R1.148 Cc1cccc(c1)NC(=O)C(C)C 1626a_100000188690_100000210198 [0,2,0,0,0,0|2,0,0]=4 8866 B13R1.148 Cc1cccc(c1)NC(=O)C(C)C 22a_100000188690_100000210198 [0,2,0,0,0,0|2,0,0]=4 8867 B13R1.148 Cc1cccc(c1)NC(=O)C(C)C 527a_100000188690_100000210198 [0,2,0,0,0,0|2,0,0]=4 8868 B13R1.148 Cc1cccc(c1)NC(=O)C(C)F 11a_100000188690_100000062450 [0,2,0,0,0,0|2,0,0]=4 8869 B13R1.148 Cc1cccc(c1)NC(=O)C(C)F 1626a_100000188690_100000062450 [0,2,0,0,0,0|2,0,0]=4 8870 B13R1.148 Cc1cccc(c1)NC(=O)C(C)F 22a_100000188690_100000062450 [0,2,0,0,0,0|2,0,0]=4 8871 B13R1.148 Cc1cccc(c1)NC(=O)C(C)F 527a_100000188690_100000062450 [0,2,0,0,0,0|2,0,0]=4 8872 B13R1.148 Cc1cccc(c1)NC(=O)N(C)C 2430a_100000188690_100102631434 [0,2,0,0,0,0|2,0,0]=4 8873 B13R1.148 Cc1cccc(c1)NC(=O)[C@@H](C)O 22a_100000188690_100000717761 [0,2,0,0,0,0|2,0,0]=4 8874 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 1626a_100000188690_217856618621 [0,2,0,0,0,0|2,0,0]=4 8875 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 22a_100000188690_217856618621 [0,2,0,0,0,0|2,0,0]=4 8876 B13R1.148 Cc1cccc(n1)CC(=O)C(C)C 1458a_100000210198_100000757606 [0,2,0,0,0,0|2,0,0]=4 8877 B13R1.148 Cc1cccc(n1)CC(=O)C(C)C 1458a_100012001110_100000210206 [0,2,0,0,0,0|2,0,0]=4 8878 B13R1.148 Cc1cccc(n1)CC(=O)C(C)F 1458a_100000062450_100000757606 [0,2,0,0,0,0|2,0,0]=4 8879 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 11a_100102631434_100012001110 [0,2,0,0,0,0|2,0,0]=4 8880 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 1626a_100102631434_100012001110 [0,2,0,0,0,0|2,0,0]=4 8881 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 240690a_100102631434_100012001110 [0,2,0,0,0,0|2,0,0]=4 8882 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 527a_100102631434_100012001110 [0,2,0,0,0,0|2,0,0]=4 8883 B13R1.148 Cc1cccc(n1)CC(=O)[C@@H](C)O 1458a_100000717761_100000757606 [0,2,0,0,0,0|2,0,0]=4 8884 B13R1.148 Cc1cccc(n1)CC(=O)[C@H](C)O 1458a_217856618621_100000757606 [0,2,0,0,0,0|2,0,0]=4 8885 B13R1.148 Cc1ccnc(c1)CC(=O)C(C)C 1458a_100000210198_100000718516 [0,2,0,0,0,0|2,0,0]=4 8886 B13R1.148 Cc1ccnc(c1)CC(=O)C(C)F 1458a_100000062450_100000718516 [0,2,0,0,0,0|2,0,0]=4 8887 B13R1.148 Cc1ccnc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000718516 [0,2,0,0,0,0|2,0,0]=4 8888 B13R1.148 Cc1ccnc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000718516 [0,2,0,0,0,0|2,0,0]=4 8889 B13R1.148 Cc1cncc(c1)CC(=O)C(C)C 1458a_100000210198_100000716715 [0,2,0,0,0,0|2,0,0]=4 8890 B13R1.148 Cc1cncc(c1)CC(=O)C(C)F 1458a_100000062450_100000716715 [0,2,0,0,0,0|2,0,0]=4 8891 B13R1.148 Cc1cncc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000716715 [0,2,0,0,0,0|2,0,0]=4 8892 B13R1.148 Cc1cncc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000716715 [0,2,0,0,0,0|2,0,0]=4 8893 B13R1.148 O=C(Cc1cccc(c1)Br)C(O)O 1458a_100000233687_100000211773 [0,2,0,0,0,0|2,0,0]=4 8894 B13R1.148 O=C(Cc1cccc(c1)Cl)C(O)O 1458a_100000233687_100000181238 [0,2,0,0,0,0|2,0,0]=4 8895 B13R1.148 O=C(Cc1cccc(c1)F)C(O)O 1458a_100000233687_100000230114 [0,2,0,0,0,0|2,0,0]=4 8896 B13R1.148 O=C(Cc1cccc(c1)I)C(O)O 1458a_100000233687_100011218688 [0,2,0,0,0,0|2,0,0]=4 8897 B13R1.148 O=C(Cc1cccc(c1)O)C(O)O 1458a_100000233687_100011660834 [0,2,0,0,0,0|2,0,0]=4 8898 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,2,0,0,0,0|2,0,0]=4 8899 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,2,0,0,0,0|2,0,0]=4 8900 B13R1.202 C=C(C)C(=O)Cc1ccccc1Br 1458a_100000185857_100000184730 [0,2,0,0,0,0|1,0,0]=3 8901 B13R1.202 C=C(C)C(=O)Cc1ccccc1C 1458a_100000185857_100000211839 [0,2,0,0,0,0|1,0,0]=3 8902 B13R1.202 C=C(C)C(=O)Cc1ccccc1Cl 1458a_100000185857_100000187162 [0,2,0,0,0,0|1,0,0]=3 8903 B13R1.202 C=C(C)C(=O)Cc1ccccc1F 1458a_100000185857_100000187165 [0,2,0,0,0,0|1,0,0]=3 8904 B13R1.202 C=C(C)C(=O)Cc1ccccc1I 1458a_100000185857_100011216222 [0,2,0,0,0,0|1,0,0]=3 8905 B13R1.202 C=C(C)C(=O)Cc1cccnc1Br 1458a_100000185857_100010140945 [0,2,0,0,0,0|2,0,0]=4 8906 B13R1.202 C=C(C)C(=O)Cc1cccnc1C 1458a_100000185857_100000732876 [0,2,0,0,0,0|2,0,0]=4 8907 B13R1.202 C=C(C)C(=O)Cc1cccnc1Cl 1458a_100000185857_100000045678 [0,2,0,0,0,0|2,0,0]=4 8908 B13R1.202 C=C(C)C(=O)Cc1cccnc1F 1458a_100000185857_100000099810 [0,2,0,0,0,0|2,0,0]=4 8909 B13R1.202 C=C(C)C(=O)Cc1ccncc1C 1458a_100000185857_100020672808 [0,2,0,0,0,0|2,0,0]=4 8910 B13R1.202 C=C(C)C(=O)Cc1ccncc1Cl 1458a_100000185857_100000763264 [0,2,0,0,0,0|2,0,0]=4 8911 B13R1.202 C=C(C)C(=O)Cc1cnccc1C 1458a_100000185857_100000690890 [0,2,0,0,0,0|2,0,0]=4 8912 B13R1.202 C=C(C)C(=O)Cc1ncccc1Br 1458a_100000185857_100025702911 [0,2,0,0,0,0|2,0,0]=4 8913 B13R1.202 C=C(C)C(=O)Cc1ncccc1C 1458a_100000185857_100000696600 [0,2,0,0,0,0|2,0,0]=4 8914 B13R1.202 C=C(C)C(=O)Cc1ncccc1Cl 1458a_100000185857_100000099807 [0,2,0,0,0,0|2,0,0]=4 8915 B13R1.202 C=C(C)C(=O)Cc1ncccc1F 1458a_100000185857_100000104219 [0,2,0,0,0,0|2,0,0]=4 8916 B13R1.202 C=C(C)C(=O)Cc1ncccc1O 1458a_100000185857_200020655725 [0,2,0,0,0,0|2,0,0]=4 8917 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,2,0,0,0,0|2,0,0]=4 8918 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,2,0,0,0,0|2,0,0]=4 8919 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,2,0,0,0,0|2,0,0]=4 8920 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,2,0,0,0,0|2,0,0]=4 8921 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,2,0,0,0,0|2,0,0]=4 8922 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,2,0,0,0,0|2,0,0]=4 8923 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,2,0,0,0,0|2,0,0]=4 8924 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,2,0,0,0,0|2,0,0]=4 8925 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,2,0,0,0,0|2,0,0]=4 8926 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,2,0,0,0,0|2,0,0]=4 8927 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,2,0,0,0,0|2,0,0]=4 8928 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,2,0,0,0,0|2,0,0]=4 8929 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,2,0,0,0,0|2,0,0]=4 8930 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,2,0,0,0,0|2,0,0]=4 8931 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,2,0,0,0,0|2,0,0]=4 8932 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,2,0,0,0,0|2,0,0]=4 8933 B13R1.202 CC(C)C(=O)Cc1ccccc1Br 1458a_100000210198_100000184730 [0,2,0,0,0,0|1,0,0]=3 8934 B13R1.202 CC(C)C(=O)Cc1ccccc1Br 1458a_100000751119_100000210206 [0,2,0,0,0,0|1,0,0]=3 8935 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000183793_100000210206 [0,2,0,0,0,0|1,0,0]=3 8936 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000210198_100000187162 [0,2,0,0,0,0|1,0,0]=3 8937 B13R1.202 CC(C)C(=O)Cc1ccccc1F 1458a_100000210198_100000187165 [0,2,0,0,0,0|1,0,0]=3 8938 B13R1.202 CC(C)C(=O)Cc1ccccc1F 1458a_100000212012_100000210206 [0,2,0,0,0,0|1,0,0]=3 8939 B13R1.202 CC(C)C(=O)Cc1ccccc1I 1458a_100000036491_100000210206 [0,2,0,0,0,0|1,0,0]=3 8940 B13R1.202 CC(C)C(=O)Cc1ccccc1I 1458a_100000210198_100011216222 [0,2,0,0,0,0|1,0,0]=3 8941 B13R1.202 CC(C)C(=O)Cc1ccccc1O 1458a_100000743006_100000210206 [0,2,0,0,0,0|1,0,0]=3 8942 B13R1.202 CC(C)C(=O)Cc1cccnc1Br 1458a_100000210198_100010140945 [0,2,0,0,0,0|2,0,0]=4 8943 B13R1.202 CC(C)C(=O)Cc1cccnc1Cl 1458a_100000093521_100000210206 [0,2,0,0,0,0|2,0,0]=4 8944 B13R1.202 CC(C)C(=O)Cc1cccnc1Cl 1458a_100000210198_100000045678 [0,2,0,0,0,0|2,0,0]=4 8945 B13R1.202 CC(C)C(=O)Cc1cccnc1F 1458a_100000210198_100000099810 [0,2,0,0,0,0|2,0,0]=4 8946 B13R1.202 CC(C)C(=O)Cc1ccncc1Cl 1458a_100000210198_100000763264 [0,2,0,0,0,0|2,0,0]=4 8947 B13R1.202 CC(C)C(=O)Cc1ncccc1Br 1458a_100000210198_100025702911 [0,2,0,0,0,0|2,0,0]=4 8948 B13R1.202 CC(C)C(=O)Cc1ncccc1Br 1458a_200012357574_100000210206 [0,2,0,0,0,0|2,0,0]=4 8949 B13R1.202 CC(C)C(=O)Cc1ncccc1Cl 1458a_100000210198_100000099807 [0,2,0,0,0,0|2,0,0]=4 8950 B13R1.202 CC(C)C(=O)Cc1ncccc1Cl 1458a_100011998755_100000210206 [0,2,0,0,0,0|2,0,0]=4 8951 B13R1.202 CC(C)C(=O)Cc1ncccc1F 1458a_100000210198_100000104219 [0,2,0,0,0,0|2,0,0]=4 8952 B13R1.202 CC(C)C(=O)Cc1ncccc1O 1458a_100000210198_200020655725 [0,2,0,0,0,0|2,0,0]=4 8953 B13R1.202 CC(C)C(=O)Cn1ccccc1=O 1458a_100000189665_100000210206 [0,2,0,0,0,0|2,0,0]=4 8954 B13R1.202 CC(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000210198 [0,2,0,0,0,0|2,0,0]=4 8955 B13R1.202 CC(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000210198 [0,2,0,0,0,0|2,0,0]=4 8956 B13R1.202 CC(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000210198 [0,2,0,0,0,0|2,0,0]=4 8957 B13R1.202 CC(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000210198 [0,2,0,0,0,0|2,0,0]=4 8958 B13R1.202 CC(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000210198 [0,2,0,0,0,0|2,0,0]=4 8959 B13R1.202 CC(C)C(=O)Nc1ccccc1Cl 527a_100000185783_100000210198 [0,2,0,0,0,0|2,0,0]=4 8960 B13R1.202 CC(C)C(=O)Nc1ccccc1F 11a_100000210422_100000210198 [0,2,0,0,0,0|2,0,0]=4 8961 B13R1.202 CC(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000210198 [0,2,0,0,0,0|2,0,0]=4 8962 B13R1.202 CC(C)C(=O)Nc1ccccc1F 22a_100000210422_100000210198 [0,2,0,0,0,0|2,0,0]=4 8963 B13R1.202 CC(C)C(=O)Nc1ccccc1F 527a_100000210422_100000210198 [0,2,0,0,0,0|2,0,0]=4 8964 B13R1.202 CC(C)C(=O)Nc1ccccc1I 11a_100000210053_100000210198 [0,2,0,0,0,0|2,0,0]=4 8965 B13R1.202 CC(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000210198 [0,2,0,0,0,0|2,0,0]=4 8966 B13R1.202 CC(C)C(=O)Nc1ccccc1O 22a_100000185747_100000210198 [0,2,0,0,0,0|2,0,0]=4 8967 B13R1.202 CC(C)C(=O)Nc1ccccc1O 527a_100000185747_100000210198 [0,2,0,0,0,0|2,0,0]=4 8968 B13R1.202 CC(F)C(=O)Cc1ccccc1Br 1458a_100000062450_100000184730 [0,2,0,0,0,0|1,0,0]=3 8969 B13R1.202 CC(F)C(=O)Cc1ccccc1Cl 1458a_100000062450_100000187162 [0,2,0,0,0,0|1,0,0]=3 8970 B13R1.202 CC(F)C(=O)Cc1ccccc1F 1458a_100000062450_100000187165 [0,2,0,0,0,0|1,0,0]=3 8971 B13R1.202 CC(F)C(=O)Cc1ccccc1I 1458a_100000062450_100011216222 [0,2,0,0,0,0|1,0,0]=3 8972 B13R1.202 CC(F)C(=O)Cc1cccnc1Br 1458a_100000062450_100010140945 [0,2,0,0,0,0|2,0,0]=4 8973 B13R1.202 CC(F)C(=O)Cc1cccnc1Cl 1458a_100000062450_100000045678 [0,2,0,0,0,0|2,0,0]=4 8974 B13R1.202 CC(F)C(=O)Cc1cccnc1F 1458a_100000062450_100000099810 [0,2,0,0,0,0|2,0,0]=4 8975 B13R1.202 CC(F)C(=O)Cc1ccncc1Cl 1458a_100000062450_100000763264 [0,2,0,0,0,0|2,0,0]=4 8976 B13R1.202 CC(F)C(=O)Cc1ncccc1Br 1458a_100000062450_100025702911 [0,2,0,0,0,0|2,0,0]=4 8977 B13R1.202 CC(F)C(=O)Cc1ncccc1Cl 1458a_100000062450_100000099807 [0,2,0,0,0,0|2,0,0]=4 8978 B13R1.202 CC(F)C(=O)Cc1ncccc1F 1458a_100000062450_100000104219 [0,2,0,0,0,0|2,0,0]=4 8979 B13R1.202 CC(F)C(=O)Cc1ncccc1O 1458a_100000062450_200020655725 [0,2,0,0,0,0|2,0,0]=4 8980 B13R1.202 CC(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000062450 [0,2,0,0,0,0|2,0,0]=4 8981 B13R1.202 CC(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000062450 [0,2,0,0,0,0|2,0,0]=4 8982 B13R1.202 CC(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000062450 [0,2,0,0,0,0|2,0,0]=4 8983 B13R1.202 CC(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000062450 [0,2,0,0,0,0|2,0,0]=4 8984 B13R1.202 CC(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000062450 [0,2,0,0,0,0|2,0,0]=4 8985 B13R1.202 CC(F)C(=O)Nc1ccccc1Cl 527a_100000185783_100000062450 [0,2,0,0,0,0|2,0,0]=4 8986 B13R1.202 CC(F)C(=O)Nc1ccccc1F 11a_100000210422_100000062450 [0,2,0,0,0,0|2,0,0]=4 8987 B13R1.202 CC(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000062450 [0,2,0,0,0,0|2,0,0]=4 8988 B13R1.202 CC(F)C(=O)Nc1ccccc1F 22a_100000210422_100000062450 [0,2,0,0,0,0|2,0,0]=4 8989 B13R1.202 CC(F)C(=O)Nc1ccccc1F 527a_100000210422_100000062450 [0,2,0,0,0,0|2,0,0]=4 8990 B13R1.202 CC(F)C(=O)Nc1ccccc1I 11a_100000210053_100000062450 [0,2,0,0,0,0|2,0,0]=4 8991 B13R1.202 CC(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000062450 [0,2,0,0,0,0|2,0,0]=4 8992 B13R1.202 CC(F)C(=O)Nc1ccccc1O 22a_100000185747_100000062450 [0,2,0,0,0,0|2,0,0]=4 8993 B13R1.202 CC(F)C(=O)Nc1ccccc1O 527a_100000185747_100000062450 [0,2,0,0,0,0|2,0,0]=4 8994 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 11a_100102631434_100000751119 [0,2,0,0,0,0|1,0,0]=3 8995 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 240690a_100102631434_100000751119 [0,2,0,0,0,0|1,0,0]=3 8996 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 527a_100102631434_100000751119 [0,2,0,0,0,0|1,0,0]=3 8997 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 11a_100102631434_100000183793 [0,2,0,0,0,0|1,0,0]=3 8998 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 1626a_100102631434_100000183793 [0,2,0,0,0,0|1,0,0]=3 8999 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 240690a_100102631434_100000183793 [0,2,0,0,0,0|1,0,0]=3 9000 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 527a_100102631434_100000183793 [0,2,0,0,0,0|1,0,0]=3 9001 B13R1.202 CN(C)C(=O)Cc1ccccc1F 11a_100102631434_100000212012 [0,2,0,0,0,0|1,0,0]=3 9002 B13R1.202 CN(C)C(=O)Cc1ccccc1F 1626a_100102631434_100000212012 [0,2,0,0,0,0|1,0,0]=3 9003 B13R1.202 CN(C)C(=O)Cc1ccccc1F 240690a_100102631434_100000212012 [0,2,0,0,0,0|1,0,0]=3 9004 B13R1.202 CN(C)C(=O)Cc1ccccc1F 527a_100102631434_100000212012 [0,2,0,0,0,0|1,0,0]=3 9005 B13R1.202 CN(C)C(=O)Cc1ccccc1I 11a_100102631434_100000036491 [0,2,0,0,0,0|1,0,0]=3 9006 B13R1.202 CN(C)C(=O)Cc1ccccc1I 1626a_100102631434_100000036491 [0,2,0,0,0,0|1,0,0]=3 9007 B13R1.202 CN(C)C(=O)Cc1ccccc1I 240690a_100102631434_100000036491 [0,2,0,0,0,0|1,0,0]=3 9008 B13R1.202 CN(C)C(=O)Cc1ccccc1I 527a_100102631434_100000036491 [0,2,0,0,0,0|1,0,0]=3 9009 B13R1.202 CN(C)C(=O)Cc1ccccc1O 240690a_100102631434_100000743006 [0,2,0,0,0,0|1,0,0]=3 9010 B13R1.202 CN(C)C(=O)Cc1ccccc1O 271570a_203496583355_200009816159 [0,2,0,0,0,0|1,0,0]=3 9011 B13R1.202 CN(C)C(=O)Cc1ccccc1O 527a_100102631434_100000743006 [0,2,0,0,0,0|1,0,0]=3 9012 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 11a_100102631434_100000093521 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 1626a_100102631434_100000093521 [0,2,0,0,0,0|2,0,0]=4 9014 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 240690a_100102631434_100000093521 [0,2,0,0,0,0|2,0,0]=4 9015 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 527a_100102631434_100000093521 [0,2,0,0,0,0|2,0,0]=4 9016 B13R1.202 CN(C)C(=O)Cc1ncccc1Br 11a_100102631434_200012357574 [0,2,0,0,0,0|2,0,0]=4 9017 B13R1.202 CN(C)C(=O)Cc1ncccc1Br 240690a_100102631434_200012357574 [0,2,0,0,0,0|2,0,0]=4 9018 B13R1.202 CN(C)C(=O)Cc1ncccc1Cl 11a_100102631434_100011998755 [0,2,0,0,0,0|2,0,0]=4 9019 B13R1.202 CN(C)C(=O)Cc1ncccc1Cl 240690a_100102631434_100011998755 [0,2,0,0,0,0|2,0,0]=4 9020 B13R1.202 CN(C)C(=O)Cc1ncccc1Cl 527a_100102631434_100011998755 [0,2,0,0,0,0|2,0,0]=4 9021 B13R1.202 CN(C)C(=O)Cn1ccccc1=O 1626a_100102631434_100000189665 [0,2,0,0,0,0|2,0,0]=4 9022 B13R1.202 CN(C)C(=O)Cn1ccccc1=O 240690a_100102631434_100000189665 [0,2,0,0,0,0|2,0,0]=4 9023 B13R1.202 CN(C)C(=O)Cn1ccccc1=O 527a_100102631434_100000189665 [0,2,0,0,0,0|2,0,0]=4 9024 B13R1.202 CN(C)C(=O)Nc1ccccc1Br 2430a_100000210017_100102631434 [0,2,0,0,0,0|2,0,0]=4 9025 B13R1.202 CN(C)C(=O)Nc1ccccc1Cl 2430a_100000185783_100102631434 [0,2,0,0,0,0|2,0,0]=4 9026 B13R1.202 CN(C)C(=O)Nc1ccccc1F 2430a_100000210422_100102631434 [0,2,0,0,0,0|2,0,0]=4 9027 B13R1.202 CN(C)C(=O)Nc1ccccc1I 2430a_100000210053_100102631434 [0,2,0,0,0,0|2,0,0]=4 9028 B13R1.202 CN(C)C(=O)Nc1ccccc1O 2430a_100000185747_100102631434 [0,2,0,0,0,0|2,0,0]=4 9029 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Br 1458a_100000717761_100000184730 [0,2,0,0,0,0|1,0,0]=3 9030 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,2,0,0,0,0|1,0,0]=3 9031 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,2,0,0,0,0|1,0,0]=3 9032 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1I 1458a_100000717761_100011216222 [0,2,0,0,0,0|1,0,0]=3 9033 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1Br 1458a_100000717761_100010140945 [0,2,0,0,0,0|2,0,0]=4 9034 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1Cl 1458a_100000717761_100000045678 [0,2,0,0,0,0|2,0,0]=4 9035 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1F 1458a_100000717761_100000099810 [0,2,0,0,0,0|2,0,0]=4 9036 B13R1.202 C[C@@H](O)C(=O)Cc1ccncc1Cl 1458a_100000717761_100000763264 [0,2,0,0,0,0|2,0,0]=4 9037 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1Br 1458a_100000717761_100025702911 [0,2,0,0,0,0|2,0,0]=4 9038 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1Cl 1458a_100000717761_100000099807 [0,2,0,0,0,0|2,0,0]=4 9039 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1F 1458a_100000717761_100000104219 [0,2,0,0,0,0|2,0,0]=4 9040 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1O 1458a_100000717761_200020655725 [0,2,0,0,0,0|2,0,0]=4 9041 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,2,0,0,0,0|2,0,0]=4 9042 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,2,0,0,0,0|2,0,0]=4 9043 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,2,0,0,0,0|2,0,0]=4 9044 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Br 1458a_217856618621_100000184730 [0,2,0,0,0,0|1,0,0]=3 9045 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,2,0,0,0,0|1,0,0]=3 9046 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,2,0,0,0,0|1,0,0]=3 9047 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1I 1458a_217856618621_100011216222 [0,2,0,0,0,0|1,0,0]=3 9048 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1Br 1458a_217856618621_100010140945 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1Cl 1458a_217856618621_100000045678 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1F 1458a_217856618621_100000099810 [0,2,0,0,0,0|2,0,0]=4 9051 B13R1.202 C[C@H](O)C(=O)Cc1ccncc1Cl 1458a_217856618621_100000763264 [0,2,0,0,0,0|2,0,0]=4 9052 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1Br 1458a_217856618621_100025702911 [0,2,0,0,0,0|2,0,0]=4 9053 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1Cl 1458a_217856618621_100000099807 [0,2,0,0,0,0|2,0,0]=4 9054 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1F 1458a_217856618621_100000104219 [0,2,0,0,0,0|2,0,0]=4 9055 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1O 1458a_217856618621_200020655725 [0,2,0,0,0,0|2,0,0]=4 9056 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,2,0,0,0,0|2,0,0]=4 9058 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,2,0,0,0,0|2,0,0]=4 9059 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,2,0,0,0,0|2,0,0]=4 9060 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,2,0,0,0,0|2,0,0]=4 9061 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,2,0,0,0,0|2,0,0]=4 9062 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,2,0,0,0,0|2,0,0]=4 9063 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000211839 [0,2,0,0,0,0|1,0,0]=3 9064 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000212180_100000210206 [0,2,0,0,0,0|1,0,0]=3 9065 B13R1.202 Cc1ccccc1CC(=O)C(C)F 1458a_100000062450_100000211839 [0,2,0,0,0,0|1,0,0]=3 9066 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,2,0,0,0,0|2,0,0]=4 9067 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,2,0,0,0,0|1,0,0]=3 9068 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,2,0,0,0,0|1,0,0]=3 9069 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,2,0,0,0,0|1,0,0]=3 9070 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,2,0,0,0,0|1,0,0]=3 9071 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,2,0,0,0,0|1,0,0]=3 9072 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,2,0,0,0,0|1,0,0]=3 9073 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.202 Cc1ccccc1NC(=O)C(C)C 11a_100015192222_100000210198 [0,2,0,0,0,0|2,0,0]=4 9075 B13R1.202 Cc1ccccc1NC(=O)C(C)C 1626a_100015192222_100000210198 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.202 Cc1ccccc1NC(=O)C(C)C 22a_100015192222_100000210198 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.202 Cc1ccccc1NC(=O)C(C)C 527a_100015192222_100000210198 [0,2,0,0,0,0|2,0,0]=4 9078 B13R1.202 Cc1ccccc1NC(=O)C(C)F 11a_100015192222_100000062450 [0,2,0,0,0,0|2,0,0]=4 9079 B13R1.202 Cc1ccccc1NC(=O)C(C)F 1626a_100015192222_100000062450 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.202 Cc1ccccc1NC(=O)C(C)F 22a_100015192222_100000062450 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.202 Cc1ccccc1NC(=O)C(C)F 527a_100015192222_100000062450 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.202 Cc1ccccc1NC(=O)N(C)C 2430a_100015192222_100102631434 [0,2,0,0,0,0|2,0,0]=4 9083 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,2,0,0,0,0|2,0,0]=4 9084 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,2,0,0,0,0|2,0,0]=4 9085 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.202 Cc1cccnc1CC(=O)C(C)C 1458a_100000210198_100000696600 [0,2,0,0,0,0|2,0,0]=4 9087 B13R1.202 Cc1cccnc1CC(=O)C(C)C 1458a_200000722269_100000210206 [0,2,0,0,0,0|2,0,0]=4 9088 B13R1.202 Cc1cccnc1CC(=O)C(C)F 1458a_100000062450_100000696600 [0,2,0,0,0,0|2,0,0]=4 9089 B13R1.202 Cc1cccnc1CC(=O)N(C)C 11a_100102631434_200000722269 [0,2,0,0,0,0|2,0,0]=4 9090 B13R1.202 Cc1cccnc1CC(=O)N(C)C 1626a_100102631434_200000722269 [0,2,0,0,0,0|2,0,0]=4 9091 B13R1.202 Cc1cccnc1CC(=O)N(C)C 240690a_100102631434_200000722269 [0,2,0,0,0,0|2,0,0]=4 9092 B13R1.202 Cc1cccnc1CC(=O)[C@@H](C)O 1458a_100000717761_100000696600 [0,2,0,0,0,0|2,0,0]=4 9093 B13R1.202 Cc1cccnc1CC(=O)[C@H](C)O 1458a_217856618621_100000696600 [0,2,0,0,0,0|2,0,0]=4 9094 B13R1.202 Cc1ccncc1CC(=O)C(C)C 1458a_100000210198_100000690890 [0,2,0,0,0,0|2,0,0]=4 9095 B13R1.202 Cc1ccncc1CC(=O)C(C)F 1458a_100000062450_100000690890 [0,2,0,0,0,0|2,0,0]=4 9096 B13R1.202 Cc1ccncc1CC(=O)[C@@H](C)O 1458a_100000717761_100000690890 [0,2,0,0,0,0|2,0,0]=4 9097 B13R1.202 Cc1ccncc1CC(=O)[C@H](C)O 1458a_217856618621_100000690890 [0,2,0,0,0,0|2,0,0]=4 9098 B13R1.202 Cc1cnccc1CC(=O)C(C)C 1458a_100000210198_100020672808 [0,2,0,0,0,0|2,0,0]=4 9099 B13R1.202 Cc1cnccc1CC(=O)C(C)F 1458a_100000062450_100020672808 [0,2,0,0,0,0|2,0,0]=4 9100 B13R1.202 Cc1cnccc1CC(=O)[C@@H](C)O 1458a_100000717761_100020672808 [0,2,0,0,0,0|2,0,0]=4 9101 B13R1.202 Cc1cnccc1CC(=O)[C@H](C)O 1458a_217856618621_100020672808 [0,2,0,0,0,0|2,0,0]=4 9102 B13R1.202 Cc1ncccc1CC(=O)C(C)C 1458a_100000210198_100000732876 [0,2,0,0,0,0|2,0,0]=4 9103 B13R1.202 Cc1ncccc1CC(=O)C(C)F 1458a_100000062450_100000732876 [0,2,0,0,0,0|2,0,0]=4 9104 B13R1.202 Cc1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000732876 [0,2,0,0,0,0|2,0,0]=4 9105 B13R1.202 Cc1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100000732876 [0,2,0,0,0,0|2,0,0]=4 9106 B13R1.202 O=C(Cc1ccccc1Br)C(O)O 1458a_100000233687_100000184730 [0,2,0,0,0,0|2,0,0]=4 9107 B13R1.202 O=C(Cc1ccccc1Cl)C(O)O 1458a_100000233687_100000187162 [0,2,0,0,0,0|2,0,0]=4 9108 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,2,0,0,0,0|2,0,0]=4 9109 B13R1.202 O=C(Cc1ccccc1I)C(O)O 1458a_100000233687_100011216222 [0,2,0,0,0,0|2,0,0]=4 9110 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.353 CC(C)(C)C(=O)Cc1ccccc1 1458a_106744555173_100015291786 [0,2,0,0,0,0|1,0,0]=3 9112 B13R1.353 CC(C)(C)C(=O)Cc1ccccn1 1458a_106744555173_100000721315 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.353 CC(C)(C)C(=O)Cc1cccnc1 1458a_106744555173_100000733263 [0,2,0,0,0,0|2,0,0]=4 9114 B13R1.353 CC(C)(C)C(=O)Cc1ccncc1 1458a_106744555173_100000705612 [0,2,0,0,0,0|2,0,0]=4 9115 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 11a_100000106764_106744555173 [0,2,0,0,0,0|2,0,0]=4 9116 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 1626a_100000106764_106744555173 [0,2,0,0,0,0|2,0,0]=4 9117 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 22a_100000106764_106744555173 [0,2,0,0,0,0|2,0,0]=4 9118 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 527a_100000106764_106744555173 [0,2,0,0,0,0|2,0,0]=4 9119 B13R1.353 CC(C)(F)C(=O)Cc1ccccc1 1458a_100000765255_100015291786 [0,2,0,0,0,0|1,0,0]=3 9120 B13R1.353 CC(C)(F)C(=O)Cc1ccccn1 1458a_100000765255_100000721315 [0,2,0,0,0,0|2,0,0]=4 9121 B13R1.353 CC(C)(F)C(=O)Cc1cccnc1 1458a_100000765255_100000733263 [0,2,0,0,0,0|2,0,0]=4 9122 B13R1.353 CC(C)(F)C(=O)Cc1ccncc1 1458a_100000765255_100000705612 [0,2,0,0,0,0|2,0,0]=4 9123 B13R1.353 CC(C)(F)C(=O)Nc1ccccc1 11a_100000106764_100000765255 [0,2,0,0,0,0|2,0,0]=4 9124 B13R1.353 CC(C)(F)C(=O)Nc1ccccc1 1626a_100000106764_100000765255 [0,2,0,0,0,0|2,0,0]=4 9125 B13R1.353 CC(C)(F)C(=O)Nc1ccccc1 22a_100000106764_100000765255 [0,2,0,0,0,0|2,0,0]=4 9126 B13R1.353 CC(C)(F)C(=O)Nc1ccccc1 527a_100000106764_100000765255 [0,2,0,0,0,0|2,0,0]=4 9127 B13R1.353 CC(C)(O)C(=O)Cc1ccccc1 1458a_100000242741_100015291786 [0,2,0,0,0,0|1,0,0]=3 9128 B13R1.353 CC(C)(O)C(=O)Cc1ccccn1 1458a_100000242741_100000721315 [0,2,0,0,0,0|2,0,0]=4 9129 B13R1.353 CC(C)(O)C(=O)Cc1cccnc1 1458a_100000242741_100000733263 [0,2,0,0,0,0|2,0,0]=4 9130 B13R1.353 CC(C)(O)C(=O)Cc1ccncc1 1458a_100000242741_100000705612 [0,2,0,0,0,0|2,0,0]=4 9131 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 22a_100000106764_100000242741 [0,2,0,0,0,0|2,0,0]=4 9132 B13R1.353 CC(F)(F)C(=O)Nc1ccccc1 11a_100000106764_100000042251 [0,2,0,0,0,0|2,0,0]=4 9133 B13R1.353 CC(F)(F)C(=O)Nc1ccccc1 1626a_100000106764_100000042251 [0,2,0,0,0,0|2,0,0]=4 9134 B13R1.353 CC(F)(F)C(=O)Nc1ccccc1 22a_100000106764_100000042251 [0,2,0,0,0,0|2,0,0]=4 9135 B13R1.353 CC(F)(F)C(=O)Nc1ccccc1 527a_100000106764_100000042251 [0,2,0,0,0,0|2,0,0]=4 9136 B13R1.353 O=C(Cc1ccccc1)C(F)(F)F 1458a_100015355933_100015291786 [0,2,0,0,0,0|2,0,0]=4 9137 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,2,0,0,0,0|2,0,0]=4 9138 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,2,0,0,0,0|2,0,0]=4 9139 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,2,0,0,0,0|2,0,0]=4 9140 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,2,0,0,0,0|2,0,0]=4 9141 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,2,0,0,0,0|1,0,1]=4 9142 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,2,0,0,0,0|1,0,1]=4 9143 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,2,0,0,0,0|1,0,1]=4 9144 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,2,0,0,0,0|1,0,1]=4 9145 B13R1.1073 CN(C)S(=O)(=O)Cc1ccccc1 270084a_100102631434_100000211737 [0,2,0,0,0,0|2,0,0]=4 9146 B13R1.1073 CN(C)S(=O)(=O)Cc1ccccc1 274078a_100102631434_100000211737 [0,2,0,0,0,0|2,0,0]=4 9147 B13R1.1073 CN(C)S(=O)(=O)Cc1ccccc1 40a_100102631434_100000235865 [0,2,0,0,0,0|2,0,0]=4 9148 B13R1.5 C#CC(=O)Cc1ccc(cc1)C#C 1458a_100000211873_100000140223 [0,2,0,0,0,0|1,0,1]=4 9149 B13R1.5 C#CC(=O)Cc1ccc(cc1)C#N 1458a_100000211873_100000184898 [0,2,0,0,0,0|1,0,1]=4 9150 B13R1.5 C#CC(=O)Cc1ccc(cc1)C=C 1458a_100000211873_100000034074 [0,2,0,0,0,0|1,0,1]=4 9151 B13R1.5 C#CC(=O)Cc1ccc(cc1)C=O 1458a_100000211873_100000075337 [0,2,0,0,0,0|1,0,1]=4 9152 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,2,0,0,0,0|1,0,1]=4 9153 B13R1.5 C#CC(=O)Cc1ccc(cc1)CO 1458a_100000211873_100000067286 [0,2,0,0,0,0|1,0,1]=4 9154 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,2,0,0,0,0|1,0,1]=4 9155 B13R1.5 C#Cc1ccc(cc1)CC(=O)C=C 1458a_100000185746_100000140223 [0,2,0,0,0,0|1,0,1]=4 9156 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000140223 [0,2,0,0,0,0|1,0,0]=3 9157 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_200009884166_100000210202 [0,2,0,0,0,0|1,0,0]=3 9158 B13R1.5 C#Cc1ccc(cc1)CC(=O)CF 1458a_200009884166_100015361967 [0,2,0,0,0,0|2,0,0]=4 9159 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,2,0,0,0,0|2,0,0]=4 9160 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 11a_106832991635_200009884166 [0,2,0,0,0,0|1,0,0]=3 9161 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 1626a_100102657272_200009884166 [0,2,0,0,0,0|1,0,0]=3 9162 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 240690a_100102657272_200009884166 [0,2,0,0,0,0|1,0,0]=3 9163 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 527a_100102657272_200009884166 [0,2,0,0,0,0|1,0,0]=3 9164 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 11a_100011215031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9165 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 1626a_100011215031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9166 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 22a_100011215031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9167 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 527a_100011215031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9168 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 2430a_100011215031_100102657272 [0,2,0,0,0,0|2,0,0]=4 9169 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 512a_100011215031_100102657272 [0,2,0,0,0,0|2,0,0]=4 9170 B13R1.5 C=CC(=O)Cc1ccc(cc1)C#N 1458a_100000185746_100000184898 [0,2,0,0,0,0|1,0,1]=4 9171 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=C 1458a_100000185746_100000034074 [0,2,0,0,0,0|1,0,1]=4 9172 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=O 1458a_100000185746_100000075337 [0,2,0,0,0,0|1,0,1]=4 9173 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,2,0,0,0,0|1,0,1]=4 9174 B13R1.5 C=CC(=O)Cc1ccc(cc1)CO 1458a_100000185746_100000067286 [0,2,0,0,0,0|1,0,1]=4 9175 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,2,0,0,0,0|1,0,1]=4 9176 B13R1.5 C=Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000034074 [0,2,0,0,0,0|1,0,0]=3 9177 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,2,0,0,0,0|2,0,0]=4 9178 B13R1.5 C=Cc1ccc(cc1)CC(=O)NC 271570a_100011290941_100000155101 [0,2,0,0,0,0|1,0,0]=3 9179 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,2,0,0,0,0|0,0,0]=2 9180 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 11a_100011218248_100000210414 [0,2,0,0,0,0|2,0,0]=4 9181 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 1626a_100011218248_100000210414 [0,2,0,0,0,0|2,0,0]=4 9182 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 22a_100011218248_100000210414 [0,2,0,0,0,0|2,0,0]=4 9183 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 527a_100011218248_100000210414 [0,2,0,0,0,0|2,0,0]=4 9184 B13R1.5 C=Cc1ccc(cc1)NC(=O)NC 2430a_100011218248_100102657272 [0,2,0,0,0,0|2,0,0]=4 9185 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,2,0,0,0,0|1,0,0]=3 9186 B13R1.5 C=Cc1ccc(cc1)OC(=O)CC 271570a_100011290941_200009811598 [0,2,0,0,0,0|2,0,0]=4 9187 B13R1.5 C=Cc1ccc(cn1)CC(=O)OC 271570a_100011290941_100000071674 [0,2,0,0,0,0|1,0,0]=3 9188 B13R1.5 C=Cc1ccc(nc1)CC(=O)OC 271570a_100011290941_100012362609 [0,2,0,0,0,0|1,0,0]=3 9189 B13R1.5 C=Cc1ccc(nc1)NC(=O)OC 271570a_100011290941_100000188976 [0,2,0,0,0,0|2,0,0]=4 9190 B13R1.5 C=Cc1cnc(nc1)CC(=O)OC 271570a_100011290941_100010080487 [0,2,0,0,0,0|2,0,0]=4 9191 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000210414_100000184898 [0,2,0,0,0,0|1,0,0]=3 9192 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_100000210202 [0,2,0,0,0,0|1,0,0]=3 9193 B13R1.5 CCC(=O)Cc1ccc(cc1)C=O 1458a_100000210414_100000075337 [0,2,0,0,0,0|1,0,0]=3 9194 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,2,0,0,0,0|1,0,0]=3 9195 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,2,0,0,0,0|1,0,0]=3 9196 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,2,0,0,0,0|1,0,0]=3 9197 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,2,0,0,0,0|1,0,0]=3 9198 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,2,0,0,0,0|1,0,0]=3 9199 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,2,0,0,0,0|1,0,0]=3 9200 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,2,0,0,0,0|1,0,0]=3 9201 B13R1.5 CCC(=O)Cc1ccc(cn1)C#N 1458a_100000210414_100000693164 [0,2,0,0,0,0|2,0,0]=4 9202 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,2,0,0,0,0|2,0,0]=4 9203 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,2,0,0,0,0|2,0,0]=4 9204 B13R1.5 CCC(=O)Cc1ccc(nc1)C#N 1458a_100000210414_100009816919 [0,2,0,0,0,0|2,0,0]=4 9205 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,2,0,0,0,0|2,0,0]=4 9206 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,2,0,0,0,0|2,0,0]=4 9207 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210414 [0,2,0,0,0,0|2,0,0]=4 9208 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210414 [0,2,0,0,0,0|2,0,0]=4 9209 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,2,0,0,0,0|2,0,0]=4 9210 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,2,0,0,0,0|2,0,0]=4 9211 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,2,0,0,0,0|2,0,0]=4 9212 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,2,0,0,0,0|2,0,0]=4 9213 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,2,0,0,0,0|2,0,0]=4 9214 B13R1.5 CCC(=O)Nc1ccc(cc1)NC 34a_100000186511_200000210301 [0,2,0,0,0,0|2,0,0]=4 9215 B13R1.5 CCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000186511_200025704644 [0,2,0,0,0,0|2,0,0]=4 9216 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 9217 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 9218 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 9219 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,2,0,0,0,0|2,0,0]=4 9220 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,2,0,0,0,0|2,0,0]=4 9221 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,2,0,0,0,0|2,0,0]=4 9222 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,2,0,0,0,0|2,0,0]=4 9223 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,2,0,0,0,0|2,0,0]=4 9224 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210414 [0,2,0,0,0,0|2,0,0]=4 9225 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210414 [0,2,0,0,0,0|2,0,0]=4 9226 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210414 [0,2,0,0,0,0|2,0,0]=4 9227 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,2,0,0,0,0|2,0,0]=4 9228 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,2,0,0,0,0|2,0,0]=4 9229 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,2,0,0,0,0|2,0,0]=4 9230 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,2,0,0,0,0|2,0,0]=4 9231 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,2,0,0,0,0|1,0,0]=3 9232 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,2,0,0,0,0|1,0,0]=3 9233 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,2,0,0,0,0|1,0,0]=3 9234 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,2,0,0,0,0|1,0,0]=3 9235 B13R1.5 CCc1ccc(cc1)NC(=O)NC 2430a_100000211069_100102657272 [0,2,0,0,0,0|2,0,0]=4 9236 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 11a_106832991635_100000748677 [0,2,0,0,0,0|1,0,0]=3 9237 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1626a_100102657272_100000748677 [0,2,0,0,0,0|1,0,0]=3 9238 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 240690a_100102657272_100000748677 [0,2,0,0,0,0|1,0,0]=3 9239 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 527a_100102657272_100000748677 [0,2,0,0,0,0|1,0,0]=3 9240 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,2,0,0,0,0|1,0,0]=3 9241 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,2,0,0,0,0|1,0,0]=3 9242 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,2,0,0,0,0|1,0,0]=3 9243 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,2,0,0,0,0|1,0,0]=3 9244 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,2,0,0,0,0|1,0,0]=3 9245 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,2,0,0,0,0|1,0,0]=3 9246 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,2,0,0,0,0|1,0,0]=3 9247 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,2,0,0,0,0|1,0,0]=3 9248 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,2,0,0,0,0|1,0,0]=3 9249 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,2,0,0,0,0|1,0,0]=3 9250 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,2,0,0,0,0|1,0,0]=3 9251 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,2,0,0,0,0|1,0,0]=3 9252 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,2,0,0,0,0|1,0,0]=3 9253 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,2,0,0,0,0|1,0,0]=3 9254 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,2,0,0,0,0|1,0,0]=3 9255 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,2,0,0,0,0|1,0,0]=3 9256 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,2,0,0,0,0|1,0,0]=3 9257 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,2,0,0,0,0|1,0,0]=3 9258 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,2,0,0,0,0|2,0,0]=4 9259 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,2,0,0,0,0|2,0,0]=4 9260 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,2,0,0,0,0|2,0,0]=4 9261 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,2,0,0,0,0|2,0,0]=4 9262 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,2,0,0,0,0|2,0,0]=4 9263 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,2,0,0,0,0|2,0,0]=4 9264 B13R1.5 CNC(=O)Nc1ccc(cc1)C#N 2430a_100000185469_100102657272 [0,2,0,0,0,0|2,0,0]=4 9265 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,2,0,0,0,0|2,0,0]=4 9266 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,2,0,0,0,0|2,0,0]=4 9267 B13R1.5 CNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100102657272 [0,2,0,0,0,0|2,0,0]=4 9268 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,2,0,0,0,0|0,0,0]=2 9269 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,2,0,0,0,0|0,0,0]=2 9270 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,2,0,0,0,0|0,0,0]=2 9271 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,2,0,0,0,0|0,0,0]=2 9272 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,2,0,0,0,0|0,0,0]=2 9273 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,2,0,0,0,0|0,0,0]=2 9274 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_100012362609_200000210301 [0,2,0,0,0,0|1,0,0]=3 9275 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012362609 [0,2,0,0,0,0|1,0,0]=3 9276 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012362609_200025704644 [0,2,0,0,0,0|1,0,0]=3 9277 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012362609 [0,2,0,0,0,0|1,0,0]=3 9278 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_100000071674_200000210301 [0,2,0,0,0,0|1,0,0]=3 9279 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071674 [0,2,0,0,0,0|1,0,0]=3 9280 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071674_200025704644 [0,2,0,0,0,0|1,0,0]=3 9281 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071674 [0,2,0,0,0,0|1,0,0]=3 9282 B13R1.5 COC(=O)Cc1ncc(cn1)SC 62a_100010080487_200000210301 [0,2,0,0,0,0|2,0,0]=4 9283 B13R1.5 COC(=O)Cc1ncc(cn1)SC 62a_200000210301_100010080487 [0,2,0,0,0,0|2,0,0]=4 9284 B13R1.5 COC(=O)Cc1ncc(cn1)S[13CH3] 62a_100010080487_200025704644 [0,2,0,0,0,0|2,0,0]=4 9285 B13R1.5 COC(=O)Cc1ncc(cn1)S[13CH3] 62a_200025704644_100010080487 [0,2,0,0,0,0|2,0,0]=4 9286 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,2,0,0,0,0|1,0,0]=3 9287 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,2,0,0,0,0|1,0,0]=3 9288 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,2,0,0,0,0|1,0,0]=3 9289 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,2,0,0,0,0|1,0,0]=3 9290 B13R1.5 COC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000188976 [0,2,0,0,0,0|2,0,0]=4 9291 B13R1.5 COC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000188976 [0,2,0,0,0,0|2,0,0]=4 9292 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,2,0,0,0,0|2,0,0]=4 9293 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,2,0,0,0,0|2,0,0]=4 9294 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,2,0,0,0,0|2,0,0]=4 9295 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,2,0,0,0,0|2,0,0]=4 9296 B13R1.5 N#Cc1ccc(cc1)CC(=O)CF 1458a_100000748677_100015361967 [0,2,0,0,0,0|2,0,0]=4 9297 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,2,0,0,0,0|2,0,0]=4 9298 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,2,0,0,0,0|2,0,0]=4 9299 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,2,0,0,0,0|2,0,0]=4 9300 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,2,0,0,0,0|2,0,0]=4 9301 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,2,0,0,0,0|2,0,0]=4 9302 B13R1.145 COC(C#N)Cc1ccc(cc1)C 34a_100138415774_100000697087 [0,2,0,0,0,0|1,0,1]=4 9303 B13R1.249 CC(C)(Cc1ccc(cc1)Cl)O[13CH3] 34a_200011350411_200025704644 [0,2,0,0,0,0|1,0,1]=4 9304 B13R1.249 CC(C)(Cc1ccc(cc1)Cl)O[13CH3] 7a_200011350411_200025704644 [0,2,0,0,0,0|1,0,1]=4 9305 B13R1.249 CC(C)(Cc1ccc(cc1)F)O[13CH3] 34a_200011350416_200025704644 [0,2,0,0,0,0|1,0,1]=4 9306 B13R1.249 CC(C)(Cc1ccc(cc1)F)O[13CH3] 7a_200011350416_200025704644 [0,2,0,0,0,0|1,0,1]=4 9307 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Br 270084a_100102657272_100000764255 [0,2,0,0,0,0|2,0,0]=4 9308 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Br 274078a_100102657272_100000764255 [0,2,0,0,0,0|2,0,0]=4 9309 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)C 270084a_100102657272_100000689310 [0,2,0,0,0,0|2,0,0]=4 9310 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)C 274078a_100102657272_100000689310 [0,2,0,0,0,0|2,0,0]=4 9311 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Cl 270084a_100102657272_100011198069 [0,2,0,0,0,0|2,0,0]=4 9312 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Cl 274078a_100102657272_100011198069 [0,2,0,0,0,0|2,0,0]=4 9313 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)F 270084a_100102657272_100000735682 [0,2,0,0,0,0|2,0,0]=4 9314 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)F 274078a_100102657272_100000735682 [0,2,0,0,0,0|2,0,0]=4 9315 B13R1.249 COC(C)(C)Cc1ccc(cc1)C 7a_200011350412_200000210301 [0,2,0,0,0,0|1,0,1]=4 9316 B13R1.249 COC(C)(C)Cc1ccc(cc1)Cl 34a_200011350411_200000210301 [0,2,0,0,0,0|1,0,1]=4 9317 B13R1.249 COC(C)(C)Cc1ccc(cc1)Cl 7a_200011350411_200000210301 [0,2,0,0,0,0|1,0,1]=4 9318 B13R1.249 COC(C)(C)Cc1ccc(cc1)F 34a_200011350416_200000210301 [0,2,0,0,0,0|1,0,1]=4 9319 B13R1.249 COC(C)(C)Cc1ccc(cc1)F 7a_200011350416_200000210301 [0,2,0,0,0,0|1,0,1]=4 9320 B13R1.249 Cc1ccc(cc1)CC(C)(C)O[13CH3] 7a_200011350412_200025704644 [0,2,0,0,0,0|1,0,1]=4 9321 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)Br 1458a_100000211873_200012351560 [0,2,0,0,0,0|1,0,1]=4 9322 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000211873_100000755608 [0,2,0,0,0,0|1,0,1]=4 9323 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)F 1458a_100000211873_100000243222 [0,2,0,0,0,0|1,0,1]=4 9324 B13R1.2679 C#CC(=O)Cc1ccc(cc1Br)I 1458a_100000211873_100010146610 [0,2,0,0,0,0|1,0,1]=4 9325 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)Br 1458a_100000211873_100000708836 [0,2,0,0,0,0|1,0,1]=4 9326 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)C 1458a_100000211873_100011219618 [0,2,0,0,0,0|1,0,1]=4 9327 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)Cl 1458a_100000211873_100012361307 [0,2,0,0,0,0|1,0,1]=4 9328 B13R1.2679 C#CC(=O)Cc1ccc(cc1C)F 1458a_100000211873_100000700533 [0,2,0,0,0,0|1,0,1]=4 9329 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000211873_100011740631 [0,2,0,0,0,0|1,0,1]=4 9330 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)C 1458a_100000211873_100012349684 [0,2,0,0,0,0|1,0,1]=4 9331 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000211873_100000188473 [0,2,0,0,0,0|1,0,1]=4 9332 B13R1.2679 C#CC(=O)Cc1ccc(cc1Cl)F 1458a_100000211873_100011216360 [0,2,0,0,0,0|1,0,1]=4 9333 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)Br 1458a_100000211873_100000211606 [0,2,0,0,0,0|1,0,1]=4 9334 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)C 1458a_100000211873_100012002367 [0,2,0,0,0,0|1,0,1]=4 9335 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)Cl 1458a_100000211873_100000709361 [0,2,0,0,0,0|1,0,1]=4 9336 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)F 1458a_100000211873_100000748237 [0,2,0,0,0,0|1,0,1]=4 9337 B13R1.2679 C#CC(=O)Cc1ccc(cc1F)I 1458a_100000211873_100010244991 [0,2,0,0,0,0|1,0,1]=4 9338 B13R1.2679 C#CC(=O)Cc1ccc(cc1I)Br 1458a_100000211873_100010146615 [0,2,0,0,0,0|1,0,1]=4 9339 B13R1.2679 C#CC(=O)Cc1ccc(cc1I)Cl 1458a_100000211873_100010254388 [0,2,0,0,0,0|1,0,1]=4 9340 B13R1.2679 C#CC(=O)Cc1ccc(cc1I)F 1458a_100000211873_100012354799 [0,2,0,0,0,0|1,0,1]=4 9341 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)Br 1458a_100000185746_200012351560 [0,2,0,0,0,0|1,0,1]=4 9342 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000185746_100000755608 [0,2,0,0,0,0|1,0,1]=4 9343 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)F 1458a_100000185746_100000243222 [0,2,0,0,0,0|1,0,1]=4 9344 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)I 1458a_100000185746_100010146610 [0,2,0,0,0,0|1,0,1]=4 9345 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)Br 1458a_100000185746_100000708836 [0,2,0,0,0,0|1,0,1]=4 9346 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)C 1458a_100000185746_100011219618 [0,2,0,0,0,0|1,0,1]=4 9347 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)Cl 1458a_100000185746_100012361307 [0,2,0,0,0,0|1,0,1]=4 9348 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)F 1458a_100000185746_100000700533 [0,2,0,0,0,0|1,0,1]=4 9349 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000185746_100011740631 [0,2,0,0,0,0|1,0,1]=4 9350 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)C 1458a_100000185746_100012349684 [0,2,0,0,0,0|1,0,1]=4 9351 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000185746_100000188473 [0,2,0,0,0,0|1,0,1]=4 9352 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)F 1458a_100000185746_100011216360 [0,2,0,0,0,0|1,0,1]=4 9353 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)Br 1458a_100000185746_100000211606 [0,2,0,0,0,0|1,0,1]=4 9354 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)C 1458a_100000185746_100012002367 [0,2,0,0,0,0|1,0,1]=4 9355 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)Cl 1458a_100000185746_100000709361 [0,2,0,0,0,0|1,0,1]=4 9356 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)F 1458a_100000185746_100000748237 [0,2,0,0,0,0|1,0,1]=4 9357 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)I 1458a_100000185746_100010244991 [0,2,0,0,0,0|1,0,1]=4 9358 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)Br 1458a_100000185746_100010146615 [0,2,0,0,0,0|1,0,1]=4 9359 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)Cl 1458a_100000185746_100010254388 [0,2,0,0,0,0|1,0,1]=4 9360 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)F 1458a_100000185746_100012354799 [0,2,0,0,0,0|1,0,1]=4 9361 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Br 1458a_100000210414_200012351560 [0,2,0,0,0,0|1,0,0]=3 9362 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_100000210202 [0,2,0,0,0,0|1,0,0]=3 9363 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Cl 1458a_100000210414_100000755608 [0,2,0,0,0,0|1,0,0]=3 9364 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_100000210202 [0,2,0,0,0,0|1,0,0]=3 9365 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)F 1458a_100000210414_100000243222 [0,2,0,0,0,0|1,0,0]=3 9366 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_100000210202 [0,2,0,0,0,0|1,0,0]=3 9367 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)I 1458a_100000210414_100010146610 [0,2,0,0,0,0|1,0,0]=3 9368 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_100000210202 [0,2,0,0,0,0|1,0,0]=3 9369 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Br 1458a_100000210414_100000708836 [0,2,0,0,0,0|1,0,0]=3 9370 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_100000210202 [0,2,0,0,0,0|1,0,0]=3 9371 B13R1.2679 CCC(=O)Cc1ccc(cc1C)C 1458a_100000210414_100011219618 [0,2,0,0,0,0|1,0,0]=3 9372 B13R1.2679 CCC(=O)Cc1ccc(cc1C)C 1458a_100011236500_100000210202 [0,2,0,0,0,0|1,0,0]=3 9373 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Cl 1458a_100000210414_100012361307 [0,2,0,0,0,0|1,0,0]=3 9374 B13R1.2679 CCC(=O)Cc1ccc(cc1C)F 1458a_100000210414_100000700533 [0,2,0,0,0,0|1,0,0]=3 9375 B13R1.2679 CCC(=O)Cc1ccc(cc1C)F 1458a_100011667441_100000210202 [0,2,0,0,0,0|1,0,0]=3 9376 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100000210414_100011740631 [0,2,0,0,0,0|1,0,0]=3 9377 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_100000210202 [0,2,0,0,0,0|1,0,0]=3 9378 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)C 1458a_100000210414_100012349684 [0,2,0,0,0,0|1,0,0]=3 9379 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210414_100000188473 [0,2,0,0,0,0|1,0,0]=3 9380 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100000210202 [0,2,0,0,0,0|1,0,0]=3 9381 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000210414_100011216360 [0,2,0,0,0,0|1,0,0]=3 9382 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_100000210202 [0,2,0,0,0,0|1,0,0]=3 9383 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Br 1458a_100000210414_100000211606 [0,2,0,0,0,0|1,0,0]=3 9384 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_100000210202 [0,2,0,0,0,0|1,0,0]=3 9385 B13R1.2679 CCC(=O)Cc1ccc(cc1F)C 1458a_100000042674_100000210202 [0,2,0,0,0,0|1,0,0]=3 9386 B13R1.2679 CCC(=O)Cc1ccc(cc1F)C 1458a_100000210414_100012002367 [0,2,0,0,0,0|1,0,0]=3 9387 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Cl 1458a_100000210414_100000709361 [0,2,0,0,0,0|1,0,0]=3 9388 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_100000210202 [0,2,0,0,0,0|1,0,0]=3 9389 B13R1.2679 CCC(=O)Cc1ccc(cc1F)F 1458a_100000210414_100000748237 [0,2,0,0,0,0|1,0,0]=3 9390 B13R1.2679 CCC(=O)Cc1ccc(cc1F)F 1458a_100000684719_100000210202 [0,2,0,0,0,0|1,0,0]=3 9391 B13R1.2679 CCC(=O)Cc1ccc(cc1F)I 1458a_100000210414_100010244991 [0,2,0,0,0,0|1,0,0]=3 9392 B13R1.2679 CCC(=O)Cc1ccc(cc1F)I 1458a_100010149628_100000210202 [0,2,0,0,0,0|1,0,0]=3 9393 B13R1.2679 CCC(=O)Cc1ccc(cc1F)O 1458a_100000090534_100000210202 [0,2,0,0,0,0|1,0,0]=3 9394 B13R1.2679 CCC(=O)Cc1ccc(cc1I)Br 1458a_100000210414_100010146615 [0,2,0,0,0,0|1,0,0]=3 9395 B13R1.2679 CCC(=O)Cc1ccc(cc1I)Cl 1458a_100000210414_100010254388 [0,2,0,0,0,0|1,0,0]=3 9396 B13R1.2679 CCC(=O)Cc1ccc(cc1I)F 1458a_100000210414_100012354799 [0,2,0,0,0,0|1,0,0]=3 9397 B13R1.2679 CCC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_100000210202 [0,2,0,0,0,0|1,0,0]=3 9398 B13R1.2679 CCC(=O)Cc1ccc(nc1Br)C 1458a_100000210414_200010064658 [0,2,0,0,0,0|2,0,0]=4 9399 B13R1.2679 CCC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000210414_100000722033 [0,2,0,0,0,0|2,0,0]=4 9400 B13R1.2679 CCC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_100000210202 [0,2,0,0,0,0|2,0,0]=4 9401 B13R1.2679 CCC(=O)Cc1cnc(cc1C)F 1458a_100000210414_100010382440 [0,2,0,0,0,0|2,0,0]=4 9402 B13R1.2679 CCC(=O)Cc1cnc(cc1Cl)Cl 1458a_100000210414_100011997056 [0,2,0,0,0,0|2,0,0]=4 9403 B13R1.2679 CCC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_100000210202 [0,2,0,0,0,0|2,0,0]=4 9404 B13R1.2679 CCC(=O)Cc1ncc(cc1C)C 1458a_100000210414_100016990036 [0,2,0,0,0,0|2,0,0]=4 9405 B13R1.2679 CCC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_100000210202 [0,2,0,0,0,0|2,0,0]=4 9406 B13R1.2679 CCC(=O)Cc1ncc(cc1F)Cl 1458a_100000210414_200009879301 [0,2,0,0,0,0|2,0,0]=4 9407 B13R1.2679 CCC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_100000210202 [0,2,0,0,0,0|2,0,0]=4 9408 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100000210414 [0,2,0,0,0,0|2,0,0]=4 9409 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100000210414 [0,2,0,0,0,0|2,0,0]=4 9410 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100000210414 [0,2,0,0,0,0|2,0,0]=4 9411 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100000210414 [0,2,0,0,0,0|2,0,0]=4 9412 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100000210414 [0,2,0,0,0,0|2,0,0]=4 9413 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100000210414 [0,2,0,0,0,0|2,0,0]=4 9414 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100000210414 [0,2,0,0,0,0|2,0,0]=4 9415 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100000210414 [0,2,0,0,0,0|2,0,0]=4 9416 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100000210414 [0,2,0,0,0,0|2,0,0]=4 9417 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100000210414 [0,2,0,0,0,0|2,0,0]=4 9418 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000210414 [0,2,0,0,0,0|2,0,0]=4 9419 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100000210414 [0,2,0,0,0,0|2,0,0]=4 9420 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100000210414 [0,2,0,0,0,0|2,0,0]=4 9421 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000210414 [0,2,0,0,0,0|2,0,0]=4 9422 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000210414 [0,2,0,0,0,0|2,0,0]=4 9423 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 11a_100000736561_100000210414 [0,2,0,0,0,0|2,0,0]=4 9424 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000210414 [0,2,0,0,0,0|2,0,0]=4 9425 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000210414 [0,2,0,0,0,0|2,0,0]=4 9426 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 527a_100000736561_100000210414 [0,2,0,0,0,0|2,0,0]=4 9427 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100000210414 [0,2,0,0,0,0|2,0,0]=4 9428 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000210414 [0,2,0,0,0,0|2,0,0]=4 9429 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000210414 [0,2,0,0,0,0|2,0,0]=4 9430 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 11a_100000211637_100000210414 [0,2,0,0,0,0|2,0,0]=4 9431 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000210414 [0,2,0,0,0,0|2,0,0]=4 9432 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000210414 [0,2,0,0,0,0|2,0,0]=4 9433 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 527a_100000211637_100000210414 [0,2,0,0,0,0|2,0,0]=4 9434 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 11a_100000184554_100000210414 [0,2,0,0,0,0|2,0,0]=4 9435 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000210414 [0,2,0,0,0,0|2,0,0]=4 9436 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000210414 [0,2,0,0,0,0|2,0,0]=4 9437 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000210414 [0,2,0,0,0,0|2,0,0]=4 9438 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 527a_100000756630_100000210414 [0,2,0,0,0,0|2,0,0]=4 9439 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100000210414 [0,2,0,0,0,0|2,0,0]=4 9440 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100000210414 [0,2,0,0,0,0|2,0,0]=4 9441 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100000210414 [0,2,0,0,0,0|2,0,0]=4 9442 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100000210414 [0,2,0,0,0,0|2,0,0]=4 9443 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000210414 [0,2,0,0,0,0|2,0,0]=4 9444 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100000210414 [0,2,0,0,0,0|2,0,0]=4 9445 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100000210414 [0,2,0,0,0,0|2,0,0]=4 9446 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210414 [0,2,0,0,0,0|2,0,0]=4 9447 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100000210414 [0,2,0,0,0,0|2,0,0]=4 9448 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100000210414 [0,2,0,0,0,0|2,0,0]=4 9449 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000210414 [0,2,0,0,0,0|2,0,0]=4 9450 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100000210414 [0,2,0,0,0,0|2,0,0]=4 9451 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100000210414 [0,2,0,0,0,0|2,0,0]=4 9452 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000210414 [0,2,0,0,0,0|2,0,0]=4 9453 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000210414 [0,2,0,0,0,0|2,0,0]=4 9454 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100000210414 [0,2,0,0,0,0|2,0,0]=4 9455 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100000210414 [0,2,0,0,0,0|2,0,0]=4 9456 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000210414 [0,2,0,0,0,0|2,0,0]=4 9457 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000210414 [0,2,0,0,0,0|2,0,0]=4 9458 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 11a_100000211023_100000210414 [0,2,0,0,0,0|2,0,0]=4 9459 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000210414 [0,2,0,0,0,0|2,0,0]=4 9460 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000210414 [0,2,0,0,0,0|2,0,0]=4 9461 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 527a_100000211023_100000210414 [0,2,0,0,0,0|2,0,0]=4 9462 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100000210414 [0,2,0,0,0,0|2,0,0]=4 9463 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000210414 [0,2,0,0,0,0|2,0,0]=4 9464 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000210414 [0,2,0,0,0,0|2,0,0]=4 9465 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 11a_100000210720_100000210414 [0,2,0,0,0,0|2,0,0]=4 9466 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000210414 [0,2,0,0,0,0|2,0,0]=4 9467 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000210414 [0,2,0,0,0,0|2,0,0]=4 9468 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 11a_100011215594_100000210414 [0,2,0,0,0,0|2,0,0]=4 9469 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000210414 [0,2,0,0,0,0|2,0,0]=4 9470 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000210414 [0,2,0,0,0,0|2,0,0]=4 9471 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000210414 [0,2,0,0,0,0|2,0,0]=4 9472 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 527a_100000759473_100000210414 [0,2,0,0,0,0|2,0,0]=4 9473 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100000210414 [0,2,0,0,0,0|2,0,0]=4 9474 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100000210414 [0,2,0,0,0,0|2,0,0]=4 9475 B13R1.2679 CCC(=O)Nc1ccc(cc1I)C 11a_100011356834_100000210414 [0,2,0,0,0,0|2,0,0]=4 9476 B13R1.2679 CCC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100000210414 [0,2,0,0,0,0|2,0,0]=4 9477 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100000210414 [0,2,0,0,0,0|2,0,0]=4 9478 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100000210414 [0,2,0,0,0,0|2,0,0]=4 9479 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F 11a_100000760547_100000210414 [0,2,0,0,0,0|2,0,0]=4 9480 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100000210414 [0,2,0,0,0,0|2,0,0]=4 9481 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000210414 [0,2,0,0,0,0|2,0,0]=4 9482 B13R1.2679 CCC(=O)Nc1ccc(cc1I)I 11a_100010002754_100000210414 [0,2,0,0,0,0|2,0,0]=4 9483 B13R1.2679 CCC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100000210414 [0,2,0,0,0,0|2,0,0]=4 9484 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000210414 [0,2,0,0,0,0|2,0,0]=4 9485 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O 527a_100010084370_100000210414 [0,2,0,0,0,0|2,0,0]=4 9486 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000210414 [0,2,0,0,0,0|2,0,0]=4 9487 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100000210414 [0,2,0,0,0,0|2,0,0]=4 9488 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000210414 [0,2,0,0,0,0|2,0,0]=4 9489 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152038 [0,2,0,0,0,0|2,0,0]=4 9490 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 527a_100000211527_100000210414 [0,2,0,0,0,0|2,0,0]=4 9491 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000210414 [0,2,0,0,0,0|2,0,0]=4 9492 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100000210414 [0,2,0,0,0,0|2,0,0]=4 9493 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000210414 [0,2,0,0,0,0|2,0,0]=4 9494 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 527a_100000753323_100000210414 [0,2,0,0,0,0|2,0,0]=4 9495 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000210414 [0,2,0,0,0,0|2,0,0]=4 9496 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 527a_100000057187_100000210414 [0,2,0,0,0,0|2,0,0]=4 9497 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000210414 [0,2,0,0,0,0|2,0,0]=4 9498 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 527a_100000106777_100000210414 [0,2,0,0,0,0|2,0,0]=4 9499 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 11a_106832991635_100010172832 [0,2,0,0,0,0|1,0,0]=3 9500 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 240690a_100102657272_100010172832 [0,2,0,0,0,0|1,0,0]=3 9501 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 527a_100102657272_100010172832 [0,2,0,0,0,0|1,0,0]=3 9502 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 11a_106832991635_100000755479 [0,2,0,0,0,0|1,0,0]=3 9503 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 1626a_100102657272_100000755479 [0,2,0,0,0,0|1,0,0]=3 9504 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 240690a_100102657272_100000755479 [0,2,0,0,0,0|1,0,0]=3 9505 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 527a_100102657272_100000755479 [0,2,0,0,0,0|1,0,0]=3 9506 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 11a_106832991635_100000708238 [0,2,0,0,0,0|1,0,0]=3 9507 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 1626a_100102657272_100000708238 [0,2,0,0,0,0|1,0,0]=3 9508 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 240690a_100102657272_100000708238 [0,2,0,0,0,0|1,0,0]=3 9509 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 527a_100102657272_100000708238 [0,2,0,0,0,0|1,0,0]=3 9510 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 240690a_100102657272_100010176083 [0,2,0,0,0,0|1,0,0]=3 9511 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 527a_100102657272_100010176083 [0,2,0,0,0,0|1,0,0]=3 9512 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,2,0,0,0,0|1,0,0]=3 9513 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,2,0,0,0,0|1,0,0]=3 9514 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,2,0,0,0,0|1,0,0]=3 9515 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,2,0,0,0,0|1,0,0]=3 9516 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,2,0,0,0,0|1,0,0]=3 9517 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,2,0,0,0,0|1,0,0]=3 9518 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,2,0,0,0,0|1,0,0]=3 9519 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,2,0,0,0,0|1,0,0]=3 9520 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,2,0,0,0,0|1,0,0]=3 9521 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,2,0,0,0,0|1,0,0]=3 9522 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,2,0,0,0,0|1,0,0]=3 9523 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,2,0,0,0,0|1,0,0]=3 9524 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 11a_106832991635_100012361378 [0,2,0,0,0,0|1,0,0]=3 9525 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 1626a_100102657272_100012361378 [0,2,0,0,0,0|1,0,0]=3 9526 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 240690a_100102657272_100012361378 [0,2,0,0,0,0|1,0,0]=3 9527 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 527a_100102657272_100012361378 [0,2,0,0,0,0|1,0,0]=3 9528 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 11a_106832991635_100000210926 [0,2,0,0,0,0|1,0,0]=3 9529 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100102657272_100000210926 [0,2,0,0,0,0|1,0,0]=3 9530 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100102657272_100000210926 [0,2,0,0,0,0|1,0,0]=3 9531 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 527a_100102657272_100000210926 [0,2,0,0,0,0|1,0,0]=3 9532 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 11a_106832991635_100000690284 [0,2,0,0,0,0|1,0,0]=3 9533 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 1626a_100102657272_100000690284 [0,2,0,0,0,0|1,0,0]=3 9534 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 240690a_100102657272_100000690284 [0,2,0,0,0,0|1,0,0]=3 9535 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 527a_100102657272_100000690284 [0,2,0,0,0,0|1,0,0]=3 9536 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,2,0,0,0,0|1,0,0]=3 9537 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,2,0,0,0,0|1,0,0]=3 9538 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,2,0,0,0,0|1,0,0]=3 9539 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,2,0,0,0,0|1,0,0]=3 9540 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,2,0,0,0,0|1,0,0]=3 9541 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,2,0,0,0,0|1,0,0]=3 9542 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,2,0,0,0,0|1,0,0]=3 9543 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,2,0,0,0,0|1,0,0]=3 9544 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,2,0,0,0,0|1,0,0]=3 9545 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,2,0,0,0,0|1,0,0]=3 9546 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,2,0,0,0,0|1,0,0]=3 9547 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,2,0,0,0,0|1,0,0]=3 9548 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,2,0,0,0,0|1,0,0]=3 9549 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,2,0,0,0,0|1,0,0]=3 9550 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,2,0,0,0,0|1,0,0]=3 9551 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,2,0,0,0,0|1,0,0]=3 9552 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,2,0,0,0,0|1,0,0]=3 9553 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,2,0,0,0,0|1,0,0]=3 9554 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,2,0,0,0,0|1,0,0]=3 9555 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,2,0,0,0,0|1,0,0]=3 9556 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,2,0,0,0,0|1,0,0]=3 9557 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,2,0,0,0,0|1,0,0]=3 9558 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,2,0,0,0,0|1,0,0]=3 9559 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 11a_106832991635_200010067290 [0,2,0,0,0,0|2,0,0]=4 9560 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 1626a_100102657272_200010067290 [0,2,0,0,0,0|2,0,0]=4 9561 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 240690a_100102657272_200010067290 [0,2,0,0,0,0|2,0,0]=4 9562 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 527a_100102657272_200010067290 [0,2,0,0,0,0|2,0,0]=4 9563 B13R1.2679 CNC(=O)Cc1ncc(cc1Br)Cl 11a_106832991635_200012351915 [0,2,0,0,0,0|2,0,0]=4 9564 B13R1.2679 CNC(=O)Cc1ncc(cc1Br)Cl 240690a_100102657272_200012351915 [0,2,0,0,0,0|2,0,0]=4 9565 B13R1.2679 CNC(=O)Cc1ncc(cc1F)Br 11a_106832991635_100012351917 [0,2,0,0,0,0|2,0,0]=4 9566 B13R1.2679 CNC(=O)Cc1ncc(cc1F)Br 240690a_100102657272_100012351917 [0,2,0,0,0,0|2,0,0]=4 9567 B13R1.2679 CNC(=O)Cc1ncc(cc1F)Br 527a_100102657272_100012351917 [0,2,0,0,0,0|2,0,0]=4 9568 B13R1.2679 CNC(=O)Cn1ccc(cc1=O)C 1626a_100102657272_100000721392 [0,2,0,0,0,0|2,0,0]=4 9569 B13R1.2679 CNC(=O)Cn1ccc(cc1=O)C 240690a_100102657272_100000721392 [0,2,0,0,0,0|2,0,0]=4 9570 B13R1.2679 CNC(=O)Cn1ccc(cc1=O)C 527a_100102657272_100000721392 [0,2,0,0,0,0|2,0,0]=4 9571 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Br 2430a_100000211012_100102657272 [0,2,0,0,0,0|2,0,0]=4 9572 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)C 2430a_100000210942_100102657272 [0,2,0,0,0,0|2,0,0]=4 9573 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Cl 2430a_100000752454_100102657272 [0,2,0,0,0,0|2,0,0]=4 9574 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)F 2430a_100000738039_100102657272 [0,2,0,0,0,0|2,0,0]=4 9575 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)I 2430a_100000750455_100102657272 [0,2,0,0,0,0|2,0,0]=4 9576 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)O 2430a_100012001276_100102657272 [0,2,0,0,0,0|2,0,0]=4 9577 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Br 2430a_100000211769_100102657272 [0,2,0,0,0,0|2,0,0]=4 9578 B13R1.2679 CNC(=O)Nc1ccc(cc1C)C 2430a_100000736561_100102657272 [0,2,0,0,0,0|2,0,0]=4 9579 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Cl 2430a_100000210418_100102657272 [0,2,0,0,0,0|2,0,0]=4 9580 B13R1.2679 CNC(=O)Nc1ccc(cc1C)F 2430a_100000211637_100102657272 [0,2,0,0,0,0|2,0,0]=4 9581 B13R1.2679 CNC(=O)Nc1ccc(cc1C)I 2430a_100000184554_100102657272 [0,2,0,0,0,0|2,0,0]=4 9582 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,2,0,0,0,0|2,0,0]=4 9583 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100102657272 [0,2,0,0,0,0|2,0,0]=4 9584 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100102657272 [0,2,0,0,0,0|2,0,0]=4 9585 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100102657272 [0,2,0,0,0,0|2,0,0]=4 9586 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100102657272 [0,2,0,0,0,0|2,0,0]=4 9587 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100102657272 [0,2,0,0,0,0|2,0,0]=4 9588 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,2,0,0,0,0|2,0,0]=4 9589 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Br 2430a_100000210722_100102657272 [0,2,0,0,0,0|2,0,0]=4 9590 B13R1.2679 CNC(=O)Nc1ccc(cc1F)C 2430a_100000211023_100102657272 [0,2,0,0,0,0|2,0,0]=4 9591 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Cl 2430a_100000211020_100102657272 [0,2,0,0,0,0|2,0,0]=4 9592 B13R1.2679 CNC(=O)Nc1ccc(cc1F)F 2430a_100000210720_100102657272 [0,2,0,0,0,0|2,0,0]=4 9593 B13R1.2679 CNC(=O)Nc1ccc(cc1F)I 2430a_100011215594_100102657272 [0,2,0,0,0,0|2,0,0]=4 9594 B13R1.2679 CNC(=O)Nc1ccc(cc1F)O 2430a_100000759473_100102657272 [0,2,0,0,0,0|2,0,0]=4 9595 B13R1.2679 CNC(=O)Nc1ccc(cc1I)C 2430a_100011356834_100102657272 [0,2,0,0,0,0|2,0,0]=4 9596 B13R1.2679 CNC(=O)Nc1ccc(cc1I)Cl 2430a_100000761889_100102657272 [0,2,0,0,0,0|2,0,0]=4 9597 B13R1.2679 CNC(=O)Nc1ccc(cc1I)F 2430a_100000760547_100102657272 [0,2,0,0,0,0|2,0,0]=4 9598 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 2430a_100010002754_100102657272 [0,2,0,0,0,0|2,0,0]=4 9599 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 512a_100010002754_100102657272 [0,2,0,0,0,0|2,0,0]=4 9600 B13R1.2679 CNC(=O)Nc1ccc(cc1I)O 2430a_100010084370_100102657272 [0,2,0,0,0,0|2,0,0]=4 9601 B13R1.2679 CNC(=O)Nc1ccc(cc1O)C 2430a_100000211527_100102657272 [0,2,0,0,0,0|2,0,0]=4 9602 B13R1.2679 CNC(=O)Nc1ccc(cc1O)Cl 2430a_100000185728_100102657272 [0,2,0,0,0,0|2,0,0]=4 9603 B13R1.2679 CNC(=O)Nc1ccc(cc1O)F 2430a_100000753323_100102657272 [0,2,0,0,0,0|2,0,0]=4 9604 B13R1.2679 CNC(=O)Nc1ccc(cc1O)I 2430a_100000057187_100102657272 [0,2,0,0,0,0|2,0,0]=4 9605 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,2,0,0,0,0|2,0,0]=4 9606 B13R1.2679 COC(=O)Cc1ccc(cc1F)O 271570a_203496583355_100013023952 [0,2,0,0,0,0|0,0,0]=2 9607 B13R1.2679 COC(=O)Cc1ccc(cc1O)F 271570a_203496583355_200012569216 [0,2,0,0,0,0|0,0,0]=2 9608 B13R1.2679 COC(=O)Cc1ccc(cc1O)O 271570a_203496583355_100010150832 [0,2,0,0,0,0|0,0,0]=2 9609 B13R1.2679 COC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000750523 [0,2,0,0,0,0|1,0,0]=3 9610 B13R1.2679 Cc1cc(ccc1CC(=O)CF)Br 1458a_100000697930_100015361967 [0,2,0,0,0,0|2,0,0]=4 9611 B13R1.2679 Cc1cc(ccc1CC(=O)CF)F 1458a_100011667441_100015361967 [0,2,0,0,0,0|2,0,0]=4 9612 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,2,0,0,0,0|2,0,0]=4 9613 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,2,0,0,0,0|2,0,0]=4 9614 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,2,0,0,0,0|2,0,0]=4 9615 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CF 1458a_100011236500_100015361967 [0,2,0,0,0,0|2,0,0]=4 9616 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,2,0,0,0,0|2,0,0]=4 9617 B13R1.2679 Cc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_100012349684 [0,2,0,0,0,0|2,0,0]=4 9618 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CF 1458a_100000042674_100015361967 [0,2,0,0,0,0|2,0,0]=4 9619 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,2,0,0,0,0|2,0,0]=4 9620 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)Br 1458a_100010172832_100015361967 [0,2,0,0,0,0|2,0,0]=4 9621 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)Cl 1458a_100000755479_100015361967 [0,2,0,0,0,0|2,0,0]=4 9622 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)F 1458a_100000708238_100015361967 [0,2,0,0,0,0|2,0,0]=4 9623 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)O 1458a_100010176083_100015361967 [0,2,0,0,0,0|2,0,0]=4 9624 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)Br 1458a_100012361378_100015361967 [0,2,0,0,0,0|2,0,0]=4 9625 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100015361967 [0,2,0,0,0,0|2,0,0]=4 9626 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)F 1458a_100000690284_100015361967 [0,2,0,0,0,0|2,0,0]=4 9627 B13R1.2679 O=C(CF)Cc1ccc(cc1F)Br 1458a_100011295475_100015361967 [0,2,0,0,0,0|2,0,0]=4 9628 B13R1.2679 O=C(CF)Cc1ccc(cc1F)Cl 1458a_100011830378_100015361967 [0,2,0,0,0,0|2,0,0]=4 9629 B13R1.2679 O=C(CF)Cc1ccc(cc1F)F 1458a_100000684719_100015361967 [0,2,0,0,0,0|2,0,0]=4 9630 B13R1.2679 O=C(CF)Cc1ccc(cc1F)I 1458a_100010149628_100015361967 [0,2,0,0,0,0|2,0,0]=4 9631 B13R1.2679 O=C(CF)Cc1ccc(cc1F)O 1458a_100000090534_100015361967 [0,2,0,0,0,0|2,0,0]=4 9632 B13R1.2679 O=C(CF)Cc1ccc(cc1O)Br 1458a_100000707504_100015361967 [0,2,0,0,0,0|2,0,0]=4 9633 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Br 1458a_100000210174_200012351560 [0,2,0,0,0,0|2,0,0]=4 9634 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,2,0,0,0,0|2,0,0]=4 9635 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)F 1458a_100000210174_100000243222 [0,2,0,0,0,0|2,0,0]=4 9636 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)I 1458a_100000210174_100010146610 [0,2,0,0,0,0|2,0,0]=4 9637 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Br 1458a_100000210174_100011740631 [0,2,0,0,0,0|2,0,0]=4 9638 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,2,0,0,0,0|2,0,0]=4 9639 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)F 1458a_100000210174_100011216360 [0,2,0,0,0,0|2,0,0]=4 9640 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,2,0,0,0,0|2,0,0]=4 9641 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,2,0,0,0,0|2,0,0]=4 9642 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,2,0,0,0,0|2,0,0]=4 9643 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,2,0,0,0,0|2,0,0]=4 9644 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Br 1458a_100000210174_100010146615 [0,2,0,0,0,0|2,0,0]=4 9645 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,2,0,0,0,0|2,0,0]=4 9646 B13R1.2679 O=C(CO)Cc1ccc(cc1I)F 1458a_100000210174_100012354799 [0,2,0,0,0,0|2,0,0]=4 9647 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000211873_100012353900 [0,2,0,0,0,0|1,0,1]=4 9648 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000211873_100012232412 [0,2,0,0,0,0|1,0,1]=4 9649 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000211873_100012353894 [0,2,0,0,0,0|1,0,1]=4 9650 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000211873_100011206884 [0,2,0,0,0,0|1,0,1]=4 9651 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000211873_100000727479 [0,2,0,0,0,0|1,0,1]=4 9652 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)C 1458a_100000211873_100000742320 [0,2,0,0,0,0|1,0,1]=4 9653 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000211873_100012184735 [0,2,0,0,0,0|1,0,1]=4 9654 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)F 1458a_100000211873_100011216667 [0,2,0,0,0,0|1,0,1]=4 9655 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000211873_100012353895 [0,2,0,0,0,0|1,0,1]=4 9656 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000211873_100011823929 [0,2,0,0,0,0|1,0,1]=4 9657 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000211873_100000184707 [0,2,0,0,0,0|1,0,1]=4 9658 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000211873_100000717365 [0,2,0,0,0,0|1,0,1]=4 9659 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000211873_100012349665 [0,2,0,0,0,0|1,0,1]=4 9660 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000211873_100000767054 [0,2,0,0,0,0|1,0,1]=4 9661 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)C 1458a_100000211873_100011217369 [0,2,0,0,0,0|1,0,1]=4 9662 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000211873_100000716492 [0,2,0,0,0,0|1,0,1]=4 9663 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)F 1458a_100000211873_100000757363 [0,2,0,0,0,0|1,0,1]=4 9664 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)I 1458a_100000211873_100010149604 [0,2,0,0,0,0|1,0,1]=4 9665 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000211873_100010146616 [0,2,0,0,0,0|1,0,1]=4 9666 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)C 1458a_100000211873_100010206137 [0,2,0,0,0,0|1,0,1]=4 9667 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)F 1458a_100000211873_100010188208 [0,2,0,0,0,0|1,0,1]=4 9668 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000185746_100012353900 [0,2,0,0,0,0|1,0,1]=4 9669 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000185746_100012232412 [0,2,0,0,0,0|1,0,1]=4 9670 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000185746_100012353894 [0,2,0,0,0,0|1,0,1]=4 9671 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000185746_100011206884 [0,2,0,0,0,0|1,0,1]=4 9672 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000185746_100000727479 [0,2,0,0,0,0|1,0,1]=4 9673 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)C 1458a_100000185746_100000742320 [0,2,0,0,0,0|1,0,1]=4 9674 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000185746_100012184735 [0,2,0,0,0,0|1,0,1]=4 9675 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)F 1458a_100000185746_100011216667 [0,2,0,0,0,0|1,0,1]=4 9676 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000185746_100012353895 [0,2,0,0,0,0|1,0,1]=4 9677 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000185746_100011823929 [0,2,0,0,0,0|1,0,1]=4 9678 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000185746_100000184707 [0,2,0,0,0,0|1,0,1]=4 9679 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000185746_100000717365 [0,2,0,0,0,0|1,0,1]=4 9680 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000185746_100012349665 [0,2,0,0,0,0|1,0,1]=4 9681 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000185746_100000767054 [0,2,0,0,0,0|1,0,1]=4 9682 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)C 1458a_100000185746_100011217369 [0,2,0,0,0,0|1,0,1]=4 9683 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000185746_100000716492 [0,2,0,0,0,0|1,0,1]=4 9684 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)F 1458a_100000185746_100000757363 [0,2,0,0,0,0|1,0,1]=4 9685 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)I 1458a_100000185746_100010149604 [0,2,0,0,0,0|1,0,1]=4 9686 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000185746_100010146616 [0,2,0,0,0,0|1,0,1]=4 9687 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)C 1458a_100000185746_100010206137 [0,2,0,0,0,0|1,0,1]=4 9688 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)F 1458a_100000185746_100010188208 [0,2,0,0,0,0|1,0,1]=4 9689 B13R1.2879 CCC(=O)Cc1cc(=O)c(co1)O 1458a_100000210414_100000010605 [0,2,0,0,0,0|2,0,0]=4 9690 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000210414_100012353900 [0,2,0,0,0,0|1,0,0]=3 9691 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000210414_100012232412 [0,2,0,0,0,0|1,0,0]=3 9692 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_100000210202 [0,2,0,0,0,0|1,0,0]=3 9693 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000210414_100012353894 [0,2,0,0,0,0|1,0,0]=3 9694 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100000210202 [0,2,0,0,0,0|1,0,0]=3 9695 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000210414_100011206884 [0,2,0,0,0,0|1,0,0]=3 9696 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_100000210202 [0,2,0,0,0,0|1,0,0]=3 9697 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210202 [0,2,0,0,0,0|1,0,0]=3 9698 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100000210414_100000727479 [0,2,0,0,0,0|1,0,0]=3 9699 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_100000210202 [0,2,0,0,0,0|1,0,0]=3 9700 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_100000210202 [0,2,0,0,0,0|1,0,0]=3 9701 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000210414_100000742320 [0,2,0,0,0,0|1,0,0]=3 9702 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000210414_100012184735 [0,2,0,0,0,0|1,0,0]=3 9703 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100000210414_100011216667 [0,2,0,0,0,0|1,0,0]=3 9704 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_100000210202 [0,2,0,0,0,0|1,0,0]=3 9705 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210202 [0,2,0,0,0,0|1,0,0]=3 9706 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000210414_100012353895 [0,2,0,0,0,0|1,0,0]=3 9707 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100000210202 [0,2,0,0,0,0|1,0,0]=3 9708 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000210414_100011823929 [0,2,0,0,0,0|1,0,0]=3 9709 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210414_100000184707 [0,2,0,0,0,0|1,0,0]=3 9710 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100000210202 [0,2,0,0,0,0|1,0,0]=3 9711 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000210414_100000717365 [0,2,0,0,0,0|1,0,0]=3 9712 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100000210202 [0,2,0,0,0,0|1,0,0]=3 9713 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000210414_100012349665 [0,2,0,0,0,0|1,0,0]=3 9714 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210202 [0,2,0,0,0,0|1,0,0]=3 9715 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000210414_100000767054 [0,2,0,0,0,0|1,0,0]=3 9716 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_100000210202 [0,2,0,0,0,0|1,0,0]=3 9717 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100000210414_100011217369 [0,2,0,0,0,0|1,0,0]=3 9718 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_100000210202 [0,2,0,0,0,0|1,0,0]=3 9719 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000210414_100000716492 [0,2,0,0,0,0|1,0,0]=3 9720 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100000210202 [0,2,0,0,0,0|1,0,0]=3 9721 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000210414_100000757363 [0,2,0,0,0,0|1,0,0]=3 9722 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_100000210202 [0,2,0,0,0,0|1,0,0]=3 9723 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100000210414_100010149604 [0,2,0,0,0,0|1,0,0]=3 9724 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_100000210202 [0,2,0,0,0,0|1,0,0]=3 9725 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210202 [0,2,0,0,0,0|1,0,0]=3 9726 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)Br 1458a_100000210414_100010146616 [0,2,0,0,0,0|1,0,0]=3 9727 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)C 1458a_100000210414_100010206137 [0,2,0,0,0,0|1,0,0]=3 9728 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)F 1458a_100000210414_100010188208 [0,2,0,0,0,0|1,0,0]=3 9729 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210202 [0,2,0,0,0,0|1,0,0]=3 9730 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [0,2,0,0,0,0|1,0,0]=3 9731 B13R1.2879 CCC(=O)Cc1cnc(c(c1)Br)F 1458a_100000210414_200010066439 [0,2,0,0,0,0|2,0,0]=4 9732 B13R1.2879 CCC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000210414_100009843750 [0,2,0,0,0,0|2,0,0]=4 9733 B13R1.2879 CCC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000210414_100011072623 [0,2,0,0,0,0|2,0,0]=4 9734 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100000210414 [0,2,0,0,0,0|2,0,0]=4 9735 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100000210414 [0,2,0,0,0,0|2,0,0]=4 9736 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000210414 [0,2,0,0,0,0|2,0,0]=4 9737 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100000210414 [0,2,0,0,0,0|2,0,0]=4 9738 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100000210414 [0,2,0,0,0,0|2,0,0]=4 9739 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100000210414 [0,2,0,0,0,0|2,0,0]=4 9740 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000210414 [0,2,0,0,0,0|2,0,0]=4 9741 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100000210414 [0,2,0,0,0,0|2,0,0]=4 9742 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9743 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9744 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9745 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210414 [0,2,0,0,0,0|2,0,0]=4 9746 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100000210414 [0,2,0,0,0,0|2,0,0]=4 9747 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100000210414 [0,2,0,0,0,0|2,0,0]=4 9748 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000210414 [0,2,0,0,0,0|2,0,0]=4 9749 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100000210414 [0,2,0,0,0,0|2,0,0]=4 9750 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100000210414 [0,2,0,0,0,0|2,0,0]=4 9751 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100000210414 [0,2,0,0,0,0|2,0,0]=4 9752 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000210414 [0,2,0,0,0,0|2,0,0]=4 9753 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100000210414 [0,2,0,0,0,0|2,0,0]=4 9754 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210414 [0,2,0,0,0,0|2,0,0]=4 9755 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210414 [0,2,0,0,0,0|2,0,0]=4 9756 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100000210414 [0,2,0,0,0,0|2,0,0]=4 9757 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100000210414 [0,2,0,0,0,0|2,0,0]=4 9758 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000210414 [0,2,0,0,0,0|2,0,0]=4 9759 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100000210414 [0,2,0,0,0,0|2,0,0]=4 9760 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100000210414 [0,2,0,0,0,0|2,0,0]=4 9761 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100000210414 [0,2,0,0,0,0|2,0,0]=4 9762 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000210414 [0,2,0,0,0,0|2,0,0]=4 9763 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100000210414 [0,2,0,0,0,0|2,0,0]=4 9764 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100000210414 [0,2,0,0,0,0|2,0,0]=4 9765 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100000210414 [0,2,0,0,0,0|2,0,0]=4 9766 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000210414 [0,2,0,0,0,0|2,0,0]=4 9767 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100000210414 [0,2,0,0,0,0|2,0,0]=4 9768 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100000210414 [0,2,0,0,0,0|2,0,0]=4 9769 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100000210414 [0,2,0,0,0,0|2,0,0]=4 9770 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000210414 [0,2,0,0,0,0|2,0,0]=4 9771 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100000210414 [0,2,0,0,0,0|2,0,0]=4 9772 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100000210414 [0,2,0,0,0,0|2,0,0]=4 9773 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100000210414 [0,2,0,0,0,0|2,0,0]=4 9774 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000210414 [0,2,0,0,0,0|2,0,0]=4 9775 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100000210414 [0,2,0,0,0,0|2,0,0]=4 9776 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210414 [0,2,0,0,0,0|2,0,0]=4 9777 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210414 [0,2,0,0,0,0|2,0,0]=4 9778 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210414 [0,2,0,0,0,0|2,0,0]=4 9779 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100000210414 [0,2,0,0,0,0|2,0,0]=4 9780 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100000210414 [0,2,0,0,0,0|2,0,0]=4 9781 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000210414 [0,2,0,0,0,0|2,0,0]=4 9782 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100000210414 [0,2,0,0,0,0|2,0,0]=4 9783 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100000210414 [0,2,0,0,0,0|2,0,0]=4 9784 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100000210414 [0,2,0,0,0,0|2,0,0]=4 9785 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000210414 [0,2,0,0,0,0|2,0,0]=4 9786 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100000210414 [0,2,0,0,0,0|2,0,0]=4 9787 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100000210414 [0,2,0,0,0,0|2,0,0]=4 9788 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100000210414 [0,2,0,0,0,0|2,0,0]=4 9789 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210414 [0,2,0,0,0,0|2,0,0]=4 9790 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210414 [0,2,0,0,0,0|2,0,0]=4 9791 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100000210414 [0,2,0,0,0,0|2,0,0]=4 9792 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100000210414 [0,2,0,0,0,0|2,0,0]=4 9793 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000210414 [0,2,0,0,0,0|2,0,0]=4 9794 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100000210414 [0,2,0,0,0,0|2,0,0]=4 9795 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100000210414 [0,2,0,0,0,0|2,0,0]=4 9796 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100000210414 [0,2,0,0,0,0|2,0,0]=4 9797 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000210414 [0,2,0,0,0,0|2,0,0]=4 9798 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210414 [0,2,0,0,0,0|2,0,0]=4 9799 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100000210414 [0,2,0,0,0,0|2,0,0]=4 9800 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100000210414 [0,2,0,0,0,0|2,0,0]=4 9801 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000210414 [0,2,0,0,0,0|2,0,0]=4 9802 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100000210414 [0,2,0,0,0,0|2,0,0]=4 9803 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100000210414 [0,2,0,0,0,0|2,0,0]=4 9804 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100000210414 [0,2,0,0,0,0|2,0,0]=4 9805 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000210414 [0,2,0,0,0,0|2,0,0]=4 9806 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100000210414 [0,2,0,0,0,0|2,0,0]=4 9807 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100000210414 [0,2,0,0,0,0|2,0,0]=4 9808 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100000210414 [0,2,0,0,0,0|2,0,0]=4 9809 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210414 [0,2,0,0,0,0|2,0,0]=4 9810 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100000210414 [0,2,0,0,0,0|2,0,0]=4 9811 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100000210414 [0,2,0,0,0,0|2,0,0]=4 9812 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000210414 [0,2,0,0,0,0|2,0,0]=4 9813 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100000210414 [0,2,0,0,0,0|2,0,0]=4 9814 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100000210414 [0,2,0,0,0,0|2,0,0]=4 9815 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000210414 [0,2,0,0,0,0|2,0,0]=4 9816 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000210414 [0,2,0,0,0,0|2,0,0]=4 9817 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000210414 [0,2,0,0,0,0|2,0,0]=4 9818 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100000210414 [0,2,0,0,0,0|2,0,0]=4 9819 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100000210414 [0,2,0,0,0,0|2,0,0]=4 9820 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000210414 [0,2,0,0,0,0|2,0,0]=4 9821 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100000210414 [0,2,0,0,0,0|2,0,0]=4 9822 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100000210414 [0,2,0,0,0,0|2,0,0]=4 9823 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100000210414 [0,2,0,0,0,0|2,0,0]=4 9824 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000210414 [0,2,0,0,0,0|2,0,0]=4 9825 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100000210414 [0,2,0,0,0,0|2,0,0]=4 9826 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100000210414 [0,2,0,0,0,0|2,0,0]=4 9827 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100000210414 [0,2,0,0,0,0|2,0,0]=4 9828 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210414 [0,2,0,0,0,0|2,0,0]=4 9829 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210414 [0,2,0,0,0,0|2,0,0]=4 9830 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100000210414 [0,2,0,0,0,0|2,0,0]=4 9831 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100000210414 [0,2,0,0,0,0|2,0,0]=4 9832 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000210414 [0,2,0,0,0,0|2,0,0]=4 9833 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100000210414 [0,2,0,0,0,0|2,0,0]=4 9834 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000210414 [0,2,0,0,0,0|2,0,0]=4 9835 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000210414 [0,2,0,0,0,0|2,0,0]=4 9836 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000210414 [0,2,0,0,0,0|2,0,0]=4 9837 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210414 [0,2,0,0,0,0|2,0,0]=4 9838 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000210414 [0,2,0,0,0,0|2,0,0]=4 9839 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000210414 [0,2,0,0,0,0|2,0,0]=4 9840 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [0,2,0,0,0,0|2,0,0]=4 9841 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [0,2,0,0,0,0|2,0,0]=4 9842 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 11a_106832991635_100000709925 [0,2,0,0,0,0|1,0,0]=3 9843 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 240690a_100102657272_100000709925 [0,2,0,0,0,0|1,0,0]=3 9844 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 527a_100102657272_100000709925 [0,2,0,0,0,0|1,0,0]=3 9845 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 11a_106832991635_100012349508 [0,2,0,0,0,0|1,0,0]=3 9846 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100012349508 [0,2,0,0,0,0|1,0,0]=3 9847 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 527a_100102657272_100012349508 [0,2,0,0,0,0|1,0,0]=3 9848 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 11a_106832991635_100000742997 [0,2,0,0,0,0|1,0,0]=3 9849 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 240690a_100102657272_100000742997 [0,2,0,0,0,0|1,0,0]=3 9850 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 527a_100102657272_100000742997 [0,2,0,0,0,0|1,0,0]=3 9851 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [0,2,0,0,0,0|1,0,0]=3 9852 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [0,2,0,0,0,0|1,0,0]=3 9853 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 11a_106832991635_100012340274 [0,2,0,0,0,0|1,0,0]=3 9854 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 240690a_100102657272_100012340274 [0,2,0,0,0,0|1,0,0]=3 9855 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 527a_100102657272_100012340274 [0,2,0,0,0,0|1,0,0]=3 9856 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 11a_106832991635_100000184070 [0,2,0,0,0,0|1,0,0]=3 9857 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 240690a_100102657272_100000184070 [0,2,0,0,0,0|1,0,0]=3 9858 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 527a_100102657272_100000184070 [0,2,0,0,0,0|1,0,0]=3 9859 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 11a_106832991635_100011667458 [0,2,0,0,0,0|1,0,0]=3 9860 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 240690a_100102657272_100011667458 [0,2,0,0,0,0|1,0,0]=3 9861 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 527a_100102657272_100011667458 [0,2,0,0,0,0|1,0,0]=3 9862 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [0,2,0,0,0,0|1,0,0]=3 9863 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [0,2,0,0,0,0|1,0,0]=3 9864 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 11a_106832991635_100000766880 [0,2,0,0,0,0|1,0,0]=3 9865 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 240690a_100102657272_100000766880 [0,2,0,0,0,0|1,0,0]=3 9866 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 527a_100102657272_100000766880 [0,2,0,0,0,0|1,0,0]=3 9867 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000210702 [0,2,0,0,0,0|1,0,0]=3 9868 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210702 [0,2,0,0,0,0|1,0,0]=3 9869 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 527a_100102657272_100000210702 [0,2,0,0,0,0|1,0,0]=3 9870 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 11a_106832991635_100011217296 [0,2,0,0,0,0|1,0,0]=3 9871 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 1626a_100102657272_100011217296 [0,2,0,0,0,0|1,0,0]=3 9872 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 240690a_100102657272_100011217296 [0,2,0,0,0,0|1,0,0]=3 9873 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 527a_100102657272_100011217296 [0,2,0,0,0,0|1,0,0]=3 9874 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [0,2,0,0,0,0|1,0,0]=3 9875 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [0,2,0,0,0,0|1,0,0]=3 9876 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 11a_106832991635_100000691132 [0,2,0,0,0,0|1,0,0]=3 9877 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 240690a_100102657272_100000691132 [0,2,0,0,0,0|1,0,0]=3 9878 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 527a_100102657272_100000691132 [0,2,0,0,0,0|1,0,0]=3 9879 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 11a_106832991635_100011217375 [0,2,0,0,0,0|1,0,0]=3 9880 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 240690a_100102657272_100011217375 [0,2,0,0,0,0|1,0,0]=3 9881 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 527a_100102657272_100011217375 [0,2,0,0,0,0|1,0,0]=3 9882 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 11a_106832991635_100000722404 [0,2,0,0,0,0|1,0,0]=3 9883 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 240690a_100102657272_100000722404 [0,2,0,0,0,0|1,0,0]=3 9884 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 527a_100102657272_100000722404 [0,2,0,0,0,0|1,0,0]=3 9885 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 11a_106832991635_100000684721 [0,2,0,0,0,0|1,0,0]=3 9886 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 1626a_100102657272_100000684721 [0,2,0,0,0,0|1,0,0]=3 9887 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 240690a_100102657272_100000684721 [0,2,0,0,0,0|1,0,0]=3 9888 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 527a_100102657272_100000684721 [0,2,0,0,0,0|1,0,0]=3 9889 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 11a_106832991635_100010149632 [0,2,0,0,0,0|1,0,0]=3 9890 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 1626a_100102657272_100010149632 [0,2,0,0,0,0|1,0,0]=3 9891 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 240690a_100102657272_100010149632 [0,2,0,0,0,0|1,0,0]=3 9892 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 527a_100102657272_100010149632 [0,2,0,0,0,0|1,0,0]=3 9893 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [0,2,0,0,0,0|1,0,0]=3 9894 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [0,2,0,0,0,0|1,0,0]=3 9895 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [0,2,0,0,0,0|1,0,0]=3 9896 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [0,2,0,0,0,0|1,0,0]=3 9897 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [0,2,0,0,0,0|1,0,0]=3 9898 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,2,0,0,0,0|1,0,0]=3 9899 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)Br 2430a_100011306057_100102657272 [0,2,0,0,0,0|2,0,0]=4 9900 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)C 2430a_100000736455_100102657272 [0,2,0,0,0,0|2,0,0]=4 9901 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)Cl 2430a_100000686031_100102657272 [0,2,0,0,0,0|2,0,0]=4 9902 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)F 2430a_100000760356_100102657272 [0,2,0,0,0,0|2,0,0]=4 9903 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)I 2430a_100000750458_100102657272 [0,2,0,0,0,0|2,0,0]=4 9904 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)O 2430a_100011534360_100102657272 [0,2,0,0,0,0|2,0,0]=4 9905 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)Br 2430a_100000210723_100102657272 [0,2,0,0,0,0|2,0,0]=4 9906 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)C 2430a_100000724040_100102657272 [0,2,0,0,0,0|2,0,0]=4 9907 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)Cl 2430a_100000187808_100102657272 [0,2,0,0,0,0|2,0,0]=4 9908 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)F 2430a_100000750164_100102657272 [0,2,0,0,0,0|2,0,0]=4 9909 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)I 2430a_100000198070_100102657272 [0,2,0,0,0,0|2,0,0]=4 9910 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100102657272 [0,2,0,0,0,0|2,0,0]=4 9911 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Br 2430a_100000687081_100102657272 [0,2,0,0,0,0|2,0,0]=4 9912 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)C 2430a_100000188892_100102657272 [0,2,0,0,0,0|2,0,0]=4 9913 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl 2430a_100000184108_100102657272 [0,2,0,0,0,0|2,0,0]=4 9914 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)F 2430a_100000211060_100102657272 [0,2,0,0,0,0|2,0,0]=4 9915 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)I 2430a_100000761885_100102657272 [0,2,0,0,0,0|2,0,0]=4 9916 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)O 2430a_100000744943_100102657272 [0,2,0,0,0,0|2,0,0]=4 9917 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)Br 2430a_100000759894_100102657272 [0,2,0,0,0,0|2,0,0]=4 9918 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)C 2430a_100000210958_100102657272 [0,2,0,0,0,0|2,0,0]=4 9919 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)Cl 2430a_100000739366_100102657272 [0,2,0,0,0,0|2,0,0]=4 9920 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)F 2430a_100000210724_100102657272 [0,2,0,0,0,0|2,0,0]=4 9921 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)I 2430a_100011356925_100102657272 [0,2,0,0,0,0|2,0,0]=4 9922 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100102657272 [0,2,0,0,0,0|2,0,0]=4 9923 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)Br 2430a_100000750459_100102657272 [0,2,0,0,0,0|2,0,0]=4 9924 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)C 2430a_100000184131_100102657272 [0,2,0,0,0,0|2,0,0]=4 9925 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)Cl 2430a_100012360549_100102657272 [0,2,0,0,0,0|2,0,0]=4 9926 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)F 2430a_114828291077_100102657272 [0,2,0,0,0,0|2,0,0]=4 9927 B13R1.2879 CNC(=O)Nc1ccc(c(c1)I)F 512a_114828291077_100102657272 [0,2,0,0,0,0|2,0,0]=4 9928 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)C 2430a_100000759471_100102657272 [0,2,0,0,0,0|2,0,0]=4 9929 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)Cl 2430a_100011934209_100102657272 [0,2,0,0,0,0|2,0,0]=4 9930 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)F 2430a_100012017398_100102657272 [0,2,0,0,0,0|2,0,0]=4 9931 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [0,2,0,0,0,0|2,0,0]=4 9932 B13R1.2879 COC(=O)Cc1cc(c(cn1)C)O 271570a_203496583355_100015669916 [0,2,0,0,0,0|1,0,0]=3 9933 B13R1.2879 COC(=O)Cc1cc(c(nn1)O)C 271570a_203496583355_100010742824 [0,2,0,0,0,0|2,0,0]=4 9934 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100010371902 [0,2,0,0,0,0|0,0,0]=2 9935 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)F 271570a_203496583355_100011435807 [0,2,0,0,0,0|0,0,0]=2 9936 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [0,2,0,0,0,0|0,0,0]=2 9937 B13R1.2879 COC(=O)Nc1ccc(c(c1)N)O 271570a_203496583355_100012639261 [0,2,0,0,0,0|1,0,0]=3 9938 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CF 1458a_100012340274_100015361967 [0,2,0,0,0,0|2,0,0]=4 9939 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [0,2,0,0,0,0|2,0,0]=4 9940 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,2,0,0,0,0|2,0,0]=4 9941 B13R1.2879 Cc1cc(ccc1F)CC(=O)CF 1458a_100011667458_100015361967 [0,2,0,0,0,0|2,0,0]=4 9942 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [0,2,0,0,0,0|2,0,0]=4 9943 B13R1.2879 Cc1cc(ccc1O)CC(=O)CF 1458a_100000083968_100015361967 [0,2,0,0,0,0|2,0,0]=4 9944 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CF 1458a_100000709925_100015361967 [0,2,0,0,0,0|2,0,0]=4 9945 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012232412 [0,2,0,0,0,0|2,0,0]=4 9946 B13R1.2879 Cc1ccc(cc1C)CC(=O)CF 1458a_100000184070_100015361967 [0,2,0,0,0,0|2,0,0]=4 9947 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [0,2,0,0,0,0|2,0,0]=4 9948 B13R1.2879 Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100011823929 [0,2,0,0,0,0|2,0,0]=4 9949 B13R1.2879 Cc1ccc(cc1F)CC(=O)CF 1458a_100011217375_100015361967 [0,2,0,0,0,0|2,0,0]=4 9950 B13R1.2879 Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217369 [0,2,0,0,0,0|2,0,0]=4 9951 B13R1.2879 Cc1ccc(cc1I)CC(=O)CO 1458a_100000210174_100010206137 [0,2,0,0,0,0|2,0,0]=4 9952 B13R1.2879 Cc1ccc(cc1O)CC(=O)CF 1458a_100000082272_100015361967 [0,2,0,0,0,0|2,0,0]=4 9953 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100015361967 [0,2,0,0,0,0|2,0,0]=4 9954 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)F 1458a_100000742997_100015361967 [0,2,0,0,0,0|2,0,0]=4 9955 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)O 1458a_100009990404_100015361967 [0,2,0,0,0,0|2,0,0]=4 9956 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100015361967 [0,2,0,0,0,0|2,0,0]=4 9957 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100015361967 [0,2,0,0,0,0|2,0,0]=4 9958 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100015361967 [0,2,0,0,0,0|2,0,0]=4 9959 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100015361967 [0,2,0,0,0,0|2,0,0]=4 9960 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Br 1458a_100000691132_100015361967 [0,2,0,0,0,0|2,0,0]=4 9961 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100015361967 [0,2,0,0,0,0|2,0,0]=4 9962 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)F 1458a_100000684721_100015361967 [0,2,0,0,0,0|2,0,0]=4 9963 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)I 1458a_100010149632_100015361967 [0,2,0,0,0,0|2,0,0]=4 9964 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)O 1458a_100000039761_100015361967 [0,2,0,0,0,0|2,0,0]=4 9965 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [0,2,0,0,0,0|2,0,0]=4 9966 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Br 1458a_100000210174_100012353900 [0,2,0,0,0,0|2,0,0]=4 9967 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,2,0,0,0,0|2,0,0]=4 9968 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)F 1458a_100000210174_100011206884 [0,2,0,0,0,0|2,0,0]=4 9969 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Br 1458a_100000210174_100012353895 [0,2,0,0,0,0|2,0,0]=4 9970 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,2,0,0,0,0|2,0,0]=4 9971 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)F 1458a_100000210174_100000717365 [0,2,0,0,0,0|2,0,0]=4 9972 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)I 1458a_100000210174_100012349665 [0,2,0,0,0,0|2,0,0]=4 9973 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Br 1458a_100000210174_100000767054 [0,2,0,0,0,0|2,0,0]=4 9974 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,2,0,0,0,0|2,0,0]=4 9975 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)F 1458a_100000210174_100000757363 [0,2,0,0,0,0|2,0,0]=4 9976 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)I 1458a_100000210174_100010149604 [0,2,0,0,0,0|2,0,0]=4 9977 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)Br 1458a_100000210174_100010146616 [0,2,0,0,0,0|2,0,0]=4 9978 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)F 1458a_100000210174_100010188208 [0,2,0,0,0,0|2,0,0]=4 9979 B13R1.40 C#CC(=O)Cc1cccc(c1Br)C 1458a_100000211873_200012349612 [0,2,0,0,0,0|1,0,1]=4 9980 B13R1.40 C#CC(=O)Cc1cccc(c1Br)Cl 1458a_100000211873_100010145525 [0,2,0,0,0,0|1,0,1]=4 9981 B13R1.40 C#CC(=O)Cc1cccc(c1Br)F 1458a_100000211873_100012351116 [0,2,0,0,0,0|1,0,1]=4 9982 B13R1.40 C#CC(=O)Cc1cccc(c1Br)I 1458a_100000211873_100010254545 [0,2,0,0,0,0|1,0,1]=4 9983 B13R1.40 C#CC(=O)Cc1cccc(c1C)Br 1458a_100000211873_100000694682 [0,2,0,0,0,0|1,0,1]=4 9984 B13R1.40 C#CC(=O)Cc1cccc(c1C)C 1458a_100000211873_100011515928 [0,2,0,0,0,0|1,0,1]=4 9985 B13R1.40 C#CC(=O)Cc1cccc(c1C)Cl 1458a_100000211873_100012186920 [0,2,0,0,0,0|1,0,1]=4 9986 B13R1.40 C#CC(=O)Cc1cccc(c1C)F 1458a_100000211873_100009813626 [0,2,0,0,0,0|1,0,1]=4 9987 B13R1.40 C#CC(=O)Cc1cccc(c1C)I 1458a_100000211873_100010150147 [0,2,0,0,0,0|1,0,1]=4 9988 B13R1.40 C#CC(=O)Cc1cccc(c1Cl)Br 1458a_100000211873_100012349491 [0,2,0,0,0,0|1,0,1]=4 9989 B13R1.40 C#CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000211873_100000720918 [0,2,0,0,0,0|1,0,1]=4 9990 B13R1.40 C#CC(=O)Cc1cccc(c1Cl)F 1458a_100000211873_100000696688 [0,2,0,0,0,0|1,0,1]=4 9991 B13R1.40 C#CC(=O)Cc1cccc(c1F)Br 1458a_100000211873_100012356507 [0,2,0,0,0,0|1,0,1]=4 9992 B13R1.40 C#CC(=O)Cc1cccc(c1F)C 1458a_100000211873_100011216058 [0,2,0,0,0,0|1,0,1]=4 9993 B13R1.40 C#CC(=O)Cc1cccc(c1F)Cl 1458a_100000211873_100000716733 [0,2,0,0,0,0|1,0,1]=4 9994 B13R1.40 C#CC(=O)Cc1cccc(c1F)F 1458a_100000211873_100000217499 [0,2,0,0,0,0|1,0,1]=4 9995 B13R1.40 C#CC(=O)Cc1cccc(c1I)F 1458a_100000211873_100010149603 [0,2,0,0,0,0|1,0,1]=4 9996 B13R1.40 C=CC(=O)Cc1cccc(c1Br)C 1458a_100000185746_200012349612 [0,2,0,0,0,0|1,0,1]=4 9997 B13R1.40 C=CC(=O)Cc1cccc(c1Br)Cl 1458a_100000185746_100010145525 [0,2,0,0,0,0|1,0,1]=4 9998 B13R1.40 C=CC(=O)Cc1cccc(c1Br)F 1458a_100000185746_100012351116 [0,2,0,0,0,0|1,0,1]=4 9999 B13R1.40 C=CC(=O)Cc1cccc(c1Br)I 1458a_100000185746_100010254545 [0,2,0,0,0,0|1,0,1]=4 10000 B13R1.40 C=CC(=O)Cc1cccc(c1C)Br 1458a_100000185746_100000694682 [0,2,0,0,0,0|1,0,1]=4 10001 B13R1.40 C=CC(=O)Cc1cccc(c1C)C 1458a_100000185746_100011515928 [0,2,0,0,0,0|1,0,1]=4 10002 B13R1.40 C=CC(=O)Cc1cccc(c1C)Cl 1458a_100000185746_100012186920 [0,2,0,0,0,0|1,0,1]=4 10003 B13R1.40 C=CC(=O)Cc1cccc(c1C)F 1458a_100000185746_100009813626 [0,2,0,0,0,0|1,0,1]=4 10004 B13R1.40 C=CC(=O)Cc1cccc(c1C)I 1458a_100000185746_100010150147 [0,2,0,0,0,0|1,0,1]=4 10005 B13R1.40 C=CC(=O)Cc1cccc(c1Cl)Br 1458a_100000185746_100012349491 [0,2,0,0,0,0|1,0,1]=4 10006 B13R1.40 C=CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000185746_100000720918 [0,2,0,0,0,0|1,0,1]=4 10007 B13R1.40 C=CC(=O)Cc1cccc(c1Cl)F 1458a_100000185746_100000696688 [0,2,0,0,0,0|1,0,1]=4 10008 B13R1.40 C=CC(=O)Cc1cccc(c1F)Br 1458a_100000185746_100012356507 [0,2,0,0,0,0|1,0,1]=4 10009 B13R1.40 C=CC(=O)Cc1cccc(c1F)C 1458a_100000185746_100011216058 [0,2,0,0,0,0|1,0,1]=4 10010 B13R1.40 C=CC(=O)Cc1cccc(c1F)Cl 1458a_100000185746_100000716733 [0,2,0,0,0,0|1,0,1]=4 10011 B13R1.40 C=CC(=O)Cc1cccc(c1F)F 1458a_100000185746_100000217499 [0,2,0,0,0,0|1,0,1]=4 10012 B13R1.40 C=CC(=O)Cc1cccc(c1I)F 1458a_100000185746_100010149603 [0,2,0,0,0,0|1,0,1]=4 10013 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100000210414_200012349612 [0,2,0,0,0,0|1,0,0]=3 10014 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100010147021_100000210202 [0,2,0,0,0,0|1,0,0]=3 10015 B13R1.40 CCC(=O)Cc1cccc(c1Br)Cl 1458a_100000210414_100010145525 [0,2,0,0,0,0|1,0,0]=3 10016 B13R1.40 CCC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_100000210202 [0,2,0,0,0,0|1,0,0]=3 10017 B13R1.40 CCC(=O)Cc1cccc(c1Br)F 1458a_100000210414_100012351116 [0,2,0,0,0,0|1,0,0]=3 10018 B13R1.40 CCC(=O)Cc1cccc(c1Br)F 1458a_100012356664_100000210202 [0,2,0,0,0,0|1,0,0]=3 10019 B13R1.40 CCC(=O)Cc1cccc(c1Br)I 1458a_100000210414_100010254545 [0,2,0,0,0,0|1,0,0]=3 10020 B13R1.40 CCC(=O)Cc1cccc(c1C)Br 1458a_100000210414_100000694682 [0,2,0,0,0,0|1,0,0]=3 10021 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100000210414_100011515928 [0,2,0,0,0,0|1,0,0]=3 10022 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100011698479_100000210202 [0,2,0,0,0,0|1,0,0]=3 10023 B13R1.40 CCC(=O)Cc1cccc(c1C)Cl 1458a_100000210414_100012186920 [0,2,0,0,0,0|1,0,0]=3 10024 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000035905_100000210202 [0,2,0,0,0,0|1,0,0]=3 10025 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000210414_100009813626 [0,2,0,0,0,0|1,0,0]=3 10026 B13R1.40 CCC(=O)Cc1cccc(c1C)I 1458a_100000210414_100010150147 [0,2,0,0,0,0|1,0,0]=3 10027 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100000210414_100012349491 [0,2,0,0,0,0|1,0,0]=3 10028 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_100000210202 [0,2,0,0,0,0|1,0,0]=3 10029 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000210414_100000720918 [0,2,0,0,0,0|1,0,0]=3 10030 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_100000210202 [0,2,0,0,0,0|1,0,0]=3 10031 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100000210414_100000696688 [0,2,0,0,0,0|1,0,0]=3 10032 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_100000210202 [0,2,0,0,0,0|1,0,0]=3 10033 B13R1.40 CCC(=O)Cc1cccc(c1F)Br 1458a_100000210414_100012356507 [0,2,0,0,0,0|1,0,0]=3 10034 B13R1.40 CCC(=O)Cc1cccc(c1F)Br 1458a_100011935088_100000210202 [0,2,0,0,0,0|1,0,0]=3 10035 B13R1.40 CCC(=O)Cc1cccc(c1F)C 1458a_100000210414_100011216058 [0,2,0,0,0,0|1,0,0]=3 10036 B13R1.40 CCC(=O)Cc1cccc(c1F)Cl 1458a_100000210414_100000716733 [0,2,0,0,0,0|1,0,0]=3 10037 B13R1.40 CCC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_100000210202 [0,2,0,0,0,0|1,0,0]=3 10038 B13R1.40 CCC(=O)Cc1cccc(c1F)F 1458a_100000210414_100000217499 [0,2,0,0,0,0|1,0,0]=3 10039 B13R1.40 CCC(=O)Cc1cccc(c1F)F 1458a_100000684727_100000210202 [0,2,0,0,0,0|1,0,0]=3 10040 B13R1.40 CCC(=O)Cc1cccc(c1I)F 1458a_100000210414_100010149603 [0,2,0,0,0,0|1,0,0]=3 10041 B13R1.40 CCC(=O)Cc1nccc(c1C)Cl 1458a_100000210414_100020614443 [0,2,0,0,0,0|2,0,0]=4 10042 B13R1.40 CCC(=O)Cn1cccc(c1=O)C 1458a_100000697016_100000210202 [0,2,0,0,0,0|2,0,0]=4 10043 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 11a_100000684715_100000210414 [0,2,0,0,0,0|2,0,0]=4 10044 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000210414 [0,2,0,0,0,0|2,0,0]=4 10045 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000210414 [0,2,0,0,0,0|2,0,0]=4 10046 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100000210414 [0,2,0,0,0,0|2,0,0]=4 10047 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100000210414 [0,2,0,0,0,0|2,0,0]=4 10048 B13R1.40 CCC(=O)Nc1cccc(c1Br)F 11a_100011934729_100000210414 [0,2,0,0,0,0|2,0,0]=4 10049 B13R1.40 CCC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100000210414 [0,2,0,0,0,0|2,0,0]=4 10050 B13R1.40 CCC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000210414 [0,2,0,0,0,0|2,0,0]=4 10051 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 11a_100000750434_100000210414 [0,2,0,0,0,0|2,0,0]=4 10052 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000210414 [0,2,0,0,0,0|2,0,0]=4 10053 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000210414 [0,2,0,0,0,0|2,0,0]=4 10054 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 527a_100000750434_100000210414 [0,2,0,0,0,0|2,0,0]=4 10055 B13R1.40 CCC(=O)Nc1cccc(c1C)C 11a_100000210026_100000210414 [0,2,0,0,0,0|2,0,0]=4 10056 B13R1.40 CCC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000210414 [0,2,0,0,0,0|2,0,0]=4 10057 B13R1.40 CCC(=O)Nc1cccc(c1C)C 22a_100000210026_100000210414 [0,2,0,0,0,0|2,0,0]=4 10058 B13R1.40 CCC(=O)Nc1cccc(c1C)C 527a_100000210026_100000210414 [0,2,0,0,0,0|2,0,0]=4 10059 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100000210414 [0,2,0,0,0,0|2,0,0]=4 10060 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000210414 [0,2,0,0,0,0|2,0,0]=4 10061 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000210414 [0,2,0,0,0,0|2,0,0]=4 10062 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100000210414 [0,2,0,0,0,0|2,0,0]=4 10063 B13R1.40 CCC(=O)Nc1cccc(c1C)F 11a_100000745574_100000210414 [0,2,0,0,0,0|2,0,0]=4 10064 B13R1.40 CCC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000210414 [0,2,0,0,0,0|2,0,0]=4 10065 B13R1.40 CCC(=O)Nc1cccc(c1C)F 22a_100000745574_100000210414 [0,2,0,0,0,0|2,0,0]=4 10066 B13R1.40 CCC(=O)Nc1cccc(c1C)F 527a_100000745574_100000210414 [0,2,0,0,0,0|2,0,0]=4 10067 B13R1.40 CCC(=O)Nc1cccc(c1C)I 11a_100000761887_100000210414 [0,2,0,0,0,0|2,0,0]=4 10068 B13R1.40 CCC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000210414 [0,2,0,0,0,0|2,0,0]=4 10069 B13R1.40 CCC(=O)Nc1cccc(c1C)I 22a_100000761887_100000210414 [0,2,0,0,0,0|2,0,0]=4 10070 B13R1.40 CCC(=O)Nc1cccc(c1C)I 527a_100000761887_100000210414 [0,2,0,0,0,0|2,0,0]=4 10071 B13R1.40 CCC(=O)Nc1cccc(c1C)O 11a_100011216573_100000210414 [0,2,0,0,0,0|2,0,0]=4 10072 B13R1.40 CCC(=O)Nc1cccc(c1C)O 22a_100011216573_100000210414 [0,2,0,0,0,0|2,0,0]=4 10073 B13R1.40 CCC(=O)Nc1cccc(c1C)O 527a_100011216573_100000210414 [0,2,0,0,0,0|2,0,0]=4 10074 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100000210414 [0,2,0,0,0,0|2,0,0]=4 10075 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100000210414 [0,2,0,0,0,0|2,0,0]=4 10076 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100000210414 [0,2,0,0,0,0|2,0,0]=4 10077 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100000210414 [0,2,0,0,0,0|2,0,0]=4 10078 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000210414 [0,2,0,0,0,0|2,0,0]=4 10079 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000210414 [0,2,0,0,0,0|2,0,0]=4 10080 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100000210414 [0,2,0,0,0,0|2,0,0]=4 10081 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100000210414 [0,2,0,0,0,0|2,0,0]=4 10082 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100000210414 [0,2,0,0,0,0|2,0,0]=4 10083 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100000210414 [0,2,0,0,0,0|2,0,0]=4 10084 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000210414 [0,2,0,0,0,0|2,0,0]=4 10085 B13R1.40 CCC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000210414 [0,2,0,0,0,0|2,0,0]=4 10086 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 11a_100011935091_100000210414 [0,2,0,0,0,0|2,0,0]=4 10087 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000210414 [0,2,0,0,0,0|2,0,0]=4 10088 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000210414 [0,2,0,0,0,0|2,0,0]=4 10089 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 527a_100011935091_100000210414 [0,2,0,0,0,0|2,0,0]=4 10090 B13R1.40 CCC(=O)Nc1cccc(c1F)C 11a_100000697159_100000210414 [0,2,0,0,0,0|2,0,0]=4 10091 B13R1.40 CCC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000210414 [0,2,0,0,0,0|2,0,0]=4 10092 B13R1.40 CCC(=O)Nc1cccc(c1F)C 527a_100000697159_100000210414 [0,2,0,0,0,0|2,0,0]=4 10093 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100000210414 [0,2,0,0,0,0|2,0,0]=4 10094 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000210414 [0,2,0,0,0,0|2,0,0]=4 10095 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000210414 [0,2,0,0,0,0|2,0,0]=4 10096 B13R1.40 CCC(=O)Nc1cccc(c1F)F 11a_100000743855_100000210414 [0,2,0,0,0,0|2,0,0]=4 10097 B13R1.40 CCC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000210414 [0,2,0,0,0,0|2,0,0]=4 10098 B13R1.40 CCC(=O)Nc1cccc(c1F)F 22a_100000743855_100000210414 [0,2,0,0,0,0|2,0,0]=4 10099 B13R1.40 CCC(=O)Nc1cccc(c1I)Br 11a_100020590159_100000210414 [0,2,0,0,0,0|2,0,0]=4 10100 B13R1.40 CCC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100000210414 [0,2,0,0,0,0|2,0,0]=4 10101 B13R1.40 CCC(=O)Nc1cccc(c1I)C 11a_100000761888_100000210414 [0,2,0,0,0,0|2,0,0]=4 10102 B13R1.40 CCC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000210414 [0,2,0,0,0,0|2,0,0]=4 10103 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100000210414 [0,2,0,0,0,0|2,0,0]=4 10104 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100000210414 [0,2,0,0,0,0|2,0,0]=4 10105 B13R1.40 CCC(=O)Nc1cccc(c1I)F 11a_100000690935_100000210414 [0,2,0,0,0,0|2,0,0]=4 10106 B13R1.40 CCC(=O)Nc1cccc(c1I)F 1626a_100000690935_100000210414 [0,2,0,0,0,0|2,0,0]=4 10107 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000210414 [0,2,0,0,0,0|2,0,0]=4 10108 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 527a_100011934915_100000210414 [0,2,0,0,0,0|2,0,0]=4 10109 B13R1.40 CCC(=O)Nc1cccc(c1O)C 11a_100000756359_100000210414 [0,2,0,0,0,0|2,0,0]=4 10110 B13R1.40 CCC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000210414 [0,2,0,0,0,0|2,0,0]=4 10111 B13R1.40 CCC(=O)Nc1cccc(c1O)C 22a_100000756359_100000210414 [0,2,0,0,0,0|2,0,0]=4 10112 B13R1.40 CCC(=O)Nc1cccc(c1O)C 527a_100000756359_100000210414 [0,2,0,0,0,0|2,0,0]=4 10113 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000210414 [0,2,0,0,0,0|2,0,0]=4 10114 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100000210414 [0,2,0,0,0,0|2,0,0]=4 10115 B13R1.40 CCC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000210414 [0,2,0,0,0,0|2,0,0]=4 10116 B13R1.40 CCC(=O)Nc1cccc(c1O)F 22a_100011934987_100000210414 [0,2,0,0,0,0|2,0,0]=4 10117 B13R1.40 CCC(=O)Nc1cccc(c1O)F 527a_100011934987_100000210414 [0,2,0,0,0,0|2,0,0]=4 10118 B13R1.40 CCC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10119 B13R1.40 CCC(=O)Nc1cccc(c1O)I 22a_100010084371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10120 B13R1.40 CCC(=O)Nc1cccc(c1O)I 527a_100010084371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10121 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,2,0,0,0,0|1,0,0]=3 10122 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,2,0,0,0,0|1,0,0]=3 10123 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,2,0,0,0,0|1,0,0]=3 10124 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,2,0,0,0,0|1,0,0]=3 10125 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,2,0,0,0,0|1,0,0]=3 10126 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,2,0,0,0,0|1,0,0]=3 10127 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,2,0,0,0,0|1,0,0]=3 10128 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,2,0,0,0,0|1,0,0]=3 10129 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,2,0,0,0,0|1,0,0]=3 10130 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,2,0,0,0,0|1,0,0]=3 10131 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,2,0,0,0,0|1,0,0]=3 10132 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,2,0,0,0,0|1,0,0]=3 10133 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,2,0,0,0,0|1,0,0]=3 10134 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,2,0,0,0,0|1,0,0]=3 10135 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,2,0,0,0,0|1,0,0]=3 10136 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,2,0,0,0,0|1,0,0]=3 10137 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,2,0,0,0,0|1,0,0]=3 10138 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,2,0,0,0,0|1,0,0]=3 10139 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,2,0,0,0,0|1,0,0]=3 10140 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,2,0,0,0,0|1,0,0]=3 10141 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,2,0,0,0,0|1,0,0]=3 10142 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,2,0,0,0,0|1,0,0]=3 10143 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,2,0,0,0,0|1,0,0]=3 10144 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,2,0,0,0,0|1,0,0]=3 10145 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,2,0,0,0,0|1,0,0]=3 10146 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,2,0,0,0,0|1,0,0]=3 10147 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,2,0,0,0,0|1,0,0]=3 10148 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,2,0,0,0,0|1,0,0]=3 10149 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,2,0,0,0,0|1,0,0]=3 10150 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,2,0,0,0,0|1,0,0]=3 10151 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,2,0,0,0,0|1,0,0]=3 10152 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,2,0,0,0,0|1,0,0]=3 10153 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,2,0,0,0,0|1,0,0]=3 10154 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,2,0,0,0,0|1,0,0]=3 10155 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,2,0,0,0,0|1,0,0]=3 10156 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,2,0,0,0,0|1,0,0]=3 10157 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,2,0,0,0,0|1,0,0]=3 10158 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,2,0,0,0,0|1,0,0]=3 10159 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,2,0,0,0,0|1,0,0]=3 10160 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,2,0,0,0,0|1,0,0]=3 10161 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,2,0,0,0,0|1,0,0]=3 10162 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,2,0,0,0,0|1,0,0]=3 10163 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,2,0,0,0,0|1,0,0]=3 10164 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,2,0,0,0,0|1,0,0]=3 10165 B13R1.40 CNC(=O)Cn1cccc(c1=O)C 240690a_100102657272_100000697016 [0,2,0,0,0,0|2,0,0]=4 10166 B13R1.40 CNC(=O)Cn1cccc(c1=O)C 527a_100102657272_100000697016 [0,2,0,0,0,0|2,0,0]=4 10167 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,2,0,0,0,0|2,0,0]=4 10168 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,2,0,0,0,0|2,0,0]=4 10169 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,2,0,0,0,0|2,0,0]=4 10170 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,2,0,0,0,0|2,0,0]=4 10171 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,2,0,0,0,0|2,0,0]=4 10172 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,2,0,0,0,0|2,0,0]=4 10173 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,2,0,0,0,0|2,0,0]=4 10174 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,2,0,0,0,0|2,0,0]=4 10175 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,2,0,0,0,0|2,0,0]=4 10176 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,2,0,0,0,0|2,0,0]=4 10177 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,2,0,0,0,0|2,0,0]=4 10178 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,2,0,0,0,0|2,0,0]=4 10179 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,2,0,0,0,0|2,0,0]=4 10180 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,2,0,0,0,0|2,0,0]=4 10181 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,2,0,0,0,0|2,0,0]=4 10182 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,2,0,0,0,0|2,0,0]=4 10183 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,2,0,0,0,0|2,0,0]=4 10184 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,2,0,0,0,0|2,0,0]=4 10185 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,2,0,0,0,0|2,0,0]=4 10186 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,2,0,0,0,0|2,0,0]=4 10187 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,2,0,0,0,0|2,0,0]=4 10188 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,2,0,0,0,0|2,0,0]=4 10189 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,2,0,0,0,0|2,0,0]=4 10190 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,2,0,0,0,0|2,0,0]=4 10191 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,2,0,0,0,0|2,0,0]=4 10192 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,2,0,0,0,0|2,0,0]=4 10193 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,2,0,0,0,0|2,0,0]=4 10194 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,2,0,0,0,0|2,0,0]=4 10195 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,2,0,0,0,0|2,0,0]=4 10196 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,2,0,0,0,0|2,0,0]=4 10197 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,2,0,0,0,0|2,0,0]=4 10198 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,2,0,0,0,0|2,0,0]=4 10199 B13R1.40 COC(=O)Cc1cccc(c1F)O 271570a_203496583355_100010741560 [0,2,0,0,0,0|0,0,0]=2 10200 B13R1.40 COC(=O)Cc1cccc(c1O)C 271570a_203496583355_200010150888 [0,2,0,0,0,0|0,0,0]=2 10201 B13R1.40 COC(=O)Cc1cccc(c1O)O 271570a_203496583355_100010150830 [0,2,0,0,0,0|0,0,0]=2 10202 B13R1.40 Cc1c(cccc1CC(=O)CF)F 1458a_100000035905_100015361967 [0,2,0,0,0,0|2,0,0]=4 10203 B13R1.40 Cc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100000694682 [0,2,0,0,0,0|2,0,0]=4 10204 B13R1.40 Cc1c(cccc1CC(=O)CO)Cl 1458a_100000210174_100012186920 [0,2,0,0,0,0|2,0,0]=4 10205 B13R1.40 Cc1c(cccc1CC(=O)CO)F 1458a_100000210174_100009813626 [0,2,0,0,0,0|2,0,0]=4 10206 B13R1.40 Cc1c(cccc1CC(=O)CO)I 1458a_100000210174_100010150147 [0,2,0,0,0,0|2,0,0]=4 10207 B13R1.40 Cc1cccc(c1Br)CC(=O)CF 1458a_100010147021_100015361967 [0,2,0,0,0,0|2,0,0]=4 10208 B13R1.40 Cc1cccc(c1Br)CC(=O)CO 1458a_100000210174_200012349612 [0,2,0,0,0,0|2,0,0]=4 10209 B13R1.40 Cc1cccc(c1C)CC(=O)CF 1458a_100011698479_100015361967 [0,2,0,0,0,0|2,0,0]=4 10210 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,2,0,0,0,0|2,0,0]=4 10211 B13R1.40 Cc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011216058 [0,2,0,0,0,0|2,0,0]=4 10212 B13R1.40 O=C(CF)Cc1cccc(c1Br)Cl 1458a_100010145769_100015361967 [0,2,0,0,0,0|2,0,0]=4 10213 B13R1.40 O=C(CF)Cc1cccc(c1Br)F 1458a_100012356664_100015361967 [0,2,0,0,0,0|2,0,0]=4 10214 B13R1.40 O=C(CF)Cc1cccc(c1Cl)Br 1458a_100010145770_100015361967 [0,2,0,0,0,0|2,0,0]=4 10215 B13R1.40 O=C(CF)Cc1cccc(c1Cl)Cl 1458a_100000759314_100015361967 [0,2,0,0,0,0|2,0,0]=4 10216 B13R1.40 O=C(CF)Cc1cccc(c1Cl)F 1458a_100012001123_100015361967 [0,2,0,0,0,0|2,0,0]=4 10217 B13R1.40 O=C(CF)Cc1cccc(c1F)Br 1458a_100011935088_100015361967 [0,2,0,0,0,0|2,0,0]=4 10218 B13R1.40 O=C(CF)Cc1cccc(c1F)Cl 1458a_100000709823_100015361967 [0,2,0,0,0,0|2,0,0]=4 10219 B13R1.40 O=C(CF)Cc1cccc(c1F)F 1458a_100000684727_100015361967 [0,2,0,0,0,0|2,0,0]=4 10220 B13R1.40 O=C(CO)Cc1cccc(c1Br)Cl 1458a_100000210174_100010145525 [0,2,0,0,0,0|2,0,0]=4 10221 B13R1.40 O=C(CO)Cc1cccc(c1Br)F 1458a_100000210174_100012351116 [0,2,0,0,0,0|2,0,0]=4 10222 B13R1.40 O=C(CO)Cc1cccc(c1Br)I 1458a_100000210174_100010254545 [0,2,0,0,0,0|2,0,0]=4 10223 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Br 1458a_100000210174_100012349491 [0,2,0,0,0,0|2,0,0]=4 10224 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Cl 1458a_100000210174_100000720918 [0,2,0,0,0,0|2,0,0]=4 10225 B13R1.40 O=C(CO)Cc1cccc(c1Cl)F 1458a_100000210174_100000696688 [0,2,0,0,0,0|2,0,0]=4 10226 B13R1.40 O=C(CO)Cc1cccc(c1F)Br 1458a_100000210174_100012356507 [0,2,0,0,0,0|2,0,0]=4 10227 B13R1.40 O=C(CO)Cc1cccc(c1F)Cl 1458a_100000210174_100000716733 [0,2,0,0,0,0|2,0,0]=4 10228 B13R1.40 O=C(CO)Cc1cccc(c1F)F 1458a_100000210174_100000217499 [0,2,0,0,0,0|2,0,0]=4 10229 B13R1.40 O=C(CO)Cc1cccc(c1I)F 1458a_100000210174_100010149603 [0,2,0,0,0,0|2,0,0]=4 10230 B13R1.81 C#CC(=O)Cc1cccc(c1)C#N 1458a_100000211873_100000233786 [0,2,0,0,0,0|1,0,1]=4 10231 B13R1.81 C#CC(=O)Cc1cccc(c1)C=O 1458a_100000211873_100009816774 [0,2,0,0,0,0|1,0,1]=4 10232 B13R1.81 C#CC(=O)Cc1cccc(c1)CO 1458a_100000211873_100010188025 [0,2,0,0,0,0|1,0,1]=4 10233 B13R1.81 C#CC(=O)Cc1cccc(c1)OC 1458a_100000211873_100000211672 [0,2,0,0,0,0|1,0,1]=4 10234 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 11a_100000735509_100000210414 [0,2,0,0,0,0|2,0,0]=4 10235 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 1626a_100000735509_100000210414 [0,2,0,0,0,0|2,0,0]=4 10236 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 22a_100000735509_100000210414 [0,2,0,0,0,0|2,0,0]=4 10237 B13R1.81 C#Cc1cccc(c1)NC(=O)CC 527a_100000735509_100000210414 [0,2,0,0,0,0|2,0,0]=4 10238 B13R1.81 C#Cc1cccc(c1)NC(=O)NC 2430a_100000735509_100102657272 [0,2,0,0,0,0|2,0,0]=4 10239 B13R1.81 C#Cc1cccc(c1)NC(=O)NC 512a_100000735509_100102657272 [0,2,0,0,0,0|2,0,0]=4 10240 B13R1.81 C=CC(=O)Cc1cccc(c1)C#N 1458a_100000185746_100000233786 [0,2,0,0,0,0|1,0,1]=4 10241 B13R1.81 C=CC(=O)Cc1cccc(c1)C=O 1458a_100000185746_100009816774 [0,2,0,0,0,0|1,0,1]=4 10242 B13R1.81 C=CC(=O)Cc1cccc(c1)CO 1458a_100000185746_100010188025 [0,2,0,0,0,0|1,0,1]=4 10243 B13R1.81 C=CC(=O)Cc1cccc(c1)OC 1458a_100000185746_100000211672 [0,2,0,0,0,0|1,0,1]=4 10244 B13R1.81 C=Cc1cc(ccn1)CC(=O)OC 271570a_100011290941_100010135589 [0,2,0,0,0,0|1,0,0]=3 10245 B13R1.81 C=Cc1cc(ncn1)CC(=O)OC 271570a_100011290941_100000104187 [0,2,0,0,0,0|2,0,0]=4 10246 B13R1.81 C=Cc1cccc(c1)CC(=O)OC 271570a_100011290941_100000699549 [0,2,0,0,0,0|0,0,0]=2 10247 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 11a_100011827668_100000210414 [0,2,0,0,0,0|2,0,0]=4 10248 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 1626a_100011827668_100000210414 [0,2,0,0,0,0|2,0,0]=4 10249 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 22a_100011827668_100000210414 [0,2,0,0,0,0|2,0,0]=4 10250 B13R1.81 C=Cc1cccc(c1)NC(=O)CC 527a_100011827668_100000210414 [0,2,0,0,0,0|2,0,0]=4 10251 B13R1.81 C=Cc1cccc(c1)NC(=O)NC 2430a_100011827668_100102657272 [0,2,0,0,0,0|2,0,0]=4 10252 B13R1.81 C=Cc1cccc(n1)CC(=O)OC 271570a_100011290941_100000094215 [0,2,0,0,0,0|1,0,0]=3 10253 B13R1.81 C=Cc1ccnc(c1)CC(=O)OC 271570a_100011290941_100010275543 [0,2,0,0,0,0|1,0,0]=3 10254 B13R1.81 CCC(=O)Cc1cc(ccn1)OC 1458a_100000210414_100000752681 [0,2,0,0,0,0|2,0,0]=4 10255 B13R1.81 CCC(=O)Cc1cccc(c1)C#N 1458a_100000210414_100000233786 [0,2,0,0,0,0|1,0,0]=3 10256 B13R1.81 CCC(=O)Cc1cccc(c1)C#N 1458a_100000684415_100000210202 [0,2,0,0,0,0|1,0,0]=3 10257 B13R1.81 CCC(=O)Cc1cccc(c1)C=O 1458a_100000210414_100009816774 [0,2,0,0,0,0|1,0,0]=3 10258 B13R1.81 CCC(=O)Cc1cccc(c1)CO 1458a_100000210414_100010188025 [0,2,0,0,0,0|1,0,0]=3 10259 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000210414_100000211672 [0,2,0,0,0,0|1,0,0]=3 10260 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000211281_100000210202 [0,2,0,0,0,0|1,0,0]=3 10261 B13R1.81 CCC(=O)Cc1cccc(c1)SC 1458a_100000035702_100000210202 [0,2,0,0,0,0|1,0,0]=3 10262 B13R1.81 CCC(=O)Cc1cccc(n1)C#N 1458a_100000210414_100000097530 [0,2,0,0,0,0|2,0,0]=4 10263 B13R1.81 CCC(=O)Cc1cccc(n1)CO 1458a_100000210414_100009813551 [0,2,0,0,0,0|2,0,0]=4 10264 B13R1.81 CCC(=O)Cc1cccc(n1)OC 1458a_100000210414_100000755263 [0,2,0,0,0,0|2,0,0]=4 10265 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000210414_100103152439 [0,2,0,0,0,0|2,0,0]=4 10266 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000718155_100000210202 [0,2,0,0,0,0|2,0,0]=4 10267 B13R1.81 CCC(=O)Cc1cncc(c1)C#N 1458a_100000210414_200020634941 [0,2,0,0,0,0|2,0,0]=4 10268 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 11a_100000210922_100000210414 [0,2,0,0,0,0|2,0,0]=4 10269 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100000210414 [0,2,0,0,0,0|2,0,0]=4 10270 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000210414 [0,2,0,0,0,0|2,0,0]=4 10271 B13R1.81 CCC(=O)Nc1cccc(c1)C#N 527a_100000210922_100000210414 [0,2,0,0,0,0|2,0,0]=4 10272 B13R1.81 CCC(=O)Nc1cccc(c1)CC 11a_100000211250_100000210414 [0,2,0,0,0,0|2,0,0]=4 10273 B13R1.81 CCC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000210414 [0,2,0,0,0,0|2,0,0]=4 10274 B13R1.81 CCC(=O)Nc1cccc(c1)CC 22a_100000211250_100000210414 [0,2,0,0,0,0|2,0,0]=4 10275 B13R1.81 CCC(=O)Nc1cccc(c1)CC 527a_100000211250_100000210414 [0,2,0,0,0,0|2,0,0]=4 10276 B13R1.81 CCC(=O)Nc1cccc(c1)CF 11a_100000126320_100000210414 [0,2,0,0,0,0|2,0,0]=4 10277 B13R1.81 CCC(=O)Nc1cccc(c1)CF 1626a_100000126320_100000210414 [0,2,0,0,0,0|2,0,0]=4 10278 B13R1.81 CCC(=O)Nc1cccc(c1)CF 22a_100000126320_100000210414 [0,2,0,0,0,0|2,0,0]=4 10279 B13R1.81 CCC(=O)Nc1cccc(c1)CF 527a_100000126320_100000210414 [0,2,0,0,0,0|2,0,0]=4 10280 B13R1.81 CCC(=O)Nc1cccc(c1)CO 22a_100000211919_100000210414 [0,2,0,0,0,0|2,0,0]=4 10281 B13R1.81 CCC(=O)Nc1cccc(c1)NC 34a_100000186510_200000210301 [0,2,0,0,0,0|2,0,0]=4 10282 B13R1.81 CCC(=O)Nc1cccc(c1)N[13CH3] 34a_100000186510_200025704644 [0,2,0,0,0,0|2,0,0]=4 10283 B13R1.81 CCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210414 [0,2,0,0,0,0|2,0,0]=4 10284 B13R1.81 CCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210414 [0,2,0,0,0,0|2,0,0]=4 10285 B13R1.81 CCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210414 [0,2,0,0,0,0|2,0,0]=4 10286 B13R1.81 CCC(=O)Nc1cccc(c1)OC 34a_100000158609_200000210301 [0,2,0,0,0,0|2,0,0]=4 10287 B13R1.81 CCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210414 [0,2,0,0,0,0|2,0,0]=4 10288 B13R1.81 CCC(=O)Nc1cccc(c1)OC 7a_100000158609_200000210301 [0,2,0,0,0,0|2,0,0]=4 10289 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158609_200025704644 [0,2,0,0,0,0|2,0,0]=4 10290 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158609_200025704644 [0,2,0,0,0,0|2,0,0]=4 10291 B13R1.81 CCC(=O)Nc1cccc(c1)SC 11a_100000210049_100000210414 [0,2,0,0,0,0|2,0,0]=4 10292 B13R1.81 CCC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000210414 [0,2,0,0,0,0|2,0,0]=4 10293 B13R1.81 CCC(=O)Nc1cccc(c1)SC 22a_100000210049_100000210414 [0,2,0,0,0,0|2,0,0]=4 10294 B13R1.81 CCC(=O)Nc1cccc(c1)SC 527a_100000210049_100000210414 [0,2,0,0,0,0|2,0,0]=4 10295 B13R1.81 CCc1cccc(c1)NC(=O)NC 2430a_100000211250_100102657272 [0,2,0,0,0,0|2,0,0]=4 10296 B13R1.81 CCc1cccc(c1)NC(=O)NC 512a_100000211250_100102657272 [0,2,0,0,0,0|2,0,0]=4 10297 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 11a_106832991635_100000684415 [0,2,0,0,0,0|1,0,0]=3 10298 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 1626a_100102657272_100000684415 [0,2,0,0,0,0|1,0,0]=3 10299 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 240690a_100102657272_100000684415 [0,2,0,0,0,0|1,0,0]=3 10300 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 527a_100102657272_100000684415 [0,2,0,0,0,0|1,0,0]=3 10301 B13R1.81 CNC(=O)Cc1cccc(c1)NC 2230a_100011690097_200000210301 [0,2,0,0,0,0|1,0,0]=3 10302 B13R1.81 CNC(=O)Cc1cccc(c1)NC 34a_100011690097_200000210301 [0,2,0,0,0,0|1,0,0]=3 10303 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 2230a_100011690097_200025704644 [0,2,0,0,0,0|1,0,0]=3 10304 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 34a_100011690097_200025704644 [0,2,0,0,0,0|1,0,0]=3 10305 B13R1.81 CNC(=O)Cc1cccc(c1)OC 11a_106832991635_100000211281 [0,2,0,0,0,0|1,0,0]=3 10306 B13R1.81 CNC(=O)Cc1cccc(c1)OC 1626a_100102657272_100000211281 [0,2,0,0,0,0|1,0,0]=3 10307 B13R1.81 CNC(=O)Cc1cccc(c1)OC 240690a_100102657272_100000211281 [0,2,0,0,0,0|1,0,0]=3 10308 B13R1.81 CNC(=O)Cc1cccc(c1)OC 527a_100102657272_100000211281 [0,2,0,0,0,0|1,0,0]=3 10309 B13R1.81 CNC(=O)Cc1cccc(c1)SC 11a_106832991635_100000035702 [0,2,0,0,0,0|1,0,0]=3 10310 B13R1.81 CNC(=O)Cc1cccc(c1)SC 1626a_100102657272_100000035702 [0,2,0,0,0,0|1,0,0]=3 10311 B13R1.81 CNC(=O)Cc1cccc(c1)SC 240690a_100102657272_100000035702 [0,2,0,0,0,0|1,0,0]=3 10312 B13R1.81 CNC(=O)Cc1cccc(c1)SC 527a_100102657272_100000035702 [0,2,0,0,0,0|1,0,0]=3 10313 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 11a_106832991635_100000718155 [0,2,0,0,0,0|2,0,0]=4 10314 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 240690a_100102657272_100000718155 [0,2,0,0,0,0|2,0,0]=4 10315 B13R1.81 CNC(=O)Nc1cccc(c1)C#N 2430a_100000210922_100102657272 [0,2,0,0,0,0|2,0,0]=4 10316 B13R1.81 CNC(=O)Nc1cccc(c1)C#N 512a_100000210922_100102657272 [0,2,0,0,0,0|2,0,0]=4 10317 B13R1.81 CNC(=O)Nc1cccc(c1)CF 2430a_100000126320_100102657272 [0,2,0,0,0,0|2,0,0]=4 10318 B13R1.81 CNC(=O)Nc1cccc(c1)CF 512a_100000126320_100102657272 [0,2,0,0,0,0|2,0,0]=4 10319 B13R1.81 CNC(=O)Nc1cccc(c1)CO 2430a_100000211919_100102657272 [0,2,0,0,0,0|2,0,0]=4 10320 B13R1.81 CNC(=O)Nc1cccc(c1)OC 2430a_100000210024_100102657272 [0,2,0,0,0,0|2,0,0]=4 10321 B13R1.81 CNC(=O)Nc1cccc(c1)OC 512a_100000210024_100102657272 [0,2,0,0,0,0|2,0,0]=4 10322 B13R1.81 CNC(=O)Nc1cccc(c1)SC 2430a_100000210049_100102657272 [0,2,0,0,0,0|2,0,0]=4 10323 B13R1.81 CNC(=O)Nc1cccc(c1)SC 512a_100000210049_100102657272 [0,2,0,0,0,0|2,0,0]=4 10324 B13R1.81 CNc1cc(ncn1)CC(=O)OC 27a_100102657272_100000104187 [0,2,0,0,0,0|2,0,0]=4 10325 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_100010275543_200000210301 [0,2,0,0,0,0|1,0,0]=3 10326 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_200000210301_100010275543 [0,2,0,0,0,0|1,0,0]=3 10327 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_100010275543_200025704644 [0,2,0,0,0,0|1,0,0]=3 10328 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_200025704644_100010275543 [0,2,0,0,0,0|1,0,0]=3 10329 B13R1.81 COC(=O)Cc1cc(ncn1)SC 62a_100000104187_200000210301 [0,2,0,0,0,0|2,0,0]=4 10330 B13R1.81 COC(=O)Cc1cc(ncn1)SC 62a_200000210301_100000104187 [0,2,0,0,0,0|2,0,0]=4 10331 B13R1.81 COC(=O)Cc1cc(ncn1)S[13CH3] 62a_100000104187_200025704644 [0,2,0,0,0,0|2,0,0]=4 10332 B13R1.81 COC(=O)Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000104187 [0,2,0,0,0,0|2,0,0]=4 10333 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_100000699549_200000210301 [0,2,0,0,0,0|0,0,0]=2 10334 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_200000210301_100000699549 [0,2,0,0,0,0|0,0,0]=2 10335 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_100000699549_200025704644 [0,2,0,0,0,0|0,0,0]=2 10336 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000699549 [0,2,0,0,0,0|0,0,0]=2 10337 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_100000094215_200000210301 [0,2,0,0,0,0|1,0,0]=3 10338 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_200000210301_100000094215 [0,2,0,0,0,0|1,0,0]=3 10339 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_100000094215_200025704644 [0,2,0,0,0,0|1,0,0]=3 10340 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_200025704644_100000094215 [0,2,0,0,0,0|1,0,0]=3 10341 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_100010135589_200000210301 [0,2,0,0,0,0|1,0,0]=3 10342 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_200000210301_100010135589 [0,2,0,0,0,0|1,0,0]=3 10343 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_100010135589_200025704644 [0,2,0,0,0,0|1,0,0]=3 10344 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_200025704644_100010135589 [0,2,0,0,0,0|1,0,0]=3 10345 B13R1.81 COC(=O)Nc1cccc(c1)OC 34a_100000741004_200000210301 [0,2,0,0,0,0|1,0,0]=3 10346 B13R1.81 COC(=O)Nc1cccc(c1)OC 7a_100000741004_200000210301 [0,2,0,0,0,0|1,0,0]=3 10347 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 34a_100000741004_200025704644 [0,2,0,0,0,0|1,0,0]=3 10348 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 7a_100000741004_200025704644 [0,2,0,0,0,0|1,0,0]=3 10349 B13R1.81 COc1cccc(c1)CC(=O)CF 1458a_100000211281_100015361967 [0,2,0,0,0,0|2,0,0]=4 10350 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [0,2,0,0,0,0|2,0,0]=4 10351 B13R1.81 COc1cccc(c1)CC(=O)NN 34a_100011472680_200000210301 [0,2,0,0,0,0|2,0,0]=4 10352 B13R1.81 CSc1cccc(c1)CC(=O)CF 1458a_100000035702_100015361967 [0,2,0,0,0,0|2,0,0]=4 10353 B13R1.81 N#Cc1cccc(c1)CC(=O)CF 1458a_100000684415_100015361967 [0,2,0,0,0,0|2,0,0]=4 10354 B13R1.81 N#Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000233786 [0,2,0,0,0,0|2,0,0]=4 10355 B13R1.81 O=C(CO)Cc1cccc(c1)CO 1458a_100000210174_100010188025 [0,2,0,0,0,0|2,0,0]=4 10356 B13R1.81 O=Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100009816774 [0,2,0,0,0,0|2,0,0]=4 10357 B13R1.81 [13CH3]Oc1cccc(c1)CC(=O)NN 34a_100011472680_200025704644 [0,2,0,0,0,0|2,0,0]=4 10358 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Br 270084a_100102657272_100000726588 [0,2,0,0,0,0|2,0,0]=4 10359 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Br 274078a_100102657272_100000726588 [0,2,0,0,0,0|2,0,0]=4 10360 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 270084a_100102657272_100000743697 [0,2,0,0,0,0|2,0,0]=4 10361 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 274078a_100102657272_100000743697 [0,2,0,0,0,0|2,0,0]=4 10362 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 40a_100102657272_100015207158 [0,2,0,0,0,0|2,0,0]=4 10363 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Cl 270084a_100102657272_100000725668 [0,2,0,0,0,0|2,0,0]=4 10364 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Cl 274078a_100102657272_100000725668 [0,2,0,0,0,0|2,0,0]=4 10365 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)F 270084a_100102657272_100000750188 [0,2,0,0,0,0|2,0,0]=4 10366 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)F 274078a_100102657272_100000750188 [0,2,0,0,0,0|2,0,0]=4 10367 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)Br 1458a_100000211873_100011982794 [0,2,0,0,0,0|1,0,1]=4 10368 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000211873_100000733903 [0,2,0,0,0,0|1,0,1]=4 10369 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)F 1458a_100000211873_100000736370 [0,2,0,0,0,0|1,0,1]=4 10370 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)I 1458a_100000211873_100012355412 [0,2,0,0,0,0|1,0,1]=4 10371 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)C 1458a_100000211873_100000184699 [0,2,0,0,0,0|1,0,1]=4 10372 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)Cl 1458a_100000211873_100012186985 [0,2,0,0,0,0|1,0,1]=4 10373 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)F 1458a_100000211873_100000709795 [0,2,0,0,0,0|1,0,1]=4 10374 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000211873_100000763347 [0,2,0,0,0,0|1,0,1]=4 10375 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)C 1458a_100000211873_100009871730 [0,2,0,0,0,0|1,0,1]=4 10376 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000211873_100000754809 [0,2,0,0,0,0|1,0,1]=4 10377 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)F 1458a_100000211873_100000709952 [0,2,0,0,0,0|1,0,1]=4 10378 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)I 1458a_100000211873_100010188191 [0,2,0,0,0,0|1,0,1]=4 10379 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)Br 1458a_100000211873_100000736399 [0,2,0,0,0,0|1,0,1]=4 10380 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)C 1458a_100000211873_100011260760 [0,2,0,0,0,0|1,0,1]=4 10381 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)Cl 1458a_100000211873_100000716957 [0,2,0,0,0,0|1,0,1]=4 10382 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)F 1458a_100000211873_100000741279 [0,2,0,0,0,0|1,0,1]=4 10383 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)I 1458a_100000211873_200010149601 [0,2,0,0,0,0|1,0,1]=4 10384 B13R1.2872 C#CC(=O)Cc1cc(ccc1I)Br 1458a_100000211873_100012362523 [0,2,0,0,0,0|1,0,1]=4 10385 B13R1.2872 C#CC(=O)Cc1cc(ccc1I)Cl 1458a_100000211873_100012348826 [0,2,0,0,0,0|1,0,1]=4 10386 B13R1.2872 C#CC(=O)Cc1cc(ccc1I)F 1458a_100000211873_100010149606 [0,2,0,0,0,0|1,0,1]=4 10387 B13R1.2872 C#CC(=O)Cc1cc(ccc1O)F 1458a_100000211873_100010161318 [0,2,0,0,0,0|1,0,1]=4 10388 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)Br 1458a_100000185746_100011982794 [0,2,0,0,0,0|1,0,1]=4 10389 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000185746_100000733903 [0,2,0,0,0,0|1,0,1]=4 10390 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)F 1458a_100000185746_100000736370 [0,2,0,0,0,0|1,0,1]=4 10391 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)I 1458a_100000185746_100012355412 [0,2,0,0,0,0|1,0,1]=4 10392 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)C 1458a_100000185746_100000184699 [0,2,0,0,0,0|1,0,1]=4 10393 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)Cl 1458a_100000185746_100012186985 [0,2,0,0,0,0|1,0,1]=4 10394 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)F 1458a_100000185746_100000709795 [0,2,0,0,0,0|1,0,1]=4 10395 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000185746_100000763347 [0,2,0,0,0,0|1,0,1]=4 10396 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)C 1458a_100000185746_100009871730 [0,2,0,0,0,0|1,0,1]=4 10397 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000185746_100000754809 [0,2,0,0,0,0|1,0,1]=4 10398 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)F 1458a_100000185746_100000709952 [0,2,0,0,0,0|1,0,1]=4 10399 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)I 1458a_100000185746_100010188191 [0,2,0,0,0,0|1,0,1]=4 10400 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)Br 1458a_100000185746_100000736399 [0,2,0,0,0,0|1,0,1]=4 10401 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)C 1458a_100000185746_100011260760 [0,2,0,0,0,0|1,0,1]=4 10402 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)Cl 1458a_100000185746_100000716957 [0,2,0,0,0,0|1,0,1]=4 10403 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)F 1458a_100000185746_100000741279 [0,2,0,0,0,0|1,0,1]=4 10404 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)I 1458a_100000185746_200010149601 [0,2,0,0,0,0|1,0,1]=4 10405 B13R1.2872 C=CC(=O)Cc1cc(ccc1I)Br 1458a_100000185746_100012362523 [0,2,0,0,0,0|1,0,1]=4 10406 B13R1.2872 C=CC(=O)Cc1cc(ccc1I)Cl 1458a_100000185746_100012348826 [0,2,0,0,0,0|1,0,1]=4 10407 B13R1.2872 C=CC(=O)Cc1cc(ccc1I)F 1458a_100000185746_100010149606 [0,2,0,0,0,0|1,0,1]=4 10408 B13R1.2872 C=CC(=O)Cc1cc(ccc1O)F 1458a_100000185746_100010161318 [0,2,0,0,0,0|1,0,1]=4 10409 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100000210414_100011982794 [0,2,0,0,0,0|1,0,0]=3 10410 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_100000210202 [0,2,0,0,0,0|1,0,0]=3 10411 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_100000210202 [0,2,0,0,0,0|1,0,0]=3 10412 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000210414_100000733903 [0,2,0,0,0,0|1,0,0]=3 10413 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_100000210202 [0,2,0,0,0,0|1,0,0]=3 10414 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000210414_100000736370 [0,2,0,0,0,0|1,0,0]=3 10415 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_100000210202 [0,2,0,0,0,0|1,0,0]=3 10416 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)I 1458a_100000210414_100012355412 [0,2,0,0,0,0|1,0,0]=3 10417 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_100000210202 [0,2,0,0,0,0|1,0,0]=3 10418 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000210414_100000184699 [0,2,0,0,0,0|1,0,0]=3 10419 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000749331_100000210202 [0,2,0,0,0,0|1,0,0]=3 10420 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Cl 1458a_100000210414_100012186985 [0,2,0,0,0,0|1,0,0]=3 10421 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100000210414_100000709795 [0,2,0,0,0,0|1,0,0]=3 10422 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100011219217_100000210202 [0,2,0,0,0,0|1,0,0]=3 10423 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100000210414_100000763347 [0,2,0,0,0,0|1,0,0]=3 10424 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_100000210202 [0,2,0,0,0,0|1,0,0]=3 10425 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)C 1458a_100000210414_100009871730 [0,2,0,0,0,0|1,0,0]=3 10426 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000210414_100000754809 [0,2,0,0,0,0|1,0,0]=3 10427 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100000210202 [0,2,0,0,0,0|1,0,0]=3 10428 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100000210414_100000709952 [0,2,0,0,0,0|1,0,0]=3 10429 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_100000210202 [0,2,0,0,0,0|1,0,0]=3 10430 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)I 1458a_100000210414_100010188191 [0,2,0,0,0,0|1,0,0]=3 10431 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000210414_100000736399 [0,2,0,0,0,0|1,0,0]=3 10432 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_100000210202 [0,2,0,0,0,0|1,0,0]=3 10433 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100000210414_100011260760 [0,2,0,0,0,0|1,0,0]=3 10434 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100011667363_100000210202 [0,2,0,0,0,0|1,0,0]=3 10435 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100000210414_100000716957 [0,2,0,0,0,0|1,0,0]=3 10436 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_100000210202 [0,2,0,0,0,0|1,0,0]=3 10437 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000210414_100000741279 [0,2,0,0,0,0|1,0,0]=3 10438 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000762760_100000210202 [0,2,0,0,0,0|1,0,0]=3 10439 B13R1.2872 CCC(=O)Cc1cc(ccc1F)I 1458a_100000210414_200010149601 [0,2,0,0,0,0|1,0,0]=3 10440 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Br 1458a_100000210414_100012362523 [0,2,0,0,0,0|1,0,0]=3 10441 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Cl 1458a_100000210414_100012348826 [0,2,0,0,0,0|1,0,0]=3 10442 B13R1.2872 CCC(=O)Cc1cc(ccc1I)F 1458a_100000210414_100010149606 [0,2,0,0,0,0|1,0,0]=3 10443 B13R1.2872 CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210202 [0,2,0,0,0,0|1,0,0]=3 10444 B13R1.2872 CCC(=O)Cc1cc(ccc1O)F 1458a_100000210414_100010161318 [0,2,0,0,0,0|1,0,0]=3 10445 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [0,2,0,0,0,0|1,0,0]=3 10446 B13R1.2872 CCC(=O)Cc1cc(cnc1Br)Br 1458a_100000210414_100010253922 [0,2,0,0,0,0|2,0,0]=4 10447 B13R1.2872 CCC(=O)Cc1cc(cnc1Cl)Br 1458a_100000210414_100009816982 [0,2,0,0,0,0|2,0,0]=4 10448 B13R1.2872 CCC(=O)Cc1nc(ccc1Cl)C 1458a_100000210414_200009852033 [0,2,0,0,0,0|2,0,0]=4 10449 B13R1.2872 CCC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000210414_100000059412 [0,2,0,0,0,0|2,0,0]=4 10450 B13R1.2872 CCC(=O)Cc1nc(ccc1F)Br 1458a_100000210414_100010065826 [0,2,0,0,0,0|2,0,0]=4 10451 B13R1.2872 CCC(=O)Cc1nc(ccc1F)Cl 1458a_100000210414_100009881012 [0,2,0,0,0,0|2,0,0]=4 10452 B13R1.2872 CCC(=O)Cc1nc(ccc1O)C 1458a_100000210414_100020630696 [0,2,0,0,0,0|2,0,0]=4 10453 B13R1.2872 CCC(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_100000210202 [0,2,0,0,0,0|2,0,0]=4 10454 B13R1.2872 CCC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_100000210202 [0,2,0,0,0,0|2,0,0]=4 10455 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100000210414 [0,2,0,0,0,0|2,0,0]=4 10456 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100000210414 [0,2,0,0,0,0|2,0,0]=4 10457 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100000210414 [0,2,0,0,0,0|2,0,0]=4 10458 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000210414 [0,2,0,0,0,0|2,0,0]=4 10459 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100000210414 [0,2,0,0,0,0|2,0,0]=4 10460 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100000210414 [0,2,0,0,0,0|2,0,0]=4 10461 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100000210414 [0,2,0,0,0,0|2,0,0]=4 10462 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100000210414 [0,2,0,0,0,0|2,0,0]=4 10463 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100000210414 [0,2,0,0,0,0|2,0,0]=4 10464 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100000210414 [0,2,0,0,0,0|2,0,0]=4 10465 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000210414 [0,2,0,0,0,0|2,0,0]=4 10466 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100000210414 [0,2,0,0,0,0|2,0,0]=4 10467 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100000210414 [0,2,0,0,0,0|2,0,0]=4 10468 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000210414 [0,2,0,0,0,0|2,0,0]=4 10469 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000210414 [0,2,0,0,0,0|2,0,0]=4 10470 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100000210414 [0,2,0,0,0,0|2,0,0]=4 10471 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 11a_100000185781_100000210414 [0,2,0,0,0,0|2,0,0]=4 10472 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000210414 [0,2,0,0,0,0|2,0,0]=4 10473 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000210414 [0,2,0,0,0,0|2,0,0]=4 10474 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100000210414 [0,2,0,0,0,0|2,0,0]=4 10475 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000210414 [0,2,0,0,0,0|2,0,0]=4 10476 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000210414 [0,2,0,0,0,0|2,0,0]=4 10477 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100000210414 [0,2,0,0,0,0|2,0,0]=4 10478 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 11a_100000211107_100000210414 [0,2,0,0,0,0|2,0,0]=4 10479 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000210414 [0,2,0,0,0,0|2,0,0]=4 10480 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000210414 [0,2,0,0,0,0|2,0,0]=4 10481 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 11a_100000761890_100000210414 [0,2,0,0,0,0|2,0,0]=4 10482 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000210414 [0,2,0,0,0,0|2,0,0]=4 10483 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000210414 [0,2,0,0,0,0|2,0,0]=4 10484 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 527a_100000761890_100000210414 [0,2,0,0,0,0|2,0,0]=4 10485 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210414 [0,2,0,0,0,0|2,0,0]=4 10486 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210414 [0,2,0,0,0,0|2,0,0]=4 10487 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100000210414 [0,2,0,0,0,0|2,0,0]=4 10488 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100000210414 [0,2,0,0,0,0|2,0,0]=4 10489 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100000210414 [0,2,0,0,0,0|2,0,0]=4 10490 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000210414 [0,2,0,0,0,0|2,0,0]=4 10491 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000210414 [0,2,0,0,0,0|2,0,0]=4 10492 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100000210414 [0,2,0,0,0,0|2,0,0]=4 10493 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100000210414 [0,2,0,0,0,0|2,0,0]=4 10494 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100000210414 [0,2,0,0,0,0|2,0,0]=4 10495 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100000210414 [0,2,0,0,0,0|2,0,0]=4 10496 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100000210414 [0,2,0,0,0,0|2,0,0]=4 10497 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100000210414 [0,2,0,0,0,0|2,0,0]=4 10498 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100000210414 [0,2,0,0,0,0|2,0,0]=4 10499 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100000210414 [0,2,0,0,0,0|2,0,0]=4 10500 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000210414 [0,2,0,0,0,0|2,0,0]=4 10501 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000210414 [0,2,0,0,0,0|2,0,0]=4 10502 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 11a_100000211285_100000210414 [0,2,0,0,0,0|2,0,0]=4 10503 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000210414 [0,2,0,0,0,0|2,0,0]=4 10504 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000210414 [0,2,0,0,0,0|2,0,0]=4 10505 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 527a_100000211285_100000210414 [0,2,0,0,0,0|2,0,0]=4 10506 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100000210414 [0,2,0,0,0,0|2,0,0]=4 10507 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000210414 [0,2,0,0,0,0|2,0,0]=4 10508 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 11a_100000210742_100000210414 [0,2,0,0,0,0|2,0,0]=4 10509 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000210414 [0,2,0,0,0,0|2,0,0]=4 10510 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000210414 [0,2,0,0,0,0|2,0,0]=4 10511 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 11a_100011464823_100000210414 [0,2,0,0,0,0|2,0,0]=4 10512 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000210414 [0,2,0,0,0,0|2,0,0]=4 10513 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210414 [0,2,0,0,0,0|2,0,0]=4 10514 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210414 [0,2,0,0,0,0|2,0,0]=4 10515 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210414 [0,2,0,0,0,0|2,0,0]=4 10516 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100000210414 [0,2,0,0,0,0|2,0,0]=4 10517 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100000210414 [0,2,0,0,0,0|2,0,0]=4 10518 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 11a_100011216686_100000210414 [0,2,0,0,0,0|2,0,0]=4 10519 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000210414 [0,2,0,0,0,0|2,0,0]=4 10520 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100000210414 [0,2,0,0,0,0|2,0,0]=4 10521 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100000210414 [0,2,0,0,0,0|2,0,0]=4 10522 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000210414 [0,2,0,0,0,0|2,0,0]=4 10523 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F 11a_100011218093_100000210414 [0,2,0,0,0,0|2,0,0]=4 10524 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100000210414 [0,2,0,0,0,0|2,0,0]=4 10525 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [0,2,0,0,0,0|2,0,0]=4 10526 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [0,2,0,0,0,0|2,0,0]=4 10527 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,2,0,0,0,0|2,0,0]=4 10528 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,2,0,0,0,0|2,0,0]=4 10529 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [0,2,0,0,0,0|2,0,0]=4 10530 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [0,2,0,0,0,0|2,0,0]=4 10531 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [0,2,0,0,0,0|2,0,0]=4 10532 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [0,2,0,0,0,0|2,0,0]=4 10533 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [0,2,0,0,0,0|2,0,0]=4 10534 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [0,2,0,0,0,0|2,0,0]=4 10535 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,2,0,0,0,0|1,0,0]=3 10536 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,2,0,0,0,0|1,0,0]=3 10537 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,2,0,0,0,0|1,0,0]=3 10538 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,2,0,0,0,0|1,0,0]=3 10539 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,2,0,0,0,0|1,0,0]=3 10540 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,2,0,0,0,0|1,0,0]=3 10541 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,2,0,0,0,0|1,0,0]=3 10542 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,2,0,0,0,0|1,0,0]=3 10543 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,2,0,0,0,0|1,0,0]=3 10544 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,2,0,0,0,0|1,0,0]=3 10545 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,2,0,0,0,0|1,0,0]=3 10546 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,2,0,0,0,0|1,0,0]=3 10547 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,2,0,0,0,0|1,0,0]=3 10548 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,2,0,0,0,0|1,0,0]=3 10549 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,2,0,0,0,0|1,0,0]=3 10550 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,2,0,0,0,0|1,0,0]=3 10551 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,2,0,0,0,0|1,0,0]=3 10552 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,2,0,0,0,0|1,0,0]=3 10553 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,2,0,0,0,0|1,0,0]=3 10554 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,2,0,0,0,0|1,0,0]=3 10555 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,2,0,0,0,0|1,0,0]=3 10556 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,2,0,0,0,0|1,0,0]=3 10557 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,2,0,0,0,0|1,0,0]=3 10558 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,2,0,0,0,0|1,0,0]=3 10559 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,2,0,0,0,0|1,0,0]=3 10560 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,2,0,0,0,0|1,0,0]=3 10561 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,2,0,0,0,0|1,0,0]=3 10562 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,2,0,0,0,0|1,0,0]=3 10563 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,2,0,0,0,0|1,0,0]=3 10564 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,2,0,0,0,0|1,0,0]=3 10565 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,2,0,0,0,0|1,0,0]=3 10566 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,2,0,0,0,0|1,0,0]=3 10567 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,2,0,0,0,0|1,0,0]=3 10568 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,2,0,0,0,0|1,0,0]=3 10569 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,2,0,0,0,0|1,0,0]=3 10570 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,2,0,0,0,0|1,0,0]=3 10571 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,2,0,0,0,0|1,0,0]=3 10572 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,2,0,0,0,0|1,0,0]=3 10573 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,2,0,0,0,0|1,0,0]=3 10574 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,2,0,0,0,0|1,0,0]=3 10575 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,2,0,0,0,0|1,0,0]=3 10576 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,2,0,0,0,0|1,0,0]=3 10577 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,2,0,0,0,0|1,0,0]=3 10578 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,2,0,0,0,0|1,0,0]=3 10579 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,2,0,0,0,0|1,0,0]=3 10580 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,2,0,0,0,0|1,0,0]=3 10581 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,2,0,0,0,0|1,0,0]=3 10582 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,2,0,0,0,0|1,0,0]=3 10583 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,2,0,0,0,0|1,0,0]=3 10584 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,2,0,0,0,0|1,0,0]=3 10585 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,2,0,0,0,0|1,0,0]=3 10586 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,2,0,0,0,0|1,0,0]=3 10587 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,2,0,0,0,0|1,0,0]=3 10588 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,2,0,0,0,0|1,0,0]=3 10589 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,2,0,0,0,0|1,0,0]=3 10590 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,2,0,0,0,0|1,0,0]=3 10591 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)Br 11a_106832991635_200000738489 [0,2,0,0,0,0|2,0,0]=4 10592 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)Br 1626a_100102657272_200000738489 [0,2,0,0,0,0|2,0,0]=4 10593 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)Br 240690a_100102657272_200000738489 [0,2,0,0,0,0|2,0,0]=4 10594 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)Br 527a_100102657272_200000738489 [0,2,0,0,0,0|2,0,0]=4 10595 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 11a_106832991635_100009850670 [0,2,0,0,0,0|2,0,0]=4 10596 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 1626a_100102657272_100009850670 [0,2,0,0,0,0|2,0,0]=4 10597 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 240690a_100102657272_100009850670 [0,2,0,0,0,0|2,0,0]=4 10598 B13R1.2872 CNC(=O)Cn1cc(ccc1=O)C 527a_100102657272_100009850670 [0,2,0,0,0,0|2,0,0]=4 10599 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)Br 2430a_100000737762_100102657272 [0,2,0,0,0,0|2,0,0]=4 10600 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [0,2,0,0,0,0|2,0,0]=4 10601 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)F 2430a_100000687223_100102657272 [0,2,0,0,0,0|2,0,0]=4 10602 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 2430a_100000750456_100102657272 [0,2,0,0,0,0|2,0,0]=4 10603 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 512a_100000750456_100102657272 [0,2,0,0,0,0|2,0,0]=4 10604 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,2,0,0,0,0|2,0,0]=4 10605 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 2430a_100000741167_100102657272 [0,2,0,0,0,0|2,0,0]=4 10606 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 512a_100000741167_100102657272 [0,2,0,0,0,0|2,0,0]=4 10607 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [0,2,0,0,0,0|2,0,0]=4 10608 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl 2430a_100000211374_100102657272 [0,2,0,0,0,0|2,0,0]=4 10609 B13R1.2872 CNC(=O)Nc1cc(ccc1C)F 2430a_100000211107_100102657272 [0,2,0,0,0,0|2,0,0]=4 10610 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 2430a_100000761890_100102657272 [0,2,0,0,0,0|2,0,0]=4 10611 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 512a_100000761890_100102657272 [0,2,0,0,0,0|2,0,0]=4 10612 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,2,0,0,0,0|2,0,0]=4 10613 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,2,0,0,0,0|2,0,0]=4 10614 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,2,0,0,0,0|2,0,0]=4 10615 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,2,0,0,0,0|2,0,0]=4 10616 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,2,0,0,0,0|2,0,0]=4 10617 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,2,0,0,0,0|2,0,0]=4 10618 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 2430a_100000740924_100102657272 [0,2,0,0,0,0|2,0,0]=4 10619 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 512a_100000740924_100102657272 [0,2,0,0,0,0|2,0,0]=4 10620 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [0,2,0,0,0,0|2,0,0]=4 10621 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Cl 2430a_100000212115_100102657272 [0,2,0,0,0,0|2,0,0]=4 10622 B13R1.2872 CNC(=O)Nc1cc(ccc1F)F 2430a_100000210742_100102657272 [0,2,0,0,0,0|2,0,0]=4 10623 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 2430a_100011464823_100102657272 [0,2,0,0,0,0|2,0,0]=4 10624 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 512a_100011464823_100102657272 [0,2,0,0,0,0|2,0,0]=4 10625 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,2,0,0,0,0|2,0,0]=4 10626 B13R1.2872 CNC(=O)Nc1cc(ccc1I)Br 512a_100000743836_100102657272 [0,2,0,0,0,0|2,0,0]=4 10627 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [0,2,0,0,0,0|2,0,0]=4 10628 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 2430a_100011218093_100102657272 [0,2,0,0,0,0|2,0,0]=4 10629 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 512a_100011218093_100102657272 [0,2,0,0,0,0|2,0,0]=4 10630 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,2,0,0,0,0|2,0,0]=4 10631 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,2,0,0,0,0|2,0,0]=4 10632 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,2,0,0,0,0|2,0,0]=4 10633 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,2,0,0,0,0|2,0,0]=4 10634 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,2,0,0,0,0|2,0,0]=4 10635 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [0,2,0,0,0,0|0,0,0]=2 10636 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)Br 1458a_100010004923_100015361967 [0,2,0,0,0,0|2,0,0]=4 10637 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)C 1458a_100000749331_100015361967 [0,2,0,0,0,0|2,0,0]=4 10638 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)F 1458a_100011667363_100015361967 [0,2,0,0,0,0|2,0,0]=4 10639 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,2,0,0,0,0|2,0,0]=4 10640 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,2,0,0,0,0|2,0,0]=4 10641 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,2,0,0,0,0|2,0,0]=4 10642 B13R1.2872 Cc1ccc(cc1CC(=O)CF)Br 1458a_100010244045_100015361967 [0,2,0,0,0,0|2,0,0]=4 10643 B13R1.2872 Cc1ccc(cc1CC(=O)CF)F 1458a_100011219217_100015361967 [0,2,0,0,0,0|2,0,0]=4 10644 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,2,0,0,0,0|2,0,0]=4 10645 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,2,0,0,0,0|2,0,0]=4 10646 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Br 1458a_100010004897_100015361967 [0,2,0,0,0,0|2,0,0]=4 10647 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Cl 1458a_100000690875_100015361967 [0,2,0,0,0,0|2,0,0]=4 10648 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)F 1458a_100000690878_100015361967 [0,2,0,0,0,0|2,0,0]=4 10649 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Br 1458a_100011600618_100015361967 [0,2,0,0,0,0|2,0,0]=4 10650 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100015361967 [0,2,0,0,0,0|2,0,0]=4 10651 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)F 1458a_100011830335_100015361967 [0,2,0,0,0,0|2,0,0]=4 10652 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Br 1458a_100000690877_100015361967 [0,2,0,0,0,0|2,0,0]=4 10653 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Cl 1458a_100011217548_100015361967 [0,2,0,0,0,0|2,0,0]=4 10654 B13R1.2872 O=C(CF)Cc1cc(ccc1F)F 1458a_100000762760_100015361967 [0,2,0,0,0,0|2,0,0]=4 10655 B13R1.2872 O=C(CF)Cc1cc(ccc1O)Br 1458a_100010072483_100015361967 [0,2,0,0,0,0|2,0,0]=4 10656 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [0,2,0,0,0,0|2,0,0]=4 10657 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,2,0,0,0,0|2,0,0]=4 10658 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,2,0,0,0,0|2,0,0]=4 10659 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,2,0,0,0,0|2,0,0]=4 10660 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,2,0,0,0,0|2,0,0]=4 10661 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,2,0,0,0,0|2,0,0]=4 10662 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,2,0,0,0,0|2,0,0]=4 10663 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,2,0,0,0,0|2,0,0]=4 10664 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,2,0,0,0,0|2,0,0]=4 10665 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,2,0,0,0,0|2,0,0]=4 10666 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,2,0,0,0,0|2,0,0]=4 10667 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,2,0,0,0,0|2,0,0]=4 10668 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,2,0,0,0,0|2,0,0]=4 10669 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,2,0,0,0,0|2,0,0]=4 10670 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,2,0,0,0,0|2,0,0]=4 10671 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,2,0,0,0,0|2,0,0]=4 10672 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,2,0,0,0,0|2,0,0]=4 10673 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000211873_100011216082 [0,2,0,0,0,0|1,0,1]=4 10674 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000211873_100012348363 [0,2,0,0,0,0|1,0,1]=4 10675 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000211873_100000766940 [0,2,0,0,0,0|1,0,1]=4 10676 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)C)C 1458a_100000211873_100000181317 [0,2,0,0,0,0|1,0,1]=4 10677 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000211873_100011219208 [0,2,0,0,0,0|1,0,1]=4 10678 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000211873_100011219885 [0,2,0,0,0,0|1,0,1]=4 10679 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)F)C 1458a_100000211873_100011219130 [0,2,0,0,0,0|1,0,1]=4 10680 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)F)F 1458a_100000211873_100000697002 [0,2,0,0,0,0|1,0,1]=4 10681 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000211873_100010146614 [0,2,0,0,0,0|1,0,1]=4 10682 B13R1.2874 C#CC(=O)Cc1cc(cc(c1)I)F 1458a_100000211873_100010149605 [0,2,0,0,0,0|1,0,1]=4 10683 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000185746_100011216082 [0,2,0,0,0,0|1,0,1]=4 10684 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000185746_100012348363 [0,2,0,0,0,0|1,0,1]=4 10685 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000185746_100000766940 [0,2,0,0,0,0|1,0,1]=4 10686 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)C)C 1458a_100000185746_100000181317 [0,2,0,0,0,0|1,0,1]=4 10687 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000185746_100011219208 [0,2,0,0,0,0|1,0,1]=4 10688 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000185746_100011219885 [0,2,0,0,0,0|1,0,1]=4 10689 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)F)C 1458a_100000185746_100011219130 [0,2,0,0,0,0|1,0,1]=4 10690 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)F)F 1458a_100000185746_100000697002 [0,2,0,0,0,0|1,0,1]=4 10691 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000185746_100010146614 [0,2,0,0,0,0|1,0,1]=4 10692 B13R1.2874 C=CC(=O)Cc1cc(cc(c1)I)F 1458a_100000185746_100010149605 [0,2,0,0,0,0|1,0,1]=4 10693 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000210414_100011216082 [0,2,0,0,0,0|1,0,0]=3 10694 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_100000210202 [0,2,0,0,0,0|1,0,0]=3 10695 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)C 1458a_100000210414_100012348363 [0,2,0,0,0,0|1,0,0]=3 10696 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)F 1458a_100000210414_100000766940 [0,2,0,0,0,0|1,0,0]=3 10697 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_100000210202 [0,2,0,0,0,0|1,0,0]=3 10698 B13R1.2874 CCC(=O)Cc1cc(cc(c1)C)C 1458a_100000210414_100000181317 [0,2,0,0,0,0|1,0,0]=3 10699 B13R1.2874 CCC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_100000210202 [0,2,0,0,0,0|1,0,0]=3 10700 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000210414_100011219208 [0,2,0,0,0,0|1,0,0]=3 10701 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_100000210202 [0,2,0,0,0,0|1,0,0]=3 10702 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000210414_100011219885 [0,2,0,0,0,0|1,0,0]=3 10703 B13R1.2874 CCC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_100000210202 [0,2,0,0,0,0|1,0,0]=3 10704 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)C 1458a_100000210414_100011219130 [0,2,0,0,0,0|1,0,0]=3 10705 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_100000210202 [0,2,0,0,0,0|1,0,0]=3 10706 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)F 1458a_100000210414_100000697002 [0,2,0,0,0,0|1,0,0]=3 10707 B13R1.2874 CCC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_100000210202 [0,2,0,0,0,0|1,0,0]=3 10708 B13R1.2874 CCC(=O)Cc1cc(cc(c1)I)Br 1458a_100000210414_100010146614 [0,2,0,0,0,0|1,0,0]=3 10709 B13R1.2874 CCC(=O)Cc1cc(cc(c1)I)F 1458a_100000210414_100010149605 [0,2,0,0,0,0|1,0,0]=3 10710 B13R1.2874 CCC(=O)Cc1cc(cc(n1)C)C 1458a_100000210414_100012357514 [0,2,0,0,0,0|2,0,0]=4 10711 B13R1.2874 CCC(=O)Cc1cc(nc(c1)C)C 1458a_100000210414_200000139866 [0,2,0,0,0,0|2,0,0]=4 10712 B13R1.2874 CCC(=O)Cc1cc(nc(c1)Cl)Cl 1458a_100000210414_100000052781 [0,2,0,0,0,0|2,0,0]=4 10713 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 11a_100012047176_100000210414 [0,2,0,0,0,0|2,0,0]=4 10714 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 1626a_100012047176_100000210414 [0,2,0,0,0,0|2,0,0]=4 10715 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000210414 [0,2,0,0,0,0|2,0,0]=4 10716 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Br 527a_100012047176_100000210414 [0,2,0,0,0,0|2,0,0]=4 10717 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10718 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10719 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10720 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10721 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Cl 11a_100011934539_100000210414 [0,2,0,0,0,0|2,0,0]=4 10722 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Cl 1626a_100011934539_100000210414 [0,2,0,0,0,0|2,0,0]=4 10723 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000210414 [0,2,0,0,0,0|2,0,0]=4 10724 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)F 11a_100000705686_100000210414 [0,2,0,0,0,0|2,0,0]=4 10725 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)F 1626a_100000705686_100000210414 [0,2,0,0,0,0|2,0,0]=4 10726 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100000210414 [0,2,0,0,0,0|2,0,0]=4 10727 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100000210414 [0,2,0,0,0,0|2,0,0]=4 10728 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100000210414 [0,2,0,0,0,0|2,0,0]=4 10729 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000210414 [0,2,0,0,0,0|2,0,0]=4 10730 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100000210414 [0,2,0,0,0,0|2,0,0]=4 10731 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100000210414 [0,2,0,0,0,0|2,0,0]=4 10732 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100000210414 [0,2,0,0,0,0|2,0,0]=4 10733 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000210414 [0,2,0,0,0,0|2,0,0]=4 10734 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100000210414 [0,2,0,0,0,0|2,0,0]=4 10735 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100000210414 [0,2,0,0,0,0|2,0,0]=4 10736 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000210414 [0,2,0,0,0,0|2,0,0]=4 10737 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F 11a_100000686136_100000210414 [0,2,0,0,0,0|2,0,0]=4 10738 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F 1626a_100000686136_100000210414 [0,2,0,0,0,0|2,0,0]=4 10739 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000210414 [0,2,0,0,0,0|2,0,0]=4 10740 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100000210414 [0,2,0,0,0,0|2,0,0]=4 10741 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000210414 [0,2,0,0,0,0|2,0,0]=4 10742 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100000210414 [0,2,0,0,0,0|2,0,0]=4 10743 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100000210414 [0,2,0,0,0,0|2,0,0]=4 10744 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000210414 [0,2,0,0,0,0|2,0,0]=4 10745 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100000210414 [0,2,0,0,0,0|2,0,0]=4 10746 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 11a_100000233717_100000210414 [0,2,0,0,0,0|2,0,0]=4 10747 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 1626a_100000233717_100000210414 [0,2,0,0,0,0|2,0,0]=4 10748 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100000210414 [0,2,0,0,0,0|2,0,0]=4 10749 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 11a_100009814763_100000210414 [0,2,0,0,0,0|2,0,0]=4 10750 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 1626a_100009814763_100000210414 [0,2,0,0,0,0|2,0,0]=4 10751 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100000210414 [0,2,0,0,0,0|2,0,0]=4 10752 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Br 527a_100009814763_100000210414 [0,2,0,0,0,0|2,0,0]=4 10753 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl 11a_100010147676_100000210414 [0,2,0,0,0,0|2,0,0]=4 10754 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl 1626a_100010147676_100000210414 [0,2,0,0,0,0|2,0,0]=4 10755 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000210414 [0,2,0,0,0,0|2,0,0]=4 10756 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 11a_100011356972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10757 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 1626a_100011356972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10758 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10759 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 11a_200000696836_100000210414 [0,2,0,0,0,0|2,0,0]=4 10760 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 1626a_200000696836_100000210414 [0,2,0,0,0,0|2,0,0]=4 10761 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100000210414 [0,2,0,0,0,0|2,0,0]=4 10762 B13R1.2874 CCC(=O)Nc1cc(cc(c1)I)I 527a_200000696836_100000210414 [0,2,0,0,0,0|2,0,0]=4 10763 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100000210414 [0,2,0,0,0,0|2,0,0]=4 10764 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000210414 [0,2,0,0,0,0|2,0,0]=4 10765 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100000210414 [0,2,0,0,0,0|2,0,0]=4 10766 B13R1.2874 CCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10767 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 11a_106832991635_100010186705 [0,2,0,0,0,0|1,0,0]=3 10768 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 240690a_100102657272_100010186705 [0,2,0,0,0,0|1,0,0]=3 10769 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 527a_100102657272_100010186705 [0,2,0,0,0,0|1,0,0]=3 10770 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 11a_106832991635_100011935118 [0,2,0,0,0,0|1,0,0]=3 10771 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 240690a_100102657272_100011935118 [0,2,0,0,0,0|1,0,0]=3 10772 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 527a_100102657272_100011935118 [0,2,0,0,0,0|1,0,0]=3 10773 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 11a_106832991635_100011202310 [0,2,0,0,0,0|1,0,0]=3 10774 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 240690a_100102657272_100011202310 [0,2,0,0,0,0|1,0,0]=3 10775 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 527a_100102657272_100011202310 [0,2,0,0,0,0|1,0,0]=3 10776 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 11a_106832991635_100012340057 [0,2,0,0,0,0|1,0,0]=3 10777 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 1626a_100102657272_100012340057 [0,2,0,0,0,0|1,0,0]=3 10778 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 240690a_100102657272_100012340057 [0,2,0,0,0,0|1,0,0]=3 10779 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 527a_100102657272_100012340057 [0,2,0,0,0,0|1,0,0]=3 10780 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 11a_106832991635_100011217690 [0,2,0,0,0,0|1,0,0]=3 10781 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 1626a_100102657272_100011217690 [0,2,0,0,0,0|1,0,0]=3 10782 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 240690a_100102657272_100011217690 [0,2,0,0,0,0|1,0,0]=3 10783 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 527a_100102657272_100011217690 [0,2,0,0,0,0|1,0,0]=3 10784 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 11a_106832991635_100011216671 [0,2,0,0,0,0|1,0,0]=3 10785 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 1626a_100102657272_100011216671 [0,2,0,0,0,0|1,0,0]=3 10786 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 240690a_100102657272_100011216671 [0,2,0,0,0,0|1,0,0]=3 10787 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 527a_100102657272_100011216671 [0,2,0,0,0,0|1,0,0]=3 10788 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 11a_106832991635_100011220011 [0,2,0,0,0,0|1,0,0]=3 10789 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 1626a_100102657272_100011220011 [0,2,0,0,0,0|1,0,0]=3 10790 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 240690a_100102657272_100011220011 [0,2,0,0,0,0|1,0,0]=3 10791 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 527a_100102657272_100011220011 [0,2,0,0,0,0|1,0,0]=3 10792 B13R1.2874 CNC(=O)Cc1cc(cc(c1)O)O 240690a_100102657272_100000080560 [0,2,0,0,0,0|1,0,0]=3 10793 B13R1.2874 CNC(=O)Cc1cc(cc(c1)O)O 527a_100102657272_100000080560 [0,2,0,0,0,0|1,0,0]=3 10794 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Br 2430a_100012047176_100102657272 [0,2,0,0,0,0|2,0,0]=4 10795 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Br 512a_100012047176_100102657272 [0,2,0,0,0,0|2,0,0]=4 10796 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)C 2430a_100000695972_100102657272 [0,2,0,0,0,0|2,0,0]=4 10797 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)C 512a_100000695972_100102657272 [0,2,0,0,0,0|2,0,0]=4 10798 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Cl 2430a_100011934539_100102657272 [0,2,0,0,0,0|2,0,0]=4 10799 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)Cl 512a_100011934539_100102657272 [0,2,0,0,0,0|2,0,0]=4 10800 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)F 2430a_100000705686_100102657272 [0,2,0,0,0,0|2,0,0]=4 10801 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Br)F 512a_100000705686_100102657272 [0,2,0,0,0,0|2,0,0]=4 10802 B13R1.2874 CNC(=O)Nc1cc(cc(c1)C)C 2430a_100000210930_100102657272 [0,2,0,0,0,0|2,0,0]=4 10803 B13R1.2874 CNC(=O)Nc1cc(cc(c1)C)C 512a_100000210930_100102657272 [0,2,0,0,0,0|2,0,0]=4 10804 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)C 2430a_100012022512_100102657272 [0,2,0,0,0,0|2,0,0]=4 10805 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)C 512a_100012022512_100102657272 [0,2,0,0,0,0|2,0,0]=4 10806 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)Cl 2430a_100000210456_100102657272 [0,2,0,0,0,0|2,0,0]=4 10807 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)Cl 512a_100000210456_100102657272 [0,2,0,0,0,0|2,0,0]=4 10808 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)F 2430a_100000686136_100102657272 [0,2,0,0,0,0|2,0,0]=4 10809 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)F 512a_100000686136_100102657272 [0,2,0,0,0,0|2,0,0]=4 10810 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)O 2430a_100000123917_100102657272 [0,2,0,0,0,0|2,0,0]=4 10811 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)O 512a_100000123917_100102657272 [0,2,0,0,0,0|2,0,0]=4 10812 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)C 2430a_100000742734_100102657272 [0,2,0,0,0,0|2,0,0]=4 10813 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)C 512a_100000742734_100102657272 [0,2,0,0,0,0|2,0,0]=4 10814 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)F 2430a_100000233717_100102657272 [0,2,0,0,0,0|2,0,0]=4 10815 B13R1.2874 CNC(=O)Nc1cc(cc(c1)F)F 512a_100000233717_100102657272 [0,2,0,0,0,0|2,0,0]=4 10816 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Br 2430a_100009814763_100102657272 [0,2,0,0,0,0|2,0,0]=4 10817 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Br 512a_100009814763_100102657272 [0,2,0,0,0,0|2,0,0]=4 10818 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Cl 2430a_100010147676_100102657272 [0,2,0,0,0,0|2,0,0]=4 10819 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)Cl 512a_100010147676_100102657272 [0,2,0,0,0,0|2,0,0]=4 10820 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)F 2430a_100011356972_100102657272 [0,2,0,0,0,0|2,0,0]=4 10821 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)F 512a_100011356972_100102657272 [0,2,0,0,0,0|2,0,0]=4 10822 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)I 2430a_200000696836_100102657272 [0,2,0,0,0,0|2,0,0]=4 10823 B13R1.2874 CNC(=O)Nc1cc(cc(c1)I)I 512a_200000696836_100102657272 [0,2,0,0,0,0|2,0,0]=4 10824 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)C 2430a_100011995906_100102657272 [0,2,0,0,0,0|2,0,0]=4 10825 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)C 512a_100011995906_100102657272 [0,2,0,0,0,0|2,0,0]=4 10826 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100102657272 [0,2,0,0,0,0|2,0,0]=4 10827 B13R1.2874 CNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100102657272 [0,2,0,0,0,0|2,0,0]=4 10828 B13R1.2874 COC(=O)Cc1cc(cc(c1)F)O 271570a_203496583355_100012569085 [0,2,0,0,0,0|0,0,0]=2 10829 B13R1.2874 Cc1cc(cc(c1)CC(=O)CF)C 1458a_100011202310_100015361967 [0,2,0,0,0,0|2,0,0]=4 10830 B13R1.2874 Cc1cc(cc(c1)CC(=O)CF)F 1458a_100011216671_100015361967 [0,2,0,0,0,0|2,0,0]=4 10831 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)Br 1458a_100000210174_100012348363 [0,2,0,0,0,0|2,0,0]=4 10832 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)C 1458a_100000210174_100000181317 [0,2,0,0,0,0|2,0,0]=4 10833 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)F 1458a_100000210174_100011219130 [0,2,0,0,0,0|2,0,0]=4 10834 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Br)Br 1458a_100010186705_100015361967 [0,2,0,0,0,0|2,0,0]=4 10835 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Br)F 1458a_100011935118_100015361967 [0,2,0,0,0,0|2,0,0]=4 10836 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_100015361967 [0,2,0,0,0,0|2,0,0]=4 10837 B13R1.2874 O=C(CF)Cc1cc(cc(c1)Cl)F 1458a_100011217690_100015361967 [0,2,0,0,0,0|2,0,0]=4 10838 B13R1.2874 O=C(CF)Cc1cc(cc(c1)F)F 1458a_100011220011_100015361967 [0,2,0,0,0,0|2,0,0]=4 10839 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Br)Br 1458a_100000210174_100011216082 [0,2,0,0,0,0|2,0,0]=4 10840 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Br)F 1458a_100000210174_100000766940 [0,2,0,0,0,0|2,0,0]=4 10841 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Cl)Cl 1458a_100000210174_100011219208 [0,2,0,0,0,0|2,0,0]=4 10842 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Cl)F 1458a_100000210174_100011219885 [0,2,0,0,0,0|2,0,0]=4 10843 B13R1.2874 O=C(CO)Cc1cc(cc(c1)F)F 1458a_100000210174_100000697002 [0,2,0,0,0,0|2,0,0]=4 10844 B13R1.2874 O=C(CO)Cc1cc(cc(c1)I)Br 1458a_100000210174_100010146614 [0,2,0,0,0,0|2,0,0]=4 10845 B13R1.2874 O=C(CO)Cc1cc(cc(c1)I)F 1458a_100000210174_100010149605 [0,2,0,0,0,0|2,0,0]=4 10846 B13R1.3080 CCC(C)(Cc1ccccc1)OC 7a_100011346069_200000210301 [0,2,0,0,0,0|1,0,1]=4 10847 B13R1.3080 CCC(C)(Cc1ccccc1)O[13CH3] 7a_100011346069_200025704644 [0,2,0,0,0,0|1,0,1]=4 10848 B13R1.275 CC(C)(Cc1ccccc1Cl)O[13CH3] 7a_100000751322_200025704644 [0,2,0,0,0,0|1,0,1]=4 10849 B13R1.275 CC(C)(Cc1ccccc1F)O[13CH3] 34a_100011350413_200025704644 [0,2,0,0,0,0|1,0,1]=4 10850 B13R1.275 CC(C)(Cc1ccccc1F)O[13CH3] 7a_100011350413_200025704644 [0,2,0,0,0,0|1,0,1]=4 10851 B13R1.275 CNS(=O)(=O)Cc1ccccc1Br 270084a_100102657272_100000765529 [0,2,0,0,0,0|2,0,0]=4 10852 B13R1.275 CNS(=O)(=O)Cc1ccccc1Br 274078a_100102657272_100000765529 [0,2,0,0,0,0|2,0,0]=4 10853 B13R1.275 CNS(=O)(=O)Cc1ccccc1C 270084a_100102657272_100000750338 [0,2,0,0,0,0|2,0,0]=4 10854 B13R1.275 CNS(=O)(=O)Cc1ccccc1C 274078a_100102657272_100000750338 [0,2,0,0,0,0|2,0,0]=4 10855 B13R1.275 CNS(=O)(=O)Cc1ccccc1Cl 270084a_100102657272_100000750118 [0,2,0,0,0,0|2,0,0]=4 10856 B13R1.275 CNS(=O)(=O)Cc1ccccc1Cl 274078a_100102657272_100000750118 [0,2,0,0,0,0|2,0,0]=4 10857 B13R1.275 CNS(=O)(=O)Cc1ccccc1F 270084a_100102657272_100000739656 [0,2,0,0,0,0|2,0,0]=4 10858 B13R1.275 CNS(=O)(=O)Cc1ccccc1F 274078a_100102657272_100000739656 [0,2,0,0,0,0|2,0,0]=4 10859 B13R1.275 COC(C)(C)Cc1ccccc1Cl 7a_100000751322_200000210301 [0,2,0,0,0,0|1,0,1]=4 10860 B13R1.275 COC(C)(C)Cc1ccccc1F 34a_100011350413_200000210301 [0,2,0,0,0,0|1,0,1]=4 10861 B13R1.275 COC(C)(C)Cc1ccccc1F 7a_100011350413_200000210301 [0,2,0,0,0,0|1,0,1]=4 10862 B13R1.91 C#CC(=O)Cc1ccccc1C#N 1458a_100000211873_100000181865 [0,2,0,0,0,0|1,0,1]=4 10863 B13R1.91 C#CC(=O)Cc1ccccc1C=O 1458a_100000211873_200009853537 [0,2,0,0,0,0|1,0,1]=4 10864 B13R1.91 C#CC(=O)Cc1ccccc1CO 1458a_100000211873_100009816955 [0,2,0,0,0,0|1,0,1]=4 10865 B13R1.91 C#CC(=O)Cc1ccccc1OC 1458a_100000211873_100000210004 [0,2,0,0,0,0|1,0,1]=4 10866 B13R1.91 C#CC(=O)Cc1ccccc1SC 1458a_100000211873_100000699184 [0,2,0,0,0,0|1,0,1]=4 10867 B13R1.91 C#Cc1ccccc1NC(=O)CC 11a_100011470550_100000210414 [0,2,0,0,0,0|2,0,0]=4 10868 B13R1.91 C#Cc1ccccc1NC(=O)CC 1626a_100011470550_100000210414 [0,2,0,0,0,0|2,0,0]=4 10869 B13R1.91 C#Cc1ccccc1NC(=O)CC 22a_100011470550_100000210414 [0,2,0,0,0,0|2,0,0]=4 10870 B13R1.91 C#Cc1ccccc1NC(=O)NC 2430a_100011470550_100102657272 [0,2,0,0,0,0|2,0,0]=4 10871 B13R1.91 C=CC(=O)Cc1ccccc1C#N 1458a_100000185746_100000181865 [0,2,0,0,0,0|1,0,1]=4 10872 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [0,2,0,0,0,0|1,0,1]=4 10873 B13R1.91 C=CC(=O)Cc1ccccc1CO 1458a_100000185746_100009816955 [0,2,0,0,0,0|1,0,1]=4 10874 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,2,0,0,0,0|1,0,1]=4 10875 B13R1.91 C=CC(=O)Cc1ccccc1SC 1458a_100000185746_100000699184 [0,2,0,0,0,0|1,0,1]=4 10876 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [0,2,0,0,0,0|1,0,0]=3 10877 B13R1.91 C=Cc1ccccc1CC(=O)NN 271570a_100011290941_200010210069 [0,2,0,0,0,0|2,0,0]=4 10878 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [0,2,0,0,0,0|0,0,0]=2 10879 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [0,2,0,0,0,0|2,0,0]=4 10880 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [0,2,0,0,0,0|2,0,0]=4 10881 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [0,2,0,0,0,0|2,0,0]=4 10882 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [0,2,0,0,0,0|2,0,0]=4 10883 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,2,0,0,0,0|2,0,0]=4 10884 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [0,2,0,0,0,0|1,0,0]=3 10885 B13R1.91 C=Cc1cccnc1CC(=O)OC 271570a_100011290941_100012347948 [0,2,0,0,0,0|1,0,0]=3 10886 B13R1.91 C=Cc1ncccc1CC(=O)OC 271570a_100011290941_100010293180 [0,2,0,0,0,0|1,0,0]=3 10887 B13R1.91 CCC(=O)Cc1ccccc1C#N 1458a_100000210414_100000181865 [0,2,0,0,0,0|1,0,0]=3 10888 B13R1.91 CCC(=O)Cc1ccccc1C#N 1458a_100000238613_100000210202 [0,2,0,0,0,0|1,0,0]=3 10889 B13R1.91 CCC(=O)Cc1ccccc1C=O 1458a_100000210414_200009853537 [0,2,0,0,0,0|1,0,0]=3 10890 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [0,2,0,0,0,0|1,0,0]=3 10891 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,2,0,0,0,0|1,0,0]=3 10892 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,2,0,0,0,0|1,0,0]=3 10893 B13R1.91 CCC(=O)Cc1ccccc1SC 1458a_100000210414_100000699184 [0,2,0,0,0,0|1,0,0]=3 10894 B13R1.91 CCC(=O)Cc1cccnc1C#N 1458a_100000210414_100011768898 [0,2,0,0,0,0|2,0,0]=4 10895 B13R1.91 CCC(=O)Cc1cccnc1OC 1458a_100000210414_100020631285 [0,2,0,0,0,0|2,0,0]=4 10896 B13R1.91 CCC(=O)Cc1ccncc1OC 1458a_100000210414_100020635607 [0,2,0,0,0,0|2,0,0]=4 10897 B13R1.91 CCC(=O)Cc1ncccc1C#N 1458a_100000210414_100000099805 [0,2,0,0,0,0|2,0,0]=4 10898 B13R1.91 CCC(=O)Nc1ccccc1C#N 11a_100000211148_100000210414 [0,2,0,0,0,0|2,0,0]=4 10899 B13R1.91 CCC(=O)Nc1ccccc1C#N 1626a_100000211148_100000210414 [0,2,0,0,0,0|2,0,0]=4 10900 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [0,2,0,0,0,0|2,0,0]=4 10901 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [0,2,0,0,0,0|2,0,0]=4 10902 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [0,2,0,0,0,0|2,0,0]=4 10903 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [0,2,0,0,0,0|2,0,0]=4 10904 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,2,0,0,0,0|2,0,0]=4 10905 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,2,0,0,0,0|2,0,0]=4 10906 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,2,0,0,0,0|2,0,0]=4 10907 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,2,0,0,0,0|2,0,0]=4 10908 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,2,0,0,0,0|2,0,0]=4 10909 B13R1.91 CCC(=O)Nc1ccccc1SC 11a_100000211160_100000210414 [0,2,0,0,0,0|2,0,0]=4 10910 B13R1.91 CCC(=O)Nc1ccccc1SC 22a_100000211160_100000210414 [0,2,0,0,0,0|2,0,0]=4 10911 B13R1.91 CCC(=O)Nc1ccccc1SC 62a_200000210301_100000153536 [0,2,0,0,0,0|2,0,0]=4 10912 B13R1.91 CCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153536 [0,2,0,0,0,0|2,0,0]=4 10913 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,2,0,0,0,0|2,0,0]=4 10914 B13R1.91 CNC(=O)Cc1ccccc1C#N 11a_106832991635_100000238613 [0,2,0,0,0,0|1,0,0]=3 10915 B13R1.91 CNC(=O)Cc1ccccc1C#N 527a_100102657272_100000238613 [0,2,0,0,0,0|1,0,0]=3 10916 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,2,0,0,0,0|1,0,0]=3 10917 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,2,0,0,0,0|1,0,0]=3 10918 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,2,0,0,0,0|1,0,0]=3 10919 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,2,0,0,0,0|1,0,0]=3 10920 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,2,0,0,0,0|1,0,0]=3 10921 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,2,0,0,0,0|1,0,0]=3 10922 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,2,0,0,0,0|1,0,0]=3 10923 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,2,0,0,0,0|1,0,0]=3 10924 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,2,0,0,0,0|1,0,0]=3 10925 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,2,0,0,0,0|1,0,0]=3 10926 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,2,0,0,0,0|1,0,0]=3 10927 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,2,0,0,0,0|1,0,0]=3 10928 B13R1.91 CNC(=O)Nc1ccccc1C#N 2430a_100000211148_100102657272 [0,2,0,0,0,0|2,0,0]=4 10929 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,2,0,0,0,0|2,0,0]=4 10930 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,2,0,0,0,0|2,0,0]=4 10931 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,2,0,0,0,0|2,0,0]=4 10932 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [0,2,0,0,0,0|0,0,0]=2 10933 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [0,2,0,0,0,0|0,0,0]=2 10934 B13R1.91 COC(=O)Cc1ccccc1SC 62a_100000699816_200000210301 [0,2,0,0,0,0|0,0,0]=2 10935 B13R1.91 COC(=O)Cc1ccccc1SC 62a_200000210301_100000699816 [0,2,0,0,0,0|0,0,0]=2 10936 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_100000699816_200025704644 [0,2,0,0,0,0|0,0,0]=2 10937 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100000699816 [0,2,0,0,0,0|0,0,0]=2 10938 B13R1.91 COC(=O)Cc1cccnc1SC 62a_100010293180_200000210301 [0,2,0,0,0,0|1,0,0]=3 10939 B13R1.91 COC(=O)Cc1cccnc1SC 62a_200000210301_100010293180 [0,2,0,0,0,0|1,0,0]=3 10940 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_100010293180_200025704644 [0,2,0,0,0,0|1,0,0]=3 10941 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_200025704644_100010293180 [0,2,0,0,0,0|1,0,0]=3 10942 B13R1.91 COC(=O)Cc1ncccc1SC 62a_100012347948_200000210301 [0,2,0,0,0,0|1,0,0]=3 10943 B13R1.91 COC(=O)Cc1ncccc1SC 62a_200000210301_100012347948 [0,2,0,0,0,0|1,0,0]=3 10944 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_100012347948_200025704644 [0,2,0,0,0,0|1,0,0]=3 10945 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_200025704644_100012347948 [0,2,0,0,0,0|1,0,0]=3 10946 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [0,2,0,0,0,0|1,0,0]=3 10947 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [0,2,0,0,0,0|1,0,0]=3 10948 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,2,0,0,0,0|2,0,0]=4 10949 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,2,0,0,0,0|2,0,0]=4 10950 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,2,0,0,0,0|2,0,0]=4 10951 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,2,0,0,0,0|1,0,1]=4 10952 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,2,0,0,0,0|1,0,1]=4 10953 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,2,0,0,0,0|2,0,0]=4 10954 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200000210301_200010210069 [0,2,0,0,0,0|2,0,0]=4 10955 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200010210069_200000210301 [0,2,0,0,0,0|2,0,0]=4 10956 B13R1.91 N#Cc1ccccc1CC(=O)CF 1458a_100000238613_100015361967 [0,2,0,0,0,0|2,0,0]=4 10957 B13R1.91 N#Cc1ccccc1CC(=O)CO 1458a_100000210174_100000181865 [0,2,0,0,0,0|2,0,0]=4 10958 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [0,2,0,0,0,0|2,0,0]=4 10959 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,2,0,0,0,0|2,0,0]=4 10960 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,2,0,0,0,0|2,0,0]=4 10961 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200010210069_200025704644 [0,2,0,0,0,0|2,0,0]=4 10962 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200025704644_200010210069 [0,2,0,0,0,0|2,0,0]=4 10963 B13R1.4928 C#CC(=O)Cc1c(cccc1Br)C 1458a_100000211873_100010146847 [0,2,0,0,0,0|1,0,1]=4 10964 B13R1.4928 C#CC(=O)Cc1c(cccc1Br)Cl 1458a_100000211873_100010138402 [0,2,0,0,0,0|1,0,1]=4 10965 B13R1.4928 C#CC(=O)Cc1c(cccc1Br)F 1458a_100000211873_100000696636 [0,2,0,0,0,0|1,0,1]=4 10966 B13R1.4928 C#CC(=O)Cc1c(cccc1C)C 1458a_100000211873_100000758300 [0,2,0,0,0,0|1,0,1]=4 10967 B13R1.4928 C#CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211873_100000187851 [0,2,0,0,0,0|1,0,1]=4 10968 B13R1.4928 C#CC(=O)Cc1c(cccc1Cl)F 1458a_100000211873_100000187852 [0,2,0,0,0,0|1,0,1]=4 10969 B13R1.4928 C#CC(=O)Cc1c(cccc1F)C 1458a_100000211873_100009814554 [0,2,0,0,0,0|1,0,1]=4 10970 B13R1.4928 C#CC(=O)Cc1c(cccc1F)F 1458a_100000211873_100000698325 [0,2,0,0,0,0|1,0,1]=4 10971 B13R1.4928 C#CC(=O)Cc1c(cccc1I)Br 1458a_100000211873_100010146611 [0,2,0,0,0,0|1,0,1]=4 10972 B13R1.4928 C#CC(=O)Cc1c(cccc1I)C 1458a_100000211873_100010150146 [0,2,0,0,0,0|1,0,1]=4 10973 B13R1.4928 C#CC(=O)Cc1c(cccc1I)F 1458a_100000211873_100010149602 [0,2,0,0,0,0|1,0,1]=4 10974 B13R1.4928 C=CC(=O)Cc1c(cccc1Br)C 1458a_100000185746_100010146847 [0,2,0,0,0,0|1,0,1]=4 10975 B13R1.4928 C=CC(=O)Cc1c(cccc1Br)Cl 1458a_100000185746_100010138402 [0,2,0,0,0,0|1,0,1]=4 10976 B13R1.4928 C=CC(=O)Cc1c(cccc1Br)F 1458a_100000185746_100000696636 [0,2,0,0,0,0|1,0,1]=4 10977 B13R1.4928 C=CC(=O)Cc1c(cccc1C)C 1458a_100000185746_100000758300 [0,2,0,0,0,0|1,0,1]=4 10978 B13R1.4928 C=CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000185746_100000187851 [0,2,0,0,0,0|1,0,1]=4 10979 B13R1.4928 C=CC(=O)Cc1c(cccc1Cl)F 1458a_100000185746_100000187852 [0,2,0,0,0,0|1,0,1]=4 10980 B13R1.4928 C=CC(=O)Cc1c(cccc1F)C 1458a_100000185746_100009814554 [0,2,0,0,0,0|1,0,1]=4 10981 B13R1.4928 C=CC(=O)Cc1c(cccc1F)F 1458a_100000185746_100000698325 [0,2,0,0,0,0|1,0,1]=4 10982 B13R1.4928 C=CC(=O)Cc1c(cccc1I)Br 1458a_100000185746_100010146611 [0,2,0,0,0,0|1,0,1]=4 10983 B13R1.4928 C=CC(=O)Cc1c(cccc1I)C 1458a_100000185746_100010150146 [0,2,0,0,0,0|1,0,1]=4 10984 B13R1.4928 C=CC(=O)Cc1c(cccc1I)F 1458a_100000185746_100010149602 [0,2,0,0,0,0|1,0,1]=4 10985 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_100000210202 [0,2,0,0,0,0|1,0,0]=3 10986 B13R1.4928 CCC(=O)Cc1c(cccc1Br)C 1458a_100000210414_100010146847 [0,2,0,0,0,0|1,0,0]=3 10987 B13R1.4928 CCC(=O)Cc1c(cccc1Br)C 1458a_100010147022_100000210202 [0,2,0,0,0,0|1,0,0]=3 10988 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Cl 1458a_100000210414_100010138402 [0,2,0,0,0,0|1,0,0]=3 10989 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_100000210202 [0,2,0,0,0,0|1,0,0]=3 10990 B13R1.4928 CCC(=O)Cc1c(cccc1Br)F 1458a_100000210414_100000696636 [0,2,0,0,0,0|1,0,0]=3 10991 B13R1.4928 CCC(=O)Cc1c(cccc1Br)F 1458a_100010172741_100000210202 [0,2,0,0,0,0|1,0,0]=3 10992 B13R1.4928 CCC(=O)Cc1c(cccc1C)C 1458a_100000210414_100000758300 [0,2,0,0,0,0|1,0,0]=3 10993 B13R1.4928 CCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000210202 [0,2,0,0,0,0|1,0,0]=3 10994 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000210414_100000187851 [0,2,0,0,0,0|1,0,0]=3 10995 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_100000210202 [0,2,0,0,0,0|1,0,0]=3 10996 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_100000210202 [0,2,0,0,0,0|1,0,0]=3 10997 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)F 1458a_100000210414_100000187852 [0,2,0,0,0,0|1,0,0]=3 10998 B13R1.4928 CCC(=O)Cc1c(cccc1F)C 1458a_100000210414_100009814554 [0,2,0,0,0,0|1,0,0]=3 10999 B13R1.4928 CCC(=O)Cc1c(cccc1F)F 1458a_100000210414_100000698325 [0,2,0,0,0,0|1,0,0]=3 11000 B13R1.4928 CCC(=O)Cc1c(cccc1F)F 1458a_100000684726_100000210202 [0,2,0,0,0,0|1,0,0]=3 11001 B13R1.4928 CCC(=O)Cc1c(cccc1I)Br 1458a_100000210414_100010146611 [0,2,0,0,0,0|1,0,0]=3 11002 B13R1.4928 CCC(=O)Cc1c(cccc1I)C 1458a_100000210414_100010150146 [0,2,0,0,0,0|1,0,0]=3 11003 B13R1.4928 CCC(=O)Cc1c(cccc1I)F 1458a_100000210414_100010149602 [0,2,0,0,0,0|1,0,0]=3 11004 B13R1.4928 CCC(=O)Cc1c(cncc1Cl)Cl 1458a_100000210414_200009872113 [0,2,0,0,0,0|2,0,0]=4 11005 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100000210414 [0,2,0,0,0,0|2,0,0]=4 11006 B13R1.4928 CCC(=O)Nc1c(cccc1Br)C 11a_100011834072_100000210414 [0,2,0,0,0,0|2,0,0]=4 11007 B13R1.4928 CCC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100000210414 [0,2,0,0,0,0|2,0,0]=4 11008 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100000210414 [0,2,0,0,0,0|2,0,0]=4 11009 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100000210414 [0,2,0,0,0,0|2,0,0]=4 11010 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 11a_100000684712_100000210414 [0,2,0,0,0,0|2,0,0]=4 11011 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100000210414 [0,2,0,0,0,0|2,0,0]=4 11012 B13R1.4928 CCC(=O)Nc1c(cccc1Br)O 527a_100011934926_100000210414 [0,2,0,0,0,0|2,0,0]=4 11013 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000210414 [0,2,0,0,0,0|2,0,0]=4 11014 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000210414 [0,2,0,0,0,0|2,0,0]=4 11015 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000210414 [0,2,0,0,0,0|2,0,0]=4 11016 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100000210414 [0,2,0,0,0,0|2,0,0]=4 11017 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000210414 [0,2,0,0,0,0|2,0,0]=4 11018 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210414 [0,2,0,0,0,0|2,0,0]=4 11019 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210414 [0,2,0,0,0,0|2,0,0]=4 11020 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100000210414 [0,2,0,0,0,0|2,0,0]=4 11021 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000210414 [0,2,0,0,0,0|2,0,0]=4 11022 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000210414 [0,2,0,0,0,0|2,0,0]=4 11023 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100000210414 [0,2,0,0,0,0|2,0,0]=4 11024 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 11a_100000766463_100000210414 [0,2,0,0,0,0|2,0,0]=4 11025 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000210414 [0,2,0,0,0,0|2,0,0]=4 11026 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 22a_100000766463_100000210414 [0,2,0,0,0,0|2,0,0]=4 11027 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 11a_100000210704_100000210414 [0,2,0,0,0,0|2,0,0]=4 11028 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 1626a_100000210704_100000210414 [0,2,0,0,0,0|2,0,0]=4 11029 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 22a_100020591140_100000210414 [0,2,0,0,0,0|2,0,0]=4 11030 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 527a_100020591140_100000210414 [0,2,0,0,0,0|2,0,0]=4 11031 B13R1.4928 CCC(=O)Nc1c(cccc1I)Br 11a_100010146558_100000210414 [0,2,0,0,0,0|2,0,0]=4 11032 B13R1.4928 CCC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100000210414 [0,2,0,0,0,0|2,0,0]=4 11033 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100000210414 [0,2,0,0,0,0|2,0,0]=4 11034 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100000210414 [0,2,0,0,0,0|2,0,0]=4 11035 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 11a_100000042321_100000210414 [0,2,0,0,0,0|2,0,0]=4 11036 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 1626a_100000042321_100000210414 [0,2,0,0,0,0|2,0,0]=4 11037 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 22a_200000049512_100000210414 [0,2,0,0,0,0|2,0,0]=4 11038 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 527a_200000049512_100000210414 [0,2,0,0,0,0|2,0,0]=4 11039 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 22a_100000743429_100000210414 [0,2,0,0,0,0|2,0,0]=4 11040 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 527a_100000743429_100000210414 [0,2,0,0,0,0|2,0,0]=4 11041 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 22a_100011995820_100000210414 [0,2,0,0,0,0|2,0,0]=4 11042 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 527a_100011995820_100000210414 [0,2,0,0,0,0|2,0,0]=4 11043 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 11a_106832991635_100010209379 [0,2,0,0,0,0|1,0,0]=3 11044 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 240690a_100102657272_100010209379 [0,2,0,0,0,0|1,0,0]=3 11045 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 527a_100102657272_100010209379 [0,2,0,0,0,0|1,0,0]=3 11046 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [0,2,0,0,0,0|1,0,0]=3 11047 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [0,2,0,0,0,0|1,0,0]=3 11048 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [0,2,0,0,0,0|1,0,0]=3 11049 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [0,2,0,0,0,0|1,0,0]=3 11050 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 11a_106832991635_100013084675 [0,2,0,0,0,0|1,0,0]=3 11051 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 1626a_100102657272_100013084675 [0,2,0,0,0,0|1,0,0]=3 11052 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 240690a_100102657272_100013084675 [0,2,0,0,0,0|1,0,0]=3 11053 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 527a_100102657272_100013084675 [0,2,0,0,0,0|1,0,0]=3 11054 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 11a_106832991635_100010172741 [0,2,0,0,0,0|1,0,0]=3 11055 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 1626a_100102657272_100010172741 [0,2,0,0,0,0|1,0,0]=3 11056 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 240690a_100102657272_100010172741 [0,2,0,0,0,0|1,0,0]=3 11057 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 527a_100102657272_100010172741 [0,2,0,0,0,0|1,0,0]=3 11058 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [0,2,0,0,0,0|1,0,0]=3 11059 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [0,2,0,0,0,0|1,0,0]=3 11060 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [0,2,0,0,0,0|1,0,0]=3 11061 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [0,2,0,0,0,0|1,0,0]=3 11062 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 11a_106832991635_100000211232 [0,2,0,0,0,0|1,0,0]=3 11063 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 1626a_100102657272_100000211232 [0,2,0,0,0,0|1,0,0]=3 11064 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 240690a_100102657272_100000211232 [0,2,0,0,0,0|1,0,0]=3 11065 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 527a_100102657272_100000211232 [0,2,0,0,0,0|1,0,0]=3 11066 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 11a_106832991635_100000185183 [0,2,0,0,0,0|1,0,0]=3 11067 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 1626a_100102657272_100000185183 [0,2,0,0,0,0|1,0,0]=3 11068 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 240690a_100102657272_100000185183 [0,2,0,0,0,0|1,0,0]=3 11069 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 527a_100102657272_100000185183 [0,2,0,0,0,0|1,0,0]=3 11070 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 11a_106832991635_100000684726 [0,2,0,0,0,0|1,0,0]=3 11071 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 1626a_100102657272_100000684726 [0,2,0,0,0,0|1,0,0]=3 11072 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 240690a_100102657272_100000684726 [0,2,0,0,0,0|1,0,0]=3 11073 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 527a_100102657272_100000684726 [0,2,0,0,0,0|1,0,0]=3 11074 B13R1.4928 CNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100102657272 [0,2,0,0,0,0|2,0,0]=4 11075 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [0,2,0,0,0,0|2,0,0]=4 11076 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100102657272 [0,2,0,0,0,0|2,0,0]=4 11077 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 512a_106832991638_100000185769 [0,2,0,0,0,0|2,0,0]=4 11078 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [0,2,0,0,0,0|2,0,0]=4 11079 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [0,2,0,0,0,0|2,0,0]=4 11080 B13R1.4928 CNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100102657272 [0,2,0,0,0,0|2,0,0]=4 11081 B13R1.4928 CNC(=O)Nc1c(cccc1F)F 2430a_100000210704_100102657272 [0,2,0,0,0,0|2,0,0]=4 11082 B13R1.4928 CNC(=O)Nc1c(cccc1F)O 2430a_100020591140_100102657272 [0,2,0,0,0,0|2,0,0]=4 11083 B13R1.4928 CNC(=O)Nc1c(cccc1I)Br 512a_100010146558_100102657272 [0,2,0,0,0,0|2,0,0]=4 11084 B13R1.4928 CNC(=O)Nc1c(cccc1I)F 2430a_100000042321_100102657272 [0,2,0,0,0,0|2,0,0]=4 11085 B13R1.4928 CNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100102657272 [0,2,0,0,0,0|2,0,0]=4 11086 B13R1.4928 COC(=O)Cc1c(cccc1F)O 271570a_203496583355_100010741561 [0,2,0,0,0,0|0,0,0]=2 11087 B13R1.4928 Cc1cccc(c1CC(=O)CF)Br 1458a_100010147022_100015361967 [0,2,0,0,0,0|2,0,0]=4 11088 B13R1.4928 Cc1cccc(c1CC(=O)CF)C 1458a_100000689862_100015361967 [0,2,0,0,0,0|2,0,0]=4 11089 B13R1.4928 Cc1cccc(c1CC(=O)CO)Br 1458a_100000210174_100010146847 [0,2,0,0,0,0|2,0,0]=4 11090 B13R1.4928 Cc1cccc(c1CC(=O)CO)C 1458a_100000210174_100000758300 [0,2,0,0,0,0|2,0,0]=4 11091 B13R1.4928 Cc1cccc(c1CC(=O)CO)F 1458a_100000210174_100009814554 [0,2,0,0,0,0|2,0,0]=4 11092 B13R1.4928 Cc1cccc(c1CC(=O)CO)I 1458a_100000210174_100010150146 [0,2,0,0,0,0|2,0,0]=4 11093 B13R1.4928 O=C(CF)Cc1c(cccc1Br)Br 1458a_100010209379_100015361967 [0,2,0,0,0,0|2,0,0]=4 11094 B13R1.4928 O=C(CF)Cc1c(cccc1Br)Cl 1458a_100013084675_100015361967 [0,2,0,0,0,0|2,0,0]=4 11095 B13R1.4928 O=C(CF)Cc1c(cccc1Br)F 1458a_100010172741_100015361967 [0,2,0,0,0,0|2,0,0]=4 11096 B13R1.4928 O=C(CF)Cc1c(cccc1Cl)Cl 1458a_100000211232_100015361967 [0,2,0,0,0,0|2,0,0]=4 11097 B13R1.4928 O=C(CF)Cc1c(cccc1Cl)F 1458a_100000185183_100015361967 [0,2,0,0,0,0|2,0,0]=4 11098 B13R1.4928 O=C(CF)Cc1c(cccc1F)F 1458a_100000684726_100015361967 [0,2,0,0,0,0|2,0,0]=4 11099 B13R1.4928 O=C(CO)Cc1c(cccc1Br)Cl 1458a_100000210174_100010138402 [0,2,0,0,0,0|2,0,0]=4 11100 B13R1.4928 O=C(CO)Cc1c(cccc1Br)F 1458a_100000210174_100000696636 [0,2,0,0,0,0|2,0,0]=4 11101 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)Cl 1458a_100000210174_100000187851 [0,2,0,0,0,0|2,0,0]=4 11102 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)F 1458a_100000210174_100000187852 [0,2,0,0,0,0|2,0,0]=4 11103 B13R1.4928 O=C(CO)Cc1c(cccc1F)F 1458a_100000210174_100000698325 [0,2,0,0,0,0|2,0,0]=4 11104 B13R1.4928 O=C(CO)Cc1c(cccc1I)Br 1458a_100000210174_100010146611 [0,2,0,0,0,0|2,0,0]=4 11105 B13R1.4928 O=C(CO)Cc1c(cccc1I)F 1458a_100000210174_100010149602 [0,2,0,0,0,0|2,0,0]=4 11106 B11R1.286 C=CC=CC(=O)C1CCC1=O 1458a_100016291481_100009892977 [0,0,1,1,0,0|2,0,0]=4 11107 B11R1.59 C=Cc1cc[nH]c1C(=O)OC 271570a_100011290941_100102525103 [0,0,1,1,0,0|1,0,1]=4 11108 B11R1.59 C=Cc1ccoc1C(=O)OC 271570a_100011290941_100012676306 [0,0,1,1,0,0|1,0,1]=4 11109 B11R1.59 C=Cc1ccsc1C(=O)OC 271570a_100011290941_100000730364 [0,0,1,1,0,0|1,0,1]=4 11110 B11R1.59 C=Cc1cscc1C(=O)OC 271570a_100011290941_100012351140 [0,0,1,1,0,0|1,0,1]=4 11111 B11R1.59 C=Cc1occc1C(=O)OC 271570a_100011290941_100011935261 [0,0,1,1,0,0|1,0,1]=4 11112 B11R1.59 C=Cc1sccc1C(=O)OC 271570a_100011290941_100009822520 [0,0,1,1,0,0|1,0,1]=4 11113 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [0,0,1,1,0,0|2,0,0]=4 11114 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [0,0,1,1,0,0|2,0,0]=4 11115 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,0,1,1,0,0|2,0,0]=4 11116 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,0,1,1,0,0|2,0,0]=4 11117 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,0,1,1,0,0|2,0,0]=4 11118 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,0,1,1,0,0|2,0,0]=4 11119 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,0,1,1,0,0|2,0,0]=4 11120 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,0,1,1,0,0|2,0,0]=4 11121 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,0,1,1,0,0|2,0,0]=4 11122 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,0,1,1,0,0|2,0,0]=4 11123 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|1,0,1]=4 11124 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|0,1,1]=4 11125 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|0,1,1]=4 11126 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|0,1,1]=4 11127 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|0,1,1]=4 11128 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 11129 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 11130 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 11131 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|1,0,1]=4 11132 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|0,0,2]=4 11133 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,1,0,0|0,1,1]=4 11134 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,1,0,0|2,0,0]=4 11135 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,1,0,0|1,1,0]=4 11136 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 11137 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 11138 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 11139 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,1|1,0,1]=4 11140 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,1|1,0,0]=3 11141 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,1|1,0,0]=3 11142 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,1|1,0,0]=3 11143 B13R2.27 O=C1CCC1Oc2cccnc2 34a_100000210849_100009892977 [0,0,0,1,0,1|2,0,0]=4 11144 B13R2.27 O=C1CCC1Oc2cccnc2 7a_100000210849_100009892977 [0,0,0,1,0,1|2,0,0]=4 11145 B13R2.27 O=C1CCC1Oc2ccncc2 34a_100000212176_100009892977 [0,0,0,1,0,1|2,0,0]=4 11146 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,1|1,0,0]=3 11147 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,1|1,0,0]=3 11148 B13R2.27 O=C1CCC1Sc2ccccn2 62a_100009892977_100011216584 [0,0,0,1,0,1|2,0,0]=4 11149 B13R2.27 O=C1CCC1Sc2ccccn2 62a_100011216584_100009892977 [0,0,0,1,0,1|2,0,0]=4 11150 B13R2.27 O=C1CCC1Sc2cccnc2 62a_100000210063_100009892977 [0,0,0,1,0,1|2,0,0]=4 11151 B13R2.27 O=C1CCC1Sc2cccnc2 62a_100009892977_100000210063 [0,0,0,1,0,1|2,0,0]=4 11152 B13R2.27 O=C1CCC1Sc2ccncc2 62a_100000728582_100009892977 [0,0,0,1,0,1|2,0,0]=4 11153 B13R2.27 O=C1CCC1Sc2ccncc2 62a_100009892977_100000728582 [0,0,0,1,0,1|2,0,0]=4 11154 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,0,0,1,0,1|1,0,1]=4 11155 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,0,0,1,0,1|1,0,1]=4 11156 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,0,0,1,0,1|1,0,1]=4 11157 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,0,0,1,0,1|1,0,1]=4 11158 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,0,0,1,0,1|1,0,1]=4 11159 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,0,0,1,0,1|1,0,1]=4 11160 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,0,0,1,0,1|1,0,1]=4 11161 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,0,0,1,0,1|1,0,1]=4 11162 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,0,0,1,0,1|1,0,1]=4 11163 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,0,0,1,0,1|1,0,1]=4 11164 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,0,0,1,0,1|1,0,1]=4 11165 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,0,0,1,0,1|1,0,1]=4 11166 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,0,0,1,0,1|1,0,1]=4 11167 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,0,0,1,0,1|1,0,1]=4 11168 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,0,0,1,0,1|1,0,1]=4 11169 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,0,0,1,0,1|1,0,1]=4 11170 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,0,0,1,0,1|1,0,1]=4 11171 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,0,0,1,0,1|1,0,1]=4 11172 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,0,0,1,0,1|1,0,1]=4 11173 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,0,0,1,0,1|1,0,1]=4 11174 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,0,0,1,0,1|1,0,1]=4 11175 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,0,0,1,0,1|1,0,1]=4 11176 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,0,0,1,0,1|1,0,1]=4 11177 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,0,0,1,0,1|1,0,1]=4 11178 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,0,0,1,0,1|1,0,1]=4 11179 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,0,0,1,0,1|1,0,1]=4 11180 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,0,0,1,0,1|1,0,1]=4 11181 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,0,0,1,0,1|1,0,0]=3 11182 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,0,1,0,1|1,0,0]=3 11183 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,0,1,0,1|1,0,0]=3 11184 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,0,1,0,1|1,0,0]=3 11185 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,0,1,0,1|1,0,0]=3 11186 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,0,0,1,0,1|2,0,0]=4 11187 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,1,0,1,0,0|1,0,1]=4 11188 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,1,0,1,0,0|1,0,1]=4 11189 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,1,0,1,0,0|0,0,2]=4 11190 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,1,0,1,0,0|0,0,2]=4 11191 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,1,0,1,0,0|1,0,1]=4 11192 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,1,0,1,0,0|1,0,1]=4 11193 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,1,0,1,0,0|0,0,2]=4 11194 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,1,0,1,0,0|0,0,2]=4 11195 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,1,0,1,0,0|1,0,1]=4 11196 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,1,0,1,0,0|1,0,1]=4 11197 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,1,0,1,0,0|1,0,1]=4 11198 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,1,0,1,0,0|0,0,2]=4 11199 B13R2.26 COCN1Cc2ccccc2C1 2230a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 11200 B13R2.26 COCN1Cc2ccccc2C1 269982a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 11201 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,1,0,1,0,0|1,0,1]=4 11202 B13R2.26 COCc1cc2ccccc2o1 34a_100000233474_200000210301 [0,1,0,1,0,0|0,0,2]=4 11203 B13R2.26 COCc1cc2ccccc2o1 7a_100000233474_200000210301 [0,1,0,1,0,0|0,0,2]=4 11204 B13R2.26 COCc1nc2ccccc2o1 34a_100138415774_200012361514 [0,1,0,1,0,0|1,0,1]=4 11205 B13R2.26 COCc1nc2ccccc2s1 34a_100138415774_100011217541 [0,1,0,1,0,0|1,1,0]=4 11206 B13R2.26 FCOC1Cc2ccccc2C1 34a_100011215286_100015361967 [0,1,0,1,0,0|1,0,1]=4 11207 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,1,0,1,0,0|1,0,1]=4 11208 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,1,0,1,0,0|0,0,2]=4 11209 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,1,0,1,0,0|1,0,1]=4 11210 B13R2.26 [13CH3]OCc1cc2ccccc2o1 34a_100000233474_200025704644 [0,1,0,1,0,0|0,0,2]=4 11211 B13R2.26 [13CH3]OCc1cc2ccccc2o1 7a_100000233474_200025704644 [0,1,0,1,0,0|0,0,2]=4 11212 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,1,0,0|1,1,0]=4 11213 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,1,0,0|1,1,0]=4 11214 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,1,0,1,0,0|1,0,0]=3 11215 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,1,0,1,0,0|0,0,0]=2 11216 B13R2.444 O=C(Cc1ccccn1)C2CC2 1458a_100000210395_100000721315 [0,1,0,1,0,0|2,0,0]=4 11217 B13R2.444 O=C(Cc1ccccn1)C2CO2 1458a_100000701028_100000721315 [0,1,0,1,0,0|1,0,0]=3 11218 B13R2.444 O=C(Cc1cccnc1)C2CC2 1458a_100000210395_100000733263 [0,1,0,1,0,0|2,0,0]=4 11219 B13R2.444 O=C(Cc1cccnc1)C2CO2 1458a_100000701028_100000733263 [0,1,0,1,0,0|1,0,0]=3 11220 B13R2.444 O=C(Cc1cccnn1)C2CO2 1458a_100000701028_100016990269 [0,1,0,1,0,0|2,0,0]=4 11221 B13R2.444 O=C(Cc1ccncc1)C2CC2 1458a_100000210395_100000705612 [0,1,0,1,0,0|2,0,0]=4 11222 B13R2.444 O=C(Cc1ccncc1)C2CO2 1458a_100000701028_100000705612 [0,1,0,1,0,0|1,0,0]=3 11223 B13R2.444 O=C(Cc1cnccn1)C2CO2 1458a_100000701028_100016995436 [0,1,0,1,0,0|2,0,0]=4 11224 B13R2.444 O=C(Cc1cncnc1)C2CO2 1458a_100000701028_100015196519 [0,1,0,1,0,0|2,0,0]=4 11225 B13R2.444 O=C(Cc1ncccn1)C2CO2 1458a_100000701028_100000703007 [0,1,0,1,0,0|2,0,0]=4 11226 B13R2.444 O=C(Nc1ccccc1)C2CC2 11a_100000106764_100000210395 [0,1,0,1,0,0|2,0,0]=4 11227 B13R2.444 O=C(Nc1ccccc1)C2CC2 1626a_100000106764_100000210395 [0,1,0,1,0,0|2,0,0]=4 11228 B13R2.444 O=C(Nc1ccccc1)C2CC2 22a_100000106764_100000210395 [0,1,0,1,0,0|2,0,0]=4 11229 B13R2.444 O=C(Nc1ccccc1)C2CC2 527a_100000106764_100000210395 [0,1,0,1,0,0|2,0,0]=4 11230 B13R2.444 O=C(Nc1ccccc1)C2CO2 11a_100000106764_100000701028 [0,1,0,1,0,0|1,0,0]=3 11231 B13R2.444 O=C(Nc1ccccc1)C2CO2 1626a_100000106764_100000701028 [0,1,0,1,0,0|1,0,0]=3 11232 B13R2.444 O=C(Nc1ccccc1)C2CO2 22a_100000106764_100000701028 [0,1,0,1,0,0|1,0,0]=3 11233 B13R2.444 O=C(Nc1ccccc1)C2CO2 527a_100000106764_100000701028 [0,1,0,1,0,0|1,0,0]=3 11234 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|0,0,2]=4 11235 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,1,0,0|1,0,1]=4 11236 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,1,0,0|0,1,1]=4 11237 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,1,0,0|0,1,1]=4 11238 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,1,0,0|1,0,1]=4 11239 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,1,0,0|0,1,1]=4 11240 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,1,0,0|0,1,1]=4 11241 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,1,0,1,0,0|2,0,0]=4 11242 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,1,0,1,0,0|2,0,0]=4 11243 B13R2.43 COC1Cc2ccc(cc2C1)Br 34a_100010161096_200000210301 [0,1,0,1,0,0|1,0,1]=4 11244 B13R2.43 [13CH3]OC1Cc2ccc(cc2C1)Br 34a_100010161096_200025704644 [0,1,0,1,0,0|1,0,1]=4 11245 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,1,0,0|2,0,0]=4 11246 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,1,0,0|1,0,0]=3 11247 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,1,0,0|2,0,0]=4 11248 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,1,0,1,0,0|1,0,0]=3 11249 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,1,0,1,0,0|2,0,0]=4 11250 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|2,0,0]=4 11251 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [0,1,0,1,0,0|1,0,0]=3 11252 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [0,1,0,1,0,0|2,0,0]=4 11253 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,1,0,1,0,0|1,0,0]=3 11254 B13R2.54 COC1Cc2cccc(c2C1)Br 34a_100010752598_200000210301 [0,1,0,1,0,0|1,0,1]=4 11255 B13R2.54 [13CH3]OC1Cc2cccc(c2C1)Br 34a_100010752598_200025704644 [0,1,0,1,0,0|1,0,1]=4 11256 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,1,0,1,0,0|1,0,0]=3 11257 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,1,0,1,0,0|2,0,0]=4 11258 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,1,0,1,0,0|2,0,0]=4 11259 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,1,0,1,0,0|1,0,0]=3 11260 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,1,0,0|1,0,0]=3 11261 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,1,0,0|2,0,0]=4 11262 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,1,0,1,0,0|1,0,0]=3 11263 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,1,0,1,0,0|2,0,0]=4 11264 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,1,0,1,0,0|2,0,0]=4 11265 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,1,0,0|2,0,0]=4 11266 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,1,0,0|1,0,0]=3 11267 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,1,0,0|2,0,0]=4 11268 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,1,0,1,0,0|1,0,0]=3 11269 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|1,0,1]=4 11270 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|1,0,1]=4 11271 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|1,0,1]=4 11272 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|1,0,1]=4 11273 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|1,0,1]=4 11274 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|1,0,1]=4 11275 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|1,0,1]=4 11276 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|1,0,1]=4 11277 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|1,0,1]=4 11278 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,1,0|1,0,0]=3 11279 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,1,0|2,0,0]=4 11280 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,1,0|2,0,0]=4 11281 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,1,0|2,0,0]=4 11282 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,1,0|0,0,0]=2 11283 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 11284 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 11285 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 11286 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 11287 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 11288 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 11289 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,1,0|0,0,0]=2 11290 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [1,0,0,0,1,0|2,0,0]=4 11291 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [1,0,0,0,1,0|2,0,0]=4 11292 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|1,0,0]=3 11293 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|1,0,0]=3 11294 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|1,0,0]=3 11295 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,0,0,0,1,0|2,0,0]=4 11296 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,0,0,0,1,0|2,0,0]=4 11297 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,1,0|1,0,0]=3 11298 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,0,0,0,1,0|2,0,0]=4 11299 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,1,0|1,0,0]=3 11300 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,1,0|1,0,0]=3 11301 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,0,0,0,1,0|2,0,0]=4 11302 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,0,0,0,1,0|2,0,0]=4 11303 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,0,0,0,1,0|2,0,0]=4 11304 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,0,0,0,1,0|2,0,0]=4 11305 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,0,0,0,1,0|2,0,0]=4 11306 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,1,0|1,0,0]=3 11307 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [1,0,0,0,1,0|2,0,0]=4 11308 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [1,0,0,0,1,0|2,0,0]=4 11309 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [1,0,0,0,1,0|2,0,0]=4 11310 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|1,0,0]=3 11311 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|1,0,0]=3 11312 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|1,0,0]=3 11313 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,0,0,0,1,0|2,0,0]=4 11314 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,1,0|1,0,0]=3 11315 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,1,0|1,0,0]=3 11316 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,0,0,0,1,0|2,0,0]=4 11317 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,1,0|1,0,0]=3 11318 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [1,0,0,0,1,0|2,0,0]=4 11319 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [1,0,0,0,1,0|2,0,0]=4 11320 B11R0.134 C=CCC(C=C)OCC(=O)OC 34a_100000038011_100000747449 [0,0,1,0,0,1|0,0,2]=4 11321 B11R0.134 C=CCC(C=C)OCC(=O)OC 7a_100000038011_100000747449 [0,0,1,0,0,1|0,0,2]=4 11322 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,0,0,0,0,2|1,0,1]=4 11323 B13R1.718 C#CC(=O)CC#Cc1ccccc1 1458a_100000211873_100011352542 [0,0,0,0,0,2|1,0,1]=4 11324 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,0,0,0,0,2|1,0,1]=4 11325 B13R1.718 C#CC(=O)CCOc1ccccc1 1458a_100000211873_100000184471 [0,0,0,0,0,2|1,0,1]=4 11326 B13R1.718 C#CC(=O)CCSc1ccccc1 1458a_100000211873_100000246102 [0,0,0,0,0,2|1,0,1]=4 11327 B13R1.718 C#CC(=O)CSCc1ccccc1 1458a_100000211873_200011217039 [0,0,0,0,0,2|1,0,1]=4 11328 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,0,0,0,0,2|1,0,1]=4 11329 B13R1.718 C=CC(=O)CC#Cc1ccccc1 1458a_100000185746_100011352542 [0,0,0,0,0,2|1,0,1]=4 11330 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,0,0,0,0,2|1,0,1]=4 11331 B13R1.718 C=CC(=O)CCOc1ccccc1 1458a_100000185746_100000184471 [0,0,0,0,0,2|1,0,1]=4 11332 B13R1.718 C=CC(=O)CCSc1ccccc1 1458a_100000185746_100000246102 [0,0,0,0,0,2|1,0,1]=4 11333 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,0,0,0,0,2|1,0,1]=4 11334 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,0,0,0,0,2|1,0,1]=4 11335 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,0,0,0,0,2|1,0,1]=4 11336 B13R1.718 C=CC(=O)NNCc1ccccc1 22a_100000007032_100000185746 [0,0,0,0,0,2|1,0,1]=4 11337 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,0,0,0,0,2|1,0,1]=4 11338 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,0,0,0,0,2|1,0,1]=4 11339 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,0,0,0,0,2|1,0,0]=3 11340 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,0,0,0,0,2|1,0,0]=3 11341 B13R1.718 CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210202 [0,0,0,0,0,2|1,0,1]=4 11342 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,0,0,0,0,2|1,0,0]=3 11343 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,0,0,0,2|1,0,0]=3 11344 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,0,0,0,2|1,0,0]=3 11345 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,0,0,0,0,2|2,0,0]=4 11346 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,0,0,0,0,2|2,0,0]=4 11347 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,0,0,0,0,2|1,0,0]=3 11348 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,0,0,0,0,2|1,0,0]=3 11349 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,0,0,0,0,2|1,0,0]=3 11350 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,0,0,0,0,2|1,0,0]=3 11351 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,0,0,0,0,2|1,0,0]=3 11352 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,0,0,0,0,2|1,0,0]=3 11353 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,0,0,0,0,2|1,0,0]=3 11354 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [0,0,0,0,0,2|2,0,0]=4 11355 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [0,0,0,0,0,2|2,0,0]=4 11356 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,0,0,0,0,2|1,0,0]=3 11357 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,0,0,0,0,2|1,0,0]=3 11358 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,0,0,0,0,2|1,0,0]=3 11359 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,0,0,0,0,2|1,0,0]=3 11360 B13R1.718 CCC(=O)CSCc1ccccn1 1458a_100000742634_100000210202 [0,0,0,0,0,2|2,0,0]=4 11361 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000721315_100000747405 [0,0,0,0,0,2|2,0,0]=4 11362 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000747405_100000721315 [0,0,0,0,0,2|2,0,0]=4 11363 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000741622_100000747405 [0,0,0,0,0,2|2,0,0]=4 11364 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000747405_100000741622 [0,0,0,0,0,2|2,0,0]=4 11365 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100000747405_100015193705 [0,0,0,0,0,2|2,0,0]=4 11366 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100015193705_100000747405 [0,0,0,0,0,2|2,0,0]=4 11367 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,0,0,0,0,2|1,0,0]=3 11368 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,0,0,0,0,2|1,0,0]=3 11369 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,0,0,0,0,2|1,0,0]=3 11370 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,0,0,0,0,2|1,0,0]=3 11371 B13R1.718 CCC(=O)NCCc1ccccn1 11a_100000211156_100000210414 [0,0,0,0,0,2|2,0,0]=4 11372 B13R1.718 CCC(=O)NCCc1ccccn1 1626a_100000211156_100000210414 [0,0,0,0,0,2|2,0,0]=4 11373 B13R1.718 CCC(=O)NCCc1ccccn1 240690a_100000211156_100000210414 [0,0,0,0,0,2|2,0,0]=4 11374 B13R1.718 CCC(=O)NCCc1ccccn1 527a_100000211156_100000210414 [0,0,0,0,0,2|2,0,0]=4 11375 B13R1.718 CCC(=O)NCCc1cccnc1 11a_100000736294_100000210414 [0,0,0,0,0,2|2,0,0]=4 11376 B13R1.718 CCC(=O)NCCc1cccnc1 1626a_100000736294_100000210414 [0,0,0,0,0,2|2,0,0]=4 11377 B13R1.718 CCC(=O)NCCc1cccnc1 240690a_100000736294_100000210414 [0,0,0,0,0,2|2,0,0]=4 11378 B13R1.718 CCC(=O)NCCc1cccnc1 527a_100000736294_100000210414 [0,0,0,0,0,2|2,0,0]=4 11379 B13R1.718 CCC(=O)NCCc1ccncc1 11a_100000742849_100000210414 [0,0,0,0,0,2|2,0,0]=4 11380 B13R1.718 CCC(=O)NCCc1ccncc1 1626a_100000742849_100000210414 [0,0,0,0,0,2|2,0,0]=4 11381 B13R1.718 CCC(=O)NCCc1ccncc1 240690a_100000742849_100000210414 [0,0,0,0,0,2|2,0,0]=4 11382 B13R1.718 CCC(=O)NCCc1ccncc1 527a_100000742849_100000210414 [0,0,0,0,0,2|2,0,0]=4 11383 B13R1.718 CCC(=O)NN=Cc1ccccc1 4a_100000183195_100015611070 [0,0,0,0,0,2|1,0,1]=4 11384 B13R1.718 CCC(=O)NNCc1ccccc1 22a_100000007032_100000210414 [0,0,0,0,0,2|1,0,0]=3 11385 B13R1.718 CCC(=O)NNCc1ccccn1 22a_100000736832_100000210414 [0,0,0,0,0,2|2,0,0]=4 11386 B13R1.718 CCC(=O)NNCc1cccnc1 22a_100000738295_100000210414 [0,0,0,0,0,2|2,0,0]=4 11387 B13R1.718 CCC(=O)NNCc1ccncc1 22a_100000736929_100000210414 [0,0,0,0,0,2|2,0,0]=4 11388 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,0,0,0,0,2|1,0,0]=3 11389 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,0,0,0,0,2|1,0,0]=3 11390 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,0,0,0,0,2|1,0,0]=3 11391 B13R1.718 CNC(=O)C=CSc1ccccc1 11a_106832991635_100016262050 [0,0,0,0,0,2|1,0,1]=4 11392 B13R1.718 CNC(=O)C=CSc1ccccc1 1626a_100102657272_100016262050 [0,0,0,0,0,2|1,0,1]=4 11393 B13R1.718 CNC(=O)C=CSc1ccccc1 240690a_100102657272_100016262050 [0,0,0,0,0,2|1,0,1]=4 11394 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,0,0,0,2|1,0,0]=3 11395 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,0,0,0,2|1,0,0]=3 11396 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,0,0,0,2|1,0,0]=3 11397 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,0,0,0,2|1,0,0]=3 11398 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,0,0,0,0,2|2,0,0]=4 11399 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,0,0,0,0,2|2,0,0]=4 11400 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,0,0,0,0,2|2,0,0]=4 11401 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,0,0,0,0,2|2,0,0]=4 11402 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [0,0,0,0,0,2|2,0,0]=4 11403 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [0,0,0,0,0,2|2,0,0]=4 11404 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [0,0,0,0,0,2|2,0,0]=4 11405 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [0,0,0,0,0,2|2,0,0]=4 11406 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,0,0,0,0,2|1,0,0]=3 11407 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,0,0,0,0,2|1,0,0]=3 11408 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,0,0,0,0,2|1,0,0]=3 11409 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,0,0,0,0,2|1,0,0]=3 11410 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,0,0,0,0,2|1,0,0]=3 11411 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,0,0,0,0,2|1,0,0]=3 11412 B13R1.718 CNC(=O)CCOc1cccnc1 34a_100000210849_100012179268 [0,0,0,0,0,2|2,0,0]=4 11413 B13R1.718 CNC(=O)CCOc1cccnc1 7a_100000210849_100000737683 [0,0,0,0,0,2|2,0,0]=4 11414 B13R1.718 CNC(=O)CCOc1ccncc1 34a_100000212176_100012179268 [0,0,0,0,0,2|2,0,0]=4 11415 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,0,0,0,0,2|1,0,0]=3 11416 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,0,0,0,0,2|1,0,0]=3 11417 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,0,0,0,0,2|1,0,0]=3 11418 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,0,0,0,0,2|1,0,0]=3 11419 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,0,0,0,0,2|1,0,0]=3 11420 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100000737683_100011216584 [0,0,0,0,0,2|2,0,0]=4 11421 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100011216584_100000737683 [0,0,0,0,0,2|2,0,0]=4 11422 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000210063_100000737683 [0,0,0,0,0,2|2,0,0]=4 11423 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000737683_100000210063 [0,0,0,0,0,2|2,0,0]=4 11424 B13R1.718 CNC(=O)CCSc1ccncc1 62a_100000728582_100000737683 [0,0,0,0,0,2|2,0,0]=4 11425 B13R1.718 CNC(=O)CCSc1ccncc1 62a_100000737683_100000728582 [0,0,0,0,0,2|2,0,0]=4 11426 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,0,0,0,0,2|1,0,0]=3 11427 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,0,0,0,0,2|1,0,0]=3 11428 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,0,0,0,0,2|1,0,0]=3 11429 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,0,0,0,0,2|1,0,0]=3 11430 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,0,0,0,0,2|1,0,0]=3 11431 B13R1.718 CNC(=O)CNCc1ccccn1 207a_100000693194_100000209966 [0,0,0,0,0,2|2,0,0]=4 11432 B13R1.718 CNC(=O)CNCc1ccccn1 2230a_100000693194_100000721315 [0,0,0,0,0,2|2,0,0]=4 11433 B13R1.718 CNC(=O)CNCc1ccccn1 270004a_100000693194_100000209966 [0,0,0,0,0,2|2,0,0]=4 11434 B13R1.718 CNC(=O)CNCc1cccnc1 207a_100000693194_100000209961 [0,0,0,0,0,2|2,0,0]=4 11435 B13R1.718 CNC(=O)CNCc1cccnc1 2230a_100000693194_100000741622 [0,0,0,0,0,2|2,0,0]=4 11436 B13R1.718 CNC(=O)CNCc1cccnc1 270004a_100000693194_100000209961 [0,0,0,0,0,2|2,0,0]=4 11437 B13R1.718 CNC(=O)CNCc1ccncc1 207a_100000693194_100000186114 [0,0,0,0,0,2|2,0,0]=4 11438 B13R1.718 CNC(=O)CNCc1ccncc1 2230a_100000693194_100015193705 [0,0,0,0,0,2|2,0,0]=4 11439 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,0,0,0,0,2|1,0,0]=3 11440 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,0,0,0,0,2|1,0,0]=3 11441 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,0,0,0,0,2|1,0,0]=3 11442 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,0,0,0,0,2|1,0,0]=3 11443 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,0,0,0,0,2|1,0,0]=3 11444 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,0,0,0,0,2|1,0,0]=3 11445 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,0,0,0,0,2|1,0,0]=3 11446 B13R1.718 CNC(=O)COCc1ccccn1 34a_100000750040_100000721315 [0,0,0,0,0,2|2,0,0]=4 11447 B13R1.718 CNC(=O)COCc1cccnc1 34a_100000750040_100000733263 [0,0,0,0,0,2|2,0,0]=4 11448 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,0,0,0,0,2|1,0,0]=3 11449 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,0,0,0,0,2|1,0,0]=3 11450 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,0,0,0,0,2|1,0,0]=3 11451 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,0,0,0,0,2|1,0,0]=3 11452 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,0,0,0,0,2|1,0,0]=3 11453 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,0,0,0,0,2|1,0,0]=3 11454 B13R1.718 CNC(=O)CSCc1ccccn1 11a_106832991635_100000742634 [0,0,0,0,0,2|2,0,0]=4 11455 B13R1.718 CNC(=O)CSCc1ccccn1 1626a_100102657272_100000742634 [0,0,0,0,0,2|2,0,0]=4 11456 B13R1.718 CNC(=O)CSCc1ccccn1 240690a_100102657272_100000742634 [0,0,0,0,0,2|2,0,0]=4 11457 B13R1.718 CNC(=O)CSCc1ccccn1 527a_100102657272_100000742634 [0,0,0,0,0,2|2,0,0]=4 11458 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000183359_100000721315 [0,0,0,0,0,2|2,0,0]=4 11459 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000721315_100000183359 [0,0,0,0,0,2|2,0,0]=4 11460 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000183359_100000741622 [0,0,0,0,0,2|2,0,0]=4 11461 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000741622_100000183359 [0,0,0,0,0,2|2,0,0]=4 11462 B13R1.718 CNC(=O)CSCc1ccncc1 1626a_100102657272_100000742635 [0,0,0,0,0,2|2,0,0]=4 11463 B13R1.718 CNC(=O)CSCc1ccncc1 240690a_100102657272_100000742635 [0,0,0,0,0,2|2,0,0]=4 11464 B13R1.718 CNC(=O)CSCc1ccncc1 527a_100102657272_100000742635 [0,0,0,0,0,2|2,0,0]=4 11465 B13R1.718 CNC(=O)CSCc1ccncc1 62a_100000183359_100015193705 [0,0,0,0,0,2|2,0,0]=4 11466 B13R1.718 CNC(=O)CSCc1ccncc1 62a_100015193705_100000183359 [0,0,0,0,0,2|2,0,0]=4 11467 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,0,0,0,2|1,0,0]=3 11468 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,0,0,0,2|1,0,0]=3 11469 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,0,0,0,2|1,0,0]=3 11470 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,0,0,0,2|1,0,0]=3 11471 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,0,0,0,2|1,0,0]=3 11472 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,0,0,0,2|1,0,0]=3 11473 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100000211156_106832991635 [0,0,0,0,0,2|2,0,0]=4 11474 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100102657272_100000211156 [0,0,0,0,0,2|2,0,0]=4 11475 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100000211156_100102657272 [0,0,0,0,0,2|2,0,0]=4 11476 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100102657272_100000211156 [0,0,0,0,0,2|2,0,0]=4 11477 B13R1.718 CNC(=O)NCCc1ccccn1 512a_106832991638_100000211156 [0,0,0,0,0,2|2,0,0]=4 11478 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100000736294_106832991635 [0,0,0,0,0,2|2,0,0]=4 11479 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100102657272_100000736294 [0,0,0,0,0,2|2,0,0]=4 11480 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100000736294_100102657272 [0,0,0,0,0,2|2,0,0]=4 11481 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100102657272_100000736294 [0,0,0,0,0,2|2,0,0]=4 11482 B13R1.718 CNC(=O)NCCc1cccnc1 512a_100000736294_100102657272 [0,0,0,0,0,2|2,0,0]=4 11483 B13R1.718 CNC(=O)NCCc1cccnc1 512a_106832991638_100000736294 [0,0,0,0,0,2|2,0,0]=4 11484 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100000742849_106832991635 [0,0,0,0,0,2|2,0,0]=4 11485 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100102657272_100000742849 [0,0,0,0,0,2|2,0,0]=4 11486 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100000742849_100102657272 [0,0,0,0,0,2|2,0,0]=4 11487 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100102657272_100000742849 [0,0,0,0,0,2|2,0,0]=4 11488 B13R1.718 CNC(=O)NCCc1ccncc1 512a_106832991638_100000742849 [0,0,0,0,0,2|2,0,0]=4 11489 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [0,0,0,0,0,2|1,0,0]=3 11490 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [0,0,0,0,0,2|1,0,0]=3 11491 B13R1.718 CNC(=O)NNCc1ccccn1 273464a_100102657272_100000736832 [0,0,0,0,0,2|2,0,0]=4 11492 B13R1.718 CNC(=O)NNCc1ccccn1 512a_106832991638_100000736832 [0,0,0,0,0,2|2,0,0]=4 11493 B13R1.718 CNC(=O)NNCc1cccnc1 273464a_100102657272_100000738295 [0,0,0,0,0,2|2,0,0]=4 11494 B13R1.718 CNC(=O)NNCc1cccnc1 512a_100000738295_100102657272 [0,0,0,0,0,2|2,0,0]=4 11495 B13R1.718 CNC(=O)NNCc1cccnc1 512a_106832991638_100000738295 [0,0,0,0,0,2|2,0,0]=4 11496 B13R1.718 CNC(=O)NNCc1ccncc1 273464a_100102657272_100000736929 [0,0,0,0,0,2|2,0,0]=4 11497 B13R1.718 CNC(=O)NNCc1ccncc1 512a_106832991638_100000736929 [0,0,0,0,0,2|2,0,0]=4 11498 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,0,0,0,0,2|0,0,1]=3 11499 B13R1.718 COC(=O)C=NNc1ccccn1 4a_100000183288_200011823558 [0,0,0,0,0,2|1,0,1]=4 11500 B13R1.718 COC(=O)C=NNc1cccnc1 4a_100000728903_200011823558 [0,0,0,0,0,2|1,0,1]=4 11501 B13R1.718 COC(=O)C=NNc1ccncc1 4a_100000698918_200011823558 [0,0,0,0,0,2|1,0,1]=4 11502 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,0,0,0,0,2|0,0,0]=2 11503 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,0,0,0,0,2|0,0,0]=2 11504 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,0,0,0,0,2|0,0,0]=2 11505 B13R1.718 COC(=O)CCOc1cccnc1 34a_100000210849_100000742370 [0,0,0,0,0,2|1,0,0]=3 11506 B13R1.718 COC(=O)CCOc1cccnc1 7a_100000210849_100000204255 [0,0,0,0,0,2|1,0,0]=3 11507 B13R1.718 COC(=O)CCOc1ccncc1 34a_100000212176_100000742370 [0,0,0,0,0,2|1,0,0]=3 11508 B13R1.718 COC(=O)CCOc1ccnnc1 34a_100015204005_100000742370 [0,0,0,0,0,2|2,0,0]=4 11509 B13R1.718 COC(=O)CCOc1cncnc1 7a_100000754086_100000204255 [0,0,0,0,0,2|2,0,0]=4 11510 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,0,0,0,0,2|0,0,0]=2 11511 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,0,0,0,0,2|0,0,0]=2 11512 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,0,0,0,0,2|1,0,0]=3 11513 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,0,0,0,0,2|1,0,0]=3 11514 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,0,0,0,0,2|1,0,0]=3 11515 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,0,0,0,0,2|1,0,0]=3 11516 B13R1.718 COC(=O)CCSc1cccnn1 62a_100000204255_100016991348 [0,0,0,0,0,2|2,0,0]=4 11517 B13R1.718 COC(=O)CCSc1cccnn1 62a_100016991348_100000204255 [0,0,0,0,0,2|2,0,0]=4 11518 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000204255_100000728582 [0,0,0,0,0,2|1,0,0]=3 11519 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000728582_100000204255 [0,0,0,0,0,2|1,0,0]=3 11520 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000204255_100000703185 [0,0,0,0,0,2|2,0,0]=4 11521 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000703185_100000204255 [0,0,0,0,0,2|2,0,0]=4 11522 B13R1.718 COC(=O)CCSc1ccnnc1 62a_100000204255_100000732662 [0,0,0,0,0,2|2,0,0]=4 11523 B13R1.718 COC(=O)CCSc1ccnnc1 62a_100000732662_100000204255 [0,0,0,0,0,2|2,0,0]=4 11524 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000204255_100000211759 [0,0,0,0,0,2|2,0,0]=4 11525 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000211759_100000204255 [0,0,0,0,0,2|2,0,0]=4 11526 B13R1.718 COC(=O)CCSc1cncnc1 62a_100000204255_100011206942 [0,0,0,0,0,2|2,0,0]=4 11527 B13R1.718 COC(=O)CCSc1cncnc1 62a_100011206942_100000204255 [0,0,0,0,0,2|2,0,0]=4 11528 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000204255_100000211032 [0,0,0,0,0,2|2,0,0]=4 11529 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000211032_100000204255 [0,0,0,0,0,2|2,0,0]=4 11530 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,0,0,0,0,2|0,0,0]=2 11531 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,0,0,0,0,2|0,0,0]=2 11532 B13R1.718 COC(=O)CNCc1cccnn1 2230a_100159270163_100000747449 [0,0,0,0,0,2|2,0,0]=4 11533 B13R1.718 COC(=O)CNCc1cncnc1 2230a_100011243677_100000747449 [0,0,0,0,0,2|2,0,0]=4 11534 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,0,0,0,0,2|0,0,0]=2 11535 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,0,0,0,0,2|0,0,0]=2 11536 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,0,0,0,0,2|0,0,0]=2 11537 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,0,0,0,0,2|0,0,0]=2 11538 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,0,0,0,0,2|1,0,0]=3 11539 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,0,0,0,0,2|1,0,0]=3 11540 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,0,0,0,0,2|1,0,0]=3 11541 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,0,0,0,0,2|1,0,0]=3 11542 B13R1.718 COC(=O)CSCc1cccnn1 62a_100000747449_100016990269 [0,0,0,0,0,2|2,0,0]=4 11543 B13R1.718 COC(=O)CSCc1cccnn1 62a_100016990269_100000747449 [0,0,0,0,0,2|2,0,0]=4 11544 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,0,0,0,0,2|1,0,0]=3 11545 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,0,0,0,0,2|1,0,0]=3 11546 B13R1.718 COC(=O)CSCc1cnccn1 62a_100000747449_100016995436 [0,0,0,0,0,2|2,0,0]=4 11547 B13R1.718 COC(=O)CSCc1cnccn1 62a_100016995436_100000747449 [0,0,0,0,0,2|2,0,0]=4 11548 B13R1.718 COC(=O)CSCc1cncnc1 62a_100000747449_100015196519 [0,0,0,0,0,2|2,0,0]=4 11549 B13R1.718 COC(=O)CSCc1cncnc1 62a_100015196519_100000747449 [0,0,0,0,0,2|2,0,0]=4 11550 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000703007_100000747449 [0,0,0,0,0,2|2,0,0]=4 11551 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000747449_100000703007 [0,0,0,0,0,2|2,0,0]=4 11552 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,0,0,0,0,2|0,0,0]=2 11553 B13R1.718 COC(=O)OCSc1ccccn1 62a_100011216584_100000139417 [0,0,0,0,0,2|1,0,0]=3 11554 B13R1.718 COC(=O)OCSc1cccnc1 62a_100000210063_100000139417 [0,0,0,0,0,2|1,0,0]=3 11555 B13R1.718 COC(=O)OCSc1cccnn1 62a_100016991348_100000139417 [0,0,0,0,0,2|2,0,0]=4 11556 B13R1.718 COC(=O)OCSc1ccncc1 62a_100000728582_100000139417 [0,0,0,0,0,2|1,0,0]=3 11557 B13R1.718 COC(=O)OCSc1ccncn1 62a_100000703185_100000139417 [0,0,0,0,0,2|2,0,0]=4 11558 B13R1.718 COC(=O)OCSc1ccnnc1 62a_100000732662_100000139417 [0,0,0,0,0,2|2,0,0]=4 11559 B13R1.718 COC(=O)OCSc1cnccn1 62a_100000211759_100000139417 [0,0,0,0,0,2|2,0,0]=4 11560 B13R1.718 COC(=O)OCSc1cncnc1 62a_100011206942_100000139417 [0,0,0,0,0,2|2,0,0]=4 11561 B13R1.718 COC(=O)OCSc1ncccn1 62a_100000211032_100000139417 [0,0,0,0,0,2|2,0,0]=4 11562 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,0,0,0,0,2|1,0,1]=4 11563 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,0,0,0,0,2|1,0,1]=4 11564 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,0,0,0,0,2|1,0,1]=4 11565 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,0,0,0,0,2|1,0,1]=4 11566 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,0,0,0,0,2|1,0,1]=4 11567 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,0,0,0,0,2|1,0,1]=4 11568 B13R1.718 COC(C)SCSc1ccccc1 62a_100009879195_100011218342 [0,0,0,0,0,2|1,0,1]=4 11569 B13R1.718 COC(C)SCSc1ccccc1 62a_100011218342_100009879195 [0,0,0,0,0,2|1,0,1]=4 11570 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,0,0,0,0,2|1,0,1]=4 11571 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,0,0,0,0,2|1,0,1]=4 11572 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,0,0,0,0,2|1,0,1]=4 11573 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,0,0,0,0,2|2,0,0]=4 11574 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,0,0,0,0,2|2,0,0]=4 11575 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,0,0,0,0,2|2,0,0]=4 11576 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,0,0,0,0,2|2,0,0]=4 11577 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,0,0,0,0,2|2,0,0]=4 11578 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,0,0,0,0,2|2,0,0]=4 11579 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,0,0,0,0,2|2,0,0]=4 11580 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,0,0,0,0,2|2,0,0]=4 11581 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,0,0,0,0,2|2,0,0]=4 11582 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,0,0,0,0,2|2,0,0]=4 11583 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,0,0,0,0,2|2,0,0]=4 11584 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,0,0,0,0,2|2,0,0]=4 11585 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,0,0,0,0,2|2,0,0]=4 11586 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,0,0,0,0,2|2,0,0]=4 11587 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,0,0,0,0,2|2,0,0]=4